| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 81.1 | Confident | 78.6 | Confident | 119 Ų | 119 | 83.3 Ų | 83.3 | 59% | 0.586 | 45% | 0.446 | S | S | * | . | 0 | 138 | 0 | -62.9 | 163.5 | 171.9 | 0 | 0 | 107.6 | N11 V12 L14 W109 | M1-N11 CarbonylContact O-C 3.5Å; M1-N11 VanDerWaalsContact O-CA 3.3Å; M1-N11 WeakPolarHBondContact O-CA 3.48Å; M1-V12 HydrophobicContact CB-CB 4.28Å; M1-V12 PolarHBondContact N-O 2.84Å; M1-V12 PolarHBondContact O-N 2.75Å; M1-L14 HydrophobicContact CE-CD1 3.51Å; M1-L14 HydrophobicContact CG-CD1 4.05Å; M1-L14 HydrophobicContact SD-CD1 3.66Å; M1-W109 HydrophobicContact CB-CH2 4.19Å; M1-W109 HydrophobicContact CB-CZ2 3.99Å; M1-W109 HydrophobicContact CG-CH2 4.26Å; M1-W109 HydrophobicContact CG-CZ2 4.45Å; M1-W109 HydrophobicContact SD-CH2 3.65Å; M1-W109 HydrophobicContact SD-CZ2 4.38Å | |||
| 2 | L | 84.6 | Confident | 79.3 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144 | -176.4 | -76.1 | 156.8 | 0 | 0 | 0 | 108.6 | N11 | L2-N11 HydrophobicContact CD2-CB 3.89Å |
| 3 | F | 85.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 79.2 Ų | 79.2 | 1% | 0.013 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 149.1 | 175.5 | 75.7 | -91.5 | 0 | 0 | 0 | 108.6 | N10 F101 D104 M105 E108 | F3-N10 HydrophobicContact CD1-CB 3.92Å; F3-N10 HydrophobicContact CD2-CB 4Å; F3-N10 HydrophobicContact CE1-CB 3.53Å; F3-N10 HydrophobicContact CE2-CB 3.6Å; F3-N10 HydrophobicContact CG-CB 4.15Å; F3-N10 HydrophobicContact CZ-CB 3.36Å; F3-N10 PolarHBondContact N-O 3.48Å; F3-N10 PolarHBondContact O-N 3.17Å; F3-N10 VanDerWaalsContact O-O 3.13Å; F3-F101 HydrophobicContact CE1-CD1 4.44Å; F3-F101 HydrophobicContact CE1-CD2 4.33Å; F3-F101 AromaticContact CE1-CE1 3.76Å; F3-F101 HydrophobicContact CE1-CE1 3.76Å; F3-F101 AromaticContact CE1-CE2 3.65Å; F3-F101 HydrophobicContact CE1-CE2 3.65Å; F3-F101 AromaticContact CE1-CZ 3.33Å; F3-F101 HydrophobicContact CE1-CZ 3.33Å; F3-F101 HydrophobicContact CZ-CD1 4.19Å; F3-F101 AromaticContact CZ-CD2 3.69Å; F3-F101 HydrophobicContact CZ-CD2 3.69Å; F3-F101 AromaticContact CZ-CE1 3.94Å; F3-F101 HydrophobicContact CZ-CE1 3.94Å; F3-F101 AromaticContact CZ-CE2 3.42Å; F3-F101 HydrophobicContact CZ-CE2 3.42Å; F3-F101 VanDerWaalsContact CZ-CE2 3.42Å; F3-F101 HydrophobicContact CZ-CG 4.07Å; F3-F101 AromaticContact CZ-CZ 3.57Å; F3-F101 HydrophobicContact CZ-CZ 3.57Å; F3-D104 HydrophobicContact CE2-CB 3.87Å; F3-M105 HydrophobicContact CD1-CB 4.09Å; F3-M105 HydrophobicContact CD1-CG 3.99Å; F3-M105 HydrophobicContact CD2-CB 4.26Å; F3-M105 HydrophobicContact CE1-CB 3.94Å; F3-M105 HydrophobicContact CE1-CG 4.19Å; F3-M105 HydrophobicContact CE2-CB 4.15Å; F3-M105 HydrophobicContact CG-CB 4.22Å; F3-M105 HydrophobicContact CG-CG 4.3Å; F3-M105 HydrophobicContact CZ-CB 3.96Å; F3-E108 VanDerWaalsContact C-OE2 3.27Å; F3-E108 WeakPolarHBondContact CA-OE1 3.35Å; F3-E108 VanDerWaalsContact CA-OE2 3.31Å; F3-E108 WeakPolarHBondContact CA-OE2 3.41Å; F3-E108 WeakPolarHBondContact CB-OE2 3.34Å |
| 4 | M | 79.2 | Confident | 80.7 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.3 | -174.5 | -73 | -83 | -74.1 | 0 | 0 | 111 | P9 E108 | M4-P9 HydrophobicContact SD-CB 3.8Å; M4-E108 PolarHBondContact N-OE1 2.63Å; M4-E108 PolarHBondContact N-OE2 3.29Å |
| 5 | K | 68.5 | Low | 81.4 | Confident | 42 Ų | 42 | 78.3 Ų | 78.3 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.8 | 169.2 | 178.7 | 170.9 | 173 | 179.4 | 0 | 110.4 | D7 V8 D104 | K5-D7 PolarHBondContact O-N 3.39Å; K5-V8 PolarHBondContact N-O 2.76Å; K5-V8 VanDerWaalsContact N-O 3.11Å; K5-V8 WeakPolarHBondContact O-CB 3.41Å; K5-V8 PolarHBondContact O-N 2.65Å; K5-D104 HydrophobicContact CD-CB 3.77Å; K5-D104 WeakPolarHBondContact CD-OD2 3.45Å; K5-D104 WeakPolarHBondContact CE-OD2 3.48Å; K5-D104 IonicContact NZ-OD1 2.77Å; K5-D104 PolarHBondContact NZ-OD1 3.25Å; K5-D104 IonicContact NZ-OD2 2.95Å; K5-D104 PolarHBondContact NZ-OD2 3.31Å |
| 6 | N | 64.9 | Low | 82 | Confident | 126 Ų | 126 | 78.5 Ų | 78.5 | 67% | 0.674 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 44.9 | -179.3 | -58.1 | -15.9 | 0 | 0 | 0 | 112.3 | V8 | N6-V8 PolarHBondContact O-N 3.17Å; N6-V8 VanDerWaalsContact O-N 3.12Å |
| 7 | D | 70.4 | Confident | 82.5 | Confident | 148 Ų | 148 | 75.9 Ų | 75.9 | 79% | 0.791 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 12.2 | -175.9 | -56.7 | -37.6 | 0 | 0 | 0 | 116 | K5 | K5-D7 PolarHBondContact O-N 3.39Š|
| 8 | V | 75.3 | Confident | 82.7 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.5 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 110 | K5 N6 N10 | K5-V8 PolarHBondContact N-O 2.76Å; K5-V8 VanDerWaalsContact N-O 3.11Å; K5-V8 WeakPolarHBondContact O-CB 3.41Å; K5-V8 PolarHBondContact O-N 2.65Å; N6-V8 PolarHBondContact O-N 3.17Å; N6-V8 VanDerWaalsContact O-N 3.12Å; V8-N10 PolarHBondContact O-N 3.13Å |
| 9 | P | 81.8 | Confident | 82.9 | Confident | 88 Ų | 88 | 81.9 Ų | 81.9 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.8 | 177.6 | 28.7 | -32.7 | 0 | 0 | 0 | 111.3 | M4 | M4-P9 HydrophobicContact SD-CB 3.8Å |
| 10 | N | 85.8 | Confident | 83.4 | Confident | 32 Ų | 32 | 79.7 Ų | 79.7 | 17% | 0.171 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 152.8 | 171.9 | -75.3 | -41.5 | 0 | 0 | 0 | 111 | F3 V8 S51 F101 | F3-N10 HydrophobicContact CD1-CB 3.92Å; F3-N10 HydrophobicContact CD2-CB 4Å; F3-N10 HydrophobicContact CE1-CB 3.53Å; F3-N10 HydrophobicContact CE2-CB 3.6Å; F3-N10 HydrophobicContact CG-CB 4.15Å; F3-N10 HydrophobicContact CZ-CB 3.36Å; F3-N10 PolarHBondContact N-O 3.48Å; F3-N10 PolarHBondContact O-N 3.17Å; F3-N10 VanDerWaalsContact O-O 3.13Å; V8-N10 PolarHBondContact O-N 3.13Å; N10-S51 PolarHBondContact OD1-OG 3.34Å; N10-F101 HydrophobicContact CB-CE2 3.88Å |
| 11 | N | 87.6 | Confident | 83.8 | Confident | 46 Ų | 46 | 79.9 Ų | 79.9 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151.1 | -178.7 | 70.4 | 31 | 0 | 0 | 0 | 114.7 | M1 L2 H13 T50 S51 F101 | M1-N11 CarbonylContact O-C 3.5Å; M1-N11 VanDerWaalsContact O-CA 3.3Å; M1-N11 WeakPolarHBondContact O-CA 3.48Å; L2-N11 HydrophobicContact CD2-CB 3.89Å; N11-H13 PolarHBondContact ND2-NE2 2.92Å; N11-H13 PolarHBondContact OD1-CD2 2.99Å; N11-H13 PolarHBondContact OD1-NE2 2.77Å; N11-T50 CarbonylContact O-C 3.46Å; N11-S51 PolarHBondContact N-OG 2.91Å; N11-S51 VanDerWaalsContact N-OG 3.11Å; N11-S51 PolarHBondContact O-N 3.33Å; N11-S51 PolarHBondContact O-OG 3.46Å; N11-S51 WeakPolarHBondContact OD1-CB 3.19Å; N11-F101 WeakPolarHBondContact O-CZ 3.07Å |
| 12 | V | 87.1 | Confident | 84.3 | Confident | 15 Ų | 15 | 80.3 Ų | 80.3 | 9% | 0.091 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | M1 V48 L49 F101 M105 | M1-V12 HydrophobicContact CB-CB 4.28Å; M1-V12 PolarHBondContact N-O 2.84Å; M1-V12 PolarHBondContact O-N 2.75Å; V12-V48 HydrophobicContact CG1-CG1 3.47Å; V12-V48 VanDerWaalsContact CG1-CG1 3.47Å; V12-L49 CarbonylContact C-O 3.46Å; V12-L49 WeakPolarHBondContact CA-O 3.32Å; V12-F101 HydrophobicContact CG2-CE1 3.55Å; V12-F101 HydrophobicContact CG2-CZ 3.77Å; V12-M105 HydrophobicContact CG2-SD 4.28Å |
| 13 | H | 89.6 | Confident | 84.6 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.3 | 175 | -67.8 | -80.7 | 0 | 0 | 0 | 110 | N11 V48 L49 | N11-H13 PolarHBondContact ND2-NE2 2.92Å; N11-H13 PolarHBondContact OD1-CD2 2.99Å; N11-H13 PolarHBondContact OD1-NE2 2.77Å; H13-V48 WeakPolarHBondContact O-CA 3.47Å; H13-L49 HydrophobicContact CB-CB 4.22Å; H13-L49 PolarHBondContact N-O 3.1Å; H13-L49 PolarHBondContact O-N 2.82Å |
| 14 | L | 88.8 | Confident | 84.8 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 34% | 0.34 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112.9 | 179.1 | -74.9 | 143.3 | 0 | 0 | 0 | 108.3 | M1 I46 V48 | M1-L14 HydrophobicContact CE-CD1 3.51Å; M1-L14 HydrophobicContact CG-CD1 4.05Å; M1-L14 HydrophobicContact SD-CD1 3.66Å; L14-I46 HydrophobicContact CD2-CD1 3.87Å; L14-I46 HydrophobicContact CD2-CG1 4.38Å; L14-V48 HydrophobicContact CD2-CG1 4.32Å; L14-V48 HydrophobicContact CD2-CG2 3.56Å; L14-V48 HydrophobicContact CG-CG2 4.48Å |
| 15 | N | 90.7 | Very high | 85.2 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.2 | 172 | -66.1 | -26.4 | 0 | 0 | 0 | 108.7 | I46 E47 | N15-I46 WeakPolarHBondContact O-CA 3.45Å; N15-E47 HydrophobicContact CB-CB 4.22Å; N15-E47 PolarHBondContact N-O 2.93Å; N15-E47 PolarHBondContact ND2-OE2 2.83Å; N15-E47 PolarHBondContact O-N 2.93Å |
| 16 | I | 90.5 | Very high | 86.1 | Confident | 81 Ų | 81 | 84.7 Ų | 84.7 | 42% | 0.415 | 47% | 0.474 | S | S | . | . | trans | -134.4 | 133.9 | -175.1 | -61 | 164.7 | 0 | 0 | 0 | 108.7 | S20 L43 I46 | I16-S20 WeakPolarHBondContact CG2-OG 3.32Å; I16-L43 HydrophobicContact CD1-CD1 4.19Å; I16-L43 HydrophobicContact CD1-CD2 4.16Å; I16-L43 HydrophobicContact CG2-CB 4.35Å; I16-L43 HydrophobicContact CG2-CD2 4.26Å; I16-I46 HydrophobicContact CG1-CG1 4.36Å | ||
| 17 | A | 90.4 | Very high | 86.8 | Confident | 34 Ų | 34 | 80.8 Ų | 80.8 | 28% | 0.281 | 46% | 0.456 | S | S | . | . | trans | -77.4 | 158 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S20 L44 E45 | A17-S20 PolarHBondContact O-OG 2.91Å; A17-L44 HydrophobicContact CB-CB 4.42Å; A17-L44 WeakPolarHBondContact CB-O 3.28Å; A17-L44 PolarHBondContact N-O 2.89Å; A17-E45 HydrophobicContact CB-CB 3.87Å; A17-E45 HydrophobicContact CB-CG 4.39Å | ||
| 18 | K | 87.4 | Confident | 87.2 | Confident | 212 Ų | 212 | 83.9 Ų | 83.9 | 92% | 0.922 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 134.6 | 175.7 | -174.5 | 179.8 | -179.9 | 179.8 | 0 | 110.4 | ||
| 19 | G | 86.9 | Confident | 87.3 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.5 | -2.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 20 | S | 91.3 | Very high | 86.9 | Confident | 36 Ų | 36 | 85 Ų | 85 | 25% | 0.252 | 47% | 0.468 | S | S | . | . | trans | -70.3 | 143.9 | 172.4 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | I16 A17 K42 L44 | I16-S20 WeakPolarHBondContact CG2-OG 3.32Å; A17-S20 PolarHBondContact O-OG 2.91Å; S20-K42 CarbonylContact C-O 3.55Å; S20-K42 WeakPolarHBondContact CA-O 3.38Å; S20-K42 WeakPolarHBondContact CB-O 3.22Å; S20-L44 PolarHBondContact OG-N 3.49Å | ||
| 21 | T | 92.8 | Very high | 86.3 | Confident | 84 Ų | 84 | 90.8 Ų | 90.8 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.6 | -175.6 | 56 | 0 | 0 | 0 | 0 | 111.4 | C41 K42 | T21-C41 CarbonylContact O-C 3.57Å; T21-C41 WeakPolarHBondContact O-CA 2.85Å; T21-K42 PolarHBondContact N-O 3.2Å; T21-K42 PolarHBondContact O-N 2.79Å |
| 22 | I | 91.4 | Very high | 85.5 | Confident | 128 Ų | 128 | 93 Ų | 93 | 66% | 0.656 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.3 | 174.1 | -60.8 | 174.7 | 0 | 0 | 0 | 107.5 | C41 | I22-C41 HydrophobicContact CG1-CB 4.35Å |
| 23 | Q | 91.6 | Very high | 84.5 | Confident | 129 Ų | 129 | 98.7 Ų | 98.7 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.8 | 176.8 | -177.9 | 177.1 | -3.7 | 0 | 0 | 108.8 | V39 S40 | Q23-V39 CarbonylContact O-C 3.55Å; Q23-V39 WeakPolarHBondContact O-CA 3.32Å; Q23-S40 PolarHBondContact N-O 3.19Å; Q23-S40 PolarHBondContact O-N 2.86Å |
| 24 | A | 89.7 | Confident | 83.6 | Confident | 59 Ų | 59 | 98.1 Ų | 98.1 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | V39 | A24-V39 HydrophobicContact CB-CG2 4.1Å |
| 25 | V | 87 | Confident | 83.1 | Confident | 72 Ų | 72 | 99.7 Ų | 99.7 | 44% | 0.436 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 106.7 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 107.3 | R38 | V25-R38 PolarHBondContact N-O 2.79Å; V25-R38 PolarHBondContact O-N 2.91Å |
| 26 | L | 86.2 | Confident | 82.8 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | trans | -114.5 | 94.1 | 179.4 | -62.5 | 168.6 | 0 | 0 | 0 | 107.8 | F28 N37 | L26-F28 PolarHBondContact O-N 3.46Å; L26-N37 HydrophobicContact CD2-CB 4.06Å | ||
| 27 | P | 80 | Confident | 82.7 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 29% | 0.292 | 53% | 0.531 | S | S | . | . | trans | -69.5 | 125.5 | -178.4 | 26.1 | -31.9 | 0 | 0 | 0 | 111 | V29 W35 Q36 N37 | P27-V29 VanDerWaalsContact C-N 3.31Å; P27-W35 PolarHBondContact O-NE1 2.86Å; P27-Q36 WeakPolarHBondContact CD-O 3.44Å; P27-Q36 WeakPolarHBondContact CG-O 3.34Å; P27-N37 WeakPolarHBondContact CD-OD1 3.33Å | ||
| 28 | F | 79.6 | Confident | 82.6 | Confident | 212 Ų | 212 | 100.5 Ų | 100.5 | 93% | 0.93 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -78.6 | -15.5 | 172.9 | -74.3 | -88.2 | 0 | 0 | 0 | 113 | L26 | L26-F28 PolarHBondContact O-N 3.46Š|
| 29 | V | 77.4 | Confident | 82.9 | Confident | 120 Ų | 120 | 92.3 Ų | 92.3 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -111.4 | 130.7 | 179.4 | -177 | 0 | 0 | 0 | 0 | 108.5 | P27 | P27-V29 VanDerWaalsContact C-N 3.31Š|
| 30 | V | 72.7 | Confident | 83.1 | Confident | 74 Ų | 74 | 91.7 Ų | 91.7 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -88.5 | 130 | -178.6 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | W35 L73 | V30-W35 HydrophobicContact CG1-CB 3.93Å; V30-W35 HydrophobicContact CG2-CG 4.45Å; V30-L73 HydrophobicContact CG1-CD2 3.51Å; V30-L73 HydrophobicContact CG1-CG 4.38Å | ||
| 31 | E | 73.2 | Confident | 83.1 | Confident | 154 Ų | 154 | 90.6 Ų | 90.6 | 72% | 0.72 | 49% | 0.486 | S | S | * | . | trans | -75 | 163.8 | 173.9 | -68.4 | -172.2 | 170.9 | 0 | 0 | 111 | N33 | E31-N33 PolarHBondContact O-N 3.02Š| ||
| 32 | A | 70.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 77% | 0.769 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -55.9 | -25.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L73 | A32-L73 WeakPolarHBondContact O-CD1 2.99Š|
| 33 | N | 66.6 | Low | 83.1 | Confident | 133 Ų | 133 | 86 Ų | 86 | 71% | 0.711 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -122.8 | -24.6 | -173.4 | -63.6 | -15.4 | 0 | 0 | 0 | 114.4 | E31 | E31-N33 PolarHBondContact O-N 3.02Š|
| 34 | L | 70.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 146.9 | -169 | -67.8 | 163.9 | 0 | 0 | 0 | 111.8 | ||
| 35 | W | 79.4 | Confident | 83 | Confident | 99 Ų | 99 | 84.1 Ų | 84.1 | 38% | 0.375 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 110.4 | 166.7 | -177.2 | 51.8 | 0 | 0 | 0 | 109.5 | P27 V30 N37 S71 | P27-W35 PolarHBondContact O-NE1 2.86Å; V30-W35 HydrophobicContact CG1-CB 3.93Å; V30-W35 HydrophobicContact CG2-CG 4.45Å; W35-N37 VanDerWaalsContact CH2-ND2 3.31Å; W35-N37 WeakPolarHBondContact CH2-ND2 3.39Å; W35-N37 WeakPolarHBondContact CZ2-ND2 3.44Å; W35-S71 PolarHBondContact N-O 2.77Å; W35-S71 PolarHBondContact O-N 3.12Å |
| 36 | Q | 83.2 | Confident | 83.2 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.6 | -173.8 | -174.6 | 176.2 | 3.3 | 0 | 0 | 112.2 | P27 V69 | P27-Q36 WeakPolarHBondContact CD-O 3.44Å; P27-Q36 WeakPolarHBondContact CG-O 3.34Å; Q36-V69 WeakPolarHBondContact CA-O 3.17Å |
| 37 | N | 88 | Confident | 83.4 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 11% | 0.112 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.2 | 169.9 | -63.7 | -48.8 | 0 | 0 | 0 | 109.5 | L26 P27 W35 D68 V69 | L26-N37 HydrophobicContact CD2-CB 4.06Å; P27-N37 WeakPolarHBondContact CD-OD1 3.33Å; W35-N37 VanDerWaalsContact CH2-ND2 3.31Å; W35-N37 WeakPolarHBondContact CH2-ND2 3.39Å; W35-N37 WeakPolarHBondContact CZ2-ND2 3.44Å; N37-D68 WeakPolarHBondContact O-CA 3.37Å; N37-V69 HydrophobicContact CB-CB 4.37Å; N37-V69 PolarHBondContact N-O 3.42Å; N37-V69 PolarHBondContact O-N 3.07Å |
| 38 | R | 89.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124 | 179 | 174.4 | 170.2 | -72.7 | 164.1 | -3.1 | 110.9 | V25 I67 D68 | V25-R38 PolarHBondContact N-O 2.79Å; V25-R38 PolarHBondContact O-N 2.91Å; R38-I67 CarbonylContact C-O 3.53Å; R38-I67 WeakPolarHBondContact CA-O 3.38Å; R38-D68 VanDerWaalsContact CB-OD1 3.3Å; R38-D68 WeakPolarHBondContact CB-OD1 3.29Å; R38-D68 WeakPolarHBondContact CD-OD1 3.45Å; R38-D68 WeakPolarHBondContact CG-OD1 3.31Å; R38-D68 IonicContact CZ-OD1 3.6Å; R38-D68 IonicContact CZ-OD2 3.46Å; R38-D68 IonicContact NE-OD1 2.71Å; R38-D68 PolarHBondContact NE-OD1 3.39Å; R38-D68 IonicContact NE-OD2 3.32Å; R38-D68 PolarHBondContact NE-OD2 3.49Å; R38-D68 IonicContact NH2-OD1 3.62Å; R38-D68 IonicContact NH2-OD2 2.74Å; R38-D68 PolarHBondContact NH2-OD2 3.15Å |
| 39 | V | 92.1 | Very high | 84.4 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.1 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | Q23 A24 T66 I67 | Q23-V39 CarbonylContact O-C 3.55Å; Q23-V39 WeakPolarHBondContact O-CA 3.32Å; A24-V39 HydrophobicContact CB-CG2 4.1Å; V39-T66 CarbonylContact O-C 3.58Å; V39-T66 WeakPolarHBondContact O-CA 3.5Å; V39-I67 HydrophobicContact CB-CB 4.29Å; V39-I67 PolarHBondContact N-O 3.25Å; V39-I67 PolarHBondContact O-N 2.59Å |
| 40 | S | 91.8 | Very high | 85 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.3 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | Q23 L65 | Q23-S40 PolarHBondContact N-O 3.19Å; Q23-S40 PolarHBondContact O-N 2.86Å; S40-L65 CarbonylContact C-O 3.46Å; S40-L65 WeakPolarHBondContact CA-O 3.48Å |
| 41 | C | 91.8 | Very high | 85.7 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.2 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | T21 I22 L43 I64 L65 | T21-C41 CarbonylContact O-C 3.57Å; T21-C41 WeakPolarHBondContact O-CA 2.85Å; I22-C41 HydrophobicContact CG1-CB 4.35Å; C41-L43 HydrophobicContact CB-CD2 4.44Å; C41-L43 HydrophobicContact CB-CG 4.46Å; C41-I64 CarbonylContact O-C 3.52Å; C41-I64 WeakPolarHBondContact O-CA 3.42Å; C41-L65 HydrophobicContact CB-CB 4.12Å; C41-L65 HydrophobicContact CB-CD2 4.46Å; C41-L65 PolarHBondContact N-O 2.87Å; C41-L65 PolarHBondContact O-N 3.45Å |
| 42 | K | 92.5 | Very high | 86.1 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 106.9 | 170.3 | -175.2 | 175.9 | -178.6 | 173.2 | 0 | 108.4 | S20 T21 I64 | S20-K42 CarbonylContact C-O 3.55Å; S20-K42 WeakPolarHBondContact CA-O 3.38Å; S20-K42 WeakPolarHBondContact CB-O 3.22Å; T21-K42 PolarHBondContact N-O 3.2Å; T21-K42 PolarHBondContact O-N 2.79Å; K42-I64 HydrophobicContact CG-CG1 4.33Å |
| 43 | L | 91 | Very high | 86.5 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.1 | -174.7 | -50.6 | -179.8 | 0 | 0 | 0 | 109.7 | I16 C41 I46 Q62 L63 | I16-L43 HydrophobicContact CD1-CD1 4.19Å; I16-L43 HydrophobicContact CD1-CD2 4.16Å; I16-L43 HydrophobicContact CG2-CB 4.35Å; I16-L43 HydrophobicContact CG2-CD2 4.26Å; C41-L43 HydrophobicContact CB-CD2 4.44Å; C41-L43 HydrophobicContact CB-CG 4.46Å; L43-I46 HydrophobicContact CD1-CD1 3.91Å; L43-Q62 CarbonylContact O-C 3.51Å; L43-Q62 WeakPolarHBondContact O-CA 3.4Å; L43-L63 HydrophobicContact CB-CB 4.3Å; L43-L63 HydrophobicContact CD1-CD2 4.23Å; L43-L63 PolarHBondContact N-O 2.88Å; L43-L63 PolarHBondContact O-N 3.1Å |
| 44 | L | 91.4 | Very high | 87 | Confident | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 144.1 | -179.2 | -63 | 172 | 0 | 0 | 0 | 110.8 | A17 S20 I46 Q62 | A17-L44 HydrophobicContact CB-CB 4.42Å; A17-L44 WeakPolarHBondContact CB-O 3.28Å; A17-L44 PolarHBondContact N-O 2.89Å; S20-L44 PolarHBondContact OG-N 3.49Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 3.44Å; L44-Q62 HydrophobicContact CD2-CB 4.46Å; L44-Q62 HydrophobicContact CD2-CG 4.06Å |
| 45 | E | 89.3 | Confident | 87.7 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 39.2 | 58 | -176.4 | -59.1 | -165.6 | 173.8 | 0 | 0 | 112.6 | A17 S60 E61 | A17-E45 HydrophobicContact CB-CB 3.87Å; A17-E45 HydrophobicContact CB-CG 4.39Å; E45-S60 CarbonylContact C-O 3.17Å; E45-S60 WeakPolarHBondContact CA-O 3.36Å; E45-E61 PolarHBondContact N-O 2.94Å |
| 46 | I | 90 | Very high | 87.9 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.2 | -179.1 | -171 | 168.5 | 0 | 0 | 0 | 110.5 | L14 N15 I16 L43 L44 V48 F58 Q59 S60 L63 | L14-I46 HydrophobicContact CD2-CD1 3.87Å; L14-I46 HydrophobicContact CD2-CG1 4.38Å; N15-I46 WeakPolarHBondContact O-CA 3.45Å; I16-I46 HydrophobicContact CG1-CG1 4.36Å; L43-I46 HydrophobicContact CD1-CD1 3.91Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 3.44Å; I46-V48 HydrophobicContact CD1-CG2 4.26Å; I46-V48 HydrophobicContact CG1-CG2 4.06Å; I46-F58 HydrophobicContact CG2-CE2 4.13Å; I46-Q59 CarbonylContact O-C 3.47Å; I46-Q59 VanDerWaalsContact O-CA 3.26Å; I46-Q59 WeakPolarHBondContact O-CA 3.33Å; I46-S60 PolarHBondContact N-O 2.96Å; I46-S60 PolarHBondContact O-N 2.78Å; I46-L63 HydrophobicContact CD1-CD2 3.84Å; I46-L63 HydrophobicContact CG2-CB 4.15Å |
| 47 | E | 91.3 | Very high | 88 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.1 | 170.1 | -179.8 | -172.4 | -156.7 | 0 | 0 | 109 | N15 L49 | N15-E47 HydrophobicContact CB-CB 4.22Å; N15-E47 PolarHBondContact N-O 2.93Å; N15-E47 PolarHBondContact ND2-OE2 2.83Å; N15-E47 PolarHBondContact O-N 2.93Å; E47-L49 HydrophobicContact CG-CD2 4.24Å; E47-L49 HydrophobicContact CG-CG 4.39Å |
| 48 | V | 90 | Very high | 88 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.4 | -178.6 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | V12 H13 L14 I46 F57 F58 | V12-V48 HydrophobicContact CG1-CG1 3.47Å; V12-V48 VanDerWaalsContact CG1-CG1 3.47Å; H13-V48 WeakPolarHBondContact O-CA 3.47Å; L14-V48 HydrophobicContact CD2-CG1 4.32Å; L14-V48 HydrophobicContact CD2-CG2 3.56Å; L14-V48 HydrophobicContact CG-CG2 4.48Å; I46-V48 HydrophobicContact CD1-CG2 4.26Å; I46-V48 HydrophobicContact CG1-CG2 4.06Å; V48-F57 HydrophobicContact CB-CB 4.49Å; V48-F57 HydrophobicContact CB-CD1 4.39Å; V48-F57 HydrophobicContact CG1-CB 4.4Å; V48-F57 HydrophobicContact CG1-CD1 3.96Å; V48-F57 WeakPolarHBondContact O-CB 3.42Å; V48-F57 PolarHBondContact O-N 3.17Å; V48-F57 VanDerWaalsContact O-N 3.09Å; V48-F58 HydrophobicContact CB-CD1 3.97Å; V48-F58 HydrophobicContact CB-CE1 3.82Å; V48-F58 HydrophobicContact CB-CG 4.42Å; V48-F58 HydrophobicContact CB-CZ 4.15Å; V48-F58 HydrophobicContact CG1-CE1 4.19Å; V48-F58 HydrophobicContact CG2-CD1 3.98Å; V48-F58 HydrophobicContact CG2-CD2 4.19Å; V48-F58 HydrophobicContact CG2-CE1 3.43Å; V48-F58 VanDerWaalsContact CG2-CE1 3.43Å; V48-F58 HydrophobicContact CG2-CE2 3.67Å; V48-F58 HydrophobicContact CG2-CG 4.33Å; V48-F58 HydrophobicContact CG2-CZ 3.26Å; V48-F58 PolarHBondContact N-O 2.74Å; V48-F58 PolarHBondContact O-N 2.71Å |
| 49 | L | 90.9 | Very high | 87.9 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 19% | 0.194 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.8 | 179.5 | -52.1 | 171.1 | 0 | 0 | 0 | 110.7 | V12 H13 E47 R55 Q56 | V12-L49 CarbonylContact C-O 3.46Å; V12-L49 WeakPolarHBondContact CA-O 3.32Å; H13-L49 HydrophobicContact CB-CB 4.22Å; H13-L49 PolarHBondContact N-O 3.1Å; H13-L49 PolarHBondContact O-N 2.82Å; E47-L49 HydrophobicContact CG-CD2 4.24Å; E47-L49 HydrophobicContact CG-CG 4.39Å; L49-R55 CarbonylContact C-O 3.54Å; L49-R55 WeakPolarHBondContact CA-O 3.34Å; L49-Q56 HydrophobicContact CD2-CG 4.4Å |
| 50 | T | 89.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 164.6 | 175.9 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | N11 L52 F54 R55 F57 F101 | N11-T50 CarbonylContact O-C 3.46Å; T50-L52 VanDerWaalsContact C-N 3.25Å; T50-L52 PolarHBondContact O-N 3.27Å; T50-F54 PolarHBondContact OG1-O 3.39Å; T50-R55 PolarHBondContact N-O 3.41Å; T50-R55 WeakPolarHBondContact O-CB 3.44Å; T50-R55 WeakPolarHBondContact O-CG 3.19Å; T50-R55 PolarHBondContact OG1-O 3.2Å; T50-F57 HydrophobicContact CG2-CB 4.05Å; T50-F57 HydrophobicContact CG2-CG 4.34Å; T50-F101 HydrophobicContact CG2-CD1 4.11Å; T50-F101 HydrophobicContact CG2-CE1 3.69Å; T50-F101 HydrophobicContact CG2-CZ 4.12Å |
| 51 | S | 87.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -77.6 | -1.9 | 172 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | N10 N11 F101 | N10-S51 PolarHBondContact OD1-OG 3.34Å; N11-S51 PolarHBondContact N-OG 2.91Å; N11-S51 VanDerWaalsContact N-OG 3.11Å; N11-S51 PolarHBondContact O-N 3.33Å; N11-S51 PolarHBondContact O-OG 3.46Å; N11-S51 WeakPolarHBondContact OD1-CB 3.19Å; S51-F101 WeakPolarHBondContact OG-CE2 3.17Å |
| 52 | L | 81.9 | Confident | 87.5 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -65 | 162.1 | 179.1 | -63.1 | 174.7 | 0 | 0 | 0 | 111.7 | T50 F54 R55 D97 Q98 F101 | T50-L52 VanDerWaalsContact C-N 3.25Å; T50-L52 PolarHBondContact O-N 3.27Å; L52-F54 CarbonylContact O-C 3.5Å; L52-F54 PolarHBondContact O-N 2.78Å; L52-R55 WeakPolarHBondContact O-CG 3.45Å; L52-D97 HydrophobicContact CD1-CB 4.31Å; L52-Q98 HydrophobicContact CD1-CB 4.48Å; L52-Q98 HydrophobicContact CD1-CG 3.86Å; L52-F101 HydrophobicContact CD1-CB 3.97Å; L52-F101 HydrophobicContact CD1-CD2 4.29Å; L52-F101 HydrophobicContact CD1-CG 4.13Å; L52-F101 HydrophobicContact CD2-CB 4.34Å; L52-F101 HydrophobicContact CD2-CD2 3.82Å; L52-F101 HydrophobicContact CD2-CG 4.38Å; L52-F101 HydrophobicContact CG-CB 4.42Å; L52-F101 HydrophobicContact CG-CD2 3.88Å; L52-F101 HydrophobicContact CG-CE2 4.4Å; L52-F101 HydrophobicContact CG-CG 4.23Å |
| 53 | G | 77.6 | Confident | 87.4 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 79% | 0.794 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -52.9 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 54 | F | 77.9 | Confident | 87.4 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -95.5 | 105.1 | 164.6 | -170.9 | -90.3 | 0 | 0 | 0 | 111.2 | T50 L52 Q56 W93 I95 | T50-F54 PolarHBondContact OG1-O 3.39Å; L52-F54 CarbonylContact O-C 3.5Å; L52-F54 PolarHBondContact O-N 2.78Å; F54-Q56 HydrophobicContact CE1-CB 3.79Å; F54-Q56 VanDerWaalsContact CE1-O 3.28Å; F54-Q56 WeakPolarHBondContact CE1-O 3.41Å; F54-Q56 HydrophobicContact CZ-CB 4.13Å; F54-Q56 HydrophobicContact CZ-CG 4.46Å; F54-W93 HydrophobicContact CE1-CB 3.72Å; F54-W93 HydrophobicContact CE1-CG 4.29Å; F54-W93 HydrophobicContact CZ-CB 4.16Å; F54-W93 HydrophobicContact CZ-CG 4.32Å; F54-I95 HydrophobicContact CB-CD1 3.59Å; F54-I95 HydrophobicContact CD1-CD1 3.21Å; F54-I95 HydrophobicContact CD1-CG1 4.21Å; F54-I95 HydrophobicContact CD2-CD1 3.88Å; F54-I95 HydrophobicContact CE1-CD1 3.76Å; F54-I95 HydrophobicContact CE2-CD1 4.36Å; F54-I95 HydrophobicContact CG-CD1 3.26Å; F54-I95 HydrophobicContact CZ-CD1 4.3Å |
| 55 | R | 85.1 | Confident | 87.4 | Confident | 173 Ų | 173 | 46.2 Ų | 46.2 | 65% | 0.653 | 24% | 0.237 | S | C | * | . | trans | -81.2 | -23 | -169.4 | -62 | -173.4 | -179.8 | 177.5 | -0.5 | 115.8 | L49 T50 L52 | L49-R55 CarbonylContact C-O 3.54Å; L49-R55 WeakPolarHBondContact CA-O 3.34Å; T50-R55 PolarHBondContact N-O 3.41Å; T50-R55 WeakPolarHBondContact O-CB 3.44Å; T50-R55 WeakPolarHBondContact O-CG 3.19Å; T50-R55 PolarHBondContact OG1-O 3.2Å; L52-R55 WeakPolarHBondContact O-CG 3.45Å | ||
| 56 | Q | 84.5 | Confident | 87.5 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.6 | -172.2 | -55.3 | -160.2 | -91.7 | 0 | 0 | 110.9 | L49 F54 W93 Q98 | L49-Q56 HydrophobicContact CD2-CG 4.4Å; F54-Q56 HydrophobicContact CE1-CB 3.79Å; F54-Q56 VanDerWaalsContact CE1-O 3.28Å; F54-Q56 WeakPolarHBondContact CE1-O 3.41Å; F54-Q56 HydrophobicContact CZ-CB 4.13Å; F54-Q56 HydrophobicContact CZ-CG 4.46Å; Q56-W93 HydrophobicContact CB-CB 4.41Å; Q56-W93 HydrophobicContact CB-CD2 3.79Å; Q56-W93 HydrophobicContact CB-CE3 3.55Å; Q56-W93 HydrophobicContact CB-CG 4.18Å; Q56-W93 HydrophobicContact CB-CZ3 4.12Å; Q56-Q98 PolarHBondContact O-NE2 2.78Å; Q56-Q98 VanDerWaalsContact O-NE2 3.12Å |
| 57 | F | 85 | Confident | 87.6 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 23% | 0.228 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -69.8 | 176.9 | -172.6 | -130.9 | 0 | 0 | 0 | 112.3 | V48 T50 W93 Q98 V102 | V48-F57 HydrophobicContact CB-CB 4.49Å; V48-F57 HydrophobicContact CB-CD1 4.39Å; V48-F57 HydrophobicContact CG1-CB 4.4Å; V48-F57 HydrophobicContact CG1-CD1 3.96Å; V48-F57 WeakPolarHBondContact O-CB 3.42Å; V48-F57 PolarHBondContact O-N 3.17Å; V48-F57 VanDerWaalsContact O-N 3.09Å; T50-F57 HydrophobicContact CG2-CB 4.05Å; T50-F57 HydrophobicContact CG2-CG 4.34Å; F57-W93 PolarHBondContact O-N 3.18Å; F57-Q98 HydrophobicContact CD2-CG 4.41Å; F57-Q98 HydrophobicContact CE2-CB 4.43Å; F57-V102 HydrophobicContact CZ-CG2 4.35Å |
| 58 | F | 87.6 | Confident | 87.5 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 160.3 | 170.8 | 74.9 | -94.3 | 0 | 0 | 0 | 113.2 | I46 V48 F87 T90 I91 A92 | I46-F58 HydrophobicContact CG2-CE2 4.13Å; V48-F58 HydrophobicContact CB-CD1 3.97Å; V48-F58 HydrophobicContact CB-CE1 3.82Å; V48-F58 HydrophobicContact CB-CG 4.42Å; V48-F58 HydrophobicContact CB-CZ 4.15Å; V48-F58 HydrophobicContact CG1-CE1 4.19Å; V48-F58 HydrophobicContact CG2-CD1 3.98Å; V48-F58 HydrophobicContact CG2-CD2 4.19Å; V48-F58 HydrophobicContact CG2-CE1 3.43Å; V48-F58 VanDerWaalsContact CG2-CE1 3.43Å; V48-F58 HydrophobicContact CG2-CE2 3.67Å; V48-F58 HydrophobicContact CG2-CG 4.33Å; V48-F58 HydrophobicContact CG2-CZ 3.26Å; V48-F58 PolarHBondContact N-O 2.74Å; V48-F58 PolarHBondContact O-N 2.71Å; F58-F87 HydrophobicContact CD2-CE1 4.39Å; F58-F87 HydrophobicContact CE2-CD1 4.38Å; F58-F87 AromaticContact CE2-CE1 3.77Å; F58-F87 HydrophobicContact CE2-CE1 3.77Å; F58-F87 HydrophobicContact CZ-CE1 4.09Å; F58-T90 HydrophobicContact CD2-CG2 4.44Å; F58-I91 CarbonylContact C-O 3.59Å; F58-I91 WeakPolarHBondContact CA-O 3.21Å; F58-I91 WeakPolarHBondContact CB-O 3.42Å; F58-A92 HydrophobicContact CB-CB 4.24Å |
| 59 | Q | 88.3 | Confident | 87.4 | Confident | 73 Ų | 73 | 44 Ų | 44 | 34% | 0.341 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.8 | 174.7 | -174.9 | 178.8 | 2.4 | 0 | 0 | 109.4 | I46 T90 I91 W93 | I46-Q59 CarbonylContact O-C 3.47Å; I46-Q59 VanDerWaalsContact O-CA 3.26Å; I46-Q59 WeakPolarHBondContact O-CA 3.33Å; Q59-T90 CarbonylContact O-C 3.52Å; Q59-T90 VanDerWaalsContact O-CA 3.32Å; Q59-T90 WeakPolarHBondContact O-CA 3.49Å; Q59-T90 WeakPolarHBondContact O-CG2 3.3Å; Q59-I91 PolarHBondContact N-O 3.44Å; Q59-I91 PolarHBondContact O-N 3.05Å; Q59-W93 HydrophobicContact CB-CH2 4.09Å; Q59-W93 HydrophobicContact CB-CZ3 4.08Å |
| 60 | S | 88.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.9 | 179 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | E45 I46 Q62 S88 T90 | E45-S60 CarbonylContact C-O 3.17Å; E45-S60 WeakPolarHBondContact CA-O 3.36Å; I46-S60 PolarHBondContact N-O 2.96Å; I46-S60 PolarHBondContact O-N 2.78Å; S60-Q62 PolarHBondContact OG-O 2.61Å; S60-S88 PolarHBondContact OG-N 2.77Å; S60-S88 PolarHBondContact OG-O 3.13Å; S60-T90 PolarHBondContact OG-OG1 2.86Å; S60-T90 VanDerWaalsContact OG-OG1 3.09Å |
| 61 | E | 88.7 | Confident | 87 | Confident | 91 Ų | 91 | 43.6 Ų | 43.6 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -41 | 177.3 | -173.5 | 178 | 161.8 | 0 | 0 | 110.9 | E45 S88 R89 | E45-E61 PolarHBondContact N-O 2.94Å; E61-S88 PolarHBondContact N-O 2.85Å; E61-R89 HydrophobicContact CB-CB 4.19Å; E61-R89 WeakPolarHBondContact OE2-CD 3.32Å; E61-R89 IonicContact OE2-CZ 2.76Å; E61-R89 IonicContact OE2-NE 3.34Å; E61-R89 IonicContact OE2-NH1 3.56Å; E61-R89 PolarHBondContact OE2-NH1 2.83Å |
| 62 | Q | 89.1 | Confident | 86.6 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.4 | 173.2 | -168.4 | -179.9 | -40.5 | 0 | 0 | 109.9 | L43 L44 S60 F87 S88 | L43-Q62 CarbonylContact O-C 3.51Å; L43-Q62 WeakPolarHBondContact O-CA 3.4Å; L44-Q62 HydrophobicContact CD2-CB 4.46Å; L44-Q62 HydrophobicContact CD2-CG 4.06Å; S60-Q62 PolarHBondContact OG-O 2.61Å; Q62-F87 WeakPolarHBondContact O-CA 3.16Å; Q62-S88 WeakPolarHBondContact CB-OG 3.47Å; Q62-S88 PolarHBondContact N-OG 2.85Å; Q62-S88 VanDerWaalsContact N-OG 3.14Å; Q62-S88 PolarHBondContact O-N 3.4Å |
| 63 | L | 89.8 | Confident | 86.4 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.8 | 168.7 | 170.6 | 57.8 | 0 | 0 | 0 | 109.2 | L43 I46 L85 E86 F87 | L43-L63 HydrophobicContact CB-CB 4.3Å; L43-L63 HydrophobicContact CD1-CD2 4.23Å; L43-L63 PolarHBondContact N-O 2.88Å; L43-L63 PolarHBondContact O-N 3.1Å; I46-L63 HydrophobicContact CD1-CD2 3.84Å; I46-L63 HydrophobicContact CG2-CB 4.15Å; L63-L85 HydrophobicContact CD1-CD2 3.91Å; L63-E86 CarbonylContact C-O 3.58Å; L63-E86 VanDerWaalsContact CA-O 3.29Å; L63-E86 WeakPolarHBondContact CA-O 3.5Å; L63-F87 HydrophobicContact CB-CD1 4.48Å; L63-F87 HydrophobicContact CD1-CD1 3.7Å; L63-F87 HydrophobicContact CD1-CD2 4.17Å; L63-F87 HydrophobicContact CD1-CE1 3.55Å; L63-F87 HydrophobicContact CD1-CE2 4.03Å; L63-F87 HydrophobicContact CD1-CG 4Å; L63-F87 HydrophobicContact CD1-CZ 3.71Å; L63-F87 HydrophobicContact CD2-CE1 4.01Å; L63-F87 HydrophobicContact CG-CD1 4.48Å; L63-F87 HydrophobicContact CG-CE1 4.28Å |
| 64 | I | 91.5 | Very high | 86.3 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.4 | 168.3 | -57.2 | 169.5 | 0 | 0 | 0 | 107.5 | C41 K42 L85 E86 | C41-I64 CarbonylContact O-C 3.52Å; C41-I64 WeakPolarHBondContact O-CA 3.42Å; K42-I64 HydrophobicContact CG-CG1 4.33Å; I64-L85 CarbonylContact O-C 3.5Å; I64-L85 WeakPolarHBondContact O-CA 3.27Å; I64-E86 HydrophobicContact CB-CB 4.14Å; I64-E86 PolarHBondContact N-O 3.37Å; I64-E86 PolarHBondContact O-N 3.42Å |
| 65 | L | 91.7 | Very high | 86 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.8 | 176.3 | 163.1 | 68.1 | 0 | 0 | 0 | 108.8 | S40 C41 I67 I83 I84 L85 | S40-L65 CarbonylContact C-O 3.46Å; S40-L65 WeakPolarHBondContact CA-O 3.48Å; C41-L65 HydrophobicContact CB-CB 4.12Å; C41-L65 HydrophobicContact CB-CD2 4.46Å; C41-L65 PolarHBondContact N-O 2.87Å; C41-L65 PolarHBondContact O-N 3.45Å; L65-I67 HydrophobicContact CD1-CD1 4.16Å; L65-I67 HydrophobicContact CD1-CG1 3.72Å; L65-I67 HydrophobicContact CD2-CD1 4.15Å; L65-I67 HydrophobicContact CD2-CG1 4.49Å; L65-I67 HydrophobicContact CG-CD1 4.29Å; L65-I67 HydrophobicContact CG-CG1 4.08Å; L65-I83 HydrophobicContact CD1-CG2 3.84Å; L65-I84 CarbonylContact C-O 3.2Å; L65-I84 WeakPolarHBondContact CA-O 3.14Å; L65-L85 HydrophobicContact CB-CD2 4.11Å; L65-L85 HydrophobicContact CD1-CD2 3.53Å; L65-L85 HydrophobicContact CD1-CG 3.89Å; L65-L85 HydrophobicContact CG-CD2 4.33Å |
| 66 | T | 92 | Very high | 85.4 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | 173.4 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | V39 I83 I84 | V39-T66 CarbonylContact O-C 3.58Å; V39-T66 WeakPolarHBondContact O-CA 3.5Å; T66-I83 CarbonylContact O-C 3.53Å; T66-I83 WeakPolarHBondContact O-CA 3.16Å; T66-I84 PolarHBondContact N-O 2.8Å; T66-I84 PolarHBondContact O-N 3.21Å |
| 67 | I | 91.1 | Very high | 85.1 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.5 | 178.7 | -56.4 | 172.6 | 0 | 0 | 0 | 107.6 | R38 V39 L65 V69 I83 | R38-I67 CarbonylContact C-O 3.53Å; R38-I67 WeakPolarHBondContact CA-O 3.38Å; V39-I67 HydrophobicContact CB-CB 4.29Å; V39-I67 PolarHBondContact N-O 3.25Å; V39-I67 PolarHBondContact O-N 2.59Å; L65-I67 HydrophobicContact CD1-CD1 4.16Å; L65-I67 HydrophobicContact CD1-CG1 3.72Å; L65-I67 HydrophobicContact CD2-CD1 4.15Å; L65-I67 HydrophobicContact CD2-CG1 4.49Å; L65-I67 HydrophobicContact CG-CD1 4.29Å; L65-I67 HydrophobicContact CG-CG1 4.08Å; I67-V69 HydrophobicContact CG2-CG2 3.91Å; I67-I83 HydrophobicContact CG1-CG1 4.36Å; I67-I83 HydrophobicContact CG1-CG2 4.35Å; I67-I83 HydrophobicContact CG2-CG1 4.19Å |
| 68 | D | 90 | Very high | 84.8 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.9 | 173.8 | -80 | -13 | 0 | 0 | 0 | 109.5 | N37 R38 W81 N82 | N37-D68 WeakPolarHBondContact O-CA 3.37Å; R38-D68 VanDerWaalsContact CB-OD1 3.3Å; R38-D68 WeakPolarHBondContact CB-OD1 3.29Å; R38-D68 WeakPolarHBondContact CD-OD1 3.45Å; R38-D68 WeakPolarHBondContact CG-OD1 3.31Å; R38-D68 IonicContact CZ-OD1 3.6Å; R38-D68 IonicContact CZ-OD2 3.46Å; R38-D68 IonicContact NE-OD1 2.71Å; R38-D68 PolarHBondContact NE-OD1 3.39Å; R38-D68 IonicContact NE-OD2 3.32Å; R38-D68 PolarHBondContact NE-OD2 3.49Å; R38-D68 IonicContact NH2-OD1 3.62Å; R38-D68 IonicContact NH2-OD2 2.74Å; R38-D68 PolarHBondContact NH2-OD2 3.15Å; D68-W81 CarbonylContact O-C 3.56Å; D68-W81 WeakPolarHBondContact O-CA 3.18Å; D68-N82 HydrophobicContact CB-CB 4.22Å; D68-N82 PolarHBondContact N-O 3.42Å; D68-N82 PolarHBondContact O-N 3.08Å |
| 69 | V | 88.5 | Confident | 84.6 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 107 | 177.2 | -174 | 0 | 0 | 0 | 0 | 108.9 | Q36 N37 I67 Q79 W81 | Q36-V69 WeakPolarHBondContact CA-O 3.17Å; N37-V69 HydrophobicContact CB-CB 4.37Å; N37-V69 PolarHBondContact N-O 3.42Å; N37-V69 PolarHBondContact O-N 3.07Å; I67-V69 HydrophobicContact CG2-CG2 3.91Å; V69-Q79 HydrophobicContact CG1-CG 4.18Å; V69-Q79 VanDerWaalsContact CG1-NE2 3.28Å; V69-W81 HydrophobicContact CB-CD2 4.47Å; V69-W81 HydrophobicContact CG1-CD2 3.99Å; V69-W81 HydrophobicContact CG1-CG 4.31Å; V69-W81 HydrophobicContact CG1-CZ2 4.01Å; V69-W81 HydrophobicContact CG2-CD2 3.8Å; V69-W81 HydrophobicContact CG2-CE3 3.61Å; V69-W81 HydrophobicContact CG2-CG 4.42Å; V69-W81 HydrophobicContact CG2-CH2 4.26Å; V69-W81 HydrophobicContact CG2-CZ2 4.43Å; V69-W81 HydrophobicContact CG2-CZ3 3.86Å |
| 70 | C | 87 | Confident | 84.4 | Confident | 21 Ų | 21 | 53 Ų | 53 | 14% | 0.142 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.7 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 109.4 | Q79 K80 | C70-Q79 WeakPolarHBondContact O-CG 3.19Å; C70-K80 HydrophobicContact CB-CB 4.31Å; C70-K80 PolarHBondContact N-O 3.25Å; C70-K80 PolarHBondContact O-N 2.86Å |
| 71 | S | 83.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.1 | 177 | -46.2 | 0 | 0 | 0 | 0 | 110.1 | W35 Q79 | W35-S71 PolarHBondContact N-O 2.77Å; W35-S71 PolarHBondContact O-N 3.12Å; S71-Q79 PolarHBondContact OG-NE2 2.89Å |
| 72 | P | 78.7 | Confident | 84.4 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 156.7 | 176.6 | 29.5 | -32.9 | 0 | 0 | 0 | 111.3 | D77 | P72-D77 HydrophobicContact CB-CB 3.71Å; P72-D77 WeakPolarHBondContact CB-OD2 3.29Å; P72-D77 VanDerWaalsContact CG-C 3.43Å; P72-D77 HydrophobicContact CG-CB 3.64Å; P72-D77 VanDerWaalsContact CG-O 3.29Å; P72-D77 WeakPolarHBondContact CG-O 3.1Å |
| 73 | L | 78.5 | Confident | 84.4 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 56% | 0.56 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -77.9 | -28.1 | 177.3 | -75.2 | 169.4 | 0 | 0 | 0 | 112.7 | V30 A32 | V30-L73 HydrophobicContact CG1-CD2 3.51Å; V30-L73 HydrophobicContact CG1-CG 4.38Å; A32-L73 WeakPolarHBondContact O-CD1 2.99Å |
| 74 | A | 76.2 | Confident | 84.5 | Confident | 58 Ų | 58 | 56 Ų | 56 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -80.6 | 136.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | D77 | A74-D77 HydrophobicContact CB-CB 3.92Å; A74-D77 PolarHBondContact O-N 3.49Å |
| 75 | W | 72 | Confident | 84.4 | Confident | 186 Ų | 186 | 55.2 Ų | 55.2 | 71% | 0.705 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 135.2 | 173.7 | -176.5 | 67.4 | 0 | 0 | 0 | 110 | D77 | W75-D77 PolarHBondContact O-N 2.79Š|
| 76 | C | 71.7 | Confident | 84.4 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 38% | 0.378 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 13.8 | -174.7 | -62.8 | 0 | 0 | 0 | 0 | 116.7 | P122 | C76-P122 WeakPolarHBondContact O-CG 3.44Š|
| 77 | D | 77.2 | Confident | 84.1 | Confident | 87 Ų | 87 | 56 Ų | 56 | 47% | 0.465 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 160.4 | 168.6 | -167.5 | 11.7 | 0 | 0 | 0 | 110.9 | P72 A74 W75 Q79 | P72-D77 HydrophobicContact CB-CB 3.71Å; P72-D77 WeakPolarHBondContact CB-OD2 3.29Å; P72-D77 VanDerWaalsContact CG-C 3.43Å; P72-D77 HydrophobicContact CG-CB 3.64Å; P72-D77 VanDerWaalsContact CG-O 3.29Å; P72-D77 WeakPolarHBondContact CG-O 3.1Å; A74-D77 HydrophobicContact CB-CB 3.92Å; A74-D77 PolarHBondContact O-N 3.49Å; W75-D77 PolarHBondContact O-N 2.79Å; D77-Q79 PolarHBondContact O-N 2.8Å |
| 78 | V | 79.3 | Confident | 83.9 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 120.2 | -166.9 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | P122 T124 | V78-P122 WeakPolarHBondContact CA-O 3.45Å; V78-P122 HydrophobicContact CG2-CB 4.25Å; V78-P122 HydrophobicContact CG2-CG 4.29Å; V78-T124 HydrophobicContact CG1-CG2 3.63Å |
| 79 | Q | 83 | Confident | 83.3 | Confident | 45 Ų | 45 | 59 Ų | 59 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.3 | 171.5 | -168.1 | 179.1 | 31.5 | 0 | 0 | 111.2 | V69 C70 S71 D77 P122 Y123 T124 | V69-Q79 HydrophobicContact CG1-CG 4.18Å; V69-Q79 VanDerWaalsContact CG1-NE2 3.28Å; C70-Q79 WeakPolarHBondContact O-CG 3.19Å; S71-Q79 PolarHBondContact OG-NE2 2.89Å; D77-Q79 PolarHBondContact O-N 2.8Å; Q79-P122 PolarHBondContact N-O 2.86Å; Q79-Y123 CarbonylContact O-C 3.53Å; Q79-Y123 WeakPolarHBondContact O-CA 3.15Å; Q79-T124 PolarHBondContact O-N 3.03Å |
| 80 | K | 85.3 | Confident | 82.9 | Confident | 124 Ų | 124 | 58.7 Ų | 58.7 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.7 | -179.6 | -60.2 | -175.1 | -179.7 | 177.4 | 0 | 111 | C70 | C70-K80 HydrophobicContact CB-CB 4.31Å; C70-K80 PolarHBondContact N-O 3.25Å; C70-K80 PolarHBondContact O-N 2.86Å |
| 81 | W | 87.3 | Confident | 82.6 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.2 | 176.1 | -66.7 | 62.6 | 0 | 0 | 0 | 108.9 | D68 V69 T124 V125 N126 | D68-W81 CarbonylContact O-C 3.56Å; D68-W81 WeakPolarHBondContact O-CA 3.18Å; V69-W81 HydrophobicContact CB-CD2 4.47Å; V69-W81 HydrophobicContact CG1-CD2 3.99Å; V69-W81 HydrophobicContact CG1-CG 4.31Å; V69-W81 HydrophobicContact CG1-CZ2 4.01Å; V69-W81 HydrophobicContact CG2-CD2 3.8Å; V69-W81 HydrophobicContact CG2-CE3 3.61Å; V69-W81 HydrophobicContact CG2-CG 4.42Å; V69-W81 HydrophobicContact CG2-CH2 4.26Å; V69-W81 HydrophobicContact CG2-CZ2 4.43Å; V69-W81 HydrophobicContact CG2-CZ3 3.86Å; W81-T124 PolarHBondContact N-O 3.01Å; W81-V125 HydrophobicContact CB-CB 4.33Å; W81-V125 HydrophobicContact CB-CG1 4.24Å; W81-V125 HydrophobicContact CB-CG2 3.94Å; W81-V125 HydrophobicContact CG-CG2 4.19Å; W81-V125 WeakPolarHBondContact O-CA 3.32Å; W81-N126 PolarHBondContact O-N 2.93Å |
| 82 | N | 89.6 | Confident | 82.5 | Confident | 61 Ų | 61 | 60 Ų | 60 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.3 | 173.4 | -69.3 | -37.6 | 0 | 0 | 0 | 108.8 | D68 N126 | D68-N82 HydrophobicContact CB-CB 4.22Å; D68-N82 PolarHBondContact N-O 3.42Å; D68-N82 PolarHBondContact O-N 3.08Å; N82-N126 WeakPolarHBondContact CA-O 3.14Å; N82-N126 WeakPolarHBondContact OD1-CB 3.19Å; N82-N126 PolarHBondContact OD1-ND2 2.92Å |
| 83 | I | 89.2 | Confident | 82.7 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 108.6 | -178.1 | -61.3 | 169.9 | 0 | 0 | 0 | 107.9 | L65 T66 I67 L85 V125 N126 F127 D128 | L65-I83 HydrophobicContact CD1-CG2 3.84Å; T66-I83 CarbonylContact O-C 3.53Å; T66-I83 WeakPolarHBondContact O-CA 3.16Å; I67-I83 HydrophobicContact CG1-CG1 4.36Å; I67-I83 HydrophobicContact CG1-CG2 4.35Å; I67-I83 HydrophobicContact CG2-CG1 4.19Å; I83-L85 HydrophobicContact CG2-CD1 4.08Å; I83-L85 HydrophobicContact CG2-CG 4.25Å; I83-V125 HydrophobicContact CD1-CG1 4.12Å; I83-N126 PolarHBondContact N-O 3.2Å; I83-F127 HydrophobicContact CB-CD1 3.73Å; I83-F127 HydrophobicContact CB-CE1 4.09Å; I83-F127 HydrophobicContact CD1-CD1 3.91Å; I83-F127 HydrophobicContact CD1-CE1 3.35Å; I83-F127 HydrophobicContact CD1-CZ 3.85Å; I83-F127 HydrophobicContact CG1-CD1 4.39Å; I83-F127 HydrophobicContact CG1-CE1 4.29Å; I83-F127 HydrophobicContact CG2-CD1 3.79Å; I83-F127 HydrophobicContact CG2-CE1 4.07Å; I83-F127 CarbonylContact O-C 3.53Å; I83-F127 WeakPolarHBondContact O-CA 2.9Å; I83-D128 PolarHBondContact O-N 3.2Å |
| 84 | I | 91.4 | Very high | 82.4 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.1 | 179.4 | -53.6 | 172.1 | 0 | 0 | 0 | 108.7 | L65 T66 E86 D128 | L65-I84 CarbonylContact C-O 3.2Å; L65-I84 WeakPolarHBondContact CA-O 3.14Å; T66-I84 PolarHBondContact N-O 2.8Å; T66-I84 PolarHBondContact O-N 3.21Å; I84-E86 HydrophobicContact CG2-CG 4.41Å; I84-D128 CarbonylContact C-O 3.56Å; I84-D128 VanDerWaalsContact CA-O 3.32Å; I84-D128 WeakPolarHBondContact CA-O 3.35Å; I84-D128 HydrophobicContact CG1-CB 4.28Å |
| 85 | L | 90.1 | Very high | 82.5 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 101.8 | -177 | -74.8 | 152 | 0 | 0 | 0 | 109.5 | L63 I64 L65 I83 F87 D128 F129 D130 | L63-L85 HydrophobicContact CD1-CD2 3.91Å; I64-L85 CarbonylContact O-C 3.5Å; I64-L85 WeakPolarHBondContact O-CA 3.27Å; L65-L85 HydrophobicContact CB-CD2 4.11Å; L65-L85 HydrophobicContact CD1-CD2 3.53Å; L65-L85 HydrophobicContact CD1-CG 3.89Å; L65-L85 HydrophobicContact CG-CD2 4.33Å; I83-L85 HydrophobicContact CG2-CD1 4.08Å; I83-L85 HydrophobicContact CG2-CG 4.25Å; L85-F87 HydrophobicContact CB-CD2 4.42Å; L85-F87 HydrophobicContact CB-CE2 3.67Å; L85-F87 HydrophobicContact CB-CZ 4.29Å; L85-F87 HydrophobicContact CD2-CE2 4.45Å; L85-F87 HydrophobicContact CD2-CZ 4.23Å; L85-D128 PolarHBondContact N-O 2.88Å; L85-F129 HydrophobicContact CB-CD1 4Å; L85-F129 HydrophobicContact CD1-CD1 3.57Å; L85-F129 HydrophobicContact CD1-CE1 3.26Å; L85-F129 HydrophobicContact CD1-CG 4.43Å; L85-F129 HydrophobicContact CD1-CZ 3.94Å; L85-F129 HydrophobicContact CG-CD1 4.42Å; L85-F129 HydrophobicContact CG-CE1 4.5Å; L85-F129 CarbonylContact O-C 3.51Å; L85-F129 WeakPolarHBondContact O-CA 3.3Å; L85-D130 PolarHBondContact O-N 2.81Å |
| 86 | E | 90.1 | Very high | 82.7 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.9 | 174.4 | -49.8 | -173.7 | -167.2 | 0 | 0 | 111.1 | L63 I64 I84 D130 K132 | L63-E86 CarbonylContact C-O 3.58Å; L63-E86 VanDerWaalsContact CA-O 3.29Å; L63-E86 WeakPolarHBondContact CA-O 3.5Å; I64-E86 HydrophobicContact CB-CB 4.14Å; I64-E86 PolarHBondContact N-O 3.37Å; I64-E86 PolarHBondContact O-N 3.42Å; I84-E86 HydrophobicContact CG2-CG 4.41Å; E86-D130 CarbonylContact C-O 3.51Å; E86-D130 VanDerWaalsContact CA-O 3.26Å; E86-D130 WeakPolarHBondContact CA-O 3.33Å; E86-D130 HydrophobicContact CB-CB 4.44Å; E86-D130 HydrophobicContact CG-CB 4.17Å; E86-K132 IonicContact OE2-NZ 3.52Å; E86-K132 PolarHBondContact OE2-NZ 2.8Å; E86-K132 VanDerWaalsContact OE2-NZ 3.09Å |
| 87 | F | 87.1 | Confident | 83 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.7 | 175.6 | -56.8 | -101.9 | 0 | 0 | 0 | 111.5 | F58 Q62 L63 L85 T90 F129 D130 F131 K132 | F58-F87 HydrophobicContact CD2-CE1 4.39Å; F58-F87 HydrophobicContact CE2-CD1 4.38Å; F58-F87 AromaticContact CE2-CE1 3.77Å; F58-F87 HydrophobicContact CE2-CE1 3.77Å; F58-F87 HydrophobicContact CZ-CE1 4.09Å; Q62-F87 WeakPolarHBondContact O-CA 3.16Å; L63-F87 HydrophobicContact CB-CD1 4.48Å; L63-F87 HydrophobicContact CD1-CD1 3.7Å; L63-F87 HydrophobicContact CD1-CD2 4.17Å; L63-F87 HydrophobicContact CD1-CE1 3.55Å; L63-F87 HydrophobicContact CD1-CE2 4.03Å; L63-F87 HydrophobicContact CD1-CG 4Å; L63-F87 HydrophobicContact CD1-CZ 3.71Å; L63-F87 HydrophobicContact CD2-CE1 4.01Å; L63-F87 HydrophobicContact CG-CD1 4.48Å; L63-F87 HydrophobicContact CG-CE1 4.28Å; L85-F87 HydrophobicContact CB-CD2 4.42Å; L85-F87 HydrophobicContact CB-CE2 3.67Å; L85-F87 HydrophobicContact CB-CZ 4.29Å; L85-F87 HydrophobicContact CD2-CE2 4.45Å; L85-F87 HydrophobicContact CD2-CZ 4.23Å; F87-T90 WeakPolarHBondContact CB-OG1 3.42Å; F87-T90 HydrophobicContact CD1-CG2 4.32Å; F87-F129 HydrophobicContact CE2-CD1 4.04Å; F87-D130 PolarHBondContact N-O 2.82Å; F87-F131 HydrophobicContact CB-CD1 3.64Å; F87-F131 HydrophobicContact CB-CE1 4.07Å; F87-F131 HydrophobicContact CB-CG 4.42Å; F87-F131 HydrophobicContact CD1-CE1 4.26Å; F87-F131 AromaticContact CD2-CD1 3.64Å; F87-F131 HydrophobicContact CD2-CD1 3.64Å; F87-F131 AromaticContact CD2-CE1 3.32Å; F87-F131 HydrophobicContact CD2-CE1 3.32Å; F87-F131 HydrophobicContact CD2-CE2 4.45Å; F87-F131 HydrophobicContact CD2-CG 4.31Å; F87-F131 AromaticContact CD2-CZ 3.79Å; F87-F131 HydrophobicContact CD2-CZ 3.79Å; F87-F131 HydrophobicContact CE2-CD1 4.46Å; F87-F131 AromaticContact CE2-CE1 3.72Å; F87-F131 HydrophobicContact CE2-CE1 3.72Å; F87-F131 AromaticContact CE2-CZ 3.83Å; F87-F131 HydrophobicContact CE2-CZ 3.83Å; F87-F131 AromaticContact CG-CD1 3.75Å; F87-F131 HydrophobicContact CG-CD1 3.75Å; F87-F131 AromaticContact CG-CE1 3.64Å; F87-F131 HydrophobicContact CG-CE1 3.64Å; F87-F131 HydrophobicContact CZ-CE1 4.35Å; F87-K132 PolarHBondContact O-N 2.82Å |
| 88 | S | 85.3 | Confident | 83.2 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.9 | 169.5 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | S60 E61 Q62 T90 K132 | S60-S88 PolarHBondContact OG-N 2.77Å; S60-S88 PolarHBondContact OG-O 3.13Å; E61-S88 PolarHBondContact N-O 2.85Å; Q62-S88 WeakPolarHBondContact CB-OG 3.47Å; Q62-S88 PolarHBondContact N-OG 2.85Å; Q62-S88 VanDerWaalsContact N-OG 3.14Å; Q62-S88 PolarHBondContact O-N 3.4Å; S88-T90 PolarHBondContact O-N 2.88Å; S88-K132 WeakPolarHBondContact CA-O 3.29Å |
| 89 | R | 79.4 | Confident | 83.2 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 52.5 | 57.7 | 173.8 | -75.5 | 165.9 | 162.7 | -153.9 | -4.9 | 112.5 | E61 K132 A133 | E61-R89 HydrophobicContact CB-CB 4.19Å; E61-R89 WeakPolarHBondContact OE2-CD 3.32Å; E61-R89 IonicContact OE2-CZ 2.76Å; E61-R89 IonicContact OE2-NE 3.34Å; E61-R89 IonicContact OE2-NH1 3.56Å; E61-R89 PolarHBondContact OE2-NH1 2.83Å; R89-K132 PolarHBondContact N-O 2.79Å; R89-A133 HydrophobicContact CG-CB 4.12Å |
| 90 | T | 79.2 | Confident | 82.7 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | trans | -92.6 | 141.6 | -170.9 | -45.8 | 0 | 0 | 0 | 0 | 111.7 | F58 Q59 S60 F87 S88 F131 | F58-T90 HydrophobicContact CD2-CG2 4.44Å; Q59-T90 CarbonylContact O-C 3.52Å; Q59-T90 VanDerWaalsContact O-CA 3.32Å; Q59-T90 WeakPolarHBondContact O-CA 3.49Å; Q59-T90 WeakPolarHBondContact O-CG2 3.3Å; S60-T90 PolarHBondContact OG-OG1 2.86Å; S60-T90 VanDerWaalsContact OG-OG1 3.09Å; F87-T90 WeakPolarHBondContact CB-OG1 3.42Å; F87-T90 HydrophobicContact CD1-CG2 4.32Å; S88-T90 PolarHBondContact O-N 2.88Å; T90-F131 HydrophobicContact CG2-CD1 4.46Å; T90-F131 HydrophobicContact CG2-CE1 4.45Å | ||
| 91 | I | 80.9 | Confident | 82.6 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.8 | 173.7 | -45.4 | 179 | 0 | 0 | 0 | 106.9 | F58 Q59 W93 | F58-I91 CarbonylContact C-O 3.59Å; F58-I91 WeakPolarHBondContact CA-O 3.21Å; F58-I91 WeakPolarHBondContact CB-O 3.42Å; Q59-I91 PolarHBondContact N-O 3.44Å; Q59-I91 PolarHBondContact O-N 3.05Å; I91-W93 HydrophobicContact CB-CH2 4.32Å; I91-W93 HydrophobicContact CB-CZ2 4.47Å; I91-W93 HydrophobicContact CG2-CH2 4.04Å; I91-W93 HydrophobicContact CG2-CZ2 3.71Å |
| 92 | A | 80.9 | Confident | 82.3 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F58 | F58-A92 HydrophobicContact CB-CB 4.24Å |
| 93 | W | 82.8 | Confident | 81.7 | Confident | 22 Ų | 22 | 49 Ų | 49 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | trans | -115.9 | 99.7 | 172 | -62.3 | -80 | 0 | 0 | 0 | 108.2 | F54 Q56 F57 Q59 I91 Q98 | F54-W93 HydrophobicContact CE1-CB 3.72Å; F54-W93 HydrophobicContact CE1-CG 4.29Å; F54-W93 HydrophobicContact CZ-CB 4.16Å; F54-W93 HydrophobicContact CZ-CG 4.32Å; Q56-W93 HydrophobicContact CB-CB 4.41Å; Q56-W93 HydrophobicContact CB-CD2 3.79Å; Q56-W93 HydrophobicContact CB-CE3 3.55Å; Q56-W93 HydrophobicContact CB-CG 4.18Å; Q56-W93 HydrophobicContact CB-CZ3 4.12Å; F57-W93 PolarHBondContact O-N 3.18Å; Q59-W93 HydrophobicContact CB-CH2 4.09Å; Q59-W93 HydrophobicContact CB-CZ3 4.08Å; I91-W93 HydrophobicContact CB-CH2 4.32Å; I91-W93 HydrophobicContact CB-CZ2 4.47Å; I91-W93 HydrophobicContact CG2-CH2 4.04Å; I91-W93 HydrophobicContact CG2-CZ2 3.71Å; W93-Q98 PolarHBondContact O-NE2 3.48Å; W93-Q98 PolarHBondContact O-OE1 2.83Å | ||
| 94 | L | 73.3 | Confident | 81.2 | Confident | 124 Ų | 124 | 48.6 Ų | 48.6 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | trans | -93 | 124.4 | -176.4 | -60.2 | 174.9 | 0 | 0 | 0 | 110.5 | F286 | L94-F286 HydrophobicContact CB-CZ 4.35Š| ||
| 95 | I | 78.4 | Confident | 80.8 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.195 | 24% | 0.235 | C | C | . | . | trans | -131.4 | 144.6 | 172.8 | -59.7 | -177.5 | 0 | 0 | 0 | 108.3 | F54 D97 Q98 | F54-I95 HydrophobicContact CB-CD1 3.59Å; F54-I95 HydrophobicContact CD1-CD1 3.21Å; F54-I95 HydrophobicContact CD1-CG1 4.21Å; F54-I95 HydrophobicContact CD2-CD1 3.88Å; F54-I95 HydrophobicContact CE1-CD1 3.76Å; F54-I95 HydrophobicContact CE2-CD1 4.36Å; F54-I95 HydrophobicContact CG-CD1 3.26Å; F54-I95 HydrophobicContact CZ-CD1 4.3Å; I95-D97 VanDerWaalsContact C-N 3.3Å; I95-D97 HydrophobicContact CG2-CB 4.48Å; I95-D97 PolarHBondContact O-N 3.17Å; I95-Q98 HydrophobicContact CB-CG 4.38Å; I95-Q98 VanDerWaalsContact O-CB 3.27Å; I95-Q98 WeakPolarHBondContact O-CB 3.36Å; I95-Q98 PolarHBondContact O-N 2.8Å | ||
| 96 | F | 75.7 | Confident | 80.1 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 24% | 0.237 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52.8 | -42.8 | -177.6 | -173.4 | -89.5 | 0 | 0 | 0 | 113.4 | Q98 K99 F286 R291 | F96-Q98 PolarHBondContact O-N 2.95Å; F96-K99 WeakPolarHBondContact O-CB 3.46Å; F96-K99 PolarHBondContact O-N 3.27Å; F96-F286 HydrophobicContact CD2-CD1 4.45Å; F96-F286 WeakPolarHBondContact CE2-O 3.27Å; F96-R291 HydrophobicContact CD1-CB 3.72Å; F96-R291 HydrophobicContact CD1-CG 4.36Å; F96-R291 VanDerWaalsContact CD1-O 3.26Å; F96-R291 WeakPolarHBondContact CD1-O 3.48Å; F96-R291 HydrophobicContact CE1-CB 3.75Å; F96-R291 HydrophobicContact CE1-CG 4.15Å; F96-R291 HydrophobicContact CE2-CG 4.4Å; F96-R291 HydrophobicContact CG-CB 4.23Å; F96-R291 HydrophobicContact CZ-CB 4.28Å; F96-R291 HydrophobicContact CZ-CG 4.17Å |
| 97 | D | 77.6 | Confident | 79.2 | Confident | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.4 | -26.8 | 178.2 | -69.6 | -23.1 | 0 | 0 | 0 | 113.8 | L52 I95 K99 Q100 F101 F293 | L52-D97 HydrophobicContact CD1-CB 4.31Å; I95-D97 VanDerWaalsContact C-N 3.3Å; I95-D97 HydrophobicContact CG2-CB 4.48Å; I95-D97 PolarHBondContact O-N 3.17Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 PolarHBondContact O-N 3.41Å; D97-Q100 PolarHBondContact O-N 3.47Å; D97-F101 PolarHBondContact O-N 2.78Å; D97-F101 VanDerWaalsContact O-N 3.16Å; D97-F293 VanDerWaalsContact OD2-CB 3.28Å; D97-F293 WeakPolarHBondContact OD2-CB 3.1Å; D97-F293 PolarHBondContact OD2-N 2.89Å |
| 98 | Q | 80.7 | Confident | 78.7 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -27.6 | 177 | -62.6 | 169.1 | -18.1 | 0 | 0 | 112.2 | L52 Q56 F57 W93 I95 F96 F101 V102 | L52-Q98 HydrophobicContact CD1-CB 4.48Å; L52-Q98 HydrophobicContact CD1-CG 3.86Å; Q56-Q98 PolarHBondContact O-NE2 2.78Å; Q56-Q98 VanDerWaalsContact O-NE2 3.12Å; F57-Q98 HydrophobicContact CD2-CG 4.41Å; F57-Q98 HydrophobicContact CE2-CB 4.43Å; W93-Q98 PolarHBondContact O-NE2 3.48Å; W93-Q98 PolarHBondContact O-OE1 2.83Å; I95-Q98 HydrophobicContact CB-CG 4.38Å; I95-Q98 VanDerWaalsContact O-CB 3.27Å; I95-Q98 WeakPolarHBondContact O-CB 3.36Å; I95-Q98 PolarHBondContact O-N 2.8Å; F96-Q98 PolarHBondContact O-N 2.95Å; Q98-F101 PolarHBondContact O-N 2.76Å; Q98-V102 WeakPolarHBondContact O-CB 3.16Å; Q98-V102 VanDerWaalsContact O-CG2 3.28Å; Q98-V102 WeakPolarHBondContact O-CG2 3.26Å; Q98-V102 PolarHBondContact O-N 2.8Å |
| 99 | K | 79 | Confident | 78 | Confident | 144 Ų | 144 | 56.5 Ų | 56.5 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.2 | -52.4 | 174.5 | 178.5 | -167.4 | 169.4 | -175.1 | 0 | 109.9 | F96 D97 F101 V102 N103 | F96-K99 WeakPolarHBondContact O-CB 3.46Å; F96-K99 PolarHBondContact O-N 3.27Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 PolarHBondContact O-N 3.41Å; K99-F101 VanDerWaalsContact C-N 3.34Å; K99-F101 PolarHBondContact O-N 3.05Å; K99-V102 PolarHBondContact O-N 2.9Å; K99-N103 PolarHBondContact O-N 3.22Å |
| 100 | Q | 74.5 | Confident | 77.4 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | -179.5 | -170.2 | 64 | 42.3 | 0 | 0 | 110.6 | D97 V102 N103 D104 | D97-Q100 PolarHBondContact O-N 3.47Å; Q100-V102 VanDerWaalsContact C-N 3.33Å; Q100-V102 PolarHBondContact O-N 2.94Å; Q100-N103 PolarHBondContact O-N 3.1Å; Q100-D104 PolarHBondContact NE2-OD1 3.47Å; Q100-D104 WeakPolarHBondContact O-CB 3.41Å; Q100-D104 PolarHBondContact O-N 2.88Å |
| 101 | F | 82.9 | Confident | 76.5 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 177.7 | -179.7 | -88.8 | 0 | 0 | 0 | 113.2 | F3 N10 N11 V12 T50 S51 L52 D97 Q98 K99 M105 | F3-F101 HydrophobicContact CE1-CD1 4.44Å; F3-F101 HydrophobicContact CE1-CD2 4.33Å; F3-F101 AromaticContact CE1-CE1 3.76Å; F3-F101 HydrophobicContact CE1-CE1 3.76Å; F3-F101 AromaticContact CE1-CE2 3.65Å; F3-F101 HydrophobicContact CE1-CE2 3.65Å; F3-F101 AromaticContact CE1-CZ 3.33Å; F3-F101 HydrophobicContact CE1-CZ 3.33Å; F3-F101 HydrophobicContact CZ-CD1 4.19Å; F3-F101 AromaticContact CZ-CD2 3.69Å; F3-F101 HydrophobicContact CZ-CD2 3.69Å; F3-F101 AromaticContact CZ-CE1 3.94Å; F3-F101 HydrophobicContact CZ-CE1 3.94Å; F3-F101 AromaticContact CZ-CE2 3.42Å; F3-F101 HydrophobicContact CZ-CE2 3.42Å; F3-F101 VanDerWaalsContact CZ-CE2 3.42Å; F3-F101 HydrophobicContact CZ-CG 4.07Å; F3-F101 AromaticContact CZ-CZ 3.57Å; F3-F101 HydrophobicContact CZ-CZ 3.57Å; N10-F101 HydrophobicContact CB-CE2 3.88Å; N11-F101 WeakPolarHBondContact O-CZ 3.07Å; V12-F101 HydrophobicContact CG2-CE1 3.55Å; V12-F101 HydrophobicContact CG2-CZ 3.77Å; T50-F101 HydrophobicContact CG2-CD1 4.11Å; T50-F101 HydrophobicContact CG2-CE1 3.69Å; T50-F101 HydrophobicContact CG2-CZ 4.12Å; S51-F101 WeakPolarHBondContact OG-CE2 3.17Å; L52-F101 HydrophobicContact CD1-CB 3.97Å; L52-F101 HydrophobicContact CD1-CD2 4.29Å; L52-F101 HydrophobicContact CD1-CG 4.13Å; L52-F101 HydrophobicContact CD2-CB 4.34Å; L52-F101 HydrophobicContact CD2-CD2 3.82Å; L52-F101 HydrophobicContact CD2-CG 4.38Å; L52-F101 HydrophobicContact CG-CB 4.42Å; L52-F101 HydrophobicContact CG-CD2 3.88Å; L52-F101 HydrophobicContact CG-CE2 4.4Å; L52-F101 HydrophobicContact CG-CG 4.23Å; D97-F101 PolarHBondContact O-N 2.78Å; D97-F101 VanDerWaalsContact O-N 3.16Å; Q98-F101 PolarHBondContact O-N 2.76Å; K99-F101 VanDerWaalsContact C-N 3.34Å; K99-F101 PolarHBondContact O-N 3.05Å; F101-M105 PolarHBondContact O-N 3.18Å; F101-M105 VanDerWaalsContact O-N 3.14Å |
| 102 | V | 80.3 | Confident | 75.2 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 176 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F57 Q98 K99 Q100 D104 M105 L106 | F57-V102 HydrophobicContact CZ-CG2 4.35Å; Q98-V102 WeakPolarHBondContact O-CB 3.16Å; Q98-V102 VanDerWaalsContact O-CG2 3.28Å; Q98-V102 WeakPolarHBondContact O-CG2 3.26Å; Q98-V102 PolarHBondContact O-N 2.8Å; K99-V102 PolarHBondContact O-N 2.9Å; Q100-V102 VanDerWaalsContact C-N 3.33Å; Q100-V102 PolarHBondContact O-N 2.94Å; V102-D104 VanDerWaalsContact C-N 3.3Å; V102-D104 PolarHBondContact O-N 3.26Å; V102-M105 WeakPolarHBondContact O-CB 3.36Å; V102-M105 PolarHBondContact O-N 3.44Å; V102-L106 HydrophobicContact CG1-CD1 3.97Å; V102-L106 HydrophobicContact CG1-CG 4.25Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 3.43Å |
| 103 | N | 77.4 | Confident | 73.9 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.5 | -166.6 | 54.5 | 0 | 0 | 0 | 111.6 | K99 Q100 M105 L106 E107 | K99-N103 PolarHBondContact O-N 3.22Å; Q100-N103 PolarHBondContact O-N 3.1Å; N103-M105 VanDerWaalsContact C-N 3.32Å; N103-M105 PolarHBondContact O-N 2.83Å; N103-L106 PolarHBondContact O-N 3.25Å; N103-L106 VanDerWaalsContact O-N 3.14Å; N103-E107 PolarHBondContact ND2-OE1 3.46Å; N103-E107 PolarHBondContact O-N 2.84Å |
| 104 | D | 78.6 | Confident | 72.6 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.08 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 178.1 | -61.9 | -16 | 0 | 0 | 0 | 112 | F3 K5 Q100 V102 E108 | F3-D104 HydrophobicContact CE2-CB 3.87Å; K5-D104 HydrophobicContact CD-CB 3.77Å; K5-D104 WeakPolarHBondContact CD-OD2 3.45Å; K5-D104 WeakPolarHBondContact CE-OD2 3.48Å; K5-D104 IonicContact NZ-OD1 2.77Å; K5-D104 PolarHBondContact NZ-OD1 3.25Å; K5-D104 IonicContact NZ-OD2 2.95Å; K5-D104 PolarHBondContact NZ-OD2 3.31Å; Q100-D104 PolarHBondContact NE2-OD1 3.47Å; Q100-D104 WeakPolarHBondContact O-CB 3.41Å; Q100-D104 PolarHBondContact O-N 2.88Å; V102-D104 VanDerWaalsContact C-N 3.3Å; V102-D104 PolarHBondContact O-N 3.26Å; D104-E108 PolarHBondContact O-N 3.32Å |
| 105 | M | 82.8 | Confident | 71.7 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65 | -41 | 174.8 | -176.3 | -171.3 | 74.3 | 0 | 0 | 111.6 | F3 V12 F101 V102 N103 W109 | F3-M105 HydrophobicContact CD1-CB 4.09Å; F3-M105 HydrophobicContact CD1-CG 3.99Å; F3-M105 HydrophobicContact CD2-CB 4.26Å; F3-M105 HydrophobicContact CE1-CB 3.94Å; F3-M105 HydrophobicContact CE1-CG 4.19Å; F3-M105 HydrophobicContact CE2-CB 4.15Å; F3-M105 HydrophobicContact CG-CB 4.22Å; F3-M105 HydrophobicContact CG-CG 4.3Å; F3-M105 HydrophobicContact CZ-CB 3.96Å; V12-M105 HydrophobicContact CG2-SD 4.28Å; F101-M105 PolarHBondContact O-N 3.18Å; F101-M105 VanDerWaalsContact O-N 3.14Å; V102-M105 WeakPolarHBondContact O-CB 3.36Å; V102-M105 PolarHBondContact O-N 3.44Å; N103-M105 VanDerWaalsContact C-N 3.32Å; N103-M105 PolarHBondContact O-N 2.83Å; M105-W109 HydrophobicContact CE-CE3 4.41Å; M105-W109 HydrophobicContact CE-CH2 4.05Å; M105-W109 HydrophobicContact CE-CZ3 3.85Å; M105-W109 HydrophobicContact CG-CD2 4Å; M105-W109 HydrophobicContact CG-CE3 4.17Å; M105-W109 HydrophobicContact CG-CH2 3.77Å; M105-W109 HydrophobicContact CG-CZ2 3.58Å; M105-W109 HydrophobicContact CG-CZ3 4.07Å; M105-W109 WeakPolarHBondContact O-CB 3.43Å; M105-W109 VanDerWaalsContact O-CG 3.26Å; M105-W109 PolarHBondContact O-N 3.31Å; M105-W109 HydrophobicContact SD-CH2 3.41Å; M105-W109 WeakPolarHBondContact SD-CH2 3.42Å; M105-W109 HydrophobicContact SD-CZ2 3.77Å; M105-W109 HydrophobicContact SD-CZ3 3.84Å |
| 106 | L | 75.7 | Confident | 70.9 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 178 | -67.4 | 173.7 | 0 | 0 | 0 | 111.3 | V102 N103 E108 W109 F110 | V102-L106 HydrophobicContact CG1-CD1 3.97Å; V102-L106 HydrophobicContact CG1-CG 4.25Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 3.43Å; N103-L106 PolarHBondContact O-N 3.25Å; N103-L106 VanDerWaalsContact O-N 3.14Å; L106-E108 VanDerWaalsContact C-N 3.32Å; L106-E108 PolarHBondContact O-N 3.33Å; L106-W109 PolarHBondContact O-N 2.78Å; L106-F110 HydrophobicContact CB-CD2 4.24Å; L106-F110 HydrophobicContact CD2-CD2 3.93Å; L106-F110 HydrophobicContact CD2-CE2 3.52Å; L106-F110 WeakPolarHBondContact O-CB 3.5Å; L106-F110 WeakPolarHBondContact O-CD2 3.33Å; L106-F110 PolarHBondContact O-N 3.31Å |
| 107 | E | 71 | Confident | 70.5 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.8 | -44 | 178.6 | -81.9 | 175.4 | -165.4 | 0 | 0 | 111.8 | N103 T111 | N103-E107 PolarHBondContact ND2-OE1 3.46Å; N103-E107 PolarHBondContact O-N 2.84Å; E107-T111 WeakPolarHBondContact CA-OG1 3.35Å; E107-T111 CarbonylContact O-C 3.55Å; E107-T111 WeakPolarHBondContact O-CA 3.38Å; E107-T111 WeakPolarHBondContact O-CB 3.12Å; E107-T111 PolarHBondContact O-N 3.17Å; E107-T111 PolarHBondContact O-OG1 2.78Å |
| 108 | E | 75.6 | Confident | 70.1 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 179.4 | -173.2 | 175 | 164.2 | 0 | 0 | 113 | F3 M4 D104 L106 | F3-E108 VanDerWaalsContact C-OE2 3.27Å; F3-E108 WeakPolarHBondContact CA-OE1 3.35Å; F3-E108 VanDerWaalsContact CA-OE2 3.31Å; F3-E108 WeakPolarHBondContact CA-OE2 3.41Å; F3-E108 WeakPolarHBondContact CB-OE2 3.34Å; M4-E108 PolarHBondContact N-OE1 2.63Å; M4-E108 PolarHBondContact N-OE2 3.29Å; D104-E108 PolarHBondContact O-N 3.32Å; L106-E108 VanDerWaalsContact C-N 3.32Å; L106-E108 PolarHBondContact O-N 3.33Å |
| 109 | W | 71 | Confident | 69.5 | Low | 112 Ų | 112 | 85.4 Ų | 85.4 | 42% | 0.424 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -79.2 | -32.6 | -177.7 | -70 | 2.8 | 0 | 0 | 0 | 113.5 | M1 M105 L106 | M1-W109 HydrophobicContact CB-CH2 4.19Å; M1-W109 HydrophobicContact CB-CZ2 3.99Å; M1-W109 HydrophobicContact CG-CH2 4.26Å; M1-W109 HydrophobicContact CG-CZ2 4.45Å; M1-W109 HydrophobicContact SD-CH2 3.65Å; M1-W109 HydrophobicContact SD-CZ2 4.38Å; M105-W109 HydrophobicContact CE-CE3 4.41Å; M105-W109 HydrophobicContact CE-CH2 4.05Å; M105-W109 HydrophobicContact CE-CZ3 3.85Å; M105-W109 HydrophobicContact CG-CD2 4Å; M105-W109 HydrophobicContact CG-CE3 4.17Å; M105-W109 HydrophobicContact CG-CH2 3.77Å; M105-W109 HydrophobicContact CG-CZ2 3.58Å; M105-W109 HydrophobicContact CG-CZ3 4.07Å; M105-W109 WeakPolarHBondContact O-CB 3.43Å; M105-W109 VanDerWaalsContact O-CG 3.26Å; M105-W109 PolarHBondContact O-N 3.31Å; M105-W109 HydrophobicContact SD-CH2 3.41Å; M105-W109 WeakPolarHBondContact SD-CH2 3.42Å; M105-W109 HydrophobicContact SD-CZ2 3.77Å; M105-W109 HydrophobicContact SD-CZ3 3.84Å; L106-W109 PolarHBondContact O-N 2.78Å |
| 110 | F | 66.5 | Low | 69.1 | Low | 103 Ų | 103 | 79.7 Ų | 79.7 | 45% | 0.452 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -105.9 | -21.2 | -174.4 | -66.5 | -72.5 | 0 | 0 | 0 | 114.1 | L106 P112 | L106-F110 HydrophobicContact CB-CD2 4.24Å; L106-F110 HydrophobicContact CD2-CD2 3.93Å; L106-F110 HydrophobicContact CD2-CE2 3.52Å; L106-F110 WeakPolarHBondContact O-CB 3.5Å; L106-F110 WeakPolarHBondContact O-CD2 3.33Å; L106-F110 PolarHBondContact O-N 3.31Å; F110-P112 VanDerWaalsContact C-CD 3.45Å |
| 111 | T | 61.3 | Low | 69 | Low | 90 Ų | 90 | 80.7 Ų | 80.7 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | trans | -129.9 | 52.7 | -173.4 | 23.9 | 0 | 0 | 0 | 0 | 113.7 | E107 V113 | E107-T111 WeakPolarHBondContact CA-OG1 3.35Å; E107-T111 CarbonylContact O-C 3.55Å; E107-T111 WeakPolarHBondContact O-CA 3.38Å; E107-T111 WeakPolarHBondContact O-CB 3.12Å; E107-T111 PolarHBondContact O-N 3.17Å; E107-T111 PolarHBondContact O-OG1 2.78Å; T111-V113 VanDerWaalsContact C-N 3.33Å; T111-V113 PolarHBondContact O-N 2.78Å | ||
| 112 | P | 52.3 | Low | 68.7 | Low | 101 Ų | 101 | 80.7 Ų | 80.7 | 66% | 0.656 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -72.4 | -20.5 | -173.6 | 27.9 | -34.2 | 0 | 0 | 0 | 114.6 | F110 | F110-P112 VanDerWaalsContact C-CD 3.45Š|
| 113 | V | 53.8 | Low | 68.6 | Low | 107 Ų | 107 | 81.8 Ų | 81.8 | 65% | 0.648 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -153.1 | 145.4 | 179.7 | -168.1 | 0 | 0 | 0 | 0 | 109.2 | T111 N115 | T111-V113 VanDerWaalsContact C-N 3.33Å; T111-V113 PolarHBondContact O-N 2.78Å; V113-N115 PolarHBondContact O-N 3.44Å |
| 114 | S | 55.2 | Low | 68.8 | Low | 100 Ų | 100 | 79.3 Ų | 79.3 | 70% | 0.699 | 40% | 0.397 | S | S | * | . | trans | -50.4 | 115.6 | 168.2 | 57.8 | 0 | 0 | 0 | 0 | 109 | D116 | S114-D116 PolarHBondContact O-N 2.9Š| ||
| 115 | N | 55.3 | Low | 69 | Low | 80 Ų | 80 | 79.2 Ų | 79.2 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | trans | -59.2 | 118.8 | -177.6 | -74.9 | -32.8 | 0 | 0 | 0 | 108.4 | V113 F120 Y150 | V113-N115 PolarHBondContact O-N 3.44Å; N115-F120 HydrophobicContact CB-CB 4.34Å; N115-F120 HydrophobicContact CB-CD2 4.44Å; N115-Y150 HydrophobicContact CB-CE2 4.17Å; N115-Y150 WeakPolarHBondContact O-CE2 3.16Å; N115-Y150 VanDerWaalsContact O-CZ 3.29Å; N115-Y150 PolarHBondContact O-OH 2.93Å | ||
| 116 | D | 61.8 | Low | 69.2 | Low | 79 Ų | 79 | 79.8 Ų | 79.8 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | trans | -60.4 | 140.6 | 160.5 | -176.5 | -2.6 | 0 | 0 | 0 | 107.2 | S114 Y118 K119 F120 | S114-D116 PolarHBondContact O-N 2.9Å; D116-Y118 PolarHBondContact O-N 3.49Å; D116-Y118 WeakPolarHBondContact OD1-CD2 3.28Å; D116-K119 HydrophobicContact CB-CD 4.41Å; D116-K119 HydrophobicContact CB-CG 4.38Å; D116-K119 WeakPolarHBondContact O-CA 3.25Å; D116-K119 PolarHBondContact O-N 2.78Å; D116-F120 PolarHBondContact O-N 2.79Å | ||
| 117 | I | 68.3 | Low | 69.6 | Low | 95 Ų | 95 | 79.2 Ų | 79.2 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -55.3 | -30.3 | -177.4 | -164.8 | 168.8 | 0 | 0 | 0 | 111.5 | K119 Y150 | I117-K119 VanDerWaalsContact C-N 3.28Å; I117-K119 PolarHBondContact O-N 3.41Å; I117-Y150 HydrophobicContact CB-CE1 4.07Å; I117-Y150 HydrophobicContact CB-CE2 4.27Å; I117-Y150 HydrophobicContact CD1-CD1 4.27Å; I117-Y150 HydrophobicContact CD1-CE1 4.34Å; I117-Y150 HydrophobicContact CG1-CD1 4.19Å; I117-Y150 HydrophobicContact CG1-CE1 4.18Å; I117-Y150 HydrophobicContact CG1-CG 4.4Å; I117-Y150 PolarHBondContact N-OH 3.44Å |
| 118 | Y | 68.3 | Low | 70.3 | Confident | 171 Ų | 171 | 77.8 Ų | 77.8 | 67% | 0.671 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -73.7 | -13.9 | 176.8 | -64.1 | -70.7 | 0 | 0 | 0 | 114.8 | D116 | D116-Y118 PolarHBondContact O-N 3.49Å; D116-Y118 WeakPolarHBondContact OD1-CD2 3.28Å |
| 119 | K | 68.1 | Low | 70.8 | Confident | 145 Ų | 145 | 77 Ų | 77 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -110.5 | -3.7 | 179.2 | -64.1 | -178.6 | -176.4 | 174.2 | 0 | 112.9 | D116 I117 F121 | D116-K119 HydrophobicContact CB-CD 4.41Å; D116-K119 HydrophobicContact CB-CG 4.38Å; D116-K119 WeakPolarHBondContact O-CA 3.25Å; D116-K119 PolarHBondContact O-N 2.78Å; I117-K119 VanDerWaalsContact C-N 3.28Å; I117-K119 PolarHBondContact O-N 3.41Å; K119-F121 VanDerWaalsContact O-CD2 3.25Å; K119-F121 WeakPolarHBondContact O-CD2 3.37Å; K119-F121 WeakPolarHBondContact O-CE2 3.32Å |
| 120 | F | 70.2 | Confident | 71.4 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | trans | -76.9 | 124.3 | 177.7 | 178.8 | -104 | 0 | 0 | 0 | 110.8 | N115 D116 P122 M149 Y150 | N115-F120 HydrophobicContact CB-CB 4.34Å; N115-F120 HydrophobicContact CB-CD2 4.44Å; D116-F120 PolarHBondContact O-N 2.79Å; F120-P122 HydrophobicContact CE1-CB 4.22Å; F120-P122 HydrophobicContact CZ-CB 4.43Å; F120-M149 VanDerWaalsContact CZ-C 3.47Å; F120-Y150 HydrophobicContact CB-CD2 3.63Å; F120-Y150 HydrophobicContact CB-CE2 4.08Å; F120-Y150 HydrophobicContact CD1-CD2 4.08Å; F120-Y150 HydrophobicContact CD1-CG 4.46Å; F120-Y150 AromaticContact CD2-CD2 3.93Å; F120-Y150 HydrophobicContact CD2-CD2 3.93Å; F120-Y150 AromaticContact CG-CD2 3.6Å; F120-Y150 HydrophobicContact CG-CD2 3.6Å; F120-Y150 HydrophobicContact CG-CE2 4.47Å; F120-Y150 HydrophobicContact CG-CG 4.4Å | ||
| 121 | F | 72.4 | Confident | 72 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 47% | 0.469 | 36% | 0.355 | S | S | . | . | trans | -120.7 | 124.5 | 170 | -61.6 | -83.7 | 0 | 0 | 0 | 108.1 | K119 Y123 | K119-F121 VanDerWaalsContact O-CD2 3.25Å; K119-F121 WeakPolarHBondContact O-CD2 3.37Å; K119-F121 WeakPolarHBondContact O-CE2 3.32Å; F121-Y123 WeakPolarHBondContact O-CD1 3.42Å; F121-Y123 PolarHBondContact O-N 2.82Å | ||
| 122 | P | 76.3 | Confident | 72.3 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | trans | -67.9 | 136.8 | 177.1 | 26.2 | -29.8 | 0 | 0 | 0 | 109.6 | C76 V78 Q79 F120 S147 | C76-P122 WeakPolarHBondContact O-CG 3.44Å; V78-P122 WeakPolarHBondContact CA-O 3.45Å; V78-P122 HydrophobicContact CG2-CB 4.25Å; V78-P122 HydrophobicContact CG2-CG 4.29Å; Q79-P122 PolarHBondContact N-O 2.86Å; F120-P122 HydrophobicContact CE1-CB 4.22Å; F120-P122 HydrophobicContact CZ-CB 4.43Å; P122-S147 CarbonylContact C-O 3.38Å; P122-S147 WeakPolarHBondContact CA-O 3.2Å | ||
| 123 | Y | 78.3 | Confident | 72.4 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 27% | 0.271 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.3 | 179 | 63.2 | -96.1 | 0 | 0 | 0 | 111.5 | Q79 F121 V125 S147 | Q79-Y123 CarbonylContact O-C 3.53Å; Q79-Y123 WeakPolarHBondContact O-CA 3.15Å; F121-Y123 WeakPolarHBondContact O-CD1 3.42Å; F121-Y123 PolarHBondContact O-N 2.82Å; Y123-V125 HydrophobicContact CD2-CG2 3.73Å; Y123-V125 HydrophobicContact CE2-CG2 4.04Å; Y123-S147 WeakPolarHBondContact CE1-OG 3.32Å; Y123-S147 PolarHBondContact N-O 3.42Å; Y123-S147 CarbonylContact O-C 3.55Å; Y123-S147 WeakPolarHBondContact O-CA 3.36Å; Y123-S147 PolarHBondContact O-N 2.89Å |
| 124 | T | 82 | Confident | 72.3 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.3 | 171 | 56.6 | 0 | 0 | 0 | 0 | 108.5 | V78 Q79 W81 Y144 P146 | V78-T124 HydrophobicContact CG1-CG2 3.63Å; Q79-T124 PolarHBondContact O-N 3.03Å; W81-T124 PolarHBondContact N-O 3.01Å; T124-Y144 HydrophobicContact CG2-CE2 4.18Å; T124-Y144 WeakPolarHBondContact CG2-OH 3.02Å; T124-P146 HydrophobicContact CG2-CB 4.1Å |
| 125 | V | 82.3 | Confident | 72.2 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.6 | 178 | -176.3 | 0 | 0 | 0 | 0 | 109 | W81 I83 Y123 F127 Y144 S145 | W81-V125 HydrophobicContact CB-CB 4.33Å; W81-V125 HydrophobicContact CB-CG1 4.24Å; W81-V125 HydrophobicContact CB-CG2 3.94Å; W81-V125 HydrophobicContact CG-CG2 4.19Å; W81-V125 WeakPolarHBondContact O-CA 3.32Å; I83-V125 HydrophobicContact CD1-CG1 4.12Å; Y123-V125 HydrophobicContact CD2-CG2 3.73Å; Y123-V125 HydrophobicContact CE2-CG2 4.04Å; V125-F127 HydrophobicContact CB-CE2 4.28Å; V125-F127 HydrophobicContact CG1-CD2 3.7Å; V125-F127 HydrophobicContact CG1-CE1 4.37Å; V125-F127 HydrophobicContact CG1-CE2 3.24Å; V125-F127 HydrophobicContact CG1-CG 4.43Å; V125-F127 HydrophobicContact CG1-CZ 3.62Å; V125-Y144 WeakPolarHBondContact O-CA 3.06Å; V125-S145 PolarHBondContact N-O 3.03Å; V125-S145 PolarHBondContact O-N 3.25Å |
| 126 | N | 87.2 | Confident | 72.1 | Confident | 39 Ų | 39 | 58 Ų | 58 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.7 | 175.8 | 175.3 | 27.9 | 0 | 0 | 0 | 108.2 | W81 N82 I83 N142 V143 | W81-N126 PolarHBondContact O-N 2.93Å; N82-N126 WeakPolarHBondContact CA-O 3.14Å; N82-N126 WeakPolarHBondContact OD1-CB 3.19Å; N82-N126 PolarHBondContact OD1-ND2 2.92Å; I83-N126 PolarHBondContact N-O 3.2Å; N126-N142 VanDerWaalsContact OD1-CG 3.29Å; N126-N142 PolarHBondContact OD1-ND2 3.49Å; N126-N142 PolarHBondContact OD1-OD1 2.99Å; N126-V143 CarbonylContact C-O 3.56Å; N126-V143 WeakPolarHBondContact CA-O 2.85Å |
| 127 | F | 83.9 | Confident | 71.8 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.1 | 172.1 | -64.7 | -89.1 | 0 | 0 | 0 | 109.6 | I83 V125 F129 N142 V143 | I83-F127 HydrophobicContact CB-CD1 3.73Å; I83-F127 HydrophobicContact CB-CE1 4.09Å; I83-F127 HydrophobicContact CD1-CD1 3.91Å; I83-F127 HydrophobicContact CD1-CE1 3.35Å; I83-F127 HydrophobicContact CD1-CZ 3.85Å; I83-F127 HydrophobicContact CG1-CD1 4.39Å; I83-F127 HydrophobicContact CG1-CE1 4.29Å; I83-F127 HydrophobicContact CG2-CD1 3.79Å; I83-F127 HydrophobicContact CG2-CE1 4.07Å; I83-F127 CarbonylContact O-C 3.53Å; I83-F127 WeakPolarHBondContact O-CA 2.9Å; V125-F127 HydrophobicContact CB-CE2 4.28Å; V125-F127 HydrophobicContact CG1-CD2 3.7Å; V125-F127 HydrophobicContact CG1-CE1 4.37Å; V125-F127 HydrophobicContact CG1-CE2 3.24Å; V125-F127 HydrophobicContact CG1-CG 4.43Å; V125-F127 HydrophobicContact CG1-CZ 3.62Å; F127-F129 HydrophobicContact CB-CD2 4.08Å; F127-F129 HydrophobicContact CB-CE2 3.38Å; F127-F129 HydrophobicContact CB-CZ 3.94Å; F127-F129 HydrophobicContact CD1-CZ 4.24Å; F127-F129 HydrophobicContact CG-CE2 4.17Å; F127-F129 HydrophobicContact CG-CZ 4.29Å; F127-N142 CarbonylContact O-C 3.52Å; F127-N142 VanDerWaalsContact O-CA 3.23Å; F127-N142 WeakPolarHBondContact O-CA 3.4Å; F127-V143 HydrophobicContact CB-CB 4.25Å; F127-V143 HydrophobicContact CD2-CB 4.44Å; F127-V143 PolarHBondContact N-O 3.3Å; F127-V143 PolarHBondContact O-N 3.17Å |
| 128 | D | 87 | Confident | 71.5 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.5 | 173.9 | -170.2 | 7 | 0 | 0 | 0 | 109.1 | I83 I84 L85 A141 | I83-D128 PolarHBondContact O-N 3.2Å; I84-D128 CarbonylContact C-O 3.56Å; I84-D128 VanDerWaalsContact CA-O 3.32Å; I84-D128 WeakPolarHBondContact CA-O 3.35Å; I84-D128 HydrophobicContact CG1-CB 4.28Å; L85-D128 PolarHBondContact N-O 2.88Å; D128-A141 CarbonylContact C-O 3.52Å; D128-A141 WeakPolarHBondContact CA-O 3.44Å |
| 129 | F | 84.9 | Confident | 71.7 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 23% | 0.228 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.6 | 178.5 | -54.9 | -102.2 | 0 | 0 | 0 | 109.3 | L85 F87 F127 F131 R140 A141 V143 | L85-F129 HydrophobicContact CB-CD1 4Å; L85-F129 HydrophobicContact CD1-CD1 3.57Å; L85-F129 HydrophobicContact CD1-CE1 3.26Å; L85-F129 HydrophobicContact CD1-CG 4.43Å; L85-F129 HydrophobicContact CD1-CZ 3.94Å; L85-F129 HydrophobicContact CG-CD1 4.42Å; L85-F129 HydrophobicContact CG-CE1 4.5Å; L85-F129 CarbonylContact O-C 3.51Å; L85-F129 WeakPolarHBondContact O-CA 3.3Å; F87-F129 HydrophobicContact CE2-CD1 4.04Å; F127-F129 HydrophobicContact CB-CD2 4.08Å; F127-F129 HydrophobicContact CB-CE2 3.38Å; F127-F129 HydrophobicContact CB-CZ 3.94Å; F127-F129 HydrophobicContact CD1-CZ 4.24Å; F127-F129 HydrophobicContact CG-CE2 4.17Å; F127-F129 HydrophobicContact CG-CZ 4.29Å; F129-F131 HydrophobicContact CB-CD2 4.27Å; F129-F131 HydrophobicContact CB-CE2 3.56Å; F129-F131 HydrophobicContact CB-CZ 4.19Å; F129-F131 HydrophobicContact CD1-CZ 4.37Å; F129-F131 HydrophobicContact CG-CE2 4.38Å; F129-R140 CarbonylContact O-C 3.51Å; F129-R140 WeakPolarHBondContact O-CA 3.31Å; F129-A141 HydrophobicContact CB-CB 4.02Å; F129-A141 HydrophobicContact CD2-CB 4.04Å; F129-A141 HydrophobicContact CG-CB 4.42Å; F129-A141 PolarHBondContact N-O 2.83Å; F129-A141 PolarHBondContact O-N 2.75Å; F129-V143 HydrophobicContact CE2-CG2 4.28Å |
| 130 | D | 84.4 | Confident | 72.2 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.8 | 175.2 | 177.7 | 17.8 | 0 | 0 | 0 | 109.4 | L85 E86 F87 K132 | L85-D130 PolarHBondContact O-N 2.81Å; E86-D130 CarbonylContact C-O 3.51Å; E86-D130 VanDerWaalsContact CA-O 3.26Å; E86-D130 WeakPolarHBondContact CA-O 3.33Å; E86-D130 HydrophobicContact CB-CB 4.44Å; E86-D130 HydrophobicContact CG-CB 4.17Å; F87-D130 PolarHBondContact N-O 2.82Å; D130-K132 WeakPolarHBondContact OD2-CE 3.3Å; D130-K132 IonicContact OD2-NZ 2.85Å; D130-K132 PolarHBondContact OD2-NZ 2.8Å |
| 131 | F | 78.1 | Confident | 72.6 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.4 | 176.1 | -55.7 | -98.3 | 0 | 0 | 0 | 110.6 | F87 T90 F129 V134 L139 | F87-F131 HydrophobicContact CB-CD1 3.64Å; F87-F131 HydrophobicContact CB-CE1 4.07Å; F87-F131 HydrophobicContact CB-CG 4.42Å; F87-F131 HydrophobicContact CD1-CE1 4.26Å; F87-F131 AromaticContact CD2-CD1 3.64Å; F87-F131 HydrophobicContact CD2-CD1 3.64Å; F87-F131 AromaticContact CD2-CE1 3.32Å; F87-F131 HydrophobicContact CD2-CE1 3.32Å; F87-F131 HydrophobicContact CD2-CE2 4.45Å; F87-F131 HydrophobicContact CD2-CG 4.31Å; F87-F131 AromaticContact CD2-CZ 3.79Å; F87-F131 HydrophobicContact CD2-CZ 3.79Å; F87-F131 HydrophobicContact CE2-CD1 4.46Å; F87-F131 AromaticContact CE2-CE1 3.72Å; F87-F131 HydrophobicContact CE2-CE1 3.72Å; F87-F131 AromaticContact CE2-CZ 3.83Å; F87-F131 HydrophobicContact CE2-CZ 3.83Å; F87-F131 AromaticContact CG-CD1 3.75Å; F87-F131 HydrophobicContact CG-CD1 3.75Å; F87-F131 AromaticContact CG-CE1 3.64Å; F87-F131 HydrophobicContact CG-CE1 3.64Å; F87-F131 HydrophobicContact CZ-CE1 4.35Å; T90-F131 HydrophobicContact CG2-CD1 4.46Å; T90-F131 HydrophobicContact CG2-CE1 4.45Å; F129-F131 HydrophobicContact CB-CD2 4.27Å; F129-F131 HydrophobicContact CB-CE2 3.56Å; F129-F131 HydrophobicContact CB-CZ 4.19Å; F129-F131 HydrophobicContact CD1-CZ 4.37Å; F129-F131 HydrophobicContact CG-CE2 4.38Å; F131-V134 HydrophobicContact CB-CG2 3.75Å; F131-V134 HydrophobicContact CD1-CG2 4.4Å; F131-V134 HydrophobicContact CG-CG2 4.44Å; F131-L139 HydrophobicContact CB-CB 4.18Å; F131-L139 HydrophobicContact CD2-CB 4.42Å; F131-L139 HydrophobicContact CD2-CD2 3.96Å; F131-L139 HydrophobicContact CD2-CG 4.35Å; F131-L139 PolarHBondContact N-O 2.59Å; F131-L139 PolarHBondContact O-N 2.77Å |
| 132 | K | 68.9 | Low | 73 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 38% | 0.378 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.8 | 176.3 | -67.7 | 171.8 | 179.7 | 134.5 | 0 | 110.2 | E86 F87 S88 R89 D130 | E86-K132 IonicContact OE2-NZ 3.52Å; E86-K132 PolarHBondContact OE2-NZ 2.8Å; E86-K132 VanDerWaalsContact OE2-NZ 3.09Å; F87-K132 PolarHBondContact O-N 2.82Å; S88-K132 WeakPolarHBondContact CA-O 3.29Å; R89-K132 PolarHBondContact N-O 2.79Å; D130-K132 WeakPolarHBondContact OD2-CE 3.3Å; D130-K132 IonicContact OD2-NZ 2.85Å; D130-K132 PolarHBondContact OD2-NZ 2.8Å |
| 133 | A | 54.1 | Low | 73.2 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 60.3 | 52.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R89 V137 | R89-A133 HydrophobicContact CG-CB 4.12Å; A133-V137 PolarHBondContact N-O 2.76Å |
| 134 | V | 50.6 | Low | 73.3 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -86.2 | -173.1 | 155.6 | -179.5 | 0 | 0 | 0 | 0 | 105.4 | F131 L136 | F131-V134 HydrophobicContact CB-CG2 3.75Å; F131-V134 HydrophobicContact CD1-CG2 4.4Å; F131-V134 HydrophobicContact CG-CG2 4.44Å; V134-L136 CarbonylContact C-O 3.52Å; V134-L136 PolarHBondContact N-O 3.27Å; V134-L136 CarbonylContact O-C 3.53Å; V134-L136 PolarHBondContact O-N 2.8Å |
| 135 | Y | 55 | Low | 73 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 15% | 0.153 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -68.2 | 21.6 | 171.4 | -61.7 | -59.9 | 0 | 0 | 0 | 112.6 | L167 | Y135-L167 PolarHBondContact O-N 3.21Š|
| 136 | L | 52.8 | Low | 72.6 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.2 | 168.4 | -72.6 | 144.5 | 0 | 0 | 0 | 105.8 | V134 E138 L139 N165 A166 | V134-L136 CarbonylContact C-O 3.52Å; V134-L136 PolarHBondContact N-O 3.27Å; V134-L136 CarbonylContact O-C 3.53Å; V134-L136 PolarHBondContact O-N 2.8Å; L136-E138 VanDerWaalsContact C-N 3.27Å; L136-E138 PolarHBondContact O-N 3.35Å; L136-L139 HydrophobicContact CD1-CB 4.44Å; L136-L139 HydrophobicContact CD1-CD1 4.1Å; L136-L139 HydrophobicContact CD1-CD2 4.2Å; L136-L139 HydrophobicContact CD1-CG 4.49Å; L136-N165 WeakPolarHBondContact CA-O 3.41Å; L136-A166 HydrophobicContact CD2-CB 3.34Å; L136-A166 HydrophobicContact CG-CB 4.22Å |
| 137 | V | 54.7 | Low | 71.8 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 38% | 0.376 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | -42.2 | 179.3 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | A133 S164 N165 F206 | A133-V137 PolarHBondContact N-O 2.76Å; V137-S164 PolarHBondContact N-O 2.81Å; V137-N165 HydrophobicContact CB-CB 3.96Å; V137-N165 HydrophobicContact CG2-CB 3.48Å; V137-N165 VanDerWaalsContact CG2-CB 3.48Å; V137-N165 PolarHBondContact N-O 2.85Å; V137-F206 HydrophobicContact CG2-CZ 4.36Å |
| 138 | E | 62.7 | Low | 71 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 136.5 | 176.8 | -167.2 | 176.4 | 172.7 | 0 | 0 | 108.7 | L136 R140 G163 S164 | L136-E138 VanDerWaalsContact C-N 3.27Å; L136-E138 PolarHBondContact O-N 3.35Å; E138-R140 IonicContact OE1-CZ 2.9Å; E138-R140 VanDerWaalsContact OE1-CZ 3.26Å; E138-R140 IonicContact OE1-NE 3.82Å; E138-R140 PolarHBondContact OE1-NE 3.12Å; E138-R140 IonicContact OE1-NH2 3.46Å; E138-R140 PolarHBondContact OE1-NH2 3.37Å; E138-G163 CarbonylContact O-C 3.45Å; E138-G163 VanDerWaalsContact O-CA 3.32Å; E138-G163 WeakPolarHBondContact O-CA 3.28Å; E138-S164 PolarHBondContact O-N 2.85Å |
| 139 | L | 72.2 | Confident | 69.9 | Low | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118.2 | 174.7 | -178.4 | 70.9 | 0 | 0 | 0 | 109.1 | F131 L136 L161 N162 | F131-L139 HydrophobicContact CB-CB 4.18Å; F131-L139 HydrophobicContact CD2-CB 4.42Å; F131-L139 HydrophobicContact CD2-CD2 3.96Å; F131-L139 HydrophobicContact CD2-CG 4.35Å; F131-L139 PolarHBondContact N-O 2.59Å; F131-L139 PolarHBondContact O-N 2.77Å; L136-L139 HydrophobicContact CD1-CB 4.44Å; L136-L139 HydrophobicContact CD1-CD1 4.1Å; L136-L139 HydrophobicContact CD1-CD2 4.2Å; L136-L139 HydrophobicContact CD1-CG 4.49Å; L139-L161 HydrophobicContact CD1-CD1 3.53Å; L139-L161 HydrophobicContact CD1-CD2 3.84Å; L139-L161 HydrophobicContact CD1-CG 3.49Å; L139-L161 VanDerWaalsContact CD1-CG 3.49Å; L139-L161 HydrophobicContact CD2-CD1 4.02Å; L139-L161 HydrophobicContact CG-CD1 3.72Å; L139-L161 HydrophobicContact CG-CG 4.26Å; L139-N162 CarbonylContact C-O 3.57Å; L139-N162 WeakPolarHBondContact CA-O 3.1Å |
| 140 | R | 78.9 | Confident | 69 | Low | 129 Ų | 129 | 54 Ų | 54 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.4 | 174.1 | -64.8 | -170 | -169.2 | -169.5 | 3.3 | 110.7 | F129 E138 L161 N162 | F129-R140 CarbonylContact O-C 3.51Å; F129-R140 WeakPolarHBondContact O-CA 3.31Å; E138-R140 IonicContact OE1-CZ 2.9Å; E138-R140 VanDerWaalsContact OE1-CZ 3.26Å; E138-R140 IonicContact OE1-NE 3.82Å; E138-R140 PolarHBondContact OE1-NE 3.12Å; E138-R140 IonicContact OE1-NH2 3.46Å; E138-R140 PolarHBondContact OE1-NH2 3.37Å; R140-L161 CarbonylContact O-C 3.53Å; R140-L161 VanDerWaalsContact O-CA 3.28Å; R140-L161 WeakPolarHBondContact O-CA 3.31Å; R140-N162 PolarHBondContact N-O 3.27Å; R140-N162 PolarHBondContact O-N 3.36Å |
| 141 | A | 78.6 | Confident | 68.2 | Low | 15 Ų | 15 | 57.6 Ų | 57.6 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | D128 F129 S160 L161 | D128-A141 CarbonylContact C-O 3.52Å; D128-A141 WeakPolarHBondContact CA-O 3.44Å; F129-A141 HydrophobicContact CB-CB 4.02Å; F129-A141 HydrophobicContact CD2-CB 4.04Å; F129-A141 HydrophobicContact CG-CB 4.42Å; F129-A141 PolarHBondContact N-O 2.83Å; F129-A141 PolarHBondContact O-N 2.75Å; A141-S160 CarbonylContact C-O 3.46Å; A141-S160 WeakPolarHBondContact CA-O 3.4Å; A141-L161 HydrophobicContact CB-CD1 3.43Å; A141-L161 VanDerWaalsContact CB-CD1 3.43Å |
| 142 | N | 80.4 | Confident | 67.7 | Low | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.1 | 168.9 | -170.9 | -52.5 | 0 | 0 | 0 | 108.8 | N126 F127 F159 S160 | N126-N142 VanDerWaalsContact OD1-CG 3.29Å; N126-N142 PolarHBondContact OD1-ND2 3.49Å; N126-N142 PolarHBondContact OD1-OD1 2.99Å; F127-N142 CarbonylContact O-C 3.52Å; F127-N142 VanDerWaalsContact O-CA 3.23Å; F127-N142 WeakPolarHBondContact O-CA 3.4Å; N142-F159 CarbonylContact O-C 3.47Å; N142-F159 WeakPolarHBondContact O-CA 3.32Å; N142-S160 PolarHBondContact N-O 2.72Å; N142-S160 PolarHBondContact O-N 2.73Å |
| 143 | V | 80.1 | Confident | 68 | Low | 41 Ų | 41 | 61.1 Ų | 61.1 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.2 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | N126 F127 F129 T157 F159 | N126-V143 CarbonylContact C-O 3.56Å; N126-V143 WeakPolarHBondContact CA-O 2.85Å; F127-V143 HydrophobicContact CB-CB 4.25Å; F127-V143 HydrophobicContact CD2-CB 4.44Å; F127-V143 PolarHBondContact N-O 3.3Å; F127-V143 PolarHBondContact O-N 3.17Å; F129-V143 HydrophobicContact CE2-CG2 4.28Å; V143-T157 HydrophobicContact CG1-CG2 3.65Å; V143-F159 HydrophobicContact CG2-CB 4.12Å |
| 144 | Y | 80 | Confident | 69.1 | Low | 90 Ų | 90 | 60.4 Ų | 60.4 | 35% | 0.353 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.6 | 179 | 176.7 | -101.6 | 0 | 0 | 0 | 110.1 | T124 V125 P146 T157 T158 | T124-Y144 HydrophobicContact CG2-CE2 4.18Å; T124-Y144 WeakPolarHBondContact CG2-OH 3.02Å; V125-Y144 WeakPolarHBondContact O-CA 3.06Å; Y144-P146 HydrophobicContact CD1-CG 4.31Å; Y144-P146 HydrophobicContact CE1-CB 3.9Å; Y144-P146 HydrophobicContact CE1-CG 3.73Å; Y144-T157 WeakPolarHBondContact O-CA 3.47Å; Y144-T157 WeakPolarHBondContact O-CG2 3.37Å; Y144-T158 PolarHBondContact N-O 3.18Å; Y144-T158 PolarHBondContact O-N 3.02Å |
| 145 | S | 77.6 | Confident | 70.5 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 105.3 | 178.6 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | V125 T157 | V125-S145 PolarHBondContact N-O 3.03Å; V125-S145 PolarHBondContact O-N 3.25Å; S145-T157 PolarHBondContact OG-OG1 3.14Å; S145-T157 VanDerWaalsContact OG-OG1 3.09Å |
| 146 | P | 72.3 | Confident | 71.9 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.9 | 173.8 | 32.6 | -29 | 0 | 0 | 0 | 111.5 | T124 Y144 C156 | T124-P146 HydrophobicContact CG2-CB 4.1Å; Y144-P146 HydrophobicContact CD1-CG 4.31Å; Y144-P146 HydrophobicContact CE1-CB 3.9Å; Y144-P146 HydrophobicContact CE1-CG 3.73Å; P146-C156 WeakPolarHBondContact CD-O 3.33Å |
| 147 | S | 70.4 | Confident | 73.4 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 71.4 | 166.6 | 162.4 | 0 | 0 | 0 | 0 | 108.4 | P122 Y123 | P122-S147 CarbonylContact C-O 3.38Å; P122-S147 WeakPolarHBondContact CA-O 3.2Å; Y123-S147 WeakPolarHBondContact CE1-OG 3.32Å; Y123-S147 PolarHBondContact N-O 3.42Å; Y123-S147 CarbonylContact O-C 3.55Å; Y123-S147 WeakPolarHBondContact O-CA 3.36Å; Y123-S147 PolarHBondContact O-N 2.89Å |
| 148 | S | 66.8 | Low | 75.1 | Confident | 70 Ų | 70 | 59 Ų | 59 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | trans | -91 | -19 | -173.5 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 149 | M | 65.6 | Low | 76.4 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 59% | 0.591 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -125.2 | 138.4 | -171.9 | -79.4 | -172.2 | 176.5 | 0 | 0 | 112.3 | F120 C152 | F120-M149 VanDerWaalsContact CZ-C 3.47Å; M149-C152 WeakPolarHBondContact CB-SG 3.05Å; M149-C152 VanDerWaalsContact SD-SG 3.69Å |
| 150 | Y | 66 | Low | 77.3 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 125.2 | 174.8 | -176.5 | -105.8 | 0 | 0 | 0 | 109.6 | N115 I117 F120 C152 | N115-Y150 HydrophobicContact CB-CE2 4.17Å; N115-Y150 WeakPolarHBondContact O-CE2 3.16Å; N115-Y150 VanDerWaalsContact O-CZ 3.29Å; N115-Y150 PolarHBondContact O-OH 2.93Å; I117-Y150 HydrophobicContact CB-CE1 4.07Å; I117-Y150 HydrophobicContact CB-CE2 4.27Å; I117-Y150 HydrophobicContact CD1-CD1 4.27Å; I117-Y150 HydrophobicContact CD1-CE1 4.34Å; I117-Y150 HydrophobicContact CG1-CD1 4.19Å; I117-Y150 HydrophobicContact CG1-CE1 4.18Å; I117-Y150 HydrophobicContact CG1-CG 4.4Å; I117-Y150 PolarHBondContact N-OH 3.44Å; F120-Y150 HydrophobicContact CB-CD2 3.63Å; F120-Y150 HydrophobicContact CB-CE2 4.08Å; F120-Y150 HydrophobicContact CD1-CD2 4.08Å; F120-Y150 HydrophobicContact CD1-CG 4.46Å; F120-Y150 AromaticContact CD2-CD2 3.93Å; F120-Y150 HydrophobicContact CD2-CD2 3.93Å; F120-Y150 AromaticContact CG-CD2 3.6Å; F120-Y150 HydrophobicContact CG-CD2 3.6Å; F120-Y150 HydrophobicContact CG-CE2 4.47Å; F120-Y150 HydrophobicContact CG-CG 4.4Å; Y150-C152 PolarHBondContact O-N 3.25Å |
| 151 | S | 66.5 | Low | 77.7 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 43.3 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 152 | C | 68.2 | Low | 78.2 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 22% | 0.223 | 32% | 0.32 | C | S | . | . | trans | -65.5 | 138.1 | 167.5 | -86.8 | 0 | 0 | 0 | 0 | 111.6 | M149 Y150 T154 K233 | M149-C152 WeakPolarHBondContact CB-SG 3.05Å; M149-C152 VanDerWaalsContact SD-SG 3.69Å; Y150-C152 PolarHBondContact O-N 3.25Å; C152-T154 VanDerWaalsContact C-N 3.26Å; C152-T154 PolarHBondContact O-N 2.63Å; C152-K233 WeakPolarHBondContact O-CB 3.12Å; C152-K233 WeakPolarHBondContact O-CD 3.31Å | ||
| 153 | E | 73.9 | Confident | 78.4 | Confident | 171 Ų | 171 | 56.2 Ų | 56.2 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -62.7 | -35.8 | 171.5 | -67.9 | -177.6 | 167.4 | 0 | 0 | 111.4 | H232 K233 | E153-H232 WeakPolarHBondContact O-CA 3.15Å; E153-K233 PolarHBondContact O-N 2.87Å |
| 154 | T | 78.2 | Confident | 78.5 | Confident | 42 Ų | 42 | 56 Ų | 56 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 140.9 | 176.2 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | C152 Q230 F231 H232 | C152-T154 VanDerWaalsContact C-N 3.26Å; C152-T154 PolarHBondContact O-N 2.63Å; T154-Q230 HydrophobicContact CG2-CG 4.46Å; T154-Q230 PolarHBondContact OG1-NE2 2.64Å; T154-Q230 VanDerWaalsContact OG1-NE2 3.09Å; T154-F231 CarbonylContact C-O 3.5Å; T154-F231 VanDerWaalsContact CA-O 3.24Å; T154-F231 WeakPolarHBondContact CA-O 3.3Å; T154-H232 VanDerWaalsContact CG2-CD2 3.47Å; T154-H232 WeakPolarHBondContact CG2-CD2 3.45Å; T154-H232 WeakPolarHBondContact CG2-NE2 3.19Å |
| 155 | D | 79.8 | Confident | 78.5 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 161.8 | 168.2 | -97 | 23.4 | 0 | 0 | 0 | 110.7 | Q230 F231 K233 | D155-Q230 CarbonylContact O-C 3.57Å; D155-Q230 WeakPolarHBondContact O-CA 3.33Å; D155-F231 HydrophobicContact CB-CD1 4.41Å; D155-F231 HydrophobicContact CB-CE1 3.73Å; D155-F231 HydrophobicContact CB-CE2 4.04Å; D155-F231 HydrophobicContact CB-CZ 3.51Å; D155-F231 PolarHBondContact N-O 3.5Å; D155-F231 PolarHBondContact O-N 2.9Å; D155-K233 WeakPolarHBondContact OD1-CE 3.33Å; D155-K233 IonicContact OD1-NZ 3.09Å; D155-K233 PolarHBondContact OD1-NZ 2.92Å; D155-K233 WeakPolarHBondContact OD2-CE 3.45Å; D155-K233 IonicContact OD2-NZ 3.15Å; D155-K233 PolarHBondContact OD2-NZ 3.3Å |
| 156 | C | 83.8 | Confident | 78.5 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 118.5 | -175.9 | 165.4 | 0 | 0 | 0 | 0 | 111.8 | P146 K228 Y229 | P146-C156 WeakPolarHBondContact CD-O 3.33Å; C156-K228 WeakPolarHBondContact SG-CE 3.41Å; C156-K228 WeakPolarHBondContact SG-CG 3.36Å; C156-Y229 CarbonylContact C-O 3.54Å; C156-Y229 WeakPolarHBondContact CA-O 3.45Å |
| 157 | T | 85.6 | Confident | 78.7 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.5 | 172.9 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | V143 Y144 S145 K228 Y229 | V143-T157 HydrophobicContact CG1-CG2 3.65Å; Y144-T157 WeakPolarHBondContact O-CA 3.47Å; Y144-T157 WeakPolarHBondContact O-CG2 3.37Å; S145-T157 PolarHBondContact OG-OG1 3.14Å; S145-T157 VanDerWaalsContact OG-OG1 3.09Å; T157-K228 CarbonylContact O-C 3.51Å; T157-K228 WeakPolarHBondContact O-CA 3.29Å; T157-Y229 PolarHBondContact N-O 3.22Å; T157-Y229 PolarHBondContact O-N 2.97Å |
| 158 | T | 89.4 | Confident | 79.1 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.9 | 174.3 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | Y144 G227 K228 | Y144-T158 PolarHBondContact N-O 3.18Å; Y144-T158 PolarHBondContact O-N 3.02Å; T158-G227 CarbonylContact C-O 3.47Å; T158-G227 WeakPolarHBondContact CA-O 3.34Å; T158-K228 HydrophobicContact CG2-CB 4.29Å; T158-K228 HydrophobicContact CG2-CG 4.07Å |
| 159 | F | 89.7 | Confident | 79.6 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.3 | 176.6 | 58.2 | -90.4 | 0 | 0 | 0 | 111.9 | N142 V143 I225 T226 G227 L258 L260 | N142-F159 CarbonylContact O-C 3.47Å; N142-F159 WeakPolarHBondContact O-CA 3.32Å; V143-F159 HydrophobicContact CG2-CB 4.12Å; F159-I225 HydrophobicContact CE2-CG2 4.2Å; F159-T226 CarbonylContact O-C 3.43Å; F159-T226 WeakPolarHBondContact O-CA 3.34Å; F159-G227 PolarHBondContact N-O 3.44Å; F159-G227 PolarHBondContact O-N 3.42Å; F159-L258 HydrophobicContact CE1-CD1 4.19Å; F159-L258 HydrophobicContact CZ-CD1 4.2Å; F159-L260 HydrophobicContact CE2-CD1 4.48Å; F159-L260 HydrophobicContact CZ-CD1 4.39Å |
| 160 | S | 91 | Very high | 80.1 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.2 | 173.2 | 68.4 | 0 | 0 | 0 | 0 | 111 | A141 N142 I225 | A141-S160 CarbonylContact C-O 3.46Å; A141-S160 WeakPolarHBondContact CA-O 3.4Å; N142-S160 PolarHBondContact N-O 2.72Å; N142-S160 PolarHBondContact O-N 2.73Å; S160-I225 CarbonylContact C-O 3.51Å; S160-I225 VanDerWaalsContact CA-O 3.23Å; S160-I225 WeakPolarHBondContact CA-O 3.06Å |
| 161 | L | 87.9 | Confident | 80.6 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.3 | 178.2 | -170.8 | 77.3 | 0 | 0 | 0 | 109.6 | L139 R140 A141 L223 V224 I225 | L139-L161 HydrophobicContact CD1-CD1 3.53Å; L139-L161 HydrophobicContact CD1-CD2 3.84Å; L139-L161 HydrophobicContact CD1-CG 3.49Å; L139-L161 VanDerWaalsContact CD1-CG 3.49Å; L139-L161 HydrophobicContact CD2-CD1 4.02Å; L139-L161 HydrophobicContact CG-CD1 3.72Å; L139-L161 HydrophobicContact CG-CG 4.26Å; R140-L161 CarbonylContact O-C 3.53Å; R140-L161 VanDerWaalsContact O-CA 3.28Å; R140-L161 WeakPolarHBondContact O-CA 3.31Å; A141-L161 HydrophobicContact CB-CD1 3.43Å; A141-L161 VanDerWaalsContact CB-CD1 3.43Å; L161-L223 HydrophobicContact CD2-CD2 4.22Å; L161-V224 CarbonylContact O-C 3.6Å; L161-V224 WeakPolarHBondContact O-CA 3.38Å; L161-I225 HydrophobicContact CB-CB 3.9Å; L161-I225 HydrophobicContact CB-CG1 4.27Å; L161-I225 HydrophobicContact CD2-CD1 3.66Å; L161-I225 HydrophobicContact CD2-CG1 4.12Å; L161-I225 PolarHBondContact N-O 3.18Å; L161-I225 PolarHBondContact O-N 3.13Å |
| 162 | N | 89.1 | Confident | 81 | Confident | 82 Ų | 82 | 42.4 Ų | 42.4 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 113.7 | 175.9 | -68.9 | -21.5 | 0 | 0 | 0 | 109.6 | L139 R140 L223 V224 | L139-N162 CarbonylContact C-O 3.57Å; L139-N162 WeakPolarHBondContact CA-O 3.1Å; R140-N162 PolarHBondContact N-O 3.27Å; R140-N162 PolarHBondContact O-N 3.36Å; N162-L223 CarbonylContact C-O 3.51Å; N162-L223 WeakPolarHBondContact CA-O 3.27Å; N162-V224 WeakPolarHBondContact OD1-CG1 3.45Å |
| 163 | G | 83.7 | Confident | 81.3 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E138 Q222 L223 | E138-G163 CarbonylContact O-C 3.45Å; E138-G163 VanDerWaalsContact O-CA 3.32Å; E138-G163 WeakPolarHBondContact O-CA 3.28Å; G163-Q222 WeakPolarHBondContact O-CA 3.04Å; G163-L223 PolarHBondContact N-O 3.33Å; G163-L223 PolarHBondContact O-N 3.01Å |
| 164 | S | 83.3 | Confident | 81.3 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 26% | 0.259 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.3 | 168.8 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | V137 E138 K221 | V137-S164 PolarHBondContact N-O 2.81Å; E138-S164 PolarHBondContact O-N 2.85Å; S164-K221 CarbonylContact C-O 3.59Å; S164-K221 WeakPolarHBondContact CA-O 3.27Å |
| 165 | N | 79.5 | Confident | 81.1 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 24% | 0.235 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 69.7 | 178.5 | -61.4 | -41.6 | 0 | 0 | 0 | 113.2 | L136 V137 F201 A220 K221 | L136-N165 WeakPolarHBondContact CA-O 3.41Å; V137-N165 HydrophobicContact CB-CB 3.96Å; V137-N165 HydrophobicContact CG2-CB 3.48Å; V137-N165 VanDerWaalsContact CG2-CB 3.48Å; V137-N165 PolarHBondContact N-O 2.85Å; N165-F201 HydrophobicContact CB-CD1 3.53Å; N165-F201 HydrophobicContact CB-CE1 3.58Å; N165-F201 WeakPolarHBondContact OD1-CD1 3.27Å; N165-F201 WeakPolarHBondContact OD1-CE1 3.36Å; N165-A220 CarbonylContact C-O 3.58Å; N165-A220 VanDerWaalsContact CA-O 3.28Å; N165-A220 WeakPolarHBondContact CA-O 3.5Å; N165-K221 PolarHBondContact N-O 2.83Å |
| 166 | A | 78.1 | Confident | 80.9 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L136 A219 A220 | L136-A166 HydrophobicContact CD2-CB 3.34Å; L136-A166 HydrophobicContact CG-CB 4.22Å; A166-A219 CarbonylContact O-C 3.39Å; A166-A219 WeakPolarHBondContact O-CA 3.34Å; A166-A220 HydrophobicContact CB-CB 4.27Å; A166-A220 PolarHBondContact N-O 2.92Å; A166-A220 PolarHBondContact O-N 3.42Å |
| 167 | L | 77 | Confident | 80.5 | Confident | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121 | 172.3 | -174.7 | 66.8 | 0 | 0 | 0 | 110.9 | Y135 R169 M196 F206 W218 A219 | Y135-L167 PolarHBondContact O-N 3.21Å; L167-R169 HydrophobicContact CD2-CG 4.24Å; L167-R169 VanDerWaalsContact CD2-NH2 3.32Å; L167-R169 HydrophobicContact CG-CG 4.12Å; L167-M196 HydrophobicContact CD1-CE 3.62Å; L167-F206 HydrophobicContact CD2-CD1 4.26Å; L167-W218 CarbonylContact C-O 3.24Å; L167-W218 WeakPolarHBondContact CA-O 3.21Å; L167-A219 HydrophobicContact CD1-CB 4.03Å |
| 168 | M | 78.9 | Confident | 80.1 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126 | 170.6 | -167.5 | 177 | 78.2 | 0 | 0 | 110 | C217 W218 L279 | M168-C217 HydrophobicContact CE-CB 3.96Å; M168-C217 PolarHBondContact O-N 2.85Å; M168-W218 HydrophobicContact CB-CB 3.91Å; M168-W218 HydrophobicContact CE-CB 4.02Å; M168-W218 HydrophobicContact CE-CE3 4.21Å; M168-W218 PolarHBondContact N-O 2.89Å; M168-W218 PolarHBondContact O-N 2.93Å; M168-W218 HydrophobicContact SD-CE3 4.27Å; M168-L279 HydrophobicContact SD-CD2 4.28Å |
| 169 | R | 76.3 | Confident | 79.4 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.8 | 174.9 | -59.7 | -177 | 172.8 | 172.1 | 0 | 110.7 | L167 W214 I215 N216 | L167-R169 HydrophobicContact CD2-CG 4.24Å; L167-R169 VanDerWaalsContact CD2-NH2 3.32Å; L167-R169 HydrophobicContact CG-CG 4.12Å; R169-W214 HydrophobicContact CB-CE3 3.68Å; R169-W214 HydrophobicContact CB-CZ3 4.3Å; R169-I215 CarbonylContact C-O 3.46Å; R169-I215 WeakPolarHBondContact CA-O 3.14Å; R169-I215 WeakPolarHBondContact CB-O 3.3Å; R169-N216 WeakPolarHBondContact CD-OD1 3.18Å; R169-N216 WeakPolarHBondContact CG-OD1 3.3Å; R169-N216 PolarHBondContact NE-OD1 2.94Å |
| 170 | V | 76.6 | Confident | 78.5 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.3 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | L172 I215 C217 F274 T275 | V170-L172 HydrophobicContact CG1-CD2 4.42Å; V170-L172 HydrophobicContact CG1-CG 4.49Å; V170-I215 PolarHBondContact N-O 2.85Å; V170-I215 PolarHBondContact O-N 3.18Å; V170-C217 HydrophobicContact CG2-CB 4.49Å; V170-F274 HydrophobicContact CB-CD2 4.32Å; V170-F274 HydrophobicContact CB-CE2 4.12Å; V170-F274 HydrophobicContact CG1-CD2 3.9Å; V170-F274 HydrophobicContact CG1-CE2 4.12Å; V170-T275 HydrophobicContact CG2-CG2 4.4Å |
| 171 | H | 76.1 | Confident | 77.6 | Confident | 63 Ų | 63 | 32.6 Ų | 32.6 | 29% | 0.292 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.3 | 172.4 | 173.9 | -82.2 | 0 | 0 | 0 | 109.6 | W214 | H171-W214 HydrophobicContact CB-CD2 3.61Å; H171-W214 HydrophobicContact CB-CE3 3.59Å; H171-W214 HydrophobicContact CB-CG 4.34Å; H171-W214 HydrophobicContact CB-CH2 3.8Å; H171-W214 HydrophobicContact CB-CZ2 3.76Å; H171-W214 HydrophobicContact CB-CZ3 3.7Å; H171-W214 AromaticContact CD2-NE1 3.85Å |
| 172 | L | 74.7 | Confident | 76.4 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | trans | -99.5 | 120.4 | 175.4 | -65.3 | 170.4 | 0 | 0 | 0 | 108.6 | V170 Y179 A182 I215 F274 | V170-L172 HydrophobicContact CG1-CD2 4.42Å; V170-L172 HydrophobicContact CG1-CG 4.49Å; L172-Y179 HydrophobicContact CB-CD2 4.26Å; L172-Y179 WeakPolarHBondContact O-CD2 3.23Å; L172-A182 HydrophobicContact CD1-CB 3.94Å; L172-I215 HydrophobicContact CD1-CD1 4Å; L172-F274 HydrophobicContact CD1-CD1 3.82Å; L172-F274 HydrophobicContact CD1-CD2 4.29Å; L172-F274 HydrophobicContact CD1-CE1 3.87Å; L172-F274 HydrophobicContact CD1-CE2 4.35Å; L172-F274 HydrophobicContact CD1-CG 4.03Å; L172-F274 HydrophobicContact CD1-CZ 4.15Å; L172-F274 HydrophobicContact CD2-CB 4.31Å; L172-F274 HydrophobicContact CD2-CD2 4.46Å; L172-F274 HydrophobicContact CD2-CG 4.29Å | ||
| 173 | P | 75.7 | Confident | 75 | Confident | 32 Ų | 32 | 28 Ų | 28 | 21% | 0.208 | 15% | 0.145 | C | C | . | . | trans | -67 | 150 | 173.7 | 26.8 | -29.7 | 0 | 0 | 0 | 110.2 | Q175 H176 Y179 | P173-Q175 PolarHBondContact O-N 3.04Å; P173-H176 HydrophobicContact CG-CB 4.1Å; P173-H176 WeakPolarHBondContact O-CB 3.49Å; P173-H176 PolarHBondContact O-N 3.35Å; P173-Y179 WeakPolarHBondContact O-CB 3.31Å | ||
| 174 | E | 72.5 | Confident | 73.4 | Confident | 104 Ų | 104 | 30.6 Ų | 30.6 | 49% | 0.486 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.3 | -178.1 | -60 | -177.5 | 173.2 | 0 | 0 | 114.5 | H176 Y179 | E174-H176 VanDerWaalsContact C-N 3.34Å; E174-Y179 HydrophobicContact CB-CD1 4.2Å; E174-Y179 HydrophobicContact CB-CE1 4.08Å; E174-Y179 HydrophobicContact CG-CD1 4.45Å; E174-Y179 HydrophobicContact CG-CE1 3.91Å; E174-Y179 HydrophobicContact CG-CE2 4.19Å |
| 175 | Q | 73.9 | Confident | 71.9 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.5 | -179.3 | -52 | 173.3 | -11.9 | 0 | 0 | 113.1 | P173 | P173-Q175 PolarHBondContact O-N 3.04Š|
| 176 | H | 75.6 | Confident | 70.6 | Confident | 16 Ų | 16 | 30 Ų | 30 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -79.2 | 138.6 | -179 | -160 | -65.2 | 0 | 0 | 0 | 109.9 | P173 E174 Y178 Y179 E465 | P173-H176 HydrophobicContact CG-CB 4.1Å; P173-H176 WeakPolarHBondContact O-CB 3.49Å; P173-H176 PolarHBondContact O-N 3.35Å; E174-H176 VanDerWaalsContact C-N 3.34Å; H176-Y178 AromaticContact CE1-CD2 3.07Å; H176-Y178 WeakPolarHBondContact CE1-CD2 3.41Å; H176-Y178 AromaticContact CE1-CE2 3.7Å; H176-Y178 AromaticContact CE1-CG 3.82Å; H176-Y178 AromaticContact ND1-CD2 3.59Å; H176-Y178 AromaticContact ND1-CG 3.87Å; H176-Y178 PolarHBondContact ND1-N 3Å; H176-Y178 VanDerWaalsContact ND1-N 3.14Å; H176-Y178 PolarHBondContact O-N 3.23Å; H176-Y179 WeakPolarHBondContact O-CB 3.18Å; H176-Y179 PolarHBondContact O-N 2.97Å; H176-E465 IonicContact CD2-OE2 2.61Å; H176-E465 VanDerWaalsContact CE1-CG 3.41Å; H176-E465 WeakPolarHBondContact CE1-CG 3.43Å; H176-E465 IonicContact ND1-OE1 3.69Å; H176-E465 IonicContact NE2-OE2 3.08Å |
| 177 | T | 76.1 | Confident | 69.2 | Low | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 176.6 | 46.3 | 0 | 0 | 0 | 0 | 112 | Y179 A180 F181 E464 E465 F912 | T177-Y179 PolarHBondContact O-N 2.72Å; T177-Y179 VanDerWaalsContact O-N 3.13Å; T177-A180 WeakPolarHBondContact O-CB 3.07Å; T177-A180 PolarHBondContact O-N 3.23Å; T177-F181 VanDerWaalsContact O-CD2 3.31Å; T177-F181 WeakPolarHBondContact O-CD2 3.45Å; T177-E464 HydrophobicContact CG2-CB 4.25Å; T177-E465 WeakPolarHBondContact CB-OE1 3.47Å; T177-E465 VanDerWaalsContact CG2-OE1 3.24Å; T177-E465 WeakPolarHBondContact CG2-OE1 3.28Å; T177-E465 PolarHBondContact N-OE1 3.19Å; T177-E465 WeakPolarHBondContact OG1-CG 3.42Å; T177-E465 PolarHBondContact OG1-OE1 2.96Å; T177-F912 HydrophobicContact CG2-CZ 4.49Å |
| 178 | Y | 76.6 | Confident | 67.8 | Low | 9 Ų | 9 | 35.3 Ų | 35.3 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.6 | -22.1 | 169.5 | -58.8 | -49.1 | 0 | 0 | 0 | 116.5 | H176 A180 F181 A182 F274 L459 | H176-Y178 AromaticContact CE1-CD2 3.07Å; H176-Y178 WeakPolarHBondContact CE1-CD2 3.41Å; H176-Y178 AromaticContact CE1-CE2 3.7Å; H176-Y178 AromaticContact CE1-CG 3.82Å; H176-Y178 AromaticContact ND1-CD2 3.59Å; H176-Y178 AromaticContact ND1-CG 3.87Å; H176-Y178 PolarHBondContact ND1-N 3Å; H176-Y178 VanDerWaalsContact ND1-N 3.14Å; H176-Y178 PolarHBondContact O-N 3.23Å; Y178-A180 VanDerWaalsContact C-N 3.27Å; Y178-A180 PolarHBondContact O-N 2.65Å; Y178-F181 AromaticContact CD1-CD2 3.87Å; Y178-F181 HydrophobicContact CD1-CD2 3.87Å; Y178-F181 CarbonylContact O-C 3.51Å; Y178-F181 WeakPolarHBondContact O-CA 3.14Å; Y178-F181 PolarHBondContact O-N 2.86Å; Y178-A182 WeakPolarHBondContact O-CB 3.35Å; Y178-A182 PolarHBondContact O-N 3.47Å; Y178-F274 HydrophobicContact CD2-CB 3.59Å; Y178-F274 HydrophobicContact CE2-CB 4.16Å; Y178-F274 HydrophobicContact CG-CB 4.06Å; Y178-F274 HydrophobicContact CG-CD1 4.42Å; Y178-L459 HydrophobicContact CE1-CB 4.2Å; Y178-L459 HydrophobicContact CE1-CD2 4.32Å; Y178-L459 PolarHBondContact OH-O 3.19Å |
| 179 | Y | 75.6 | Confident | 66.6 | Low | 46 Ų | 46 | 33.1 Ų | 33.1 | 18% | 0.18 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | 173.4 | -174.3 | -95.3 | 0 | 0 | 0 | 111.5 | L172 P173 E174 H176 T177 F181 A182 C213 | L172-Y179 HydrophobicContact CB-CD2 4.26Å; L172-Y179 WeakPolarHBondContact O-CD2 3.23Å; P173-Y179 WeakPolarHBondContact O-CB 3.31Å; E174-Y179 HydrophobicContact CB-CD1 4.2Å; E174-Y179 HydrophobicContact CB-CE1 4.08Å; E174-Y179 HydrophobicContact CG-CD1 4.45Å; E174-Y179 HydrophobicContact CG-CE1 3.91Å; E174-Y179 HydrophobicContact CG-CE2 4.19Å; H176-Y179 WeakPolarHBondContact O-CB 3.18Å; H176-Y179 PolarHBondContact O-N 2.97Å; T177-Y179 PolarHBondContact O-N 2.72Å; T177-Y179 VanDerWaalsContact O-N 3.13Å; Y179-F181 PolarHBondContact O-N 3.47Å; Y179-A182 PolarHBondContact O-N 3.48Å; Y179-C213 HydrophobicContact CE2-CB 4.39Å |
| 180 | A | 71.3 | Confident | 65.7 | Low | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.2 | -23.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T177 Y178 | T177-A180 WeakPolarHBondContact O-CB 3.07Å; T177-A180 PolarHBondContact O-N 3.23Å; Y178-A180 VanDerWaalsContact C-N 3.27Å; Y178-A180 PolarHBondContact O-N 2.65Å |
| 181 | F | 70.8 | Confident | 64.7 | Low | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -89.5 | -12.3 | 178.1 | -59.1 | -61 | 0 | 0 | 0 | 113 | T177 Y178 Y179 C342 L459 V909 F912 | T177-F181 VanDerWaalsContact O-CD2 3.31Å; T177-F181 WeakPolarHBondContact O-CD2 3.45Å; Y178-F181 AromaticContact CD1-CD2 3.87Å; Y178-F181 HydrophobicContact CD1-CD2 3.87Å; Y178-F181 CarbonylContact O-C 3.51Å; Y178-F181 WeakPolarHBondContact O-CA 3.14Å; Y178-F181 PolarHBondContact O-N 2.86Å; Y179-F181 PolarHBondContact O-N 3.47Å; F181-C342 WeakPolarHBondContact O-CB 3.4Å; F181-C342 PolarHBondContact O-N 3.02Å; F181-L459 HydrophobicContact CD2-CD2 4.16Å; F181-L459 HydrophobicContact CE2-CD2 4.05Å; F181-L459 HydrophobicContact CZ-CD2 4.26Å; F181-V909 HydrophobicContact CD1-CG2 3.78Å; F181-V909 HydrophobicContact CE1-CG2 3.73Å; F181-F912 HydrophobicContact CE2-CD1 4.27Å; F181-F912 HydrophobicContact CE2-CE1 4.14Å; F181-F912 HydrophobicContact CZ-CB 4.49Å; F181-F912 AromaticContact CZ-CD1 3.7Å; F181-F912 HydrophobicContact CZ-CD1 3.7Å; F181-F912 AromaticContact CZ-CE1 4Å; F181-F912 HydrophobicContact CZ-CE1 4Å; F181-F912 AromaticContact CZ-CG 4Å; F181-F912 HydrophobicContact CZ-CG 4Å |
| 182 | A | 64.2 | Low | 64 | Low | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -113 | 131.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L172 Y178 Y179 I215 F274 | L172-A182 HydrophobicContact CD1-CB 3.94Å; Y178-A182 WeakPolarHBondContact O-CB 3.35Å; Y178-A182 PolarHBondContact O-N 3.47Å; Y179-A182 PolarHBondContact O-N 3.48Å; A182-I215 HydrophobicContact CB-CD1 3.85Å; A182-F274 HydrophobicContact CB-CE1 4.49Å |
| 183 | S | 58.9 | Low | 63.4 | Low | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | trans | -84 | 146.8 | 174.7 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | D185 Y186 | S183-D185 PolarHBondContact O-N 3.14Å; S183-Y186 PolarHBondContact O-N 2.89Å; S183-Y186 PolarHBondContact OG-N 3.06Å | ||
| 184 | S | 50.3 | Low | 63 | Low | 58 Ų | 58 | 39.4 Ų | 39.4 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.2 | 171.6 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 185 | D | 51.9 | Low | 62.8 | Low | 64 Ų | 64 | 34.6 Ų | 34.6 | 34% | 0.342 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 11.5 | -175.3 | -68.1 | -4.3 | 0 | 0 | 0 | 113.5 | S183 T187 L188 A189 | S183-D185 PolarHBondContact O-N 3.14Å; D185-T187 PolarHBondContact O-N 2.85Å; D185-T187 VanDerWaalsContact O-N 3.09Å; D185-L188 HydrophobicContact CB-CD1 4.14Å; D185-L188 WeakPolarHBondContact O-CA 3.28Å; D185-L188 VanDerWaalsContact O-CB 3.31Å; D185-L188 WeakPolarHBondContact O-CB 3.39Å; D185-L188 PolarHBondContact O-N 3.21Å; D185-A189 PolarHBondContact O-N 3.11Å |
| 186 | Y | 52.2 | Low | 62.6 | Low | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -58.7 | -26 | -179.4 | -171.8 | -95.8 | 0 | 0 | 0 | 113.9 | S183 L188 A189 T192 I215 V270 M272 C342 | S183-Y186 PolarHBondContact O-N 2.89Å; S183-Y186 PolarHBondContact OG-N 3.06Å; Y186-L188 PolarHBondContact O-N 3.34Å; Y186-A189 WeakPolarHBondContact O-CB 3.32Å; Y186-A189 PolarHBondContact O-N 3.34Å; Y186-T192 HydrophobicContact CD1-CG2 4.13Å; Y186-T192 HydrophobicContact CE1-CG2 3.45Å; Y186-T192 VanDerWaalsContact CE1-CG2 3.45Å; Y186-T192 HydrophobicContact CE2-CG2 3.91Å; Y186-T192 PolarHBondContact O-OG1 2.91Å; Y186-T192 VanDerWaalsContact O-OG1 3.08Å; Y186-T192 WeakPolarHBondContact OH-CG2 3.18Å; Y186-I215 HydrophobicContact CD1-CG2 3.46Å; Y186-I215 VanDerWaalsContact CD1-CG2 3.46Å; Y186-I215 HydrophobicContact CE1-CG2 3.73Å; Y186-I215 HydrophobicContact CG-CG2 4.32Å; Y186-V270 HydrophobicContact CE1-CG1 4.18Å; Y186-V270 WeakPolarHBondContact OH-CG1 3.43Å; Y186-M272 HydrophobicContact CE2-SD 4.12Å; Y186-M272 PolarHBondContact OH-SD 3.28Å; Y186-C342 HydrophobicContact CD2-CB 3.67Å; Y186-C342 WeakPolarHBondContact CD2-SG 3.34Å; Y186-C342 HydrophobicContact CE2-CB 4.11Å; Y186-C342 VanDerWaalsContact CE2-SG 3.51Å |
| 187 | T | 48.2 | Very low | 62 | Low | 56 Ų | 56 | 34.9 Ų | 34.9 | 34% | 0.344 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -66.5 | -17.3 | 172.4 | 52.6 | 0 | 0 | 0 | 0 | 113 | D185 W214 | D185-T187 PolarHBondContact O-N 2.85Å; D185-T187 VanDerWaalsContact O-N 3.09Å; T187-W214 WeakPolarHBondContact CG2-O 3.21Å |
| 188 | L | 47.7 | Very low | 61.4 | Low | 92 Ų | 92 | 37.4 Ų | 37.4 | 48% | 0.482 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -101.4 | -6 | 179.6 | -65.6 | 150.9 | 0 | 0 | 0 | 113.3 | D185 Y186 E190 R193 | D185-L188 HydrophobicContact CB-CD1 4.14Å; D185-L188 WeakPolarHBondContact O-CA 3.28Å; D185-L188 VanDerWaalsContact O-CB 3.31Å; D185-L188 WeakPolarHBondContact O-CB 3.39Å; D185-L188 PolarHBondContact O-N 3.21Å; Y186-L188 PolarHBondContact O-N 3.34Å; L188-E190 PolarHBondContact O-N 3.26Å; L188-R193 VanDerWaalsContact CA-NH2 3.27Å; L188-R193 PolarHBondContact O-NE 3.23Å; L188-R193 PolarHBondContact O-NH1 3.4Å; L188-R193 PolarHBondContact O-NH2 3.23Å |
| 189 | A | 53.6 | Low | 60.9 | Low | 10 Ų | 10 | 37.3 Ų | 37.3 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | trans | -58.1 | 131.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D185 Y186 S191 T192 R193 E345 | D185-A189 PolarHBondContact O-N 3.11Å; Y186-A189 WeakPolarHBondContact O-CB 3.32Å; Y186-A189 PolarHBondContact O-N 3.34Å; A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 2.87Å; A189-T192 HydrophobicContact CB-CG2 4.09Å; A189-T192 WeakPolarHBondContact CB-OG1 2.99Å; A189-T192 PolarHBondContact O-N 3.01Å; A189-T192 PolarHBondContact O-OG1 3.1Å; A189-R193 WeakPolarHBondContact O-CB 3.32Å; A189-R193 WeakPolarHBondContact O-CG 3.12Å; A189-R193 PolarHBondContact O-N 3.44Å; A189-E345 VanDerWaalsContact CA-OE2 3.26Å; A189-E345 WeakPolarHBondContact CA-OE2 3.39Å; A189-E345 VanDerWaalsContact CB-OE1 3.28Å; A189-E345 WeakPolarHBondContact CB-OE1 3.32Å; A189-E345 WeakPolarHBondContact CB-OE2 3.3Å | ||
| 190 | E | 56.5 | Low | 60 | Low | 79 Ų | 79 | 41.5 Ų | 41.5 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -34.4 | -174.7 | -81.4 | 173.9 | 167.8 | 0 | 0 | 111.7 | L188 F194 E345 | L188-E190 PolarHBondContact O-N 3.26Å; E190-F194 VanDerWaalsContact O-CB 3.25Å; E190-F194 WeakPolarHBondContact O-CB 3.09Å; E190-F194 PolarHBondContact O-N 2.8Å; E190-E345 PolarHBondContact N-OE2 2.88Å |
| 191 | S | 55.5 | Low | 59.6 | Low | 15 Ų | 15 | 43.3 Ų | 43.3 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | 179.8 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | A189 F194 V195 E345 K353 | A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 2.87Å; S191-F194 PolarHBondContact O-N 2.93Å; S191-V195 PolarHBondContact O-N 2.8Å; S191-V195 VanDerWaalsContact O-N 3.15Å; S191-E345 PolarHBondContact OG-OE1 2.95Å; S191-K353 PolarHBondContact OG-NZ 3.11Å |
| 192 | T | 61.9 | Low | 58.6 | Low | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.3 | -39.2 | 176.7 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | Y186 A189 F194 V195 M196 V270 L337 | Y186-T192 HydrophobicContact CD1-CG2 4.13Å; Y186-T192 HydrophobicContact CE1-CG2 3.45Å; Y186-T192 VanDerWaalsContact CE1-CG2 3.45Å; Y186-T192 HydrophobicContact CE2-CG2 3.91Å; Y186-T192 PolarHBondContact O-OG1 2.91Å; Y186-T192 VanDerWaalsContact O-OG1 3.08Å; Y186-T192 WeakPolarHBondContact OH-CG2 3.18Å; A189-T192 HydrophobicContact CB-CG2 4.09Å; A189-T192 WeakPolarHBondContact CB-OG1 2.99Å; A189-T192 PolarHBondContact O-N 3.01Å; A189-T192 PolarHBondContact O-OG1 3.1Å; T192-F194 VanDerWaalsContact C-N 3.3Å; T192-F194 PolarHBondContact O-N 2.61Å; T192-V195 PolarHBondContact O-N 2.86Å; T192-M196 VanDerWaalsContact O-CB 3.23Å; T192-M196 WeakPolarHBondContact O-CB 3.42Å; T192-M196 WeakPolarHBondContact O-CG 3.32Å; T192-M196 PolarHBondContact O-N 2.86Å; T192-V270 HydrophobicContact CG2-CG1 4.43Å; T192-L337 HydrophobicContact CG2-CD2 4.37Å |
| 193 | R | 63.5 | Low | 57.5 | Low | 117 Ų | 117 | 50.7 Ų | 50.7 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 170.4 | -73.7 | -169 | -158.9 | 144.1 | 1.9 | 112.3 | L188 A189 G197 | L188-R193 VanDerWaalsContact CA-NH2 3.27Å; L188-R193 PolarHBondContact O-NE 3.23Å; L188-R193 PolarHBondContact O-NH1 3.4Å; L188-R193 PolarHBondContact O-NH2 3.23Å; A189-R193 WeakPolarHBondContact O-CB 3.32Å; A189-R193 WeakPolarHBondContact O-CG 3.12Å; A189-R193 PolarHBondContact O-N 3.44Å; R193-G197 WeakPolarHBondContact O-CA 3.36Å; R193-G197 PolarHBondContact O-N 2.77Å |
| 194 | F | 65.3 | Low | 56.8 | Low | 63 Ų | 63 | 53.8 Ų | 53.8 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 176.7 | 174.8 | -100.7 | 0 | 0 | 0 | 110.6 | E190 S191 T192 L355 V386 V391 | E190-F194 VanDerWaalsContact O-CB 3.25Å; E190-F194 WeakPolarHBondContact O-CB 3.09Å; E190-F194 PolarHBondContact O-N 2.8Å; S191-F194 PolarHBondContact O-N 2.93Å; T192-F194 VanDerWaalsContact C-N 3.3Å; T192-F194 PolarHBondContact O-N 2.61Å; F194-L355 HydrophobicContact CE1-CD2 4.41Å; F194-V386 HydrophobicContact CD1-CG1 4.18Å; F194-V386 HydrophobicContact CE1-CG1 4.32Å; F194-V391 HydrophobicContact CE1-CG2 4.03Å; F194-V391 HydrophobicContact CE2-CG2 4.27Å; F194-V391 HydrophobicContact CZ-CG2 3.48Å; F194-V391 VanDerWaalsContact CZ-CG2 3.48Å |
| 195 | V | 68.3 | Low | 56.6 | Low | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.8 | -40.8 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | S191 T192 N268 R335 L337 L355 | S191-V195 PolarHBondContact O-N 2.8Å; S191-V195 VanDerWaalsContact O-N 3.15Å; T192-V195 PolarHBondContact O-N 2.86Å; V195-N268 HydrophobicContact CG1-CB 4.09Å; V195-N268 PolarHBondContact O-ND2 2.72Å; V195-R335 HydrophobicContact CG1-CB 4.49Å; V195-L337 HydrophobicContact CG2-CB 4.19Å; V195-L337 HydrophobicContact CG2-CD2 4.41Å; V195-L355 HydrophobicContact CG2-CD1 3.94Å |
| 196 | M | 71.3 | Confident | 56.3 | Low | 23 Ų | 23 | 54 Ų | 54 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -87 | -26 | -175.3 | -60.7 | -65 | -88.9 | 0 | 0 | 113.5 | L167 T192 D198 M199 N216 A219 N268 V270 | L167-M196 HydrophobicContact CD1-CE 3.62Å; T192-M196 VanDerWaalsContact O-CB 3.23Å; T192-M196 WeakPolarHBondContact O-CB 3.42Å; T192-M196 WeakPolarHBondContact O-CG 3.32Å; T192-M196 PolarHBondContact O-N 2.86Å; M196-D198 VanDerWaalsContact C-N 3.34Å; M196-D198 PolarHBondContact O-N 3.43Å; M196-M199 PolarHBondContact O-N 2.74Å; M196-N216 HydrophobicContact CE-CB 4.03Å; M196-A219 HydrophobicContact CE-CB 3.44Å; M196-A219 VanDerWaalsContact CE-CB 3.44Å; M196-A219 HydrophobicContact SD-CB 3.9Å; M196-N268 HydrophobicContact SD-CB 4.05Å; M196-V270 HydrophobicContact CG-CG2 4.36Å; M196-V270 HydrophobicContact SD-CG2 4.3Å |
| 197 | G | 63.1 | Low | 55.8 | Low | 43 Ų | 43 | 57.4 Ų | 57.4 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -31.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R193 M199 N200 | R193-G197 WeakPolarHBondContact O-CA 3.36Å; R193-G197 PolarHBondContact O-N 2.77Å; G197-M199 PolarHBondContact O-N 2.83Å; G197-M199 VanDerWaalsContact O-N 3.07Å; G197-N200 PolarHBondContact O-N 2.77Å |
| 198 | D | 63.4 | Low | 55.3 | Low | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.9 | 176.5 | -82 | 2.3 | 0 | 0 | 0 | 113.7 | M196 N200 R335 | M196-D198 VanDerWaalsContact C-N 3.34Å; M196-D198 PolarHBondContact O-N 3.43Å; D198-N200 VanDerWaalsContact C-N 3.3Å; D198-N200 PolarHBondContact O-N 3.01Å; D198-R335 IonicContact OD2-CZ 3.58Å; D198-R335 IonicContact OD2-NH1 2.63Å; D198-R335 PolarHBondContact OD2-NH1 2.9Å |
| 199 | M | 65.7 | Low | 55.2 | Low | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.039 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.3 | -178.5 | -65.4 | -65.9 | -101 | 0 | 0 | 113.9 | M196 G197 F201 A219 K221 P266 N268 | M196-M199 PolarHBondContact O-N 2.74Å; G197-M199 PolarHBondContact O-N 2.83Å; G197-M199 VanDerWaalsContact O-N 3.07Å; M199-F201 HydrophobicContact CB-CD2 3.94Å; M199-F201 HydrophobicContact CB-CE1 4.15Å; M199-F201 HydrophobicContact CB-CE2 3.46Å; M199-F201 VanDerWaalsContact CB-CE2 3.46Å; M199-F201 HydrophobicContact CB-CG 4.48Å; M199-F201 HydrophobicContact CB-CZ 3.6Å; M199-F201 HydrophobicContact CE-CZ 4.29Å; M199-F201 HydrophobicContact CG-CE2 4.22Å; M199-F201 HydrophobicContact CG-CZ 4.2Å; M199-F201 PolarHBondContact O-N 3.45Å; M199-A219 HydrophobicContact CE-CB 4.23Å; M199-A219 HydrophobicContact CG-CB 4.29Å; M199-K221 HydrophobicContact CE-CG 3.75Å; M199-K221 HydrophobicContact SD-CD 4.47Å; M199-K221 HydrophobicContact SD-CG 4.05Å; M199-P266 HydrophobicContact CE-CG 4.36Å; M199-P266 WeakPolarHBondContact CE-O 3.34Å; M199-P266 HydrophobicContact SD-CG 4.4Å; M199-N268 HydrophobicContact CG-CB 4.38Å; M199-N268 VanDerWaalsContact CG-ND2 3.27Å; M199-N268 WeakPolarHBondContact CG-ND2 3.16Å |
| 200 | N | 57.2 | Low | 54.8 | Low | 134 Ų | 134 | 66.6 Ų | 66.6 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | trans | 43.3 | 51.6 | 172.8 | -80.9 | -18.4 | 0 | 0 | 0 | 114.7 | G197 D198 G202 | G197-N200 PolarHBondContact O-N 2.77Å; D198-N200 VanDerWaalsContact C-N 3.3Å; D198-N200 PolarHBondContact O-N 3.01Å; N200-G202 PolarHBondContact O-N 2.98Å | ||
| 201 | F | 61.6 | Low | 54.2 | Low | 38 Ų | 38 | 66.5 Ų | 66.5 | 17% | 0.167 | 40% | 0.402 | C | S | . | . | trans | -68.6 | 14.1 | -178.8 | -66.1 | -56.4 | 0 | 0 | 0 | 116 | N165 M199 F206 A219 | N165-F201 HydrophobicContact CB-CD1 3.53Å; N165-F201 HydrophobicContact CB-CE1 3.58Å; N165-F201 WeakPolarHBondContact OD1-CD1 3.27Å; N165-F201 WeakPolarHBondContact OD1-CE1 3.36Å; M199-F201 HydrophobicContact CB-CD2 3.94Å; M199-F201 HydrophobicContact CB-CE1 4.15Å; M199-F201 HydrophobicContact CB-CE2 3.46Å; M199-F201 VanDerWaalsContact CB-CE2 3.46Å; M199-F201 HydrophobicContact CB-CG 4.48Å; M199-F201 HydrophobicContact CB-CZ 3.6Å; M199-F201 HydrophobicContact CE-CZ 4.29Å; M199-F201 HydrophobicContact CG-CE2 4.22Å; M199-F201 HydrophobicContact CG-CZ 4.2Å; M199-F201 PolarHBondContact O-N 3.45Å; F201-F206 HydrophobicContact CB-CD2 3.72Å; F201-F206 HydrophobicContact CB-CE2 3.61Å; F201-F206 HydrophobicContact CG-CE2 4.43Å; F201-A219 HydrophobicContact CE2-CB 3.77Å; F201-A219 HydrophobicContact CZ-CB 3.82Å | ||
| 202 | G | 50.8 | Low | 54.1 | Low | 43 Ų | 43 | 71.3 Ų | 71.3 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | trans | 72.6 | 104.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | N200 A204 S205 | N200-G202 PolarHBondContact O-N 2.98Å; G202-A204 PolarHBondContact O-N 2.99Å; G202-S205 PolarHBondContact O-N 3.32Å; G202-S205 PolarHBondContact O-OG 3.41Å | ||
| 203 | V | 39.8 | Very low | 54 | Low | 123 Ų | 123 | 72.9 Ų | 72.9 | 75% | 0.745 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -5.2 | -164.4 | 179.6 | 0 | 0 | 0 | 0 | 115 | ||
| 204 | A | 44.5 | Very low | 54.2 | Low | 88 Ų | 88 | 69.6 Ų | 69.6 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -23.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G202 | G202-A204 PolarHBondContact O-N 2.99Š|
| 205 | S | 45.5 | Very low | 54.5 | Low | 71 Ų | 71 | 67 Ų | 67 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -14.4 | -169.8 | 9.1 | 0 | 0 | 0 | 0 | 115 | G202 | G202-S205 PolarHBondContact O-N 3.32Å; G202-S205 PolarHBondContact O-OG 3.41Å |
| 206 | F | 47.1 | Very low | 54.8 | Low | 56 Ų | 56 | 68.3 Ų | 68.3 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -15 | -167 | -56.8 | -73.8 | 0 | 0 | 0 | 115 | V137 L167 F201 | V137-F206 HydrophobicContact CG2-CZ 4.36Å; L167-F206 HydrophobicContact CD2-CD1 4.26Å; F201-F206 HydrophobicContact CB-CD2 3.72Å; F201-F206 HydrophobicContact CB-CE2 3.61Å; F201-F206 HydrophobicContact CG-CE2 4.43Å |
| 207 | A | 41.7 | Very low | 55.1 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -92.9 | -13.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 208 | N | 37.5 | Very low | 56.1 | Low | 132 Ų | 132 | 68 Ų | 68 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | trans | -116.1 | 2.1 | -168.7 | -80.2 | -13.2 | 0 | 0 | 0 | 115.9 | S210 | N208-S210 PolarHBondContact O-N 3.34Å; N208-S210 VanDerWaalsContact O-N 3.09Å | ||
| 209 | D | 45.9 | Very low | 57 | Low | 98 Ų | 98 | 65.2 Ų | 65.2 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -85.6 | 87.6 | 173.2 | -77.2 | -6.1 | 0 | 0 | 0 | 109.3 | I211 | D209-I211 HydrophobicContact CB-CD1 4.46Å; D209-I211 HydrophobicContact CB-CG1 4.4Å; D209-I211 PolarHBondContact O-N 3.16Å | ||
| 210 | S | 44.6 | Very low | 58 | Low | 121 Ų | 121 | 65 Ų | 65 | 85% | 0.846 | 39% | 0.39 | S | S | * | . | trans | -65.2 | 27.7 | 165.3 | 47.2 | 0 | 0 | 0 | 0 | 113 | N208 D212 | N208-S210 PolarHBondContact O-N 3.34Å; N208-S210 VanDerWaalsContact O-N 3.09Å; S210-D212 PolarHBondContact O-N 3.06Å | ||
| 211 | I | 44.5 | Very low | 59.3 | Low | 77 Ų | 77 | 62.8 Ų | 62.8 | 40% | 0.395 | 37% | 0.374 | S | S | . | . | trans | -94.8 | 95.4 | -175.5 | -54.6 | 175.9 | 0 | 0 | 0 | 108.1 | D209 | D209-I211 HydrophobicContact CB-CD1 4.46Å; D209-I211 HydrophobicContact CB-CG1 4.4Å; D209-I211 PolarHBondContact O-N 3.16Å | ||
| 212 | D | 53.5 | Low | 60.5 | Low | 116 Ų | 116 | 66.3 Ų | 66.3 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 47 | 94.6 | 154.5 | -56.3 | -24.3 | 0 | 0 | 0 | 118.3 | S210 W214 | S210-D212 PolarHBondContact O-N 3.06Å; D212-W214 PolarHBondContact O-N 2.92Å |
| 213 | C | 59.3 | Low | 62.3 | Low | 41 Ų | 41 | 65.7 Ų | 65.7 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | trans | 56.9 | 25.5 | 150.4 | -55 | 0 | 0 | 0 | 0 | 119.3 | Y179 | Y179-C213 HydrophobicContact CE2-CB 4.39Š| ||
| 214 | W | 67.6 | Low | 64.7 | Low | 48 Ų | 48 | 60.9 Ų | 60.9 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135 | 174.3 | -71.9 | 86.7 | 0 | 0 | 0 | 113.1 | R169 H171 T187 D212 | R169-W214 HydrophobicContact CB-CE3 3.68Å; R169-W214 HydrophobicContact CB-CZ3 4.3Å; H171-W214 HydrophobicContact CB-CD2 3.61Å; H171-W214 HydrophobicContact CB-CE3 3.59Å; H171-W214 HydrophobicContact CB-CG 4.34Å; H171-W214 HydrophobicContact CB-CH2 3.8Å; H171-W214 HydrophobicContact CB-CZ2 3.76Å; H171-W214 HydrophobicContact CB-CZ3 3.7Å; H171-W214 AromaticContact CD2-NE1 3.85Å; T187-W214 WeakPolarHBondContact CG2-O 3.21Å; D212-W214 PolarHBondContact O-N 2.92Å |
| 215 | I | 70.9 | Confident | 66.9 | Low | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.4 | -177.5 | -56.1 | 177.1 | 0 | 0 | 0 | 109.4 | R169 V170 L172 A182 Y186 C217 F274 | R169-I215 CarbonylContact C-O 3.46Å; R169-I215 WeakPolarHBondContact CA-O 3.14Å; R169-I215 WeakPolarHBondContact CB-O 3.3Å; V170-I215 PolarHBondContact N-O 2.85Å; V170-I215 PolarHBondContact O-N 3.18Å; L172-I215 HydrophobicContact CD1-CD1 4Å; A182-I215 HydrophobicContact CB-CD1 3.85Å; Y186-I215 HydrophobicContact CD1-CG2 3.46Å; Y186-I215 VanDerWaalsContact CD1-CG2 3.46Å; Y186-I215 HydrophobicContact CE1-CG2 3.73Å; Y186-I215 HydrophobicContact CG-CG2 4.32Å; I215-C217 PolarHBondContact O-SG 3.14Å; I215-C217 VanDerWaalsContact O-SG 3.4Å; I215-F274 HydrophobicContact CD1-CE1 4.26Å; I215-F274 HydrophobicContact CD1-CE2 4.11Å; I215-F274 HydrophobicContact CD1-CZ 3.54Å; I215-F274 HydrophobicContact CG2-CE2 4.42Å; I215-F274 HydrophobicContact CG2-CZ 4.09Å |
| 216 | N | 74.6 | Confident | 69.2 | Low | 33 Ų | 33 | 57.7 Ų | 57.7 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.5 | 174 | -65.6 | -42.4 | 0 | 0 | 0 | 110.3 | R169 M196 | R169-N216 WeakPolarHBondContact CD-OD1 3.18Å; R169-N216 WeakPolarHBondContact CG-OD1 3.3Å; R169-N216 PolarHBondContact NE-OD1 2.94Å; M196-N216 HydrophobicContact CE-CB 4.03Å |
| 217 | C | 78.1 | Confident | 71.3 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -32.4 | -172.4 | -58.2 | 0 | 0 | 0 | 0 | 114 | M168 V170 I215 V270 T275 | M168-C217 HydrophobicContact CE-CB 3.96Å; M168-C217 PolarHBondContact O-N 2.85Å; V170-C217 HydrophobicContact CG2-CB 4.49Å; I215-C217 PolarHBondContact O-SG 3.14Å; I215-C217 VanDerWaalsContact O-SG 3.4Å; C217-V270 PolarHBondContact O-N 3.45Å; C217-T275 HydrophobicContact CB-CG2 3.57Å; C217-T275 WeakPolarHBondContact SG-CG2 3.19Å |
| 218 | W | 83.4 | Confident | 73.6 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 129.7 | 179.7 | -173 | 1.2 | 0 | 0 | 0 | 110.3 | L167 M168 I264 N268 I269 L331 | L167-W218 CarbonylContact C-O 3.24Å; L167-W218 WeakPolarHBondContact CA-O 3.21Å; M168-W218 HydrophobicContact CB-CB 3.91Å; M168-W218 HydrophobicContact CE-CB 4.02Å; M168-W218 HydrophobicContact CE-CE3 4.21Å; M168-W218 PolarHBondContact N-O 2.89Å; M168-W218 PolarHBondContact O-N 2.93Å; M168-W218 HydrophobicContact SD-CE3 4.27Å; W218-I264 HydrophobicContact CH2-CD1 4.12Å; W218-I264 HydrophobicContact CZ2-CD1 3.9Å; W218-N268 CarbonylContact C-O 3.53Å; W218-N268 WeakPolarHBondContact CA-O 3.39Å; W218-I269 HydrophobicContact CD2-CG1 4.26Å; W218-I269 HydrophobicContact CG-CG1 3.95Å; W218-I269 HydrophobicContact CZ2-CD1 4.41Å; W218-L331 HydrophobicContact CH2-CD1 4.44Å; W218-L331 HydrophobicContact CH2-CD2 4.41Å; W218-L331 HydrophobicContact CZ2-CD1 4.13Å; W218-L331 HydrophobicContact CZ2-CD2 3.99Å |
| 219 | A | 83.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | A166 L167 M196 M199 F201 C267 N268 | A166-A219 CarbonylContact O-C 3.39Å; A166-A219 WeakPolarHBondContact O-CA 3.34Å; L167-A219 HydrophobicContact CD1-CB 4.03Å; M196-A219 HydrophobicContact CE-CB 3.44Å; M196-A219 VanDerWaalsContact CE-CB 3.44Å; M196-A219 HydrophobicContact SD-CB 3.9Å; M199-A219 HydrophobicContact CE-CB 4.23Å; M199-A219 HydrophobicContact CG-CB 4.29Å; F201-A219 HydrophobicContact CE2-CB 3.77Å; F201-A219 HydrophobicContact CZ-CB 3.82Å; A219-C267 WeakPolarHBondContact O-CA 3.38Å; A219-N268 HydrophobicContact CB-CB 4.49Å; A219-N268 PolarHBondContact N-O 3.19Å; A219-N268 PolarHBondContact O-N 3.37Å |
| 220 | A | 85.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 146.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N165 A166 I264 P266 | N165-A220 CarbonylContact C-O 3.58Å; N165-A220 VanDerWaalsContact CA-O 3.28Å; N165-A220 WeakPolarHBondContact CA-O 3.5Å; A166-A220 HydrophobicContact CB-CB 4.27Å; A166-A220 PolarHBondContact N-O 2.92Å; A166-A220 PolarHBondContact O-N 3.42Å; A220-I264 HydrophobicContact CB-CG2 3.29Å; A220-P266 VanDerWaalsContact CA-O 3.25Å; A220-P266 WeakPolarHBondContact CA-O 3.43Å |
| 221 | K | 84.4 | Confident | 80 | Confident | 87 Ų | 87 | 48.6 Ų | 48.6 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -32.6 | 176.9 | -65.3 | -173.8 | -179.8 | 176.4 | 0 | 113.1 | S164 N165 M199 P266 | S164-K221 CarbonylContact C-O 3.59Å; S164-K221 WeakPolarHBondContact CA-O 3.27Å; N165-K221 PolarHBondContact N-O 2.83Å; M199-K221 HydrophobicContact CE-CG 3.75Å; M199-K221 HydrophobicContact SD-CD 4.47Å; M199-K221 HydrophobicContact SD-CG 4.05Å; K221-P266 HydrophobicContact CB-CG 4.17Å; K221-P266 HydrophobicContact CD-CG 3.66Å; K221-P266 HydrophobicContact CG-CG 3.84Å; K221-P266 PolarHBondContact N-O 3.16Å |
| 222 | Q | 87.4 | Confident | 81.7 | Confident | 112 Ų | 112 | 47.5 Ų | 47.5 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 137.6 | -179.8 | -172.2 | 174.8 | -12.2 | 0 | 0 | 109.5 | G163 V224 I264 S265 | G163-Q222 WeakPolarHBondContact O-CA 3.04Å; Q222-V224 HydrophobicContact CG-CG2 4.16Å; Q222-I264 WeakPolarHBondContact O-CA 3.35Å; Q222-S265 WeakPolarHBondContact CA-O 3.31Å; Q222-S265 WeakPolarHBondContact CB-O 3.43Å; Q222-S265 PolarHBondContact N-O 3.05Å; Q222-S265 PolarHBondContact O-N 3Å |
| 223 | L | 88.5 | Confident | 82.6 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122.9 | 175.8 | 174.3 | 130.1 | 0 | 0 | 0 | 107.8 | L161 N162 G163 I225 L262 E263 I264 | L161-L223 HydrophobicContact CD2-CD2 4.22Å; N162-L223 CarbonylContact C-O 3.51Å; N162-L223 WeakPolarHBondContact CA-O 3.27Å; G163-L223 PolarHBondContact N-O 3.33Å; G163-L223 PolarHBondContact O-N 3.01Å; L223-I225 HydrophobicContact CD2-CD1 4.33Å; L223-I225 HydrophobicContact CD2-CG1 4.14Å; L223-L262 HydrophobicContact CD1-CD1 3.94Å; L223-L262 HydrophobicContact CG-CD1 4.04Å; L223-E263 CarbonylContact C-O 3.58Å; L223-E263 WeakPolarHBondContact CA-O 3.47Å; L223-I264 HydrophobicContact CD1-CD1 3.9Å; L223-I264 HydrophobicContact CD1-CG1 4.11Å |
| 224 | V | 90.9 | Very high | 82.9 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.8 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 107.7 | L161 N162 Q222 T226 L262 E263 | L161-V224 CarbonylContact O-C 3.6Å; L161-V224 WeakPolarHBondContact O-CA 3.38Å; N162-V224 WeakPolarHBondContact OD1-CG1 3.45Å; Q222-V224 HydrophobicContact CG-CG2 4.16Å; V224-T226 HydrophobicContact CG1-CG2 4.1Å; V224-L262 CarbonylContact O-C 3.52Å; V224-L262 WeakPolarHBondContact O-CA 3.25Å; V224-E263 HydrophobicContact CB-CB 4.42Å; V224-E263 PolarHBondContact N-O 3.38Å; V224-E263 PolarHBondContact O-N 3.36Å |
| 225 | I | 90.9 | Very high | 82.5 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.2 | 169.5 | -48.6 | -175.2 | 0 | 0 | 0 | 107 | F159 S160 L161 L223 L260 N261 L262 | F159-I225 HydrophobicContact CE2-CG2 4.2Å; S160-I225 CarbonylContact C-O 3.51Å; S160-I225 VanDerWaalsContact CA-O 3.23Å; S160-I225 WeakPolarHBondContact CA-O 3.06Å; L161-I225 HydrophobicContact CB-CB 3.9Å; L161-I225 HydrophobicContact CB-CG1 4.27Å; L161-I225 HydrophobicContact CD2-CD1 3.66Å; L161-I225 HydrophobicContact CD2-CG1 4.12Å; L161-I225 PolarHBondContact N-O 3.18Å; L161-I225 PolarHBondContact O-N 3.13Å; L223-I225 HydrophobicContact CD2-CD1 4.33Å; L223-I225 HydrophobicContact CD2-CG1 4.14Å; I225-L260 HydrophobicContact CG2-CD1 4.32Å; I225-L260 HydrophobicContact CG2-CD2 4.33Å; I225-L260 HydrophobicContact CG2-CG 4.09Å; I225-N261 CarbonylContact C-O 3.6Å; I225-N261 WeakPolarHBondContact CA-O 3.41Å; I225-L262 HydrophobicContact CD1-CD1 4.15Å; I225-L262 HydrophobicContact CG1-CD1 3.62Å |
| 226 | T | 92.6 | Very high | 82 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.3 | 169.6 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | F159 V224 L260 N261 | F159-T226 CarbonylContact O-C 3.43Å; F159-T226 WeakPolarHBondContact O-CA 3.34Å; V224-T226 HydrophobicContact CG1-CG2 4.1Å; T226-L260 CarbonylContact O-C 3.59Å; T226-L260 WeakPolarHBondContact O-CA 3.47Å; T226-N261 PolarHBondContact N-O 3.19Å; T226-N261 PolarHBondContact O-N 3.15Å |
| 227 | G | 91.4 | Very high | 81.3 | Confident | 13 Ų | 13 | 56 Ų | 56 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 162.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T158 F159 W259 | T158-G227 CarbonylContact C-O 3.47Å; T158-G227 WeakPolarHBondContact CA-O 3.34Å; F159-G227 PolarHBondContact N-O 3.44Å; F159-G227 PolarHBondContact O-N 3.42Å; G227-W259 CarbonylContact C-O 3.57Å; G227-W259 WeakPolarHBondContact CA-O 3.32Å |
| 228 | K | 91.2 | Very high | 80.6 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.2 | -179.5 | -176.9 | -168.7 | 177.1 | -165.7 | 0 | 107.8 | C156 T157 T158 W259 | C156-K228 WeakPolarHBondContact SG-CE 3.41Å; C156-K228 WeakPolarHBondContact SG-CG 3.36Å; T157-K228 CarbonylContact O-C 3.51Å; T157-K228 WeakPolarHBondContact O-CA 3.29Å; T158-K228 HydrophobicContact CG2-CB 4.29Å; T158-K228 HydrophobicContact CG2-CG 4.07Å; K228-W259 HydrophobicContact CB-CB 4.23Å; K228-W259 PolarHBondContact N-O 2.9Å; K228-W259 PolarHBondContact O-N 3.48Å |
| 229 | Y | 89.6 | Confident | 79.9 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 109.7 | 175.7 | -178.6 | -119.9 | 0 | 0 | 0 | 109.4 | C156 T157 F231 D256 V257 L258 L323 | C156-Y229 CarbonylContact C-O 3.54Å; C156-Y229 WeakPolarHBondContact CA-O 3.45Å; T157-Y229 PolarHBondContact N-O 3.22Å; T157-Y229 PolarHBondContact O-N 2.97Å; Y229-F231 HydrophobicContact CD1-CB 4.2Å; Y229-F231 AromaticContact CD1-CD1 3.78Å; Y229-F231 HydrophobicContact CD1-CD1 3.78Å; Y229-F231 HydrophobicContact CD1-CG 4.35Å; Y229-F231 HydrophobicContact CE1-CB 3.52Å; Y229-F231 AromaticContact CE1-CD1 3.78Å; Y229-F231 HydrophobicContact CE1-CD1 3.78Å; Y229-F231 AromaticContact CE1-CG 3.9Å; Y229-F231 HydrophobicContact CE1-CG 3.9Å; Y229-D256 HydrophobicContact CE2-CB 4.24Å; Y229-D256 PolarHBondContact OH-OD2 3.44Å; Y229-D256 VanDerWaalsContact OH-OD2 3.12Å; Y229-V257 WeakPolarHBondContact CA-O 3.12Å; Y229-L258 HydrophobicContact CD2-CB 4.17Å; Y229-L258 HydrophobicContact CD2-CD1 4.14Å; Y229-L323 HydrophobicContact CD2-CD1 4.44Å; Y229-L323 HydrophobicContact CE2-CD1 3.67Å |
| 230 | Q | 87.7 | Confident | 79.2 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.1 | 173.8 | -178 | 174.2 | -11.6 | 0 | 0 | 109 | T154 D155 D256 V257 | T154-Q230 HydrophobicContact CG2-CG 4.46Å; T154-Q230 PolarHBondContact OG1-NE2 2.64Å; T154-Q230 VanDerWaalsContact OG1-NE2 3.09Å; D155-Q230 CarbonylContact O-C 3.57Å; D155-Q230 WeakPolarHBondContact O-CA 3.33Å; Q230-D256 CarbonylContact O-C 3.48Å; Q230-V257 HydrophobicContact CB-CB 4.37Å; Q230-V257 PolarHBondContact N-O 3.12Å; Q230-V257 PolarHBondContact O-N 2.79Å |
| 231 | F | 84.4 | Confident | 78.6 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147 | -176.4 | 64.3 | -84.1 | 0 | 0 | 0 | 111.5 | T154 D155 Y229 K233 D256 | T154-F231 CarbonylContact C-O 3.5Å; T154-F231 VanDerWaalsContact CA-O 3.24Å; T154-F231 WeakPolarHBondContact CA-O 3.3Å; D155-F231 HydrophobicContact CB-CD1 4.41Å; D155-F231 HydrophobicContact CB-CE1 3.73Å; D155-F231 HydrophobicContact CB-CE2 4.04Å; D155-F231 HydrophobicContact CB-CZ 3.51Å; D155-F231 PolarHBondContact N-O 3.5Å; D155-F231 PolarHBondContact O-N 2.9Å; Y229-F231 HydrophobicContact CD1-CB 4.2Å; Y229-F231 AromaticContact CD1-CD1 3.78Å; Y229-F231 HydrophobicContact CD1-CD1 3.78Å; Y229-F231 HydrophobicContact CD1-CG 4.35Å; Y229-F231 HydrophobicContact CE1-CB 3.52Å; Y229-F231 AromaticContact CE1-CD1 3.78Å; Y229-F231 HydrophobicContact CE1-CD1 3.78Å; Y229-F231 AromaticContact CE1-CG 3.9Å; Y229-F231 HydrophobicContact CE1-CG 3.9Å; F231-K233 HydrophobicContact CE2-CG 4.32Å; F231-D256 WeakPolarHBondContact CA-OD1 3.44Å |
| 232 | H | 81.4 | Confident | 78.4 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135.2 | 175.4 | -69.6 | 77.8 | 0 | 0 | 0 | 110.7 | E153 T154 P255 D256 | E153-H232 WeakPolarHBondContact O-CA 3.15Å; T154-H232 VanDerWaalsContact CG2-CD2 3.47Å; T154-H232 WeakPolarHBondContact CG2-CD2 3.45Å; T154-H232 WeakPolarHBondContact CG2-NE2 3.19Å; H232-P255 PolarHBondContact CE1-O 2.81Å; H232-P255 PolarHBondContact ND1-O 3.4Å; H232-D256 IonicContact CG-OD1 2.9Å; H232-D256 PolarHBondContact N-OD1 3.39Å; H232-D256 IonicContact ND1-OD1 2.88Å; H232-D256 PolarHBondContact ND1-OD1 2.89Å |
| 233 | K | 71.8 | Confident | 78 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | trans | -80.8 | 162.8 | 172 | -79.5 | 176.3 | 161.8 | 161.8 | 0 | 111.1 | C152 E153 D155 F231 | C152-K233 WeakPolarHBondContact O-CB 3.12Å; C152-K233 WeakPolarHBondContact O-CD 3.31Å; E153-K233 PolarHBondContact O-N 2.87Å; D155-K233 WeakPolarHBondContact OD1-CE 3.33Å; D155-K233 IonicContact OD1-NZ 3.09Å; D155-K233 PolarHBondContact OD1-NZ 2.92Å; D155-K233 WeakPolarHBondContact OD2-CE 3.45Å; D155-K233 IonicContact OD2-NZ 3.15Å; D155-K233 PolarHBondContact OD2-NZ 3.3Å; F231-K233 HydrophobicContact CE2-CG 4.32Å | ||
| 234 | D | 65 | Low | 77.8 | Confident | 117 Ų | 117 | 74 Ų | 74 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | trans | -45 | 144.9 | -178.4 | -80.2 | 2.7 | 0 | 0 | 0 | 114.6 | K240 | D234-K240 IonicContact OD2-NZ 2.8Å; D234-K240 PolarHBondContact OD2-NZ 3.14Å | ||
| 235 | L | 59.2 | Low | 77.4 | Confident | 42 Ų | 42 | 76.8 Ų | 76.8 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | trans | -59.2 | 149.1 | 171 | -76.5 | 161.1 | 0 | 0 | 0 | 111.7 | D239 K240 L314 V318 | L235-D239 HydrophobicContact CB-CB 4.25Å; L235-D239 HydrophobicContact CD2-CB 4.13Å; L235-K240 HydrophobicContact CB-CG 4.08Å; L235-K240 VanDerWaalsContact O-CE 3.24Å; L235-K240 WeakPolarHBondContact O-CE 3.48Å; L235-L314 HydrophobicContact CD1-CD2 3.62Å; L235-L314 HydrophobicContact CD1-CG 3.7Å; L235-V318 HydrophobicContact CD1-CB 4.33Å; L235-V318 HydrophobicContact CD1-CG2 3.31Å; L235-V318 HydrophobicContact CG-CG2 4.2Å | ||
| 236 | N | 60.6 | Low | 76.7 | Confident | 115 Ų | 115 | 75.2 Ų | 75.2 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | trans | -51.1 | 144.6 | 168.1 | -76 | -26.7 | 0 | 0 | 0 | 110.4 | D238 D239 K240 | N236-D238 PolarHBondContact O-N 3.41Å; N236-D239 PolarHBondContact O-N 3.02Å; N236-K240 PolarHBondContact O-N 3.4Å | ||
| 237 | C | 59.2 | Low | 75.9 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -50 | -34.3 | -174.5 | -97.3 | 0 | 0 | 0 | 0 | 114 | ||
| 238 | D | 63.9 | Low | 75.5 | Confident | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70 | -33.2 | -178.6 | -66.2 | -25.2 | 0 | 0 | 0 | 112.9 | N236 | N236-D238 PolarHBondContact O-N 3.41Å |
| 239 | D | 69.4 | Low | 75 | Confident | 68 Ų | 68 | 79 Ų | 79 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -83.7 | -25.1 | -179 | -74.1 | -40.6 | 0 | 0 | 0 | 112.7 | L235 N236 Y241 K242 L314 | L235-D239 HydrophobicContact CB-CB 4.25Å; L235-D239 HydrophobicContact CD2-CB 4.13Å; N236-D239 PolarHBondContact O-N 3.02Å; D239-Y241 PolarHBondContact O-N 2.91Å; D239-K242 WeakPolarHBondContact O-CB 3.26Å; D239-K242 PolarHBondContact O-N 3.39Å; D239-K242 VanDerWaalsContact O-N 3.14Å; D239-L314 HydrophobicContact CB-CD2 4.44Å |
| 240 | K | 67.9 | Low | 74.8 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.7 | -38.1 | -177.2 | -79.3 | -168.6 | 170.2 | -165.4 | 0 | 113.4 | D234 L235 N236 D315 | D234-K240 IonicContact OD2-NZ 2.8Å; D234-K240 PolarHBondContact OD2-NZ 3.14Å; L235-K240 HydrophobicContact CB-CG 4.08Å; L235-K240 VanDerWaalsContact O-CE 3.24Å; L235-K240 WeakPolarHBondContact O-CE 3.48Å; N236-K240 PolarHBondContact O-N 3.4Å; K240-D315 HydrophobicContact CB-CB 4.19Å; K240-D315 HydrophobicContact CG-CB 4.35Å; K240-D315 WeakPolarHBondContact O-CB 3.17Å; K240-D315 PolarHBondContact O-N 2.9Å |
| 241 | Y | 72.7 | Confident | 74.7 | Confident | 183 Ų | 183 | 75.3 Ų | 75.3 | 72% | 0.718 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.7 | -175.2 | -59.3 | -74 | 0 | 0 | 0 | 114.1 | D239 P243 | D239-Y241 PolarHBondContact O-N 2.91Å; Y241-P243 WeakPolarHBondContact O-CD 3.25Å |
| 242 | K | 80.7 | Confident | 74.7 | Confident | 123 Ų | 123 | 76.9 Ų | 76.9 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | trans | -62.6 | 120.3 | 177.1 | -170 | 175.6 | -179.1 | 179.2 | 0 | 109 | D239 V244 L314 | D239-K242 WeakPolarHBondContact O-CB 3.26Å; D239-K242 PolarHBondContact O-N 3.39Å; D239-K242 VanDerWaalsContact O-N 3.14Å; K242-V244 VanDerWaalsContact O-CG2 3.3Å; K242-V244 WeakPolarHBondContact O-CG2 3.36Å; K242-L314 HydrophobicContact CB-CB 4.47Å; K242-L314 PolarHBondContact O-N 3.4Å | ||
| 243 | P | 80 | Confident | 74.9 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 135.4 | 177.9 | 28 | -32.5 | 0 | 0 | 0 | 109.5 | Y241 E311 | Y241-P243 WeakPolarHBondContact O-CD 3.25Å; P243-E311 HydrophobicContact CB-CB 4.23Å |
| 244 | V | 83 | Confident | 75.5 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.4 | -179 | -138.8 | 0 | 0 | 0 | 0 | 109.9 | K242 Y248 E311 V312 L314 | K242-V244 VanDerWaalsContact O-CG2 3.3Å; K242-V244 WeakPolarHBondContact O-CG2 3.36Å; V244-Y248 HydrophobicContact CB-CD2 4.3Å; V244-Y248 HydrophobicContact CG1-CD2 3.14Å; V244-Y248 HydrophobicContact CG1-CE2 3.56Å; V244-Y248 HydrophobicContact CG1-CG 3.92Å; V244-E311 CarbonylContact O-C 3.55Å; V244-E311 VanDerWaalsContact O-CA 3.28Å; V244-E311 WeakPolarHBondContact O-CA 3.36Å; V244-V312 PolarHBondContact N-O 3.26Å; V244-V312 PolarHBondContact O-N 3.42Å; V244-L314 HydrophobicContact CG2-CB 3.59Å; V244-L314 HydrophobicContact CG2-CD1 3.83Å; V244-L314 HydrophobicContact CG2-CG 4.26Å |
| 245 | T | 82.3 | Confident | 76.6 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 146.3 | 179.8 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | F247 Y248 A310 | T245-F247 PolarHBondContact O-N 3.12Å; T245-Y248 WeakPolarHBondContact O-CB 3.49Å; T245-Y248 PolarHBondContact O-N 3.01Å; T245-A310 WeakPolarHBondContact CA-O 3.34Å |
| 246 | A | 76.6 | Confident | 78 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y248 A310 L418 F419 | A246-Y248 VanDerWaalsContact C-N 3.34Å; A246-A310 PolarHBondContact N-O 3Å; A246-L418 HydrophobicContact CB-CD2 3.9Å; A246-L418 WeakPolarHBondContact O-CA 3.34Å; A246-F419 HydrophobicContact CB-CE1 4.48Å; A246-F419 VanDerWaalsContact O-CD1 3.29Å; A246-F419 WeakPolarHBondContact O-CD1 3.34Å; A246-F419 PolarHBondContact O-N 2.87Å |
| 247 | F | 76.7 | Confident | 79.4 | Confident | 107 Ų | 107 | 65 Ų | 65 | 47% | 0.469 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 29.9 | 173.6 | -64.7 | -83.1 | 0 | 0 | 0 | 112.9 | T245 D249 C417 L418 I478 | T245-F247 PolarHBondContact O-N 3.12Å; F247-D249 PolarHBondContact O-N 3.14Å; F247-C417 WeakPolarHBondContact CD1-O 3.36Å; F247-L418 HydrophobicContact CD1-CD2 3.9Å; F247-L418 HydrophobicContact CD2-CD2 4.26Å; F247-L418 HydrophobicContact CE1-CD2 3.63Å; F247-L418 HydrophobicContact CE1-CG 4.15Å; F247-L418 HydrophobicContact CE2-CD2 4.01Å; F247-L418 HydrophobicContact CG-CD2 4.21Å; F247-L418 HydrophobicContact CZ-CD2 3.69Å; F247-I478 HydrophobicContact CE1-CD1 4.32Å; F247-I478 HydrophobicContact CZ-CD1 4.24Å; F247-I478 HydrophobicContact CZ-CG2 4.43Å |
| 248 | Y | 81.5 | Confident | 80.9 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | trans | -63.2 | 130.1 | 177.5 | -172.3 | -97.4 | 0 | 0 | 0 | 111 | V244 T245 A246 I250 T252 L253 V317 | V244-Y248 HydrophobicContact CB-CD2 4.3Å; V244-Y248 HydrophobicContact CG1-CD2 3.14Å; V244-Y248 HydrophobicContact CG1-CE2 3.56Å; V244-Y248 HydrophobicContact CG1-CG 3.92Å; T245-Y248 WeakPolarHBondContact O-CB 3.49Å; T245-Y248 PolarHBondContact O-N 3.01Å; A246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-I250 PolarHBondContact O-N 2.94Å; Y248-I250 VanDerWaalsContact O-N 3.11Å; Y248-T252 WeakPolarHBondContact CE1-OG1 3.24Å; Y248-T252 PolarHBondContact OH-OG1 3.41Å; Y248-L253 HydrophobicContact CE1-CD2 4.46Å; Y248-L253 HydrophobicContact CE1-CG 4.26Å; Y248-V317 HydrophobicContact CD1-CG1 3.58Å; Y248-V317 HydrophobicContact CE1-CG1 4.22Å; Y248-V317 HydrophobicContact CG-CG1 4.22Å | ||
| 249 | D | 81.9 | Confident | 82.3 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | trans | -74.1 | 103.4 | 176.1 | -177.6 | 13.6 | 0 | 0 | 0 | 110.5 | F247 F251 T252 T414 | F247-D249 PolarHBondContact O-N 3.14Å; D249-F251 PolarHBondContact O-N 2.89Å; D249-F251 VanDerWaalsContact O-N 3.13Å; D249-F251 WeakPolarHBondContact OD1-CB 3.1Å; D249-F251 PolarHBondContact OD1-N 2.75Å; D249-T252 HydrophobicContact CB-CG2 4.15Å; D249-T252 WeakPolarHBondContact O-CB 3.47Å; D249-T252 WeakPolarHBondContact O-CG2 3.47Å; D249-T252 PolarHBondContact O-N 3.05Å; D249-T252 VanDerWaalsContact O-N 3.07Å; D249-T252 PolarHBondContact O-OG1 2.79Å; D249-T414 VanDerWaalsContact CG-OG1 3.32Å; D249-T414 VanDerWaalsContact OD1-CB 3.29Å; D249-T414 WeakPolarHBondContact OD1-CB 3.27Å; D249-T414 PolarHBondContact OD1-OG1 2.73Å | ||
| 250 | I | 84.4 | Confident | 83.4 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59.9 | -20.5 | 177.6 | 57.8 | 170.3 | 0 | 0 | 0 | 112.9 | Y248 T252 L253 V317 P322 T414 F419 P423 | Y248-I250 PolarHBondContact O-N 2.94Å; Y248-I250 VanDerWaalsContact O-N 3.11Å; I250-T252 PolarHBondContact O-N 2.78Å; I250-L253 PolarHBondContact O-N 2.64Å; I250-V317 HydrophobicContact CG2-CG1 4.41Å; I250-P322 WeakPolarHBondContact O-CD 3.27Å; I250-T414 HydrophobicContact CD1-CG2 4.25Å; I250-T414 HydrophobicContact CG1-CG2 3.73Å; I250-F419 HydrophobicContact CG2-CB 4.04Å; I250-P423 HydrophobicContact CD1-CG 4.31Å |
| 251 | F | 85.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -72.4 | -6.6 | 176.4 | -71.6 | -10.7 | 0 | 0 | 0 | 114.1 | D249 L253 P322 L369 F412 T414 P423 | D249-F251 PolarHBondContact O-N 2.89Å; D249-F251 VanDerWaalsContact O-N 3.13Å; D249-F251 WeakPolarHBondContact OD1-CB 3.1Å; D249-F251 PolarHBondContact OD1-N 2.75Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-P322 HydrophobicContact CD1-CB 4.49Å; F251-L369 VanDerWaalsContact CA-CD2 3.42Å; F251-L369 HydrophobicContact CB-CD2 3.62Å; F251-L369 HydrophobicContact CD1-CB 4.38Å; F251-L369 HydrophobicContact CD1-CD2 3.87Å; F251-L369 HydrophobicContact CD1-CG 4.11Å; F251-L369 HydrophobicContact CG-CB 4.44Å; F251-L369 HydrophobicContact CG-CD2 3.92Å; F251-L369 HydrophobicContact CG-CG 4.45Å; F251-L369 WeakPolarHBondContact O-CD2 3.26Å; F251-F412 HydrophobicContact CZ-CB 4.46Å; F251-T414 HydrophobicContact CD1-CG2 3.94Å; F251-T414 HydrophobicContact CD2-CG2 3.68Å; F251-T414 HydrophobicContact CE1-CG2 3.89Å; F251-T414 HydrophobicContact CE2-CG2 3.64Å; F251-T414 HydrophobicContact CG-CG2 3.83Å; F251-T414 HydrophobicContact CZ-CG2 3.74Å; F251-P423 HydrophobicContact CE1-CG 4.15Å; F251-P423 HydrophobicContact CZ-CB 4.11Å; F251-P423 HydrophobicContact CZ-CG 4.01Å |
| 252 | T | 84.7 | Confident | 85.5 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -78.9 | -15.5 | 170.3 | 62 | 0 | 0 | 0 | 0 | 113.3 | Y248 D249 I250 | Y248-T252 WeakPolarHBondContact CE1-OG1 3.24Å; Y248-T252 PolarHBondContact OH-OG1 3.41Å; D249-T252 HydrophobicContact CB-CG2 4.15Å; D249-T252 WeakPolarHBondContact O-CB 3.47Å; D249-T252 WeakPolarHBondContact O-CG2 3.47Å; D249-T252 PolarHBondContact O-N 3.05Å; D249-T252 VanDerWaalsContact O-N 3.07Å; D249-T252 PolarHBondContact O-OG1 2.79Å; I250-T252 PolarHBondContact O-N 2.78Å |
| 253 | L | 85.4 | Confident | 86 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -83.7 | 139.7 | 176.2 | -61.6 | 173.6 | 0 | 0 | 0 | 110.4 | Y248 I250 F251 V318 R321 | Y248-L253 HydrophobicContact CE1-CD2 4.46Å; Y248-L253 HydrophobicContact CE1-CG 4.26Å; I250-L253 PolarHBondContact O-N 2.64Å; F251-L253 VanDerWaalsContact C-N 3.32Å; L253-V318 HydrophobicContact CD1-CG2 4.38Å; L253-V318 HydrophobicContact CD2-CG2 4.39Å; L253-R321 HydrophobicContact CB-CG 4.35Å; L253-R321 HydrophobicContact CD1-CB 4.48Å |
| 254 | A | 85.9 | Confident | 86.5 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 134.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R321 | A254-R321 WeakPolarHBondContact O-CD 3.28Å; A254-R321 WeakPolarHBondContact O-CG 3.43Å; A254-R321 PolarHBondContact O-NH1 2.97Å |
| 255 | P | 88 | Confident | 86.7 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 148.9 | -174.8 | 30.3 | -34.3 | 0 | 0 | 0 | 113 | H232 P322 D324 L369 | H232-P255 PolarHBondContact CE1-O 2.81Å; H232-P255 PolarHBondContact ND1-O 3.4Å; P255-P322 CarbonylContact C-O 3.41Å; P255-P322 VanDerWaalsContact CA-O 3.24Å; P255-P322 WeakPolarHBondContact CA-O 3.43Å; P255-P322 HydrophobicContact CB-CB 4.34Å; P255-P322 HydrophobicContact CB-CG 4.16Å; P255-D324 HydrophobicContact CB-CB 4.18Å; P255-D324 VanDerWaalsContact CB-CG 3.45Å; P255-D324 WeakPolarHBondContact CB-OD1 3.25Å; P255-D324 HydrophobicContact CG-CB 4.44Å; P255-D324 VanDerWaalsContact CG-CG 3.48Å; P255-D324 WeakPolarHBondContact CG-OD2 3.4Å; P255-L369 HydrophobicContact CB-CD1 3.63Å; P255-L369 HydrophobicContact CG-CD1 3.41Å; P255-L369 VanDerWaalsContact CG-CD1 3.41Å |
| 256 | D | 88.2 | Confident | 87 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 153.5 | 161.4 | -72.1 | -8.2 | 0 | 0 | 0 | 109.6 | Y229 Q230 F231 H232 R321 P322 L323 D324 | Y229-D256 HydrophobicContact CE2-CB 4.24Å; Y229-D256 PolarHBondContact OH-OD2 3.44Å; Y229-D256 VanDerWaalsContact OH-OD2 3.12Å; Q230-D256 CarbonylContact O-C 3.48Å; F231-D256 WeakPolarHBondContact CA-OD1 3.44Å; H232-D256 IonicContact CG-OD1 2.9Å; H232-D256 PolarHBondContact N-OD1 3.39Å; H232-D256 IonicContact ND1-OD1 2.88Å; H232-D256 PolarHBondContact ND1-OD1 2.89Å; D256-R321 VanDerWaalsContact OD1-CD 3.29Å; D256-R321 WeakPolarHBondContact OD1-CD 3.22Å; D256-P322 PolarHBondContact N-O 2.99Å; D256-L323 HydrophobicContact CB-CD1 3.87Å; D256-L323 CarbonylContact O-C 3.51Å; D256-D324 PolarHBondContact O-N 3.02Å |
| 257 | V | 90.2 | Very high | 87.5 | Confident | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.5 | -174.1 | -169.6 | 0 | 0 | 0 | 0 | 111 | Y229 Q230 W259 D324 | Y229-V257 WeakPolarHBondContact CA-O 3.12Å; Q230-V257 HydrophobicContact CB-CB 4.37Å; Q230-V257 PolarHBondContact N-O 3.12Å; Q230-V257 PolarHBondContact O-N 2.79Å; V257-W259 VanDerWaalsContact CG1-NE1 3.34Å; V257-D324 CarbonylContact C-O 3.55Å; V257-D324 WeakPolarHBondContact CA-O 3.41Å; V257-D324 HydrophobicContact CG2-CB 4.43Å |
| 258 | L | 90.5 | Very high | 88 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.4 | 174 | 176.7 | 66.1 | 0 | 0 | 0 | 110.4 | F159 Y229 L323 D324 V325 H326 | F159-L258 HydrophobicContact CE1-CD1 4.19Å; F159-L258 HydrophobicContact CZ-CD1 4.2Å; Y229-L258 HydrophobicContact CD2-CB 4.17Å; Y229-L258 HydrophobicContact CD2-CD1 4.14Å; L258-L323 HydrophobicContact CB-CD1 4.11Å; L258-D324 PolarHBondContact N-O 3.47Å; L258-V325 HydrophobicContact CB-CG2 4.47Å; L258-V325 HydrophobicContact CD2-CG1 4.4Å; L258-V325 CarbonylContact O-C 3.48Å; L258-V325 WeakPolarHBondContact O-CA 3.36Å; L258-H326 PolarHBondContact O-N 3.19Å |
| 259 | W | 92.4 | Very high | 88.2 | Confident | 101 Ų | 101 | 39 Ų | 39 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.4 | 167.9 | -69.9 | 75.3 | 0 | 0 | 0 | 109.5 | G227 K228 V257 H326 | G227-W259 CarbonylContact C-O 3.57Å; G227-W259 WeakPolarHBondContact CA-O 3.32Å; K228-W259 HydrophobicContact CB-CB 4.23Å; K228-W259 PolarHBondContact N-O 2.9Å; K228-W259 PolarHBondContact O-N 3.48Å; V257-W259 VanDerWaalsContact CG1-NE1 3.34Å; W259-H326 CarbonylContact C-O 3.51Å; W259-H326 WeakPolarHBondContact CA-O 3.45Å; W259-H326 HydrophobicContact CD2-CB 3.86Å; W259-H326 AromaticContact CE2-CD2 3.61Å; W259-H326 AromaticContact CE2-CG 3.92Å; W259-H326 HydrophobicContact CE3-CB 3.77Å; W259-H326 HydrophobicContact CG-CB 4.36Å; W259-H326 HydrophobicContact CH2-CB 4.4Å; W259-H326 HydrophobicContact CZ2-CB 4.48Å; W259-H326 AromaticContact CZ2-CD2 3.74Å; W259-H326 AromaticContact CZ2-CG 3.9Å; W259-H326 AromaticContact CZ2-NE2 3.86Å; W259-H326 HydrophobicContact CZ3-CB 4.06Å; W259-H326 AromaticContact NE1-CD2 3.77Å |
| 260 | L | 92.5 | Very high | 88.2 | Confident | 48 Ų | 48 | 36 Ų | 36 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 124.7 | 179.2 | -172.3 | 147.7 | 0 | 0 | 0 | 110.1 | F159 I225 T226 L262 H326 V327 E328 | F159-L260 HydrophobicContact CE2-CD1 4.48Å; F159-L260 HydrophobicContact CZ-CD1 4.39Å; I225-L260 HydrophobicContact CG2-CD1 4.32Å; I225-L260 HydrophobicContact CG2-CD2 4.33Å; I225-L260 HydrophobicContact CG2-CG 4.09Å; T226-L260 CarbonylContact O-C 3.59Å; T226-L260 WeakPolarHBondContact O-CA 3.47Å; L260-L262 HydrophobicContact CD2-CB 4.23Å; L260-H326 PolarHBondContact N-O 3.46Å; L260-V327 HydrophobicContact CB-CG2 4.13Å; L260-V327 HydrophobicContact CD2-CG1 4.11Å; L260-V327 CarbonylContact O-C 3.47Å; L260-V327 VanDerWaalsContact O-CA 3.28Å; L260-V327 WeakPolarHBondContact O-CA 3.35Å; L260-E328 PolarHBondContact O-N 2.99Å |
| 261 | N | 93.5 | Very high | 88 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.6 | 172.4 | 179.9 | 8.5 | 0 | 0 | 0 | 109.2 | I225 T226 E328 | I225-N261 CarbonylContact C-O 3.6Å; I225-N261 WeakPolarHBondContact CA-O 3.41Å; T226-N261 PolarHBondContact N-O 3.19Å; T226-N261 PolarHBondContact O-N 3.15Å; N261-E328 CarbonylContact C-O 3.4Å; N261-E328 VanDerWaalsContact CA-O 3.31Å; N261-E328 WeakPolarHBondContact CA-O 3.43Å |
| 262 | L | 92.2 | Very high | 87.6 | Confident | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117.1 | 178.8 | 165.9 | 66.5 | 0 | 0 | 0 | 109.9 | L223 V224 I225 L260 I264 E328 V329 I330 | L223-L262 HydrophobicContact CD1-CD1 3.94Å; L223-L262 HydrophobicContact CG-CD1 4.04Å; V224-L262 CarbonylContact O-C 3.52Å; V224-L262 WeakPolarHBondContact O-CA 3.25Å; I225-L262 HydrophobicContact CD1-CD1 4.15Å; I225-L262 HydrophobicContact CG1-CD1 3.62Å; L260-L262 HydrophobicContact CD2-CB 4.23Å; L262-I264 HydrophobicContact CD1-CD1 4.01Å; L262-I264 HydrophobicContact CD1-CG1 3.77Å; L262-I264 HydrophobicContact CD2-CD1 4.16Å; L262-I264 HydrophobicContact CG-CD1 4.19Å; L262-I264 HydrophobicContact CG-CG1 4.02Å; L262-E328 PolarHBondContact N-O 2.72Å; L262-V329 HydrophobicContact CB-CB 4.49Å; L262-V329 HydrophobicContact CB-CG1 4.32Å; L262-V329 HydrophobicContact CB-CG2 4.11Å; L262-V329 HydrophobicContact CD2-CG1 3.79Å; L262-V329 HydrophobicContact CD2-CG2 4.06Å; L262-V329 HydrophobicContact CG-CG1 4.02Å; L262-V329 CarbonylContact O-C 3.5Å; L262-V329 VanDerWaalsContact O-CA 3.25Å; L262-V329 WeakPolarHBondContact O-CA 3.36Å; L262-I330 PolarHBondContact O-N 2.8Å |
| 263 | E | 91.7 | Very high | 87.3 | Confident | 92 Ų | 92 | 32.1 Ų | 32.1 | 43% | 0.43 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.9 | 175.6 | -60.7 | -177.2 | 175.7 | 0 | 0 | 110.4 | L223 V224 I330 | L223-E263 CarbonylContact C-O 3.58Å; L223-E263 WeakPolarHBondContact CA-O 3.47Å; V224-E263 HydrophobicContact CB-CB 4.42Å; V224-E263 PolarHBondContact N-O 3.38Å; V224-E263 PolarHBondContact O-N 3.36Å; E263-I330 CarbonylContact C-O 3.59Å; E263-I330 WeakPolarHBondContact CA-O 3.39Å; E263-I330 HydrophobicContact CG-CB 4.33Å; E263-I330 HydrophobicContact CG-CD1 4.5Å; E263-I330 HydrophobicContact CG-CG1 4.46Å |
| 264 | I | 90.6 | Very high | 86.9 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.4 | 179.3 | -45.2 | -174.5 | 0 | 0 | 0 | 110.4 | W218 A220 Q222 L223 L262 C267 I330 L331 T332 | W218-I264 HydrophobicContact CH2-CD1 4.12Å; W218-I264 HydrophobicContact CZ2-CD1 3.9Å; A220-I264 HydrophobicContact CB-CG2 3.29Å; Q222-I264 WeakPolarHBondContact O-CA 3.35Å; L223-I264 HydrophobicContact CD1-CD1 3.9Å; L223-I264 HydrophobicContact CD1-CG1 4.11Å; L262-I264 HydrophobicContact CD1-CD1 4.01Å; L262-I264 HydrophobicContact CD1-CG1 3.77Å; L262-I264 HydrophobicContact CD2-CD1 4.16Å; L262-I264 HydrophobicContact CG-CD1 4.19Å; L262-I264 HydrophobicContact CG-CG1 4.02Å; I264-C267 WeakPolarHBondContact CG2-SG 3.29Å; I264-C267 PolarHBondContact O-SG 2.74Å; I264-I330 PolarHBondContact N-O 2.72Å; I264-L331 HydrophobicContact CB-CD2 3.58Å; I264-L331 HydrophobicContact CD1-CD2 3.53Å; I264-L331 HydrophobicContact CG1-CD2 3.64Å; I264-L331 HydrophobicContact CG2-CD2 4.5Å; I264-L331 WeakPolarHBondContact O-CA 3.4Å; I264-T332 PolarHBondContact O-N 3.13Å |
| 265 | S | 86.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 30% | 0.301 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 145.4 | -173.7 | -173.8 | 0 | 0 | 0 | 0 | 113.8 | Q222 T332 | Q222-S265 WeakPolarHBondContact CA-O 3.31Å; Q222-S265 WeakPolarHBondContact CB-O 3.43Å; Q222-S265 PolarHBondContact N-O 3.05Å; Q222-S265 PolarHBondContact O-N 3Å; S265-T332 WeakPolarHBondContact CB-OG1 3.36Å; S265-T332 PolarHBondContact OG-OG1 3.42Å |
| 266 | P | 88.3 | Confident | 86 | Confident | 37 Ų | 37 | 31 Ų | 31 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -56.6 | 162.2 | -45.6 | 24.3 | -38 | 0 | 0 | 0 | 112.8 | M199 A220 K221 T332 | M199-P266 HydrophobicContact CE-CG 4.36Å; M199-P266 WeakPolarHBondContact CE-O 3.34Å; M199-P266 HydrophobicContact SD-CG 4.4Å; A220-P266 VanDerWaalsContact CA-O 3.25Å; A220-P266 WeakPolarHBondContact CA-O 3.43Å; K221-P266 HydrophobicContact CB-CG 4.17Å; K221-P266 HydrophobicContact CD-CG 3.66Å; K221-P266 HydrophobicContact CG-CG 3.84Å; K221-P266 PolarHBondContact N-O 3.16Å; P266-T332 WeakPolarHBondContact CA-O 3.2Å |
| 267 | C | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.1 | -176 | -62 | 0 | 0 | 0 | 0 | 113.1 | A219 I264 T332 S333 I334 R335 | A219-C267 WeakPolarHBondContact O-CA 3.38Å; I264-C267 WeakPolarHBondContact CG2-SG 3.29Å; I264-C267 PolarHBondContact O-SG 2.74Å; C267-T332 PolarHBondContact N-O 2.71Å; C267-S333 PolarHBondContact N-O 3.04Å; C267-I334 HydrophobicContact CB-CG1 4.21Å; C267-I334 HydrophobicContact CB-CG2 4.46Å; C267-I334 CarbonylContact O-C 3.56Å; C267-I334 VanDerWaalsContact O-CA 3.23Å; C267-I334 WeakPolarHBondContact O-CA 3.44Å; C267-R335 PolarHBondContact O-N 2.87Å |
| 268 | N | 87.1 | Confident | 85 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121 | 169.9 | -67.3 | -1.3 | 0 | 0 | 0 | 109.3 | V195 M196 M199 W218 A219 R335 | V195-N268 HydrophobicContact CG1-CB 4.09Å; V195-N268 PolarHBondContact O-ND2 2.72Å; M196-N268 HydrophobicContact SD-CB 4.05Å; M199-N268 HydrophobicContact CG-CB 4.38Å; M199-N268 VanDerWaalsContact CG-ND2 3.27Å; M199-N268 WeakPolarHBondContact CG-ND2 3.16Å; W218-N268 CarbonylContact C-O 3.53Å; W218-N268 WeakPolarHBondContact CA-O 3.39Å; A219-N268 HydrophobicContact CB-CB 4.49Å; A219-N268 PolarHBondContact N-O 3.19Å; A219-N268 PolarHBondContact O-N 3.37Å; N268-R335 CarbonylContact C-O 3.53Å; N268-R335 WeakPolarHBondContact CA-O 3.38Å |
| 269 | I | 85.9 | Confident | 84.3 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.1 | -172.8 | -54.5 | 174.1 | 0 | 0 | 0 | 109.1 | W218 F271 I334 R335 A336 L337 | W218-I269 HydrophobicContact CD2-CG1 4.26Å; W218-I269 HydrophobicContact CG-CG1 3.95Å; W218-I269 HydrophobicContact CZ2-CD1 4.41Å; I269-F271 HydrophobicContact CB-CE2 4.39Å; I269-F271 HydrophobicContact CD1-CZ 4.35Å; I269-F271 HydrophobicContact CG2-CD1 4.05Å; I269-F271 HydrophobicContact CG2-CD2 4.02Å; I269-F271 HydrophobicContact CG2-CE1 3.85Å; I269-F271 HydrophobicContact CG2-CE2 3.82Å; I269-F271 HydrophobicContact CG2-CG 4.13Å; I269-F271 HydrophobicContact CG2-CZ 3.73Å; I269-I334 HydrophobicContact CD1-CG2 3.83Å; I269-I334 HydrophobicContact CG1-CG2 4.33Å; I269-R335 PolarHBondContact N-O 3.41Å; I269-A336 HydrophobicContact CB-CB 4.46Å; I269-A336 CarbonylContact O-C 3.55Å; I269-A336 VanDerWaalsContact O-CA 3.28Å; I269-A336 WeakPolarHBondContact O-CA 3.14Å; I269-L337 PolarHBondContact O-N 3.14Å |
| 270 | V | 80.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 102.8 | 171.3 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | Y186 T192 M196 C217 M272 | Y186-V270 HydrophobicContact CE1-CG1 4.18Å; Y186-V270 WeakPolarHBondContact OH-CG1 3.43Å; T192-V270 HydrophobicContact CG2-CG1 4.43Å; M196-V270 HydrophobicContact CG-CG2 4.36Å; M196-V270 HydrophobicContact SD-CG2 4.3Å; C217-V270 PolarHBondContact O-N 3.45Å; V270-M272 HydrophobicContact CG1-CG 4.42Å; V270-M272 HydrophobicContact CG1-SD 4.41Å; V270-M272 PolarHBondContact O-N 3.42Å |
| 271 | F | 80.2 | Confident | 82.8 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 111.6 | -179.6 | -75.8 | -65 | 0 | 0 | 0 | 109.9 | I269 L276 A336 L337 L338 S339 F456 | I269-F271 HydrophobicContact CB-CE2 4.39Å; I269-F271 HydrophobicContact CD1-CZ 4.35Å; I269-F271 HydrophobicContact CG2-CD1 4.05Å; I269-F271 HydrophobicContact CG2-CD2 4.02Å; I269-F271 HydrophobicContact CG2-CE1 3.85Å; I269-F271 HydrophobicContact CG2-CE2 3.82Å; I269-F271 HydrophobicContact CG2-CG 4.13Å; I269-F271 HydrophobicContact CG2-CZ 3.73Å; F271-L276 HydrophobicContact CD1-CD1 4.46Å; F271-L276 HydrophobicContact CE1-CD2 4.45Å; F271-A336 HydrophobicContact CD2-CB 3.87Å; F271-A336 HydrophobicContact CE2-CB 3.63Å; F271-L337 PolarHBondContact N-O 3.24Å; F271-L338 HydrophobicContact CB-CD1 4.06Å; F271-S339 PolarHBondContact O-N 2.87Å; F271-F456 HydrophobicContact CB-CE2 3.93Å; F271-F456 HydrophobicContact CB-CZ 4.22Å |
| 272 | M | 77.7 | Confident | 81.9 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | trans | -115.3 | 153.2 | 169.2 | -58.4 | -62.6 | -53.7 | 0 | 0 | 108.8 | Y186 V270 F274 T275 S339 C342 F456 | Y186-M272 HydrophobicContact CE2-SD 4.12Å; Y186-M272 PolarHBondContact OH-SD 3.28Å; V270-M272 HydrophobicContact CG1-CG 4.42Å; V270-M272 HydrophobicContact CG1-SD 4.41Å; V270-M272 PolarHBondContact O-N 3.42Å; M272-F274 HydrophobicContact CB-CD1 3.94Å; M272-F274 HydrophobicContact CB-CD2 4.35Å; M272-F274 HydrophobicContact CB-CE1 3.5Å; M272-F274 VanDerWaalsContact CB-CE1 3.5Å; M272-F274 HydrophobicContact CB-CE2 3.95Å; M272-F274 HydrophobicContact CB-CG 4.35Å; M272-F274 HydrophobicContact CB-CZ 3.49Å; M272-F274 VanDerWaalsContact CB-CZ 3.49Å; M272-F274 HydrophobicContact CE-CE1 4.07Å; M272-F274 HydrophobicContact CG-CE1 3.98Å; M272-F274 HydrophobicContact CG-CE2 4.33Å; M272-F274 HydrophobicContact CG-CZ 3.67Å; M272-F274 PolarHBondContact O-N 3.36Å; M272-F274 VanDerWaalsContact O-N 3.09Å; M272-T275 HydrophobicContact CB-CG2 4.03Å; M272-T275 PolarHBondContact N-OG1 3.12Å; M272-T275 PolarHBondContact O-N 2.67Å; M272-T275 PolarHBondContact O-OG1 3.15Å; M272-S339 WeakPolarHBondContact CE-O 3.27Å; M272-S339 VanDerWaalsContact SD-CB 3.5Å; M272-S339 VanDerWaalsContact SD-O 3.34Å; M272-C342 WeakPolarHBondContact CE-SG 3.27Å; M272-F456 VanDerWaalsContact C-CE2 3.45Å | ||
| 273 | P | 77.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.3 | -35.3 | -177.8 | -28.3 | 36 | 0 | 0 | 0 | 114.2 | S277 F456 L459 M460 | P273-S277 PolarHBondContact O-OG 2.87Å; P273-S277 VanDerWaalsContact O-OG 3.06Å; P273-F456 HydrophobicContact CG-CD2 3.92Å; P273-F456 HydrophobicContact CG-CE2 4.48Å; P273-L459 HydrophobicContact CB-CB 3.59Å; P273-L459 HydrophobicContact CG-CB 3.67Å; P273-L459 HydrophobicContact CG-CD1 4.02Å; P273-M460 HydrophobicContact CB-CG 4.05Å |
| 274 | F | 77.8 | Confident | 80.3 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.1 | -19.7 | 179.6 | 56.4 | -99.1 | 0 | 0 | 0 | 113.9 | V170 L172 Y178 A182 I215 M272 S277 C278 | V170-F274 HydrophobicContact CB-CD2 4.32Å; V170-F274 HydrophobicContact CB-CE2 4.12Å; V170-F274 HydrophobicContact CG1-CD2 3.9Å; V170-F274 HydrophobicContact CG1-CE2 4.12Å; L172-F274 HydrophobicContact CD1-CD1 3.82Å; L172-F274 HydrophobicContact CD1-CD2 4.29Å; L172-F274 HydrophobicContact CD1-CE1 3.87Å; L172-F274 HydrophobicContact CD1-CE2 4.35Å; L172-F274 HydrophobicContact CD1-CG 4.03Å; L172-F274 HydrophobicContact CD1-CZ 4.15Å; L172-F274 HydrophobicContact CD2-CB 4.31Å; L172-F274 HydrophobicContact CD2-CD2 4.46Å; L172-F274 HydrophobicContact CD2-CG 4.29Å; Y178-F274 HydrophobicContact CD2-CB 3.59Å; Y178-F274 HydrophobicContact CE2-CB 4.16Å; Y178-F274 HydrophobicContact CG-CB 4.06Å; Y178-F274 HydrophobicContact CG-CD1 4.42Å; A182-F274 HydrophobicContact CB-CE1 4.49Å; I215-F274 HydrophobicContact CD1-CE1 4.26Å; I215-F274 HydrophobicContact CD1-CE2 4.11Å; I215-F274 HydrophobicContact CD1-CZ 3.54Å; I215-F274 HydrophobicContact CG2-CE2 4.42Å; I215-F274 HydrophobicContact CG2-CZ 4.09Å; M272-F274 HydrophobicContact CB-CD1 3.94Å; M272-F274 HydrophobicContact CB-CD2 4.35Å; M272-F274 HydrophobicContact CB-CE1 3.5Å; M272-F274 VanDerWaalsContact CB-CE1 3.5Å; M272-F274 HydrophobicContact CB-CE2 3.95Å; M272-F274 HydrophobicContact CB-CG 4.35Å; M272-F274 HydrophobicContact CB-CZ 3.49Å; M272-F274 VanDerWaalsContact CB-CZ 3.49Å; M272-F274 HydrophobicContact CE-CE1 4.07Å; M272-F274 HydrophobicContact CG-CE1 3.98Å; M272-F274 HydrophobicContact CG-CE2 4.33Å; M272-F274 HydrophobicContact CG-CZ 3.67Å; M272-F274 PolarHBondContact O-N 3.36Å; M272-F274 VanDerWaalsContact O-N 3.09Å; F274-S277 PolarHBondContact O-N 3.47Å; F274-C278 WeakPolarHBondContact O-CB 3.42Å; F274-C278 PolarHBondContact O-N 3.42Å; F274-C278 PolarHBondContact O-SG 3.17Å |
| 275 | T | 77.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | -176.1 | 55 | 0 | 0 | 0 | 0 | 111.2 | V170 C217 M272 C278 L279 | V170-T275 HydrophobicContact CG2-CG2 4.4Å; C217-T275 HydrophobicContact CB-CG2 3.57Å; C217-T275 WeakPolarHBondContact SG-CG2 3.19Å; M272-T275 HydrophobicContact CB-CG2 4.03Å; M272-T275 PolarHBondContact N-OG1 3.12Å; M272-T275 PolarHBondContact O-N 2.67Å; M272-T275 PolarHBondContact O-OG1 3.15Å; T275-C278 PolarHBondContact O-N 3.49Å; T275-L279 WeakPolarHBondContact O-CG 3.03Å; T275-L279 PolarHBondContact O-N 3.1Å |
| 276 | L | 78.1 | Confident | 78.5 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.2 | -36.3 | 174.3 | -71 | 171.1 | 0 | 0 | 0 | 111.7 | F271 C278 L279 W280 F456 M460 | F271-L276 HydrophobicContact CD1-CD1 4.46Å; F271-L276 HydrophobicContact CE1-CD2 4.45Å; L276-C278 VanDerWaalsContact C-N 3.33Å; L276-C278 PolarHBondContact O-N 2.91Å; L276-L279 HydrophobicContact CD2-CD1 4.36Å; L276-L279 PolarHBondContact O-N 2.93Å; L276-W280 WeakPolarHBondContact O-CB 3.38Å; L276-W280 PolarHBondContact O-N 3.29Å; L276-F456 HydrophobicContact CD1-CE1 4.26Å; L276-F456 HydrophobicContact CD1-CZ 3.79Å; L276-M460 HydrophobicContact CB-CE 3.61Å; L276-M460 HydrophobicContact CB-SD 3.54Å; L276-M460 VanDerWaalsContact CB-SD 3.54Å; L276-M460 HydrophobicContact CD1-CE 3.28Å; L276-M460 HydrophobicContact CD1-SD 3.71Å; L276-M460 HydrophobicContact CG-CE 4.06Å; L276-M460 HydrophobicContact CG-SD 4.16Å |
| 277 | S | 78.1 | Confident | 77.4 | Confident | 30 Ų | 30 | 49 Ų | 49 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 173.5 | -58 | 0 | 0 | 0 | 0 | 111.8 | P273 F274 W280 N281 | P273-S277 PolarHBondContact O-OG 2.87Å; P273-S277 VanDerWaalsContact O-OG 3.06Å; F274-S277 PolarHBondContact O-N 3.47Å; S277-W280 PolarHBondContact O-N 3.19Å; S277-N281 WeakPolarHBondContact O-CB 3.32Å; S277-N281 VanDerWaalsContact O-CG 3.3Å; S277-N281 PolarHBondContact O-N 3.26Å; S277-N281 PolarHBondContact O-ND2 2.77Å |
| 278 | C | 78.2 | Confident | 76.4 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 26% | 0.264 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65 | -41.9 | 175.4 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | F274 T275 L276 W280 N281 F282 | F274-C278 WeakPolarHBondContact O-CB 3.42Å; F274-C278 PolarHBondContact O-N 3.42Å; F274-C278 PolarHBondContact O-SG 3.17Å; T275-C278 PolarHBondContact O-N 3.49Å; L276-C278 VanDerWaalsContact C-N 3.33Å; L276-C278 PolarHBondContact O-N 2.91Å; C278-W280 VanDerWaalsContact C-N 3.34Å; C278-N281 PolarHBondContact O-N 2.8Å; C278-F282 WeakPolarHBondContact O-CB 3.5Å; C278-F282 PolarHBondContact O-N 2.89Å |
| 279 | L | 76.6 | Confident | 75 | Confident | 71 Ų | 71 | 54 Ų | 54 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.1 | -72.5 | 170.7 | 0 | 0 | 0 | 111.6 | M168 T275 L276 F282 K283 | M168-L279 HydrophobicContact SD-CD2 4.28Å; T275-L279 WeakPolarHBondContact O-CG 3.03Å; T275-L279 PolarHBondContact O-N 3.1Å; L276-L279 HydrophobicContact CD2-CD1 4.36Å; L276-L279 PolarHBondContact O-N 2.93Å; L279-F282 PolarHBondContact O-N 3.16Å; L279-K283 WeakPolarHBondContact O-CB 3.42Å; L279-K283 PolarHBondContact O-N 3.15Å |
| 280 | W | 75.7 | Confident | 74 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 53% | 0.534 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 175.3 | -170.4 | -91.8 | 0 | 0 | 0 | 111.4 | L276 S277 C278 F282 K283 E284 | L276-W280 WeakPolarHBondContact O-CB 3.38Å; L276-W280 PolarHBondContact O-N 3.29Å; S277-W280 PolarHBondContact O-N 3.19Å; C278-W280 VanDerWaalsContact C-N 3.34Å; W280-F282 VanDerWaalsContact C-N 3.3Å; W280-F282 PolarHBondContact O-N 3.24Å; W280-K283 WeakPolarHBondContact O-CA 3.33Å; W280-K283 WeakPolarHBondContact O-CB 3.33Å; W280-K283 PolarHBondContact O-N 3Å; W280-K283 VanDerWaalsContact O-N 3.08Å; W280-E284 PolarHBondContact O-N 3.28Å |
| 281 | N | 77.1 | Confident | 73.1 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 176.6 | -72.7 | -20.3 | 0 | 0 | 0 | 112.2 | S277 C278 E284 N285 | S277-N281 WeakPolarHBondContact O-CB 3.32Å; S277-N281 VanDerWaalsContact O-CG 3.3Å; S277-N281 PolarHBondContact O-N 3.26Å; S277-N281 PolarHBondContact O-ND2 2.77Å; C278-N281 PolarHBondContact O-N 2.8Å; N281-E284 PolarHBondContact O-N 2.76Å; N281-N285 WeakPolarHBondContact O-CB 3.41Å; N281-N285 PolarHBondContact O-N 3.33Å; N281-N285 PolarHBondContact O-ND2 2.78Å |
| 282 | F | 75 | Confident | 72.4 | Confident | 104 Ų | 104 | 63.7 Ų | 63.7 | 46% | 0.456 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 172.4 | 176.2 | -95.6 | 0 | 0 | 0 | 111.2 | C278 L279 W280 N285 F286 F287 | C278-F282 WeakPolarHBondContact O-CB 3.5Å; C278-F282 PolarHBondContact O-N 2.89Å; L279-F282 PolarHBondContact O-N 3.16Å; W280-F282 VanDerWaalsContact C-N 3.3Å; W280-F282 PolarHBondContact O-N 3.24Å; F282-N285 PolarHBondContact O-N 3.32Å; F282-F286 AromaticContact CD2-CD2 3.79Å; F282-F286 HydrophobicContact CD2-CD2 3.79Å; F282-F286 AromaticContact CD2-CE2 3.78Å; F282-F286 HydrophobicContact CD2-CE2 3.78Å; F282-F286 AromaticContact CE2-CD2 3.54Å; F282-F286 HydrophobicContact CE2-CD2 3.54Å; F282-F286 AromaticContact CE2-CE2 3.42Å; F282-F286 HydrophobicContact CE2-CE2 3.42Å; F282-F286 VanDerWaalsContact CE2-CE2 3.42Å; F282-F286 HydrophobicContact CE2-CG 4.47Å; F282-F286 HydrophobicContact CE2-CZ 4.28Å; F282-F286 HydrophobicContact CG-CD2 4.41Å; F282-F286 AromaticContact CZ-CD2 3.95Å; F282-F286 HydrophobicContact CZ-CD2 3.95Å; F282-F286 HydrophobicContact CZ-CE2 4.18Å; F282-F286 WeakPolarHBondContact O-CD2 3.41Å; F282-F286 PolarHBondContact O-N 3.45Å; F282-F287 HydrophobicContact CE1-CE2 4.48Å |
| 283 | K | 80 | Confident | 72.1 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.5 | 172.5 | -110.8 | 176.1 | -179.6 | 0 | 111.6 | L279 W280 N285 F286 F287 G288 | L279-K283 WeakPolarHBondContact O-CB 3.42Å; L279-K283 PolarHBondContact O-N 3.15Å; W280-K283 WeakPolarHBondContact O-CA 3.33Å; W280-K283 WeakPolarHBondContact O-CB 3.33Å; W280-K283 PolarHBondContact O-N 3Å; W280-K283 VanDerWaalsContact O-N 3.08Å; K283-N285 PolarHBondContact O-N 2.97Å; K283-F286 PolarHBondContact O-N 2.99Å; K283-F287 HydrophobicContact CG-CD2 4.43Å; K283-F287 WeakPolarHBondContact O-CA 3.49Å; K283-F287 WeakPolarHBondContact O-CB 2.83Å; K283-F287 PolarHBondContact O-N 3.4Å; K283-G288 PolarHBondContact O-N 2.92Å |
| 284 | E | 70.1 | Confident | 71.7 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 179.5 | -69.4 | -55.4 | 139.7 | 0 | 0 | 113.3 | W280 N281 G288 | W280-E284 PolarHBondContact O-N 3.28Å; N281-E284 PolarHBondContact O-N 2.76Å; E284-G288 CarbonylContact O-C 3.57Å; E284-G288 WeakPolarHBondContact O-CA 3.32Å; E284-G288 PolarHBondContact O-N 2.96Å; E284-G288 VanDerWaalsContact O-N 3.08Å |
| 285 | N | 71.6 | Confident | 71.3 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.2 | -31.3 | 179.5 | -73.9 | -35.3 | 0 | 0 | 0 | 114.1 | N281 F282 K283 | N281-N285 WeakPolarHBondContact O-CB 3.41Å; N281-N285 PolarHBondContact O-N 3.33Å; N281-N285 PolarHBondContact O-ND2 2.78Å; F282-N285 PolarHBondContact O-N 3.32Å; K283-N285 PolarHBondContact O-N 2.97Å |
| 286 | F | 68.2 | Low | 70.9 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 25% | 0.25 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -103.3 | -32.5 | -176.8 | -78.4 | -86.8 | 0 | 0 | 0 | 113.6 | L94 F96 F282 K283 | L94-F286 HydrophobicContact CB-CZ 4.35Å; F96-F286 HydrophobicContact CD2-CD1 4.45Å; F96-F286 WeakPolarHBondContact CE2-O 3.27Å; F282-F286 AromaticContact CD2-CD2 3.79Å; F282-F286 HydrophobicContact CD2-CD2 3.79Å; F282-F286 AromaticContact CD2-CE2 3.78Å; F282-F286 HydrophobicContact CD2-CE2 3.78Å; F282-F286 AromaticContact CE2-CD2 3.54Å; F282-F286 HydrophobicContact CE2-CD2 3.54Å; F282-F286 AromaticContact CE2-CE2 3.42Å; F282-F286 HydrophobicContact CE2-CE2 3.42Å; F282-F286 VanDerWaalsContact CE2-CE2 3.42Å; F282-F286 HydrophobicContact CE2-CG 4.47Å; F282-F286 HydrophobicContact CE2-CZ 4.28Å; F282-F286 HydrophobicContact CG-CD2 4.41Å; F282-F286 AromaticContact CZ-CD2 3.95Å; F282-F286 HydrophobicContact CZ-CD2 3.95Å; F282-F286 HydrophobicContact CZ-CE2 4.18Å; F282-F286 WeakPolarHBondContact O-CD2 3.41Å; F282-F286 PolarHBondContact O-N 3.45Å; K283-F286 PolarHBondContact O-N 2.99Å |
| 287 | F | 65.2 | Low | 70.3 | Confident | 148 Ų | 148 | 77.9 Ų | 77.9 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -19.5 | -174.8 | -52.1 | -71.7 | 0 | 0 | 0 | 113.2 | F282 K283 R291 | F282-F287 HydrophobicContact CE1-CE2 4.48Å; K283-F287 HydrophobicContact CG-CD2 4.43Å; K283-F287 WeakPolarHBondContact O-CA 3.49Å; K283-F287 WeakPolarHBondContact O-CB 2.83Å; K283-F287 PolarHBondContact O-N 3.4Å; F287-R291 PolarHBondContact O-NH2 2.8Å |
| 288 | G | 64.7 | Low | 69.5 | Low | 9 Ų | 9 | 79.8 Ų | 79.8 | 9% | 0.093 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -82.4 | -156.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K283 E284 R291 | K283-G288 PolarHBondContact O-N 2.92Å; E284-G288 CarbonylContact O-C 3.57Å; E284-G288 WeakPolarHBondContact O-CA 3.32Å; E284-G288 PolarHBondContact O-N 2.96Å; E284-G288 VanDerWaalsContact O-N 3.08Å; G288-R291 WeakPolarHBondContact O-CG 3.23Å; G288-R291 PolarHBondContact O-NE 3.08Å; G288-R291 PolarHBondContact O-NH2 3Å |
| 289 | D | 58.6 | Low | 68.3 | Low | 99 Ų | 99 | 81.8 Ų | 81.8 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -84.3 | -18.2 | -175.4 | -66.1 | -39.6 | 0 | 0 | 0 | 113.3 | R291 T422 | D289-R291 VanDerWaalsContact C-N 3.28Å; D289-R291 PolarHBondContact O-N 2.61Å; D289-T422 WeakPolarHBondContact OD1-CG2 3.4Å; D289-T422 PolarHBondContact OD1-OG1 2.9Å |
| 290 | W | 64 | Low | 67.2 | Low | 103 Ų | 103 | 81.2 Ų | 81.2 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | trans | -86.6 | 55.1 | -174.3 | -51.4 | 113.9 | 0 | 0 | 0 | 113.4 | P469 P470 T472 | W290-P469 HydrophobicContact CH2-CB 3.09Å; W290-P469 HydrophobicContact CH2-CG 4.34Å; W290-P469 HydrophobicContact CZ2-CB 3.62Å; W290-P469 HydrophobicContact CZ3-CB 3.79Å; W290-P470 HydrophobicContact CE3-CG 3.76Å; W290-P470 VanDerWaalsContact CZ3-CD 3.44Å; W290-P470 HydrophobicContact CZ3-CG 3.63Å; W290-T472 HydrophobicContact CZ3-CG2 4.09Å | ||
| 291 | R | 63 | Low | 65.9 | Low | 98 Ų | 98 | 80.1 Ų | 80.1 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | trans | -82.6 | -22.8 | -171.4 | -64.1 | 178 | -169.1 | 166 | 3.2 | 114.7 | F96 F287 G288 D289 | F96-R291 HydrophobicContact CD1-CB 3.72Å; F96-R291 HydrophobicContact CD1-CG 4.36Å; F96-R291 VanDerWaalsContact CD1-O 3.26Å; F96-R291 WeakPolarHBondContact CD1-O 3.48Å; F96-R291 HydrophobicContact CE1-CB 3.75Å; F96-R291 HydrophobicContact CE1-CG 4.15Å; F96-R291 HydrophobicContact CE2-CG 4.4Å; F96-R291 HydrophobicContact CG-CB 4.23Å; F96-R291 HydrophobicContact CZ-CB 4.28Å; F96-R291 HydrophobicContact CZ-CG 4.17Å; F287-R291 PolarHBondContact O-NH2 2.8Å; G288-R291 WeakPolarHBondContact O-CG 3.23Å; G288-R291 PolarHBondContact O-NE 3.08Å; G288-R291 PolarHBondContact O-NH2 3Å; D289-R291 VanDerWaalsContact C-N 3.28Å; D289-R291 PolarHBondContact O-N 2.61Å | ||
| 292 | S | 65.7 | Low | 64.3 | Low | 82 Ų | 82 | 82.7 Ų | 82.7 | 57% | 0.573 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -97.2 | 133.1 | -177.5 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | T294 | S292-T294 PolarHBondContact O-N 2.92Š|
| 293 | F | 70.7 | Confident | 62.9 | Low | 82 Ų | 82 | 79.9 Ų | 79.9 | 36% | 0.36 | 44% | 0.443 | S | S | . | . | trans | -62.4 | 126.2 | 172.5 | 174.6 | -96.6 | 0 | 0 | 0 | 111.3 | D97 D295 | D97-F293 VanDerWaalsContact OD2-CB 3.28Å; D97-F293 WeakPolarHBondContact OD2-CB 3.1Å; D97-F293 PolarHBondContact OD2-N 2.89Å; F293-D295 HydrophobicContact CE1-CB 4.13Å | ||
| 294 | T | 70.3 | Confident | 61.1 | Low | 63 Ų | 63 | 84.2 Ų | 84.2 | 39% | 0.387 | 47% | 0.465 | S | S | . | . | trans | -114.2 | 124.8 | 173.6 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | S292 P470 | S292-T294 PolarHBondContact O-N 2.92Å; T294-P470 HydrophobicContact CG2-CB 4Å | ||
| 295 | D | 69.1 | Low | 59.9 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | trans | -77.6 | 132.7 | 173.9 | -168.9 | -7.8 | 0 | 0 | 0 | 110.3 | F293 A297 T298 | F293-D295 HydrophobicContact CE1-CB 4.13Å; D295-A297 PolarHBondContact O-N 2.93Å; D295-A297 VanDerWaalsContact O-N 3.13Å; D295-A297 PolarHBondContact OD1-N 2.76Å; D295-T298 HydrophobicContact CB-CG2 4.27Å; D295-T298 PolarHBondContact O-N 2.72Å; D295-T298 PolarHBondContact O-OG1 2.8Å | ||
| 296 | L | 68.8 | Low | 58.7 | Low | 68 Ų | 68 | 90.7 Ų | 90.7 | 36% | 0.356 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.3 | 176.7 | -77.7 | 130.4 | 0 | 0 | 0 | 112.8 | T298 | L296-T298 VanDerWaalsContact C-N 3.31Š|
| 297 | A | 66.4 | Low | 57.5 | Low | 80 Ų | 80 | 94.3 Ų | 94.3 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D295 S299 | D295-A297 PolarHBondContact O-N 2.93Å; D295-A297 VanDerWaalsContact O-N 3.13Å; D295-A297 PolarHBondContact OD1-N 2.76Å; A297-S299 PolarHBondContact O-N 3.26Å |
| 298 | T | 60.2 | Low | 56.8 | Low | 71 Ų | 71 | 91.2 Ų | 91.2 | 44% | 0.436 | 51% | 0.51 | S | S | . | . | trans | -74.7 | 110.7 | 178.8 | 49 | 0 | 0 | 0 | 0 | 110.5 | D295 L296 | D295-T298 HydrophobicContact CB-CG2 4.27Å; D295-T298 PolarHBondContact O-N 2.72Å; D295-T298 PolarHBondContact O-OG1 2.8Å; L296-T298 VanDerWaalsContact C-N 3.31Å | ||
| 299 | S | 53.7 | Low | 56.3 | Low | 80 Ų | 80 | 95.3 Ų | 95.3 | 56% | 0.559 | 53% | 0.533 | S | S | * | . | trans | -66.9 | 145.2 | 171.4 | -67.5 | 0 | 0 | 0 | 0 | 109.7 | A297 T301 N302 | A297-S299 PolarHBondContact O-N 3.26Å; S299-T301 PolarHBondContact O-N 2.74Å; S299-N302 PolarHBondContact O-N 3.42Å | ||
| 300 | A | 53.4 | Low | 56.6 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -51.9 | -16.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P471 | A300-P471 HydrophobicContact CB-CB 4.18Å; A300-P471 HydrophobicContact CB-CG 3.56Å |
| 301 | T | 48.3 | Very low | 57 | Low | 117 Ų | 117 | 95.3 Ų | 95.3 | 72% | 0.718 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -78.1 | -18.1 | -172.2 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | S299 | S299-T301 PolarHBondContact O-N 2.74Š|
| 302 | N | 42.8 | Very low | 57.8 | Low | 132 Ų | 132 | 91.7 Ų | 91.7 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -100.7 | 10.7 | -173 | -74.9 | 0.6 | 0 | 0 | 0 | 114.7 | S299 Q304 | S299-N302 PolarHBondContact O-N 3.42Å; N302-Q304 VanDerWaalsContact C-N 3.28Å; N302-Q304 PolarHBondContact O-N 2.85Å |
| 303 | A | 46.6 | Very low | 58.5 | Low | 45 Ų | 45 | 90.6 Ų | 90.6 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | trans | -66.3 | 91.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | R305 L473 | A303-R305 PolarHBondContact O-N 3.36Å; A303-L473 HydrophobicContact CB-CD2 3.56Å; A303-L473 HydrophobicContact CB-CG 3.88Å; A303-L473 WeakPolarHBondContact O-CD2 3.47Å | ||
| 304 | Q | 42.7 | Very low | 58.9 | Low | 174 Ų | 174 | 87.5 Ų | 87.5 | 81% | 0.813 | 52% | 0.515 | S | S | * | . | trans | -56.4 | 109.2 | 173.2 | -83.9 | -178.9 | -24.7 | 0 | 0 | 108.4 | N302 P306 L473 | N302-Q304 VanDerWaalsContact C-N 3.28Å; N302-Q304 PolarHBondContact O-N 2.85Å; Q304-P306 WeakPolarHBondContact O-CD 3.3Å; Q304-P306 VanDerWaalsContact O-N 3.12Å; Q304-L473 VanDerWaalsContact C-CD2 3.46Å; Q304-L473 WeakPolarHBondContact O-CD2 3.44Å | ||
| 305 | R | 43.3 | Very low | 59.3 | Low | 194 Ų | 194 | 86.5 Ų | 86.5 | 73% | 0.732 | 51% | 0.507 | S | S | * | . | trans | -47.5 | 119.9 | 169.2 | -75.7 | 178.7 | 179.5 | 155.2 | -1.4 | 107.7 | A303 T307 | A303-R305 PolarHBondContact O-N 3.36Å; R305-T307 PolarHBondContact O-N 3.09Å | ||
| 306 | P | 47 | Very low | 59.7 | Low | 61 Ų | 61 | 85.2 Ų | 85.2 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | trans | -59.9 | 114.8 | 165.3 | 23.8 | -29.3 | 0 | 0 | 0 | 105.7 | Q304 T308 F474 | Q304-P306 WeakPolarHBondContact O-CD 3.3Å; Q304-P306 VanDerWaalsContact O-N 3.12Å; P306-T308 PolarHBondContact O-N 2.8Å; P306-F474 HydrophobicContact CG-CE1 4.48Å | ||
| 307 | T | 43.7 | Very low | 60.1 | Low | 133 Ų | 133 | 82 Ų | 82 | 82% | 0.816 | 49% | 0.485 | S | S | * | . | trans | -65.9 | 88 | 165.4 | 41.1 | 0 | 0 | 0 | 0 | 106 | R305 T309 | R305-T307 PolarHBondContact O-N 3.09Å; T307-T309 PolarHBondContact O-N 2.79Å | ||
| 308 | T | 50.4 | Low | 60.8 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | trans | -65 | 100 | 173.7 | 31.6 | 0 | 0 | 0 | 0 | 107.7 | P306 A310 | P306-T308 PolarHBondContact O-N 2.8Å; T308-A310 PolarHBondContact O-N 3.07Å | ||
| 309 | T | 52.8 | Low | 61.5 | Low | 95 Ų | 95 | 82 Ų | 82 | 58% | 0.583 | 46% | 0.462 | S | S | * | . | trans | -55.1 | 132.1 | 155.4 | 47 | 0 | 0 | 0 | 0 | 107.1 | T307 E311 | T307-T309 PolarHBondContact O-N 2.79Å; T309-E311 PolarHBondContact O-N 3.29Å; T309-E311 PolarHBondContact OG1-O 3.31Å; T309-E311 VanDerWaalsContact OG1-O 3.06Å | ||
| 310 | A | 65.5 | Low | 62.6 | Low | 80 Ų | 80 | 83.3 Ų | 83.3 | 66% | 0.661 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -56.4 | -25.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T245 A246 T308 | T245-A310 WeakPolarHBondContact CA-O 3.34Å; A246-A310 PolarHBondContact N-O 3Å; T308-A310 PolarHBondContact O-N 3.07Å |
| 311 | E | 73.5 | Confident | 64 | Low | 122 Ų | 122 | 82.4 Ų | 82.4 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.9 | 178.1 | -63.9 | 179.1 | 174 | 0 | 0 | 111.4 | P243 V244 T309 | P243-E311 HydrophobicContact CB-CB 4.23Å; V244-E311 CarbonylContact O-C 3.55Å; V244-E311 VanDerWaalsContact O-CA 3.28Å; V244-E311 WeakPolarHBondContact O-CA 3.36Å; T309-E311 PolarHBondContact O-N 3.29Å; T309-E311 PolarHBondContact OG1-O 3.31Å; T309-E311 VanDerWaalsContact OG1-O 3.06Å |
| 312 | V | 78 | Confident | 65.7 | Low | 22 Ų | 22 | 77.6 Ų | 77.6 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.7 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | V244 V316 F419 | V244-V312 PolarHBondContact N-O 3.26Å; V244-V312 PolarHBondContact O-N 3.42Å; V312-V316 HydrophobicContact CG1-CB 3.71Å; V312-V316 HydrophobicContact CG1-CG1 3.91Å; V312-V316 HydrophobicContact CG1-CG2 3.95Å; V312-F419 HydrophobicContact CB-CE1 4.15Å; V312-F419 HydrophobicContact CB-CZ 4.39Å; V312-F419 HydrophobicContact CG1-CE1 4.33Å; V312-F419 HydrophobicContact CG1-CZ 4.06Å; V312-F419 HydrophobicContact CG2-CE1 3.83Å; V312-F419 HydrophobicContact CG2-CZ 4.23Å |
| 313 | P | 80.8 | Confident | 67.7 | Low | 59 Ų | 59 | 74.5 Ų | 74.5 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 141.9 | 175.5 | -22.9 | 33.1 | 0 | 0 | 0 | 112.5 | D315 V316 | P313-D315 PolarHBondContact O-N 3.09Å; P313-V316 HydrophobicContact CB-CG2 4.43Å; P313-V316 WeakPolarHBondContact O-CB 3.45Å; P313-V316 PolarHBondContact O-N 2.86Å |
| 314 | L | 79.6 | Confident | 69.7 | Low | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57 | -33.9 | -179.6 | -176 | 61.9 | 0 | 0 | 0 | 112.8 | L235 D239 K242 V244 V316 V317 V318 | L235-L314 HydrophobicContact CD1-CD2 3.62Å; L235-L314 HydrophobicContact CD1-CG 3.7Å; D239-L314 HydrophobicContact CB-CD2 4.44Å; K242-L314 HydrophobicContact CB-CB 4.47Å; K242-L314 PolarHBondContact O-N 3.4Å; V244-L314 HydrophobicContact CG2-CB 3.59Å; V244-L314 HydrophobicContact CG2-CD1 3.83Å; V244-L314 HydrophobicContact CG2-CG 4.26Å; L314-V316 PolarHBondContact O-N 2.78Å; L314-V317 HydrophobicContact CD1-CB 4.39Å; L314-V317 WeakPolarHBondContact O-CA 3.27Å; L314-V317 WeakPolarHBondContact O-CB 3.42Å; L314-V317 PolarHBondContact O-N 3.46Å; L314-V318 HydrophobicContact CD1-CG2 4.23Å; L314-V318 HydrophobicContact CG-CG2 4.06Å; L314-V318 VanDerWaalsContact O-CG2 3.28Å; L314-V318 WeakPolarHBondContact O-CG2 3.35Å; L314-V318 PolarHBondContact O-N 3.1Å |
| 315 | D | 78 | Confident | 71.9 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.7 | -31.2 | 176.3 | -169.4 | 60.7 | 0 | 0 | 0 | 113.3 | K240 P313 | K240-D315 HydrophobicContact CB-CB 4.19Å; K240-D315 HydrophobicContact CG-CB 4.35Å; K240-D315 WeakPolarHBondContact O-CB 3.17Å; K240-D315 PolarHBondContact O-N 2.9Å; P313-D315 PolarHBondContact O-N 3.09Å |
| 316 | V | 77.4 | Confident | 74.2 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.7 | -39.4 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | V312 P313 L314 Y320 F419 | V312-V316 HydrophobicContact CG1-CB 3.71Å; V312-V316 HydrophobicContact CG1-CG1 3.91Å; V312-V316 HydrophobicContact CG1-CG2 3.95Å; P313-V316 HydrophobicContact CB-CG2 4.43Å; P313-V316 WeakPolarHBondContact O-CB 3.45Å; P313-V316 PolarHBondContact O-N 2.86Å; L314-V316 PolarHBondContact O-N 2.78Å; V316-Y320 WeakPolarHBondContact O-CD2 3.23Å; V316-F419 HydrophobicContact CG1-CE2 4.11Å; V316-F419 HydrophobicContact CG1-CZ 4.27Å |
| 317 | V | 78.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -38.1 | -179.1 | 179 | 0 | 0 | 0 | 0 | 111.1 | Y248 I250 L314 R319 Y320 F419 | Y248-V317 HydrophobicContact CD1-CG1 3.58Å; Y248-V317 HydrophobicContact CE1-CG1 4.22Å; Y248-V317 HydrophobicContact CG-CG1 4.22Å; I250-V317 HydrophobicContact CG2-CG1 4.41Å; L314-V317 HydrophobicContact CD1-CB 4.39Å; L314-V317 WeakPolarHBondContact O-CA 3.27Å; L314-V317 WeakPolarHBondContact O-CB 3.42Å; L314-V317 PolarHBondContact O-N 3.46Å; V317-R319 PolarHBondContact O-N 3.16Å; V317-R319 VanDerWaalsContact O-N 3.16Å; V317-Y320 WeakPolarHBondContact O-CB 3.4Å; V317-Y320 PolarHBondContact O-N 3.35Å; V317-F419 HydrophobicContact CB-CD2 4.42Å; V317-F419 HydrophobicContact CG1-CB 4.07Å; V317-F419 HydrophobicContact CG1-CG 4.39Å; V317-F419 HydrophobicContact CG2-CB 4.4Å; V317-F419 HydrophobicContact CG2-CD1 4.14Å; V317-F419 HydrophobicContact CG2-CD2 4.04Å; V317-F419 HydrophobicContact CG2-CE2 4.39Å; V317-F419 HydrophobicContact CG2-CG 3.93Å |
| 318 | V | 80.4 | Confident | 78.6 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -22.6 | -178.9 | 175.4 | 0 | 0 | 0 | 0 | 113.2 | L235 L253 L314 Y320 R321 | L235-V318 HydrophobicContact CD1-CB 4.33Å; L235-V318 HydrophobicContact CD1-CG2 3.31Å; L235-V318 HydrophobicContact CG-CG2 4.2Å; L253-V318 HydrophobicContact CD1-CG2 4.38Å; L253-V318 HydrophobicContact CD2-CG2 4.39Å; L314-V318 HydrophobicContact CD1-CG2 4.23Å; L314-V318 HydrophobicContact CG-CG2 4.06Å; L314-V318 VanDerWaalsContact O-CG2 3.28Å; L314-V318 WeakPolarHBondContact O-CG2 3.35Å; L314-V318 PolarHBondContact O-N 3.1Å; V318-Y320 PolarHBondContact O-N 2.99Å; V318-R321 VanDerWaalsContact O-CB 3.25Å; V318-R321 WeakPolarHBondContact O-CB 3.46Å; V318-R321 PolarHBondContact O-N 2.79Å; V318-R321 VanDerWaalsContact O-N 3.11Å |
| 319 | R | 75.1 | Confident | 80.5 | Confident | 130 Ų | 130 | 48.9 Ų | 48.9 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.9 | 172.6 | -61.3 | 179.8 | -175.1 | -165.6 | -3.7 | 113.6 | V317 | V317-R319 PolarHBondContact O-N 3.16Å; V317-R319 VanDerWaalsContact O-N 3.16Å |
| 320 | Y | 76.2 | Confident | 82.4 | Confident | 108 Ų | 108 | 45.9 Ų | 45.9 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 21 | 176.7 | -60.2 | -89.9 | 0 | 0 | 0 | 111.9 | V316 V317 V318 F419 N420 | V316-Y320 WeakPolarHBondContact O-CD2 3.23Å; V317-Y320 WeakPolarHBondContact O-CB 3.4Å; V317-Y320 PolarHBondContact O-N 3.35Å; V318-Y320 PolarHBondContact O-N 2.99Å; Y320-F419 AromaticContact CD2-CD2 3.76Å; Y320-F419 HydrophobicContact CD2-CD2 3.76Å; Y320-F419 AromaticContact CD2-CE2 3.93Å; Y320-F419 HydrophobicContact CD2-CE2 3.93Å; Y320-F419 HydrophobicContact CE2-CD2 4.06Å; Y320-F419 AromaticContact CE2-CE2 3.77Å; Y320-F419 HydrophobicContact CE2-CE2 3.77Å; Y320-F419 HydrophobicContact CG-CD2 4.41Å; Y320-N420 HydrophobicContact CD1-CB 4.46Å; Y320-N420 HydrophobicContact CE1-CB 3.95Å; Y320-N420 HydrophobicContact CE2-CB 4.27Å |
| 321 | R | 82.5 | Confident | 83.6 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | trans | -50.1 | 137.8 | 174.8 | -177.5 | 176.4 | -68.6 | -96.3 | 5.6 | 110.5 | L253 A254 D256 V318 | L253-R321 HydrophobicContact CB-CG 4.35Å; L253-R321 HydrophobicContact CD1-CB 4.48Å; A254-R321 WeakPolarHBondContact O-CD 3.28Å; A254-R321 WeakPolarHBondContact O-CG 3.43Å; A254-R321 PolarHBondContact O-NH1 2.97Å; D256-R321 VanDerWaalsContact OD1-CD 3.29Å; D256-R321 WeakPolarHBondContact OD1-CD 3.22Å; V318-R321 VanDerWaalsContact O-CB 3.25Å; V318-R321 WeakPolarHBondContact O-CB 3.46Å; V318-R321 PolarHBondContact O-N 2.79Å; V318-R321 VanDerWaalsContact O-N 3.11Å | ||
| 322 | P | 84 | Confident | 84.4 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | trans | -61.1 | 149 | 177.7 | 22 | -30.5 | 0 | 0 | 0 | 111.3 | I250 F251 P255 D256 L369 | I250-P322 WeakPolarHBondContact O-CD 3.27Å; F251-P322 HydrophobicContact CD1-CB 4.49Å; P255-P322 CarbonylContact C-O 3.41Å; P255-P322 VanDerWaalsContact CA-O 3.24Å; P255-P322 WeakPolarHBondContact CA-O 3.43Å; P255-P322 HydrophobicContact CB-CB 4.34Å; P255-P322 HydrophobicContact CB-CG 4.16Å; D256-P322 PolarHBondContact N-O 2.99Å; P322-L369 HydrophobicContact CB-CG 4.2Å; P322-L369 HydrophobicContact CG-CD1 4.32Å; P322-L369 HydrophobicContact CG-CD2 4.03Å; P322-L369 HydrophobicContact CG-CG 4.11Å | ||
| 323 | L | 84.8 | Confident | 84.9 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114 | 177.1 | 179.1 | 69 | 0 | 0 | 0 | 108.8 | Y229 D256 L258 V325 | Y229-L323 HydrophobicContact CD2-CD1 4.44Å; Y229-L323 HydrophobicContact CE2-CD1 3.67Å; D256-L323 HydrophobicContact CB-CD1 3.87Å; D256-L323 CarbonylContact O-C 3.51Å; L258-L323 HydrophobicContact CB-CD1 4.11Å; L323-V325 HydrophobicContact CD2-CG2 3.75Å; L323-V325 HydrophobicContact CG-CG2 3.69Å |
| 324 | D | 89.6 | Confident | 85.2 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.4 | 167.7 | -74.4 | 2.9 | 0 | 0 | 0 | 108.9 | P255 D256 V257 L258 K367 Y368 | P255-D324 HydrophobicContact CB-CB 4.18Å; P255-D324 VanDerWaalsContact CB-CG 3.45Å; P255-D324 WeakPolarHBondContact CB-OD1 3.25Å; P255-D324 HydrophobicContact CG-CB 4.44Å; P255-D324 VanDerWaalsContact CG-CG 3.48Å; P255-D324 WeakPolarHBondContact CG-OD2 3.4Å; D256-D324 PolarHBondContact O-N 3.02Å; V257-D324 CarbonylContact C-O 3.55Å; V257-D324 WeakPolarHBondContact CA-O 3.41Å; V257-D324 HydrophobicContact CG2-CB 4.43Å; L258-D324 PolarHBondContact N-O 3.47Å; D324-K367 CarbonylContact C-O 3.42Å; D324-K367 WeakPolarHBondContact CA-O 3.23Å; D324-Y368 WeakPolarHBondContact OD1-CA 3.34Å |
| 325 | V | 88.3 | Confident | 85.6 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.7 | -171.7 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | L258 L323 V327 E366 K367 | L258-V325 HydrophobicContact CB-CG2 4.47Å; L258-V325 HydrophobicContact CD2-CG1 4.4Å; L258-V325 CarbonylContact O-C 3.48Å; L258-V325 WeakPolarHBondContact O-CA 3.36Å; L323-V325 HydrophobicContact CD2-CG2 3.75Å; L323-V325 HydrophobicContact CG-CG2 3.69Å; V325-V327 HydrophobicContact CG1-CG2 3.51Å; V325-E366 CarbonylContact O-C 3.57Å; V325-E366 VanDerWaalsContact O-CA 3.3Å; V325-E366 WeakPolarHBondContact O-CA 3.35Å; V325-K367 HydrophobicContact CB-CB 4.18Å; V325-K367 PolarHBondContact N-O 2.64Å; V325-K367 PolarHBondContact O-N 3Å |
| 326 | H | 91.2 | Very high | 86 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 9% | 0.088 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.6 | 168.7 | -59.6 | -92 | 0 | 0 | 0 | 108.3 | L258 W259 L260 M365 E366 Y368 | L258-H326 PolarHBondContact O-N 3.19Å; W259-H326 CarbonylContact C-O 3.51Å; W259-H326 WeakPolarHBondContact CA-O 3.45Å; W259-H326 HydrophobicContact CD2-CB 3.86Å; W259-H326 AromaticContact CE2-CD2 3.61Å; W259-H326 AromaticContact CE2-CG 3.92Å; W259-H326 HydrophobicContact CE3-CB 3.77Å; W259-H326 HydrophobicContact CG-CB 4.36Å; W259-H326 HydrophobicContact CH2-CB 4.4Å; W259-H326 HydrophobicContact CZ2-CB 4.48Å; W259-H326 AromaticContact CZ2-CD2 3.74Å; W259-H326 AromaticContact CZ2-CG 3.9Å; W259-H326 AromaticContact CZ2-NE2 3.86Å; W259-H326 HydrophobicContact CZ3-CB 4.06Å; W259-H326 AromaticContact NE1-CD2 3.77Å; L260-H326 PolarHBondContact N-O 3.46Å; H326-M365 CarbonylContact C-O 3.58Å; H326-M365 WeakPolarHBondContact CA-O 3.29Å; H326-E366 IonicContact ND1-OE1 3.68Å; H326-Y368 AromaticContact CE1-CE1 3.63Å; H326-Y368 AromaticContact CE1-CZ 3.68Å; H326-Y368 PolarHBondContact CE1-OH 2.91Å; H326-Y368 AromaticContact NE2-CE1 3.91Å |
| 327 | V | 90.8 | Very high | 86.2 | Confident | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127 | 179.1 | 171.7 | 0 | 0 | 0 | 0 | 109.3 | L260 V325 V329 F363 Q364 M365 | L260-V327 HydrophobicContact CB-CG2 4.13Å; L260-V327 HydrophobicContact CD2-CG1 4.11Å; L260-V327 CarbonylContact O-C 3.47Å; L260-V327 VanDerWaalsContact O-CA 3.28Å; L260-V327 WeakPolarHBondContact O-CA 3.35Å; V325-V327 HydrophobicContact CG1-CG2 3.51Å; V327-V329 HydrophobicContact CG1-CG2 3.88Å; V327-F363 HydrophobicContact CG1-CD1 4.34Å; V327-F363 HydrophobicContact CG1-CE1 3.92Å; V327-Q364 CarbonylContact O-C 3.49Å; V327-Q364 WeakPolarHBondContact O-CA 3.42Å; V327-M365 HydrophobicContact CB-CB 4.26Å; V327-M365 PolarHBondContact N-O 3.04Å; V327-M365 PolarHBondContact O-N 3.18Å |
| 328 | E | 92.1 | Very high | 86.3 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 23% | 0.229 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.9 | 168.9 | -64.4 | -171.4 | -156.7 | 0 | 0 | 109.2 | L260 N261 L262 Y362 F363 Q364 | L260-E328 PolarHBondContact O-N 2.99Å; N261-E328 CarbonylContact C-O 3.4Å; N261-E328 VanDerWaalsContact CA-O 3.31Å; N261-E328 WeakPolarHBondContact CA-O 3.43Å; L262-E328 PolarHBondContact N-O 2.72Å; E328-Y362 PolarHBondContact OE2-OH 2.87Å; E328-F363 CarbonylContact C-O 3.44Å; E328-F363 WeakPolarHBondContact CA-O 3.47Å; E328-Q364 HydrophobicContact CG-CG 4.46Å |
| 329 | V | 91.4 | Very high | 86 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.8 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 109 | L262 V327 L331 Y362 F363 | L262-V329 HydrophobicContact CB-CB 4.49Å; L262-V329 HydrophobicContact CB-CG1 4.32Å; L262-V329 HydrophobicContact CB-CG2 4.11Å; L262-V329 HydrophobicContact CD2-CG1 3.79Å; L262-V329 HydrophobicContact CD2-CG2 4.06Å; L262-V329 HydrophobicContact CG-CG1 4.02Å; L262-V329 CarbonylContact O-C 3.5Å; L262-V329 VanDerWaalsContact O-CA 3.25Å; L262-V329 WeakPolarHBondContact O-CA 3.36Å; V327-V329 HydrophobicContact CG1-CG2 3.88Å; V329-L331 HydrophobicContact CG1-CD2 4.08Å; V329-L331 HydrophobicContact CG1-CG 4.42Å; V329-Y362 CarbonylContact O-C 3.47Å; V329-Y362 WeakPolarHBondContact O-CA 3.38Å; V329-F363 HydrophobicContact CB-CB 4.13Å; V329-F363 HydrophobicContact CB-CD1 3.99Å; V329-F363 HydrophobicContact CG2-CD1 3.68Å; V329-F363 HydrophobicContact CG2-CE1 4.34Å; V329-F363 PolarHBondContact N-O 3.09Å; V329-F363 PolarHBondContact O-N 3.13Å |
| 330 | I | 92.3 | Very high | 85.5 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 16% | 0.164 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.3 | 179 | -43.9 | -169.9 | 0 | 0 | 0 | 108.8 | L262 E263 I264 T332 L361 Y362 | L262-I330 PolarHBondContact O-N 2.8Å; E263-I330 CarbonylContact C-O 3.59Å; E263-I330 WeakPolarHBondContact CA-O 3.39Å; E263-I330 HydrophobicContact CG-CB 4.33Å; E263-I330 HydrophobicContact CG-CD1 4.5Å; E263-I330 HydrophobicContact CG-CG1 4.46Å; I264-I330 PolarHBondContact N-O 2.72Å; I330-T332 HydrophobicContact CG2-CG2 4.1Å; I330-L361 WeakPolarHBondContact CA-O 3.36Å; I330-Y362 HydrophobicContact CD1-CD2 4.07Å; I330-Y362 HydrophobicContact CD1-CE2 4Å; I330-Y362 HydrophobicContact CG1-CD2 3.8Å; I330-Y362 HydrophobicContact CG1-CE2 3.99Å |
| 331 | L | 91.3 | Very high | 84.8 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.6 | 170.2 | -47 | 178.4 | 0 | 0 | 0 | 108.7 | W218 I264 V329 I334 K360 L361 | W218-L331 HydrophobicContact CH2-CD1 4.44Å; W218-L331 HydrophobicContact CH2-CD2 4.41Å; W218-L331 HydrophobicContact CZ2-CD1 4.13Å; W218-L331 HydrophobicContact CZ2-CD2 3.99Å; I264-L331 HydrophobicContact CB-CD2 3.58Å; I264-L331 HydrophobicContact CD1-CD2 3.53Å; I264-L331 HydrophobicContact CG1-CD2 3.64Å; I264-L331 HydrophobicContact CG2-CD2 4.5Å; I264-L331 WeakPolarHBondContact O-CA 3.4Å; V329-L331 HydrophobicContact CG1-CD2 4.08Å; V329-L331 HydrophobicContact CG1-CG 4.42Å; L331-I334 HydrophobicContact CB-CD1 3.53Å; L331-I334 HydrophobicContact CB-CG1 4.09Å; L331-I334 HydrophobicContact CD1-CD1 3.99Å; L331-I334 HydrophobicContact CG-CD1 4.41Å; L331-K360 CarbonylContact O-C 3.57Å; L331-K360 VanDerWaalsContact O-CA 3.27Å; L331-K360 WeakPolarHBondContact O-CA 3.41Å; L331-L361 HydrophobicContact CB-CB 4.13Å; L331-L361 HydrophobicContact CD1-CB 4.34Å; L331-L361 HydrophobicContact CD1-CD1 4.19Å; L331-L361 HydrophobicContact CD1-CD2 3.99Å; L331-L361 HydrophobicContact CD1-CG 4.41Å; L331-L361 HydrophobicContact CG-CB 4.41Å; L331-L361 HydrophobicContact CG-CD2 4.12Å; L331-L361 PolarHBondContact N-O 2.98Å; L331-L361 PolarHBondContact O-N 3.21Å |
| 332 | T | 89.7 | Confident | 83.5 | Confident | 29 Ų | 29 | 22.9 Ų | 22.9 | 18% | 0.178 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 152.3 | 178.2 | 69 | 0 | 0 | 0 | 0 | 112.6 | I264 S265 P266 C267 I330 D359 K360 | I264-T332 PolarHBondContact O-N 3.13Å; S265-T332 WeakPolarHBondContact CB-OG1 3.36Å; S265-T332 PolarHBondContact OG-OG1 3.42Å; P266-T332 WeakPolarHBondContact CA-O 3.2Å; C267-T332 PolarHBondContact N-O 2.71Å; I330-T332 HydrophobicContact CG2-CG2 4.1Å; T332-D359 CarbonylContact C-O 3.07Å; T332-D359 VanDerWaalsContact CA-O 3.23Å; T332-D359 WeakPolarHBondContact CA-O 3.4Å; T332-K360 HydrophobicContact CG2-CG 4.16Å |
| 333 | S | 87.6 | Confident | 81.9 | Confident | 66 Ų | 66 | 23.2 Ų | 23.2 | 46% | 0.462 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 61.8 | 179 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | C267 D359 | C267-S333 PolarHBondContact N-O 3.04Å; S333-D359 PolarHBondContact N-O 3.38Å |
| 334 | I | 88.1 | Confident | 80.5 | Confident | 9 Ų | 9 | 21.2 Ų | 21.2 | 5% | 0.046 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130 | -176.1 | -45.1 | -175.8 | 0 | 0 | 0 | 110.9 | C267 I269 L331 A336 L358 L361 | C267-I334 HydrophobicContact CB-CG1 4.21Å; C267-I334 HydrophobicContact CB-CG2 4.46Å; C267-I334 CarbonylContact O-C 3.56Å; C267-I334 VanDerWaalsContact O-CA 3.23Å; C267-I334 WeakPolarHBondContact O-CA 3.44Å; I269-I334 HydrophobicContact CD1-CG2 3.83Å; I269-I334 HydrophobicContact CG1-CG2 4.33Å; L331-I334 HydrophobicContact CB-CD1 3.53Å; L331-I334 HydrophobicContact CB-CG1 4.09Å; L331-I334 HydrophobicContact CD1-CD1 3.99Å; L331-I334 HydrophobicContact CG-CD1 4.41Å; I334-A336 HydrophobicContact CG2-CB 4.44Å; I334-L358 WeakPolarHBondContact CA-O 3.26Å; I334-L358 HydrophobicContact CB-CB 4.15Å; I334-L358 HydrophobicContact CB-CD2 4.46Å; I334-L358 HydrophobicContact CD1-CD2 3.56Å; I334-L358 HydrophobicContact CG1-CD2 4.23Å; I334-L358 PolarHBondContact N-O 3.25Å; I334-L358 PolarHBondContact O-N 3.28Å; I334-L361 HydrophobicContact CD1-CB 3.68Å |
| 335 | R | 87.2 | Confident | 78.5 | Confident | 39 Ų | 39 | 21.5 Ų | 21.5 | 15% | 0.147 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.3 | 166.1 | -63.2 | 178.7 | 178 | -178.1 | -4.1 | 109 | V195 D198 C267 N268 I269 Y357 L816 | V195-R335 HydrophobicContact CG1-CB 4.49Å; D198-R335 IonicContact OD2-CZ 3.58Å; D198-R335 IonicContact OD2-NH1 2.63Å; D198-R335 PolarHBondContact OD2-NH1 2.9Å; C267-R335 PolarHBondContact O-N 2.87Å; N268-R335 CarbonylContact C-O 3.53Å; N268-R335 WeakPolarHBondContact CA-O 3.38Å; I269-R335 PolarHBondContact N-O 3.41Å; R335-Y357 HydrophobicContact CG-CD1 3.9Å; R335-Y357 HydrophobicContact CG-CE1 3.98Å; R335-L816 VanDerWaalsContact NH2-CB 3.28Å |
| 336 | A | 86.1 | Confident | 76.4 | Confident | 10 Ų | 10 | 22.4 Ų | 22.4 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 111.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I269 F271 I334 V356 | I269-A336 HydrophobicContact CB-CB 4.46Å; I269-A336 CarbonylContact O-C 3.55Å; I269-A336 VanDerWaalsContact O-CA 3.28Å; I269-A336 WeakPolarHBondContact O-CA 3.14Å; F271-A336 HydrophobicContact CD2-CB 3.87Å; F271-A336 HydrophobicContact CE2-CB 3.63Å; I334-A336 HydrophobicContact CG2-CB 4.44Å; A336-V356 HydrophobicContact CB-CB 4.25Å; A336-V356 PolarHBondContact N-O 3.33Å; A336-V356 PolarHBondContact O-N 3.23Å |
| 337 | L | 83.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.5 | 171.2 | -175.9 | 68.2 | 0 | 0 | 0 | 109 | T192 V195 I269 F271 K353 L355 | T192-L337 HydrophobicContact CG2-CD2 4.37Å; V195-L337 HydrophobicContact CG2-CB 4.19Å; V195-L337 HydrophobicContact CG2-CD2 4.41Å; I269-L337 PolarHBondContact O-N 3.14Å; F271-L337 PolarHBondContact N-O 3.24Å; L337-K353 HydrophobicContact CD1-CB 3.84Å; L337-K353 HydrophobicContact CD1-CD 4.46Å; L337-L355 HydrophobicContact CB-CD1 4.29Å |
| 338 | L | 81 | Confident | 72.4 | Confident | 28 Ų | 28 | 22.1 Ų | 22.1 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.8 | 172.1 | 178.2 | 73.5 | 0 | 0 | 0 | 109.4 | F271 P354 V453 F456 | F271-L338 HydrophobicContact CB-CD1 4.06Å; L338-P354 HydrophobicContact CB-CB 4.47Å; L338-P354 HydrophobicContact CB-CG 3.96Å; L338-P354 HydrophobicContact CD2-CG 4.22Å; L338-P354 HydrophobicContact CG-CG 4.39Å; L338-P354 PolarHBondContact N-O 3.09Å; L338-V453 HydrophobicContact CD2-CG2 3.56Å; L338-F456 HydrophobicContact CD1-CB 4.12Å; L338-F456 HydrophobicContact CD1-CD1 4Å; L338-F456 HydrophobicContact CD1-CD2 3.47Å; L338-F456 VanDerWaalsContact CD1-CD2 3.47Å; L338-F456 HydrophobicContact CD1-CE1 4.26Å; L338-F456 HydrophobicContact CD1-CE2 3.75Å; L338-F456 HydrophobicContact CD1-CG 3.6Å; L338-F456 HydrophobicContact CD1-CZ 4.13Å |
| 339 | S | 73.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -143.6 | 112 | 178.8 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | F271 M272 T341 | F271-S339 PolarHBondContact O-N 2.87Å; M272-S339 WeakPolarHBondContact CE-O 3.27Å; M272-S339 VanDerWaalsContact SD-CB 3.5Å; M272-S339 VanDerWaalsContact SD-O 3.34Å; S339-T341 PolarHBondContact OG-O 3.48Å; S339-T341 VanDerWaalsContact OG-O 3.07Å | ||
| 340 | G | 63.7 | Low | 68.6 | Low | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -75.7 | -31.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E452 L459 | G340-E452 WeakPolarHBondContact CA-OE2 3.11Å; G340-E452 PolarHBondContact N-OE2 3.39Å; G340-L459 VanDerWaalsContact O-CD1 3.24Å; G340-L459 WeakPolarHBondContact O-CD1 3.5Å |
| 341 | T | 61.3 | Low | 66.9 | Low | 10 Ų | 10 | 25.6 Ų | 25.6 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | trans | -140.8 | 154.9 | 176.7 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | S339 L459 V909 | S339-T341 PolarHBondContact OG-O 3.48Å; S339-T341 VanDerWaalsContact OG-O 3.07Å; T341-L459 HydrophobicContact CG2-CD1 4.44Å; T341-V909 HydrophobicContact CG2-CG2 3.74Å | ||
| 342 | C | 55.1 | Low | 65.7 | Low | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.054 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -94 | -5.1 | -178.4 | -65.7 | 0 | 0 | 0 | 0 | 114.5 | F181 Y186 M272 | F181-C342 WeakPolarHBondContact O-CB 3.4Å; F181-C342 PolarHBondContact O-N 3.02Å; Y186-C342 HydrophobicContact CD2-CB 3.67Å; Y186-C342 WeakPolarHBondContact CD2-SG 3.34Å; Y186-C342 HydrophobicContact CE2-CB 4.11Å; Y186-C342 VanDerWaalsContact CE2-SG 3.51Å; M272-C342 WeakPolarHBondContact CE-SG 3.27Å |
| 343 | L | 52 | Low | 64.9 | Low | 23 Ų | 23 | 24.2 Ų | 24.2 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -96.1 | -24.5 | -151.4 | -69.2 | 160.6 | 0 | 0 | 0 | 114.8 | T905 | L343-T905 HydrophobicContact CB-CG2 3.34Å; L343-T905 HydrophobicContact CD1-CG2 3.81Å; L343-T905 HydrophobicContact CG-CG2 4.19Å |
| 344 | E | 54.2 | Low | 64.7 | Low | 25 Ų | 25 | 21.1 Ų | 21.1 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | trans | -135.7 | 80.4 | -175.7 | -75.7 | -179.1 | -118.3 | 0 | 0 | 113 | A346 T903 G904 T905 | E344-A346 PolarHBondContact O-N 3.39Å; E344-T903 HydrophobicContact CB-CG2 4.34Å; E344-T903 WeakPolarHBondContact OE2-CB 3.34Å; E344-T903 WeakPolarHBondContact OE2-CG2 3.41Å; E344-G904 PolarHBondContact OE1-N 3.49Å; E344-T905 VanDerWaalsContact CD-OG1 3.29Å; E344-T905 HydrophobicContact CG-CG2 4.02Å; E344-T905 WeakPolarHBondContact OE1-CB 3.35Å; E344-T905 WeakPolarHBondContact OE1-CG2 3.39Å; E344-T905 PolarHBondContact OE1-N 3.28Å; E344-T905 PolarHBondContact OE1-OG1 3.38Å | ||
| 345 | E | 47.7 | Very low | 64.4 | Low | 25 Ų | 25 | 20.8 Ų | 20.8 | 12% | 0.117 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.7 | -22.6 | 167.3 | -59.5 | -154 | 126.9 | 0 | 0 | 112.5 | A189 E190 S191 M348 N349 K353 | A189-E345 VanDerWaalsContact CA-OE2 3.26Å; A189-E345 WeakPolarHBondContact CA-OE2 3.39Å; A189-E345 VanDerWaalsContact CB-OE1 3.28Å; A189-E345 WeakPolarHBondContact CB-OE1 3.32Å; A189-E345 WeakPolarHBondContact CB-OE2 3.3Å; E190-E345 PolarHBondContact N-OE2 2.88Å; S191-E345 PolarHBondContact OG-OE1 2.95Å; E345-M348 CarbonylContact O-C 3.58Å; E345-M348 PolarHBondContact O-N 2.82Å; E345-N349 WeakPolarHBondContact O-CB 3.31Å; E345-N349 PolarHBondContact O-N 2.83Å; E345-N349 PolarHBondContact O-OD1 3.08Å; E345-N349 VanDerWaalsContact O-OD1 3.12Å; E345-K353 IonicContact OE1-NZ 3.42Å; E345-K353 PolarHBondContact OE1-NZ 3.01Å |
| 346 | A | 45.3 | Very low | 64.4 | Low | 38 Ų | 38 | 20.9 Ų | 20.9 | 31% | 0.314 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -69.4 | -44.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E344 N349 | E344-A346 PolarHBondContact O-N 3.39Å; A346-N349 PolarHBondContact O-N 3.42Å |
| 347 | A | 48.5 | Very low | 64.4 | Low | 28 Ų | 28 | 21.8 Ų | 21.8 | 23% | 0.231 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.1 | -36.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N349 E350 T903 | A347-N349 VanDerWaalsContact C-N 3.25Å; A347-N349 PolarHBondContact O-N 2.76Å; A347-E350 PolarHBondContact O-N 3.22Å; A347-T903 HydrophobicContact CB-CG2 3.41Å; A347-T903 VanDerWaalsContact CB-CG2 3.41Å |
| 348 | M | 49.7 | Very low | 64.5 | Low | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.044 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.4 | -16.5 | 174.9 | -79.7 | -90.7 | 153.1 | 0 | 0 | 113.3 | E345 E350 C351 G352 K353 C448 E452 | E345-M348 CarbonylContact O-C 3.58Å; E345-M348 PolarHBondContact O-N 2.82Å; M348-E350 PolarHBondContact O-N 3.06Å; M348-C351 PolarHBondContact O-N 2.89Å; M348-G352 WeakPolarHBondContact O-CA 3.08Å; M348-G352 PolarHBondContact O-N 3.09Å; M348-K353 HydrophobicContact SD-CG 4.43Å; M348-C448 HydrophobicContact CE-CB 4.12Å; M348-E452 HydrophobicContact CE-CG 4.13Å; M348-E452 WeakPolarHBondContact CE-OE1 3.43Å |
| 349 | N | 50.3 | Low | 64.6 | Low | 49 Ų | 49 | 23.9 Ų | 23.9 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.6 | -26.6 | 177.2 | -82.6 | -15.6 | 0 | 0 | 0 | 112.7 | E345 A346 A347 K387 | E345-N349 WeakPolarHBondContact O-CB 3.31Å; E345-N349 PolarHBondContact O-N 2.83Å; E345-N349 PolarHBondContact O-OD1 3.08Å; E345-N349 VanDerWaalsContact O-OD1 3.12Å; A346-N349 PolarHBondContact O-N 3.42Å; A347-N349 VanDerWaalsContact C-N 3.25Å; A347-N349 PolarHBondContact O-N 2.76Å; N349-K387 WeakPolarHBondContact O-CB 3.5Å |
| 350 | E | 52.5 | Low | 65.2 | Low | 125 Ų | 125 | 27.6 Ų | 27.6 | 58% | 0.584 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -81.1 | -33.6 | 174.8 | -69.5 | -168 | 173.9 | 0 | 0 | 113.5 | A347 M348 K387 K444 | A347-E350 PolarHBondContact O-N 3.22Å; M348-E350 PolarHBondContact O-N 3.06Å; E350-K387 WeakPolarHBondContact O-CD 3.07Å; E350-K387 WeakPolarHBondContact O-CE 3.46Å; E350-K387 PolarHBondContact O-NZ 3.48Å; E350-K444 IonicContact OE2-NZ 3.48Å; E350-K444 PolarHBondContact OE2-NZ 3.19Å |
| 351 | C | 57.1 | Low | 66.5 | Low | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -90.2 | -37.3 | -177.6 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | M348 V385 K444 Q445 C448 | M348-C351 PolarHBondContact O-N 2.89Å; C351-V385 WeakPolarHBondContact O-CG1 3.35Å; C351-K444 VanDerWaalsContact SG-CD 3.51Å; C351-K444 WeakPolarHBondContact SG-CE 3.39Å; C351-K444 VanDerWaalsContact SG-CG 3.54Å; C351-Q445 PolarHBondContact O-NE2 3.34Å; C351-C448 HydrophobicContact CB-CB 4.33Å; C351-C448 WeakPolarHBondContact CB-SG 3.43Å; C351-C448 PolarHBondContact SG-SG 3.43Å |
| 352 | G | 66.1 | Low | 67.9 | Low | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | 84.2 | 166.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M348 V385 V386 | M348-G352 WeakPolarHBondContact O-CA 3.08Å; M348-G352 PolarHBondContact O-N 3.09Å; G352-V385 VanDerWaalsContact CA-CG1 3.48Å; G352-V385 WeakPolarHBondContact O-CG1 3.33Å; G352-V386 CarbonylContact C-O 3.6Å; G352-V386 WeakPolarHBondContact CA-O 3.45Å | ||
| 353 | K | 73.4 | Confident | 69.6 | Low | 11 Ų | 11 | 31.2 Ų | 31.2 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 145.5 | 178.1 | -70.1 | -175.5 | 177.4 | 178.9 | 0 | 111.9 | S191 L337 E345 M348 L355 V385 V386 | S191-K353 PolarHBondContact OG-NZ 3.11Å; L337-K353 HydrophobicContact CD1-CB 3.84Å; L337-K353 HydrophobicContact CD1-CD 4.46Å; E345-K353 IonicContact OE1-NZ 3.42Å; E345-K353 PolarHBondContact OE1-NZ 3.01Å; M348-K353 HydrophobicContact SD-CG 4.43Å; K353-L355 PolarHBondContact O-N 3.41Å; K353-V385 CarbonylContact O-C 3.08Å; K353-V385 WeakPolarHBondContact O-CA 3.43Å; K353-V386 PolarHBondContact N-O 2.75Å; K353-V386 PolarHBondContact O-N 2.76Å |
| 354 | P | 81.7 | Confident | 71.4 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 117.1 | 177.1 | 23.5 | -30.6 | 0 | 0 | 0 | 111.9 | L338 L383 I449 E452 | L338-P354 HydrophobicContact CB-CB 4.47Å; L338-P354 HydrophobicContact CB-CG 3.96Å; L338-P354 HydrophobicContact CD2-CG 4.22Å; L338-P354 HydrophobicContact CG-CG 4.39Å; L338-P354 PolarHBondContact N-O 3.09Å; P354-L383 HydrophobicContact CB-CD1 3.88Å; P354-I449 HydrophobicContact CB-CG1 4.36Å; P354-E452 HydrophobicContact CG-CB 4.27Å |
| 355 | L | 83.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127 | 173.2 | -178.8 | 64.1 | 0 | 0 | 0 | 109.4 | F194 V195 L337 K353 Y357 L383 T384 V386 | F194-L355 HydrophobicContact CE1-CD2 4.41Å; V195-L355 HydrophobicContact CG2-CD1 3.94Å; L337-L355 HydrophobicContact CB-CD1 4.29Å; K353-L355 PolarHBondContact O-N 3.41Å; L355-Y357 HydrophobicContact CD2-CE1 4.21Å; L355-Y357 HydrophobicContact CD2-CE2 3.65Å; L355-Y357 VanDerWaalsContact CD2-CZ 3.41Å; L355-Y357 WeakPolarHBondContact CD2-OH 3.49Å; L355-Y357 HydrophobicContact CG-CD2 4.47Å; L355-Y357 HydrophobicContact CG-CE2 3.91Å; L355-L383 WeakPolarHBondContact O-CA 3.5Å; L355-T384 PolarHBondContact N-O 2.75Å; L355-T384 PolarHBondContact O-N 3.16Å; L355-V386 HydrophobicContact CB-CG2 3.64Å; L355-V386 HydrophobicContact CD2-CG2 3.5Å; L355-V386 HydrophobicContact CG-CG2 4.2Å |
| 356 | V | 86.8 | Confident | 75 | Confident | 42 Ų | 42 | 30.3 Ų | 30.3 | 26% | 0.255 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.4 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | A336 C381 L382 L383 | A336-V356 HydrophobicContact CB-CB 4.25Å; A336-V356 PolarHBondContact N-O 3.33Å; A336-V356 PolarHBondContact O-N 3.23Å; V356-C381 HydrophobicContact CG1-CB 4.29Å; V356-L382 CarbonylContact C-O 3.56Å; V356-L382 WeakPolarHBondContact CA-O 3.24Å; V356-L383 HydrophobicContact CG2-CD1 3.54Å |
| 357 | Y | 86.3 | Confident | 77 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 11% | 0.114 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.7 | 168.1 | -62.7 | -88.2 | 0 | 0 | 0 | 109.6 | R335 L355 C381 L382 T384 | R335-Y357 HydrophobicContact CG-CD1 3.9Å; R335-Y357 HydrophobicContact CG-CE1 3.98Å; L355-Y357 HydrophobicContact CD2-CE1 4.21Å; L355-Y357 HydrophobicContact CD2-CE2 3.65Å; L355-Y357 VanDerWaalsContact CD2-CZ 3.41Å; L355-Y357 WeakPolarHBondContact CD2-OH 3.49Å; L355-Y357 HydrophobicContact CG-CD2 4.47Å; L355-Y357 HydrophobicContact CG-CE2 3.91Å; Y357-C381 WeakPolarHBondContact O-CA 3.34Å; Y357-L382 HydrophobicContact CD2-CD2 4.35Å; Y357-L382 PolarHBondContact N-O 3.23Å; Y357-L382 PolarHBondContact O-N 3.3Å; Y357-T384 HydrophobicContact CE2-CG2 4.43Å |
| 358 | L | 85.8 | Confident | 78.7 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134.9 | 177.6 | -178.6 | 90.7 | 0 | 0 | 0 | 109.3 | I334 K360 L361 L378 S379 C381 | I334-L358 WeakPolarHBondContact CA-O 3.26Å; I334-L358 HydrophobicContact CB-CB 4.15Å; I334-L358 HydrophobicContact CB-CD2 4.46Å; I334-L358 HydrophobicContact CD1-CD2 3.56Å; I334-L358 HydrophobicContact CG1-CD2 4.23Å; I334-L358 PolarHBondContact N-O 3.25Å; I334-L358 PolarHBondContact O-N 3.28Å; L358-K360 WeakPolarHBondContact CD2-O 3.47Å; L358-L361 HydrophobicContact CD2-CB 3.82Å; L358-L378 HydrophobicContact CD1-CB 3.79Å; L358-L378 HydrophobicContact CD1-CD1 4.43Å; L358-L378 HydrophobicContact CD2-CD2 4Å; L358-S379 WeakPolarHBondContact CD1-O 3.3Å; L358-S379 VanDerWaalsContact CD1-OG 3.27Å; L358-S379 WeakPolarHBondContact CD1-OG 3.36Å; L358-S379 WeakPolarHBondContact CG-OG 3.31Å; L358-C381 HydrophobicContact CD1-CB 4.4Å; L358-C381 WeakPolarHBondContact CD1-SG 3.32Å |
| 359 | D | 83.2 | Confident | 80 | Confident | 60 Ų | 60 | 37.2 Ų | 37.2 | 32% | 0.321 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -46.8 | 178.5 | -79.4 | -18.2 | 0 | 0 | 0 | 113.6 | T332 S333 S379 Y811 | T332-D359 CarbonylContact C-O 3.07Å; T332-D359 VanDerWaalsContact CA-O 3.23Å; T332-D359 WeakPolarHBondContact CA-O 3.4Å; S333-D359 PolarHBondContact N-O 3.38Å; D359-S379 PolarHBondContact N-OG 3.35Å; D359-Y811 VanDerWaalsContact CG-CE1 3.45Å; D359-Y811 WeakPolarHBondContact OD1-CD1 3.5Å; D359-Y811 VanDerWaalsContact OD1-CE1 3.26Å; D359-Y811 WeakPolarHBondContact OD1-CE1 3.38Å; D359-Y811 WeakPolarHBondContact OD2-CD1 3.42Å; D359-Y811 WeakPolarHBondContact OD2-CE1 3.38Å |
| 360 | K | 86.2 | Confident | 81.5 | Confident | 79 Ų | 79 | 35 Ų | 35 | 34% | 0.343 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 135.3 | -175.7 | -63.2 | -172.7 | 174.1 | 176.6 | 0 | 111.2 | L331 T332 L358 S379 W708 | L331-K360 CarbonylContact O-C 3.57Å; L331-K360 VanDerWaalsContact O-CA 3.27Å; L331-K360 WeakPolarHBondContact O-CA 3.41Å; T332-K360 HydrophobicContact CG2-CG 4.16Å; L358-K360 WeakPolarHBondContact CD2-O 3.47Å; K360-S379 PolarHBondContact N-OG 3.16Å; K360-S379 PolarHBondContact O-N 3.42Å; K360-S379 PolarHBondContact O-OG 3.12Å; K360-W708 HydrophobicContact CD-CD2 4.49Å; K360-W708 HydrophobicContact CD-CZ2 4.1Å |
| 361 | L | 90.3 | Very high | 83.2 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 20% | 0.204 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.2 | 163.3 | 179.1 | 156.7 | 0 | 0 | 0 | 107.4 | I330 L331 I334 L358 F363 V376 L378 | I330-L361 WeakPolarHBondContact CA-O 3.36Å; L331-L361 HydrophobicContact CB-CB 4.13Å; L331-L361 HydrophobicContact CD1-CB 4.34Å; L331-L361 HydrophobicContact CD1-CD1 4.19Å; L331-L361 HydrophobicContact CD1-CD2 3.99Å; L331-L361 HydrophobicContact CD1-CG 4.41Å; L331-L361 HydrophobicContact CG-CB 4.41Å; L331-L361 HydrophobicContact CG-CD2 4.12Å; L331-L361 PolarHBondContact N-O 2.98Å; L331-L361 PolarHBondContact O-N 3.21Å; I334-L361 HydrophobicContact CD1-CB 3.68Å; L358-L361 HydrophobicContact CD2-CB 3.82Å; L361-F363 HydrophobicContact CD2-CB 4.26Å; L361-V376 HydrophobicContact CD2-CG1 4.49Å; L361-V376 HydrophobicContact CG-CG1 4.26Å; L361-L378 HydrophobicContact CB-CD2 3.77Å; L361-L378 HydrophobicContact CD1-CD2 3.45Å; L361-L378 VanDerWaalsContact CD1-CD2 3.45Å; L361-L378 HydrophobicContact CG-CD2 3.42Å; L361-L378 VanDerWaalsContact CG-CD2 3.42Å |
| 362 | Y | 89.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.6 | 174.1 | -175.2 | -101.6 | 0 | 0 | 0 | 108.8 | E328 V329 I330 Q364 V376 T377 T703 I704 W708 | E328-Y362 PolarHBondContact OE2-OH 2.87Å; V329-Y362 CarbonylContact O-C 3.47Å; V329-Y362 WeakPolarHBondContact O-CA 3.38Å; I330-Y362 HydrophobicContact CD1-CD2 4.07Å; I330-Y362 HydrophobicContact CD1-CE2 4Å; I330-Y362 HydrophobicContact CG1-CD2 3.8Å; I330-Y362 HydrophobicContact CG1-CE2 3.99Å; Y362-Q364 HydrophobicContact CE1-CB 3.87Å; Y362-V376 CarbonylContact O-C 3.4Å; Y362-V376 WeakPolarHBondContact O-CA 3.2Å; Y362-T377 PolarHBondContact N-O 3.36Å; Y362-T377 PolarHBondContact O-N 2.78Å; Y362-T703 PolarHBondContact OH-OG1 3.34Å; Y362-I704 HydrophobicContact CD1-CD1 4.48Å; Y362-I704 HydrophobicContact CD1-CG1 4.18Å; Y362-I704 HydrophobicContact CE1-CG1 4.17Å; Y362-W708 AromaticContact CD2-CH2 3.98Å; Y362-W708 HydrophobicContact CD2-CH2 3.98Å; Y362-W708 HydrophobicContact CD2-CZ3 4.3Å; Y362-W708 HydrophobicContact CG-CH2 4.19Å; Y362-W708 HydrophobicContact CG-CZ3 4.03Å |
| 363 | F | 90.9 | Very high | 85.7 | Confident | 51 Ų | 51 | 31.6 Ų | 31.6 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.4 | 172.8 | 163.2 | -91.1 | 0 | 0 | 0 | 109.1 | V327 E328 V329 L361 M365 F374 Q375 V376 | V327-F363 HydrophobicContact CG1-CD1 4.34Å; V327-F363 HydrophobicContact CG1-CE1 3.92Å; E328-F363 CarbonylContact C-O 3.44Å; E328-F363 WeakPolarHBondContact CA-O 3.47Å; V329-F363 HydrophobicContact CB-CB 4.13Å; V329-F363 HydrophobicContact CB-CD1 3.99Å; V329-F363 HydrophobicContact CG2-CD1 3.68Å; V329-F363 HydrophobicContact CG2-CE1 4.34Å; V329-F363 PolarHBondContact N-O 3.09Å; V329-F363 PolarHBondContact O-N 3.13Å; L361-F363 HydrophobicContact CD2-CB 4.26Å; F363-M365 HydrophobicContact CE1-CB 3.86Å; F363-M365 HydrophobicContact CE2-CB 4.5Å; F363-M365 HydrophobicContact CZ-CB 3.67Å; F363-M365 HydrophobicContact CZ-SD 4.5Å; F363-F374 HydrophobicContact CE2-CD1 4.39Å; F363-F374 HydrophobicContact CZ-CD1 4.35Å; F363-Q375 CarbonylContact C-O 3.59Å; F363-Q375 VanDerWaalsContact CA-O 3.3Å; F363-Q375 WeakPolarHBondContact CA-O 3.07Å; F363-V376 HydrophobicContact CD2-CG2 3.7Å; F363-V376 HydrophobicContact CE2-CG2 4.5Å |
| 364 | Q | 90.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.2 | 176 | -173.4 | 179 | 4.1 | 0 | 0 | 108.5 | V327 E328 Y362 E366 F374 Q375 F700 | V327-Q364 CarbonylContact O-C 3.49Å; V327-Q364 WeakPolarHBondContact O-CA 3.42Å; E328-Q364 HydrophobicContact CG-CG 4.46Å; Y362-Q364 HydrophobicContact CE1-CB 3.87Å; Q364-E366 PolarHBondContact NE2-OE1 2.74Å; Q364-F374 CarbonylContact O-C 3.56Å; Q364-F374 WeakPolarHBondContact O-CA 3.38Å; Q364-Q375 PolarHBondContact N-O 3Å; Q364-Q375 PolarHBondContact O-N 2.98Å; Q364-F700 HydrophobicContact CB-CE2 4.31Å; Q364-F700 HydrophobicContact CG-CD2 4.13Å; Q364-F700 HydrophobicContact CG-CE2 3.75Å; Q364-F700 HydrophobicContact CG-CZ 4.48Å |
| 365 | M | 89.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 18% | 0.177 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.4 | 174 | 169.3 | -173.3 | 177.3 | 0 | 0 | 109.2 | H326 V327 F363 K367 S373 F374 | H326-M365 CarbonylContact C-O 3.58Å; H326-M365 WeakPolarHBondContact CA-O 3.29Å; V327-M365 HydrophobicContact CB-CB 4.26Å; V327-M365 PolarHBondContact N-O 3.04Å; V327-M365 PolarHBondContact O-N 3.18Å; F363-M365 HydrophobicContact CE1-CB 3.86Å; F363-M365 HydrophobicContact CE2-CB 4.5Å; F363-M365 HydrophobicContact CZ-CB 3.67Å; F363-M365 HydrophobicContact CZ-SD 4.5Å; M365-K367 HydrophobicContact CE-CB 4.01Å; M365-K367 HydrophobicContact CE-CD 4.37Å; M365-S373 WeakPolarHBondContact CA-O 3.48Å; M365-F374 HydrophobicContact CB-CD1 4Å; M365-F374 HydrophobicContact CB-CE1 4.48Å; M365-F374 HydrophobicContact CE-CE1 3.61Å; M365-F374 HydrophobicContact CE-CZ 4.08Å; M365-F374 HydrophobicContact CG-CD1 3.66Å; M365-F374 HydrophobicContact CG-CE1 3.68Å; M365-F374 HydrophobicContact SD-CD1 3.96Å; M365-F374 HydrophobicContact SD-CE1 3.5Å; M365-F374 VanDerWaalsContact SD-CE1 3.5Å |
| 366 | E | 88 | Confident | 86.9 | Confident | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.8 | 170.2 | -68.1 | -173.4 | 177.3 | 0 | 0 | 109.3 | V325 H326 Q364 Y368 A372 S373 F700 | V325-E366 CarbonylContact O-C 3.57Å; V325-E366 VanDerWaalsContact O-CA 3.3Å; V325-E366 WeakPolarHBondContact O-CA 3.35Å; H326-E366 IonicContact ND1-OE1 3.68Å; Q364-E366 PolarHBondContact NE2-OE1 2.74Å; E366-Y368 HydrophobicContact CB-CD2 4.4Å; E366-Y368 HydrophobicContact CB-CE2 3.62Å; E366-Y368 HydrophobicContact CG-CE2 4.44Å; E366-Y368 WeakPolarHBondContact OE2-CE2 3.48Å; E366-Y368 PolarHBondContact OE2-OH 3.11Å; E366-A372 CarbonylContact O-C 3.54Å; E366-A372 WeakPolarHBondContact O-CA 3.48Å; E366-S373 PolarHBondContact N-O 3.22Å; E366-S373 PolarHBondContact O-N 3Å; E366-F700 HydrophobicContact CB-CD2 4.15Å; E366-F700 HydrophobicContact CB-CE2 4.27Å; E366-F700 VanDerWaalsContact CD-CD2 3.44Å; E366-F700 HydrophobicContact CG-CD2 3.67Å; E366-F700 HydrophobicContact CG-CE2 4Å |
| 367 | K | 88.1 | Confident | 86.9 | Confident | 81 Ų | 81 | 33.1 Ų | 33.1 | 35% | 0.352 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125 | 174.2 | -179.8 | 178.7 | 177.8 | 178.9 | 0 | 108.4 | D324 V325 M365 A372 | D324-K367 CarbonylContact C-O 3.42Å; D324-K367 WeakPolarHBondContact CA-O 3.23Å; V325-K367 HydrophobicContact CB-CB 4.18Å; V325-K367 PolarHBondContact N-O 2.64Å; V325-K367 PolarHBondContact O-N 3Å; M365-K367 HydrophobicContact CE-CB 4.01Å; M365-K367 HydrophobicContact CE-CD 4.37Å; K367-A372 HydrophobicContact CB-CB 4.25Å; K367-A372 HydrophobicContact CG-CB 4.16Å |
| 368 | Y | 83.2 | Confident | 86.9 | Confident | 87 Ų | 87 | 33 Ų | 33 | 34% | 0.341 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 174.6 | 175.8 | -54.8 | -76.6 | 0 | 0 | 0 | 110.2 | D324 H326 E366 G370 K371 | D324-Y368 WeakPolarHBondContact OD1-CA 3.34Å; H326-Y368 AromaticContact CE1-CE1 3.63Å; H326-Y368 AromaticContact CE1-CZ 3.68Å; H326-Y368 PolarHBondContact CE1-OH 2.91Å; H326-Y368 AromaticContact NE2-CE1 3.91Å; E366-Y368 HydrophobicContact CB-CD2 4.4Å; E366-Y368 HydrophobicContact CB-CE2 3.62Å; E366-Y368 HydrophobicContact CG-CE2 4.44Å; E366-Y368 WeakPolarHBondContact OE2-CE2 3.48Å; E366-Y368 PolarHBondContact OE2-OH 3.11Å; Y368-G370 PolarHBondContact O-N 3.04Å; Y368-K371 PolarHBondContact N-O 3.39Å; Y368-K371 PolarHBondContact O-N 2.85Å; Y368-K371 VanDerWaalsContact O-N 3.09Å |
| 369 | L | 77.9 | Confident | 86.8 | Confident | 52 Ų | 52 | 33 Ų | 33 | 27% | 0.272 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 108 | 174.3 | -79.8 | 95.8 | 0 | 0 | 0 | 112.6 | F251 P255 P322 K371 | F251-L369 VanDerWaalsContact CA-CD2 3.42Å; F251-L369 HydrophobicContact CB-CD2 3.62Å; F251-L369 HydrophobicContact CD1-CB 4.38Å; F251-L369 HydrophobicContact CD1-CD2 3.87Å; F251-L369 HydrophobicContact CD1-CG 4.11Å; F251-L369 HydrophobicContact CG-CB 4.44Å; F251-L369 HydrophobicContact CG-CD2 3.92Å; F251-L369 HydrophobicContact CG-CG 4.45Å; F251-L369 WeakPolarHBondContact O-CD2 3.26Å; P255-L369 HydrophobicContact CB-CD1 3.63Å; P255-L369 HydrophobicContact CG-CD1 3.41Å; P255-L369 VanDerWaalsContact CG-CD1 3.41Å; P322-L369 HydrophobicContact CB-CG 4.2Å; P322-L369 HydrophobicContact CG-CD1 4.32Å; P322-L369 HydrophobicContact CG-CD2 4.03Å; P322-L369 HydrophobicContact CG-CG 4.11Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 2.89Å |
| 370 | G | 82.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 0.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y368 Y411 F412 R633 | Y368-G370 PolarHBondContact O-N 3.04Å; G370-Y411 WeakPolarHBondContact O-CA 3.3Å; G370-F412 PolarHBondContact O-N 3.49Å; G370-R633 PolarHBondContact O-NH1 3.26Å |
| 371 | K | 87.5 | Confident | 86.8 | Confident | 47 Ų | 47 | 28.2 Ų | 28.2 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 136 | -179.1 | -177.1 | 177.3 | 176.4 | -174.8 | 0 | 111.5 | Y368 L369 S373 E409 D410 Y411 | Y368-K371 PolarHBondContact N-O 3.39Å; Y368-K371 PolarHBondContact O-N 2.85Å; Y368-K371 VanDerWaalsContact O-N 3.09Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 2.89Å; K371-S373 WeakPolarHBondContact CE-OG 3.45Å; K371-E409 VanDerWaalsContact CE-CD 3.44Å; K371-E409 WeakPolarHBondContact CE-OE1 3.37Å; K371-E409 IonicContact NZ-OE1 2.74Å; K371-E409 PolarHBondContact NZ-OE1 2.8Å; K371-E409 IonicContact NZ-OE2 3.64Å; K371-D410 CarbonylContact C-O 3.53Å; K371-D410 VanDerWaalsContact CA-O 3.32Å; K371-D410 WeakPolarHBondContact CA-O 3.41Å; K371-Y411 HydrophobicContact CB-CD1 4.44Å; K371-Y411 HydrophobicContact CD-CE1 4.11Å; K371-Y411 HydrophobicContact CG-CD1 4.05Å; K371-Y411 HydrophobicContact CG-CE1 3.98Å |
| 372 | A | 88.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E366 K367 F374 E409 D410 F412 | E366-A372 CarbonylContact O-C 3.54Å; E366-A372 WeakPolarHBondContact O-CA 3.48Å; K367-A372 HydrophobicContact CB-CB 4.25Å; K367-A372 HydrophobicContact CG-CB 4.16Å; A372-F374 HydrophobicContact CB-CE2 3.73Å; A372-F374 HydrophobicContact CB-CZ 3.81Å; A372-E409 CarbonylContact O-C 3.41Å; A372-E409 VanDerWaalsContact O-CA 3.25Å; A372-E409 WeakPolarHBondContact O-CA 3.3Å; A372-D410 HydrophobicContact CB-CB 4.29Å; A372-D410 PolarHBondContact N-O 2.77Å; A372-D410 PolarHBondContact O-N 2.81Å; A372-F412 HydrophobicContact CB-CE2 3.87Å |
| 373 | S | 87.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.6 | 178 | -73.9 | 0 | 0 | 0 | 0 | 109.3 | M365 E366 K371 A408 E409 Y658 | M365-S373 WeakPolarHBondContact CA-O 3.48Å; E366-S373 PolarHBondContact N-O 3.22Å; E366-S373 PolarHBondContact O-N 3Å; K371-S373 WeakPolarHBondContact CE-OG 3.45Å; S373-A408 WeakPolarHBondContact CA-O 3.15Å; S373-E409 PolarHBondContact OG-OE1 2.75Å; S373-Y658 WeakPolarHBondContact CB-OH 3.23Å |
| 374 | F | 87.2 | Confident | 85.8 | Confident | 51 Ų | 51 | 26.4 Ų | 26.4 | 22% | 0.224 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141 | -179.7 | -48 | -98.1 | 0 | 0 | 0 | 110.2 | F363 Q364 M365 A372 R407 A408 D410 Y658 | F363-F374 HydrophobicContact CE2-CD1 4.39Å; F363-F374 HydrophobicContact CZ-CD1 4.35Å; Q364-F374 CarbonylContact O-C 3.56Å; Q364-F374 WeakPolarHBondContact O-CA 3.38Å; M365-F374 HydrophobicContact CB-CD1 4Å; M365-F374 HydrophobicContact CB-CE1 4.48Å; M365-F374 HydrophobicContact CE-CE1 3.61Å; M365-F374 HydrophobicContact CE-CZ 4.08Å; M365-F374 HydrophobicContact CG-CD1 3.66Å; M365-F374 HydrophobicContact CG-CE1 3.68Å; M365-F374 HydrophobicContact SD-CD1 3.96Å; M365-F374 HydrophobicContact SD-CE1 3.5Å; M365-F374 VanDerWaalsContact SD-CE1 3.5Å; A372-F374 HydrophobicContact CB-CE2 3.73Å; A372-F374 HydrophobicContact CB-CZ 3.81Å; F374-R407 CarbonylContact O-C 3.54Å; F374-R407 WeakPolarHBondContact O-CA 3.22Å; F374-A408 HydrophobicContact CB-CB 4.27Å; F374-A408 HydrophobicContact CD2-CB 4.06Å; F374-A408 PolarHBondContact N-O 2.78Å; F374-A408 PolarHBondContact O-N 3.03Å; F374-D410 HydrophobicContact CE2-CB 4.4Å; F374-Y658 PolarHBondContact N-OH 2.78Å; F374-Y658 VanDerWaalsContact N-OH 3.16Å; F374-Y658 PolarHBondContact O-OH 2.95Å |
| 375 | Q | 86.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 132.4 | 173.4 | -179.2 | 175.7 | -17.9 | 0 | 0 | 110.4 | F363 Q364 T377 Q405 M406 F700 | F363-Q375 CarbonylContact C-O 3.59Å; F363-Q375 VanDerWaalsContact CA-O 3.3Å; F363-Q375 WeakPolarHBondContact CA-O 3.07Å; Q364-Q375 PolarHBondContact N-O 3Å; Q364-Q375 PolarHBondContact O-N 2.98Å; Q375-T377 PolarHBondContact NE2-OG1 2.91Å; Q375-Q405 HydrophobicContact CG-CG 4.48Å; Q375-M406 CarbonylContact C-O 3.57Å; Q375-M406 VanDerWaalsContact CA-O 3.28Å; Q375-M406 WeakPolarHBondContact CA-O 3.13Å; Q375-F700 HydrophobicContact CB-CE1 3.68Å; Q375-F700 HydrophobicContact CB-CZ 3.53Å; Q375-F700 VanDerWaalsContact OE1-CE1 3.31Å |
| 376 | V | 88.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 26.2 Ų | 26.2 | 17% | 0.17 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.5 | 167.4 | -177 | 0 | 0 | 0 | 0 | 107.4 | L361 Y362 F363 L378 Q405 M406 | L361-V376 HydrophobicContact CD2-CG1 4.49Å; L361-V376 HydrophobicContact CG-CG1 4.26Å; Y362-V376 CarbonylContact O-C 3.4Å; Y362-V376 WeakPolarHBondContact O-CA 3.2Å; F363-V376 HydrophobicContact CD2-CG2 3.7Å; F363-V376 HydrophobicContact CE2-CG2 4.5Å; V376-L378 HydrophobicContact CG1-CD2 4.02Å; V376-Q405 CarbonylContact O-C 3.54Å; V376-Q405 VanDerWaalsContact O-CA 3.24Å; V376-Q405 WeakPolarHBondContact O-CA 3.4Å; V376-M406 HydrophobicContact CB-CB 4.07Å; V376-M406 HydrophobicContact CG2-CB 4.46Å; V376-M406 HydrophobicContact CG2-CE 3.69Å; V376-M406 PolarHBondContact N-O 2.96Å; V376-M406 PolarHBondContact O-N 3.43Å |
| 377 | T | 86.4 | Confident | 82.9 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.9 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 108.8 | Y362 Q375 I704 F709 | Y362-T377 PolarHBondContact N-O 3.36Å; Y362-T377 PolarHBondContact O-N 2.78Å; Q375-T377 PolarHBondContact NE2-OG1 2.91Å; T377-I704 HydrophobicContact CG2-CD1 4.45Å; T377-F709 HydrophobicContact CG2-CE2 4.08Å; T377-F709 HydrophobicContact CG2-CZ 3.46Å; T377-F709 VanDerWaalsContact CG2-CZ 3.46Å |
| 378 | L | 86.8 | Confident | 81.1 | Confident | 25 Ų | 25 | 26.7 Ų | 26.7 | 13% | 0.131 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.1 | 176.3 | -55.4 | -165.7 | 0 | 0 | 0 | 110.2 | L358 L361 V376 L404 | L358-L378 HydrophobicContact CD1-CB 3.79Å; L358-L378 HydrophobicContact CD1-CD1 4.43Å; L358-L378 HydrophobicContact CD2-CD2 4Å; L361-L378 HydrophobicContact CB-CD2 3.77Å; L361-L378 HydrophobicContact CD1-CD2 3.45Å; L361-L378 VanDerWaalsContact CD1-CD2 3.45Å; L361-L378 HydrophobicContact CG-CD2 3.42Å; L361-L378 VanDerWaalsContact CG-CD2 3.42Å; V376-L378 HydrophobicContact CG1-CD2 4.02Å; L378-L404 HydrophobicContact CB-CB 3.96Å; L378-L404 HydrophobicContact CD1-CB 3.88Å; L378-L404 HydrophobicContact CD1-CD2 3.37Å; L378-L404 HydrophobicContact CD1-CG 4.15Å; L378-L404 HydrophobicContact CG-CB 3.94Å; L378-L404 HydrophobicContact CG-CD2 3.91Å; L378-L404 HydrophobicContact CG-CG 4.29Å; L378-L404 PolarHBondContact N-O 3.05Å |
| 379 | S | 83.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 168.6 | 165 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | L358 D359 K360 C381 | L358-S379 WeakPolarHBondContact CD1-O 3.3Å; L358-S379 VanDerWaalsContact CD1-OG 3.27Å; L358-S379 WeakPolarHBondContact CD1-OG 3.36Å; L358-S379 WeakPolarHBondContact CG-OG 3.31Å; D359-S379 PolarHBondContact N-OG 3.35Å; K360-S379 PolarHBondContact N-OG 3.16Å; K360-S379 PolarHBondContact O-N 3.42Å; K360-S379 PolarHBondContact O-OG 3.12Å; S379-C381 PolarHBondContact O-N 3.27Å; S379-C381 VanDerWaalsContact O-N 3.16Å |
| 380 | P | 83.2 | Confident | 77.9 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -51.3 | 124.1 | 174.2 | -22.3 | 27.7 | 0 | 0 | 0 | 112.7 | L401 S402 | P380-L401 CarbonylContact C-O 3.54Å; P380-L401 VanDerWaalsContact CA-O 3.22Å; P380-L401 WeakPolarHBondContact CA-O 3.29Å; P380-S402 WeakPolarHBondContact CA-O 3.35Å; P380-S402 WeakPolarHBondContact CB-O 3.15Å; P380-S402 VanDerWaalsContact CG-O 3.22Å; P380-S402 WeakPolarHBondContact CG-O 3.06Å |
| 381 | C | 85.5 | Confident | 76.2 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 10% | 0.101 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 144.8 | 179.3 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | V356 Y357 L358 S379 T400 L401 R821 | V356-C381 HydrophobicContact CG1-CB 4.29Å; Y357-C381 WeakPolarHBondContact O-CA 3.34Å; L358-C381 HydrophobicContact CD1-CB 4.4Å; L358-C381 WeakPolarHBondContact CD1-SG 3.32Å; S379-C381 PolarHBondContact O-N 3.27Å; S379-C381 VanDerWaalsContact O-N 3.16Å; C381-T400 WeakPolarHBondContact O-CA 3.34Å; C381-L401 HydrophobicContact CB-CB 4.16Å; C381-L401 PolarHBondContact N-O 3.38Å; C381-L401 PolarHBondContact O-N 3.37Å; C381-R821 PolarHBondContact O-NH2 3.44Å |
| 382 | L | 86.4 | Confident | 73.9 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.3 | 168.3 | 173.6 | 69.7 | 0 | 0 | 0 | 108.6 | V356 Y357 T384 E398 T400 | V356-L382 CarbonylContact C-O 3.56Å; V356-L382 WeakPolarHBondContact CA-O 3.24Å; Y357-L382 HydrophobicContact CD2-CD2 4.35Å; Y357-L382 PolarHBondContact N-O 3.23Å; Y357-L382 PolarHBondContact O-N 3.3Å; L382-T384 HydrophobicContact CD1-CG2 4.19Å; L382-T384 HydrophobicContact CD2-CG2 4.02Å; L382-T384 HydrophobicContact CG-CG2 3.83Å; L382-E398 HydrophobicContact CD1-CB 3.96Å; L382-E398 HydrophobicContact CD1-CG 4.27Å; L382-T400 HydrophobicContact CD1-CG2 3.68Å |
| 383 | L | 86 | Confident | 71.7 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.5 | 172.3 | 179.4 | 73.3 | 0 | 0 | 0 | 108.8 | P354 L355 V356 L399 I449 | P354-L383 HydrophobicContact CB-CD1 3.88Å; L355-L383 WeakPolarHBondContact O-CA 3.5Å; V356-L383 HydrophobicContact CG2-CD1 3.54Å; L383-L399 HydrophobicContact CB-CB 4.03Å; L383-L399 HydrophobicContact CD2-CB 4.16Å; L383-L399 HydrophobicContact CD2-CD1 4.08Å; L383-L399 PolarHBondContact N-O 3.26Å; L383-L399 PolarHBondContact O-N 3.09Å; L383-I449 HydrophobicContact CD2-CD1 4Å; L383-I449 HydrophobicContact CD2-CG2 4.32Å |
| 384 | T | 79 | Confident | 69.5 | Low | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 169.8 | 171.8 | 69.7 | 0 | 0 | 0 | 0 | 110.2 | L355 Y357 L382 E398 | L355-T384 PolarHBondContact N-O 2.75Å; L355-T384 PolarHBondContact O-N 3.16Å; Y357-T384 HydrophobicContact CE2-CG2 4.43Å; L382-T384 HydrophobicContact CD1-CG2 4.19Å; L382-T384 HydrophobicContact CD2-CG2 4.02Å; L382-T384 HydrophobicContact CG-CG2 3.83Å; T384-E398 HydrophobicContact CG2-CG 4.18Å |
| 385 | V | 76.2 | Confident | 67.7 | Low | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.9 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | C351 G352 K353 Q445 I449 | C351-V385 WeakPolarHBondContact O-CG1 3.35Å; G352-V385 VanDerWaalsContact CA-CG1 3.48Å; G352-V385 WeakPolarHBondContact O-CG1 3.33Å; K353-V385 CarbonylContact O-C 3.08Å; K353-V385 WeakPolarHBondContact O-CA 3.43Å; V385-Q445 HydrophobicContact CG1-CG 4.35Å; V385-Q445 HydrophobicContact CG2-CB 4.43Å; V385-I449 HydrophobicContact CG2-CD1 4.02Å; V385-I449 HydrophobicContact CG2-CG1 4.41Å |
| 386 | V | 67 | Low | 66.1 | Low | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.1 | -173.7 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | F194 G352 K353 L355 | F194-V386 HydrophobicContact CD1-CG1 4.18Å; F194-V386 HydrophobicContact CE1-CG1 4.32Å; G352-V386 CarbonylContact C-O 3.6Å; G352-V386 WeakPolarHBondContact CA-O 3.45Å; K353-V386 PolarHBondContact N-O 2.75Å; K353-V386 PolarHBondContact O-N 2.76Å; L355-V386 HydrophobicContact CB-CG2 3.64Å; L355-V386 HydrophobicContact CD2-CG2 3.5Å; L355-V386 HydrophobicContact CG-CG2 4.2Å |
| 387 | K | 62.9 | Low | 64.9 | Low | 82 Ų | 82 | 43.1 Ų | 43.1 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -99.2 | 155.8 | 174.2 | -61.8 | -170.7 | -170.7 | -168.4 | 0 | 111.6 | N349 E350 N389 G390 | N349-K387 WeakPolarHBondContact O-CB 3.5Å; E350-K387 WeakPolarHBondContact O-CD 3.07Å; E350-K387 WeakPolarHBondContact O-CE 3.46Å; E350-K387 PolarHBondContact O-NZ 3.48Å; K387-N389 PolarHBondContact O-N 2.94Å; K387-G390 PolarHBondContact O-N 3.1Å |
| 388 | G | 50.2 | Low | 64.5 | Low | 21 Ų | 21 | 44.4 Ų | 44.4 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | G390 | G388-G390 VanDerWaalsContact C-N 3.29Å; G388-G390 PolarHBondContact O-N 2.88Å |
| 389 | N | 46.4 | Very low | 64.4 | Low | 148 Ų | 148 | 44.2 Ų | 44.2 | 79% | 0.791 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 26.3 | -179.9 | -69.2 | -4.1 | 0 | 0 | 0 | 114 | K387 | K387-N389 PolarHBondContact O-N 2.94Š|
| 390 | G | 47.9 | Very low | 64.5 | Low | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | 88.4 | -178.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | K387 G388 L392 | K387-G390 PolarHBondContact O-N 3.1Å; G388-G390 VanDerWaalsContact C-N 3.29Å; G388-G390 PolarHBondContact O-N 2.88Å; G390-L392 PolarHBondContact O-N 2.83Å |
| 391 | V | 45.2 | Very low | 64.7 | Low | 72 Ų | 72 | 44.4 Ų | 44.4 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | trans | -73.2 | 75.5 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | F194 A393 | F194-V391 HydrophobicContact CE1-CG2 4.03Å; F194-V391 HydrophobicContact CE2-CG2 4.27Å; F194-V391 HydrophobicContact CZ-CG2 3.48Å; F194-V391 VanDerWaalsContact CZ-CG2 3.48Å; V391-A393 PolarHBondContact O-N 3.45Å | ||
| 392 | L | 39.6 | Very low | 64.4 | Low | 144 Ų | 144 | 45.1 Ų | 45.1 | 75% | 0.754 | 28% | 0.276 | S | S | * | . | trans | -69.5 | 110.2 | 155 | -90.8 | 158.8 | 0 | 0 | 0 | 105.9 | G390 C394 | G390-L392 PolarHBondContact O-N 2.83Å; L392-C394 PolarHBondContact O-N 3.38Å | ||
| 393 | A | 41.8 | Very low | 64.1 | Low | 76 Ų | 76 | 45 Ų | 45 | 63% | 0.628 | 28% | 0.275 | S | S | * | . | trans | -54.9 | 85.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V391 S395 | V391-A393 PolarHBondContact O-N 3.45Å; A393-S395 PolarHBondContact O-N 3.15Å | ||
| 394 | C | 41.8 | Very low | 64.1 | Low | 76 Ų | 76 | 45.1 Ų | 45.1 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | trans | -67.1 | 82 | 133.6 | -87.6 | 0 | 0 | 0 | 0 | 104.4 | L392 S396 A397 | L392-C394 PolarHBondContact O-N 3.38Å; C394-S396 PolarHBondContact O-N 2.86Å; C394-A397 PolarHBondContact O-N 3.41Å | ||
| 395 | S | 49.1 | Very low | 64.4 | Low | 51 Ų | 51 | 44.8 Ų | 44.8 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 10.9 | 177.4 | 40.3 | 0 | 0 | 0 | 0 | 113.9 | A393 F734 S822 | A393-S395 PolarHBondContact O-N 3.15Å; S395-F734 WeakPolarHBondContact OG-CE2 3.48Å; S395-S822 PolarHBondContact O-OG 3.31Å |
| 396 | S | 53.5 | Low | 65 | Low | 32 Ų | 32 | 46 Ų | 46 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -7.3 | -162.6 | 82.5 | 0 | 0 | 0 | 0 | 113 | C394 G440 F734 K824 | C394-S396 PolarHBondContact O-N 2.86Å; S396-G440 VanDerWaalsContact O-O 3.1Å; S396-F734 VanDerWaalsContact CB-CZ 3.4Å; S396-K824 PolarHBondContact O-NZ 2.97Å |
| 397 | A | 64.2 | Low | 65.9 | Low | 7 Ų | 7 | 46.5 Ų | 46.5 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | trans | -120.9 | 70.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C394 G440 L441 | C394-A397 PolarHBondContact O-N 3.41Å; A397-G440 WeakPolarHBondContact CA-O 3.45Å; A397-L441 VanDerWaalsContact C-CD2 3.5Å; A397-L441 HydrophobicContact CB-CD2 3.61Å | ||
| 398 | E | 77.7 | Confident | 67.1 | Low | 30 Ų | 30 | 42.9 Ų | 42.9 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134 | -179.3 | -61.8 | -170.6 | 171 | 0 | 0 | 110.1 | L382 T384 G439 G440 | L382-E398 HydrophobicContact CD1-CB 3.96Å; L382-E398 HydrophobicContact CD1-CG 4.27Å; T384-E398 HydrophobicContact CG2-CG 4.18Å; E398-G439 WeakPolarHBondContact O-CA 3.34Å; E398-G440 PolarHBondContact O-N 3.12Å |
| 399 | L | 85 | Confident | 68.9 | Low | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.2 | 167.2 | -97.3 | 169 | 0 | 0 | 0 | 108.1 | L383 L437 L441 I513 | L383-L399 HydrophobicContact CB-CB 4.03Å; L383-L399 HydrophobicContact CD2-CB 4.16Å; L383-L399 HydrophobicContact CD2-CD1 4.08Å; L383-L399 PolarHBondContact N-O 3.26Å; L383-L399 PolarHBondContact O-N 3.09Å; L399-L437 HydrophobicContact CD2-CD1 3.9Å; L399-L437 HydrophobicContact CD2-CG 4.17Å; L399-L441 HydrophobicContact CD1-CD1 3.31Å; L399-L441 HydrophobicContact CD1-CG 4.21Å; L399-L441 HydrophobicContact CG-CD1 3.88Å; L399-L441 HydrophobicContact CG-CG 4.26Å; L399-I513 HydrophobicContact CD2-CD1 4.48Å; L399-I513 HydrophobicContact CD2-CG1 4.21Å |
| 400 | T | 86.5 | Confident | 70.8 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.2 | 179.5 | 58 | 0 | 0 | 0 | 0 | 109.7 | C381 L382 L437 R438 | C381-T400 WeakPolarHBondContact O-CA 3.34Å; L382-T400 HydrophobicContact CD1-CG2 3.68Å; T400-L437 CarbonylContact O-C 3.53Å; T400-L437 WeakPolarHBondContact O-CA 3.37Å; T400-R438 PolarHBondContact N-O 2.78Å; T400-R438 PolarHBondContact O-N 3.23Å; T400-R438 PolarHBondContact OG1-O 3.08Å |
| 401 | L | 86.3 | Confident | 72.8 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.3 | 169.4 | -179.8 | 67.5 | 0 | 0 | 0 | 107.4 | P380 C381 G403 L404 L434 E436 L437 | P380-L401 CarbonylContact C-O 3.54Å; P380-L401 VanDerWaalsContact CA-O 3.22Å; P380-L401 WeakPolarHBondContact CA-O 3.29Å; C381-L401 HydrophobicContact CB-CB 4.16Å; C381-L401 PolarHBondContact N-O 3.38Å; C381-L401 PolarHBondContact O-N 3.37Å; L401-G403 WeakPolarHBondContact CG-O 2.99Å; L401-G403 PolarHBondContact O-N 2.76Å; L401-L404 HydrophobicContact CD2-CB 4.1Å; L401-L404 HydrophobicContact CD2-CD1 4.3Å; L401-L434 HydrophobicContact CD1-CB 4.39Å; L401-L434 HydrophobicContact CD2-CD2 4.46Å; L401-E436 WeakPolarHBondContact CA-O 3.41Å; L401-L437 HydrophobicContact CB-CD1 4.49Å; L401-L437 HydrophobicContact CD1-CB 4.28Å; L401-L437 HydrophobicContact CD1-CD1 4.45Å |
| 402 | S | 80.6 | Confident | 74.7 | Confident | 29 Ų | 29 | 31.9 Ų | 31.9 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -64.9 | -26 | -176.2 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | P380 G435 E436 | P380-S402 WeakPolarHBondContact CA-O 3.35Å; P380-S402 WeakPolarHBondContact CB-O 3.15Å; P380-S402 VanDerWaalsContact CG-O 3.22Å; P380-S402 WeakPolarHBondContact CG-O 3.06Å; S402-G435 WeakPolarHBondContact OG-CA 3.29Å; S402-E436 PolarHBondContact N-O 3.17Å; S402-E436 PolarHBondContact OG-N 3.12Å; S402-E436 PolarHBondContact OG-O 2.89Å |
| 403 | G | 79.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 175.9 | 163.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L401 G435 W680 | L401-G403 WeakPolarHBondContact CG-O 2.99Å; L401-G403 PolarHBondContact O-N 2.76Å; G403-G435 PolarHBondContact O-N 3.18Å; G403-W680 VanDerWaalsContact C-CH2 3.49Å; G403-W680 VanDerWaalsContact O-CZ2 3.26Å; G403-W680 WeakPolarHBondContact O-CZ2 3.03Å | ||
| 404 | L | 85.7 | Confident | 78.8 | Confident | 36.5 Ų | 36.5 | 22.8 Ų | 22.8 | 19% | 0.191 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.6 | 174.3 | 175.3 | 115.2 | 0 | 0 | 0 | 108.9 | L378 L401 L433 L434 | L378-L404 HydrophobicContact CB-CB 3.96Å; L378-L404 HydrophobicContact CD1-CB 3.88Å; L378-L404 HydrophobicContact CD1-CD2 3.37Å; L378-L404 HydrophobicContact CD1-CG 4.15Å; L378-L404 HydrophobicContact CG-CB 3.94Å; L378-L404 HydrophobicContact CG-CD2 3.91Å; L378-L404 HydrophobicContact CG-CG 4.29Å; L378-L404 PolarHBondContact N-O 3.05Å; L401-L404 HydrophobicContact CD2-CB 4.1Å; L401-L404 HydrophobicContact CD2-CD1 4.3Å; L404-L433 CarbonylContact C-O 3.53Å; L404-L433 WeakPolarHBondContact CA-O 3.28Å; L404-L434 HydrophobicContact CD1-CD1 4.27Å; L404-L434 HydrophobicContact CD1-CD2 3.93Å; L404-L434 HydrophobicContact CD1-CG 3.87Å; L404-L434 HydrophobicContact CG-CG 4.33Å |
| 405 | Q | 86 | Confident | 80.6 | Confident | 14 Ų | 14 | 23 Ų | 23 | 7% | 0.065 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.9 | 171.2 | -169.2 | -178.8 | 16.6 | 0 | 0 | 109 | Q375 V376 R407 F432 L433 F684 | Q375-Q405 HydrophobicContact CG-CG 4.48Å; V376-Q405 CarbonylContact O-C 3.54Å; V376-Q405 VanDerWaalsContact O-CA 3.24Å; V376-Q405 WeakPolarHBondContact O-CA 3.4Å; Q405-R407 VanDerWaalsContact CD-NE 3.28Å; Q405-R407 VanDerWaalsContact CD-NH2 3.34Å; Q405-R407 HydrophobicContact CG-CG 4.34Å; Q405-R407 VanDerWaalsContact NE2-NH2 3.18Å; Q405-F432 CarbonylContact O-C 3.57Å; Q405-F432 WeakPolarHBondContact O-CA 3.41Å; Q405-L433 HydrophobicContact CB-CB 4.31Å; Q405-L433 PolarHBondContact N-O 2.89Å; Q405-L433 PolarHBondContact O-N 3.46Å; Q405-F684 HydrophobicContact CB-CE2 4.28Å |
| 406 | M | 87.6 | Confident | 81.9 | Confident | 48.5 Ų | 48.5 | 22.4 Ų | 22.4 | 24% | 0.239 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.3 | 169 | -176.6 | -170.7 | 82.8 | 0 | 0 | 108 | Q375 V376 E431 F432 | Q375-M406 CarbonylContact C-O 3.57Å; Q375-M406 VanDerWaalsContact CA-O 3.28Å; Q375-M406 WeakPolarHBondContact CA-O 3.13Å; V376-M406 HydrophobicContact CB-CB 4.07Å; V376-M406 HydrophobicContact CG2-CB 4.46Å; V376-M406 HydrophobicContact CG2-CE 3.69Å; V376-M406 PolarHBondContact N-O 2.96Å; V376-M406 PolarHBondContact O-N 3.43Å; M406-E431 CarbonylContact C-O 3.57Å; M406-E431 WeakPolarHBondContact CA-O 3.37Å; M406-F432 HydrophobicContact CB-CD1 3.89Å; M406-F432 HydrophobicContact CB-CE1 3.95Å; M406-F432 HydrophobicContact CG-CD1 3.73Å; M406-F432 HydrophobicContact CG-CE1 3.42Å; M406-F432 VanDerWaalsContact CG-CE1 3.42Å; M406-F432 HydrophobicContact CG-CG 4.45Å; M406-F432 HydrophobicContact CG-CZ 3.92Å; M406-F432 HydrophobicContact SD-CD1 4.36Å; M406-F432 HydrophobicContact SD-CE1 3.47Å; M406-F432 WeakPolarHBondContact SD-CE1 3.3Å; M406-F432 HydrophobicContact SD-CZ 3.8Å |
| 407 | R | 86.1 | Confident | 82.9 | Confident | 25 Ų | 25 | 21.2 Ų | 21.2 | 9% | 0.094 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.7 | 172.5 | -61.7 | 179.8 | -172.2 | 168.6 | 6.1 | 108.4 | F374 Q405 M430 E431 F657 Y658 | F374-R407 CarbonylContact O-C 3.54Å; F374-R407 WeakPolarHBondContact O-CA 3.22Å; Q405-R407 VanDerWaalsContact CD-NE 3.28Å; Q405-R407 VanDerWaalsContact CD-NH2 3.34Å; Q405-R407 HydrophobicContact CG-CG 4.34Å; Q405-R407 VanDerWaalsContact NE2-NH2 3.18Å; R407-M430 CarbonylContact O-C 3.57Å; R407-M430 VanDerWaalsContact O-CA 3.28Å; R407-M430 WeakPolarHBondContact O-CA 3.25Å; R407-E431 PolarHBondContact N-O 3.14Å; R407-E431 IonicContact NH1-OE2 3.17Å; R407-E431 PolarHBondContact O-N 3.07Å; R407-F657 HydrophobicContact CB-CE1 4.24Å; R407-F657 HydrophobicContact CB-CZ 4.25Å; R407-Y658 HydrophobicContact CB-CD2 4.23Å; R407-Y658 HydrophobicContact CB-CE2 3.85Å; R407-Y658 HydrophobicContact CG-CE2 4.45Å |
| 408 | A | 88.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 5% | 0.05 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S373 F374 W428 M429 M430 Y658 | S373-A408 WeakPolarHBondContact CA-O 3.15Å; F374-A408 HydrophobicContact CB-CB 4.27Å; F374-A408 HydrophobicContact CD2-CB 4.06Å; F374-A408 PolarHBondContact N-O 2.78Å; F374-A408 PolarHBondContact O-N 3.03Å; A408-W428 HydrophobicContact CB-CH2 3.46Å; A408-W428 VanDerWaalsContact CB-CH2 3.46Å; A408-W428 HydrophobicContact CB-CZ2 3.66Å; A408-W428 HydrophobicContact CB-CZ3 4.22Å; A408-M429 CarbonylContact C-O 3.55Å; A408-M429 WeakPolarHBondContact CA-O 3.21Å; A408-M429 WeakPolarHBondContact CB-O 3.43Å; A408-M430 HydrophobicContact CB-CB 4.15Å; A408-Y658 PolarHBondContact O-OH 2.95Å; A408-Y658 VanDerWaalsContact O-OH 3.09Å |
| 409 | E | 87.7 | Confident | 83.3 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.4 | 171.4 | -63.4 | -166.2 | 156.7 | 0 | 0 | 110 | K371 A372 S373 Y411 M429 F657 Y658 | K371-E409 VanDerWaalsContact CE-CD 3.44Å; K371-E409 WeakPolarHBondContact CE-OE1 3.37Å; K371-E409 IonicContact NZ-OE1 2.74Å; K371-E409 PolarHBondContact NZ-OE1 2.8Å; K371-E409 IonicContact NZ-OE2 3.64Å; A372-E409 CarbonylContact O-C 3.41Å; A372-E409 VanDerWaalsContact O-CA 3.25Å; A372-E409 WeakPolarHBondContact O-CA 3.3Å; S373-E409 PolarHBondContact OG-OE1 2.75Å; E409-Y411 HydrophobicContact CB-CE1 4.14Å; E409-Y411 VanDerWaalsContact OE2-CE1 3.31Å; E409-Y411 WeakPolarHBondContact OE2-CE1 3.2Å; E409-Y411 PolarHBondContact OE2-OH 2.97Å; E409-M429 HydrophobicContact CB-CE 4.44Å; E409-M429 PolarHBondContact N-O 3.15Å; E409-M429 PolarHBondContact O-N 2.89Å; E409-F657 HydrophobicContact CB-CD2 4.07Å; E409-F657 HydrophobicContact CB-CE2 4.02Å; E409-F657 HydrophobicContact CG-CD2 3.95Å; E409-F657 HydrophobicContact CG-CE2 3.88Å; E409-Y658 HydrophobicContact CG-CD2 3.61Å; E409-Y658 HydrophobicContact CG-CE2 3.34Å; E409-Y658 HydrophobicContact CG-CG 4.36Å; E409-Y658 WeakPolarHBondContact OE1-CA 3.45Å; E409-Y658 WeakPolarHBondContact OE1-CD2 3.49Å; E409-Y658 WeakPolarHBondContact OE1-CE2 3.15Å; E409-Y658 PolarHBondContact OE1-N 3.18Å; E409-Y658 PolarHBondContact OE2-N 2.83Å |
| 410 | D | 87.3 | Confident | 82.7 | Confident | 7.5 Ų | 7.5 | 22.5 Ų | 22.5 | 4% | 0.04 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.8 | 178.3 | -170.2 | -10.1 | 0 | 0 | 0 | 109.2 | K371 A372 F374 F412 E425 A427 W428 | K371-D410 CarbonylContact C-O 3.53Å; K371-D410 VanDerWaalsContact CA-O 3.32Å; K371-D410 WeakPolarHBondContact CA-O 3.41Å; A372-D410 HydrophobicContact CB-CB 4.29Å; A372-D410 PolarHBondContact N-O 2.77Å; A372-D410 PolarHBondContact O-N 2.81Å; F374-D410 HydrophobicContact CE2-CB 4.4Å; D410-F412 HydrophobicContact CB-CE2 4.04Å; D410-F412 HydrophobicContact CB-CZ 4.12Å; D410-F412 VanDerWaalsContact CG-CZ 3.41Å; D410-F412 WeakPolarHBondContact OD1-CZ 3.18Å; D410-F412 WeakPolarHBondContact OD2-CE1 3.29Å; D410-F412 WeakPolarHBondContact OD2-CZ 3.38Å; D410-E425 WeakPolarHBondContact OD1-CG 3.3Å; D410-A427 WeakPolarHBondContact CA-O 3.42Å; D410-A427 VanDerWaalsContact OD1-O 3.13Å; D410-W428 HydrophobicContact CB-CE3 3.73Å; D410-W428 HydrophobicContact CB-CZ3 3.85Å |
| 411 | Y | 88.2 | Confident | 82 | Confident | 5.5 Ų | 5.5 | 24 Ų | 24 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.4 | 179 | -57.1 | -26 | 0 | 0 | 0 | 112.2 | G370 K371 E409 E425 Y426 A427 M429 R633 A656 | G370-Y411 WeakPolarHBondContact O-CA 3.3Å; K371-Y411 HydrophobicContact CB-CD1 4.44Å; K371-Y411 HydrophobicContact CD-CE1 4.11Å; K371-Y411 HydrophobicContact CG-CD1 4.05Å; K371-Y411 HydrophobicContact CG-CE1 3.98Å; E409-Y411 HydrophobicContact CB-CE1 4.14Å; E409-Y411 VanDerWaalsContact OE2-CE1 3.31Å; E409-Y411 WeakPolarHBondContact OE2-CE1 3.2Å; E409-Y411 PolarHBondContact OE2-OH 2.97Å; Y411-E425 WeakPolarHBondContact O-CA 2.89Å; Y411-Y426 VanDerWaalsContact CB-CZ 3.43Å; Y411-Y426 WeakPolarHBondContact CB-OH 3.49Å; Y411-Y426 HydrophobicContact CD2-CE2 4.24Å; Y411-Y426 VanDerWaalsContact O-CD1 3.24Å; Y411-Y426 WeakPolarHBondContact O-CD1 3.2Å; Y411-Y426 PolarHBondContact O-N 2.74Å; Y411-A427 HydrophobicContact CD2-CB 3.92Å; Y411-A427 HydrophobicContact CG-CB 4.45Å; Y411-A427 PolarHBondContact N-O 2.78Å; Y411-M429 HydrophobicContact CD2-CE 4.13Å; Y411-M429 HydrophobicContact CE1-CE 4.29Å; Y411-M429 HydrophobicContact CE2-CE 3.28Å; Y411-M429 VanDerWaalsContact CZ-CE 3.45Å; Y411-M429 VanDerWaalsContact OH-CE 3.3Å; Y411-M429 WeakPolarHBondContact OH-CE 3.29Å; Y411-R633 HydrophobicContact CD2-CB 3.97Å; Y411-R633 HydrophobicContact CD2-CG 4.44Å; Y411-R633 HydrophobicContact CE2-CB 3.59Å; Y411-R633 HydrophobicContact CE2-CG 4.29Å; Y411-A656 PolarHBondContact OH-O 2.99Å |
| 412 | F | 86.2 | Confident | 81.4 | Confident | 18 Ų | 18 | 25.4 Ų | 25.4 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147.3 | -177.5 | -55.1 | -84.4 | 0 | 0 | 0 | 111.9 | F251 G370 A372 D410 P423 I424 E425 | F251-F412 HydrophobicContact CZ-CB 4.46Å; G370-F412 PolarHBondContact O-N 3.49Å; A372-F412 HydrophobicContact CB-CE2 3.87Å; D410-F412 HydrophobicContact CB-CE2 4.04Å; D410-F412 HydrophobicContact CB-CZ 4.12Å; D410-F412 VanDerWaalsContact CG-CZ 3.41Å; D410-F412 WeakPolarHBondContact OD1-CZ 3.18Å; D410-F412 WeakPolarHBondContact OD2-CE1 3.29Å; D410-F412 WeakPolarHBondContact OD2-CZ 3.38Å; F412-P423 HydrophobicContact CB-CB 3.92Å; F412-P423 HydrophobicContact CD1-CB 4.44Å; F412-I424 CarbonylContact C-O 3.52Å; F412-I424 VanDerWaalsContact CA-O 3.28Å; F412-I424 WeakPolarHBondContact CA-O 3.39Å; F412-E425 HydrophobicContact CD1-CB 4.13Å; F412-E425 HydrophobicContact CD1-CG 4.4Å; F412-E425 HydrophobicContact CE1-CB 4.05Å; F412-E425 HydrophobicContact CE1-CG 4.07Å |
| 413 | S | 84.5 | Confident | 81.3 | Confident | 7.5 Ų | 7.5 | 25.1 Ų | 25.1 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.1 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | R415 I424 H627 | S413-R415 WeakPolarHBondContact OG-CB 3.41Å; S413-R415 PolarHBondContact OG-N 3.02Å; S413-I424 PolarHBondContact N-O 3.19Å; S413-I424 PolarHBondContact O-N 2.92Å; S413-H627 WeakPolarHBondContact CB-ND1 3.37Å; S413-H627 WeakPolarHBondContact CB-O 3.38Å; S413-H627 PolarHBondContact OG-ND1 3.4Å; S413-H627 PolarHBondContact OG-O 3.13Å; S413-H627 VanDerWaalsContact OG-O 3.13Å |
| 414 | T | 81.8 | Confident | 81.3 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 13% | 0.129 | 15% | 0.147 | C | C | . | . | trans | -92.7 | -2.5 | 171.9 | 46.1 | 0 | 0 | 0 | 0 | 112 | D249 I250 F251 G416 C417 P423 | D249-T414 VanDerWaalsContact CG-OG1 3.32Å; D249-T414 VanDerWaalsContact OD1-CB 3.29Å; D249-T414 WeakPolarHBondContact OD1-CB 3.27Å; D249-T414 PolarHBondContact OD1-OG1 2.73Å; I250-T414 HydrophobicContact CD1-CG2 4.25Å; I250-T414 HydrophobicContact CG1-CG2 3.73Å; F251-T414 HydrophobicContact CD1-CG2 3.94Å; F251-T414 HydrophobicContact CD2-CG2 3.68Å; F251-T414 HydrophobicContact CE1-CG2 3.89Å; F251-T414 HydrophobicContact CE2-CG2 3.64Å; F251-T414 HydrophobicContact CG-CG2 3.83Å; F251-T414 HydrophobicContact CZ-CG2 3.74Å; T414-G416 PolarHBondContact O-N 3.35Å; T414-C417 VanDerWaalsContact O-CB 3.3Å; T414-C417 WeakPolarHBondContact O-CB 3.46Å; T414-C417 PolarHBondContact O-N 3.19Å; T414-P423 HydrophobicContact CG2-CB 4.21Å; T414-P423 HydrophobicContact CG2-CG 4.11Å | ||
| 415 | R | 80.9 | Confident | 81.2 | Confident | 79.5 Ų | 79.5 | 26.5 Ų | 26.5 | 30% | 0.3 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 123.8 | -175.1 | -157.3 | -174 | -173.5 | 104.7 | -9 | 110.5 | S413 C417 F626 H627 D630 | S413-R415 WeakPolarHBondContact OG-CB 3.41Å; S413-R415 PolarHBondContact OG-N 3.02Å; R415-C417 PolarHBondContact O-N 3.45Å; R415-F626 HydrophobicContact CB-CE1 4.15Å; R415-F626 HydrophobicContact CB-CZ 4.33Å; R415-F626 WeakPolarHBondContact CD-O 3.42Å; R415-F626 HydrophobicContact CG-CE1 4.02Å; R415-F626 HydrophobicContact CG-CE2 4.36Å; R415-F626 HydrophobicContact CG-CZ 3.83Å; R415-F626 WeakPolarHBondContact O-CE1 3.49Å; R415-H627 PolarHBondContact O-CE1 2.94Å; R415-H627 VanDerWaalsContact O-CE1 3.29Å; R415-D630 IonicContact CZ-OD1 2.75Å; R415-D630 IonicContact NH1-OD1 3.55Å; R415-D630 PolarHBondContact NH1-OD1 3.13Å; R415-D630 IonicContact NH1-OD2 2.81Å; R415-D630 PolarHBondContact NH1-OD2 3.01Å |
| 416 | G | 75.2 | Confident | 81.2 | Confident | 39 Ų | 39 | 25.8 Ų | 25.8 | 40% | 0.402 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T414 | T414-G416 PolarHBondContact O-N 3.35Š|
| 417 | C | 75.4 | Confident | 81.2 | Confident | 8 Ų | 8 | 23.5 Ų | 23.5 | 5% | 0.054 | 13% | 0.128 | C | C | . | . | trans | -90.4 | 148.8 | 176 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | F247 T414 R415 Q421 I424 | F247-C417 WeakPolarHBondContact CD1-O 3.36Å; T414-C417 VanDerWaalsContact O-CB 3.3Å; T414-C417 WeakPolarHBondContact O-CB 3.46Å; T414-C417 PolarHBondContact O-N 3.19Å; R415-C417 PolarHBondContact O-N 3.45Å; C417-Q421 HydrophobicContact CB-CB 4.33Å; C417-I424 VanDerWaalsContact SG-CD1 3.52Å; C417-I424 WeakPolarHBondContact SG-CD1 3.33Å | ||
| 418 | L | 75.9 | Confident | 81.2 | Confident | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | trans | -74.1 | 153.8 | 166.7 | -63.6 | 170.6 | 0 | 0 | 0 | 110.3 | A246 F247 N420 Q421 F474 I478 | A246-L418 HydrophobicContact CB-CD2 3.9Å; A246-L418 WeakPolarHBondContact O-CA 3.34Å; F247-L418 HydrophobicContact CD1-CD2 3.9Å; F247-L418 HydrophobicContact CD2-CD2 4.26Å; F247-L418 HydrophobicContact CE1-CD2 3.63Å; F247-L418 HydrophobicContact CE1-CG 4.15Å; F247-L418 HydrophobicContact CE2-CD2 4.01Å; F247-L418 HydrophobicContact CG-CD2 4.21Å; F247-L418 HydrophobicContact CZ-CD2 3.69Å; L418-N420 WeakPolarHBondContact CB-OD1 3.45Å; L418-N420 PolarHBondContact O-N 2.66Å; L418-Q421 HydrophobicContact CB-CG 4.05Å; L418-Q421 WeakPolarHBondContact O-CB 3.43Å; L418-Q421 PolarHBondContact O-N 3Å; L418-F474 HydrophobicContact CD1-CD1 4.49Å; L418-F474 HydrophobicContact CD1-CE1 4.11Å; L418-I478 HydrophobicContact CD1-CD1 3.97Å; L418-I478 HydrophobicContact CG-CD1 4.15Å | ||
| 419 | F | 75.2 | Confident | 81.2 | Confident | 16 Ų | 16 | 24.6 Ų | 24.6 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.5 | -178.4 | 71.3 | -94 | 0 | 0 | 0 | 114.5 | A246 I250 V312 V316 V317 Y320 | A246-F419 HydrophobicContact CB-CE1 4.48Å; A246-F419 VanDerWaalsContact O-CD1 3.29Å; A246-F419 WeakPolarHBondContact O-CD1 3.34Å; A246-F419 PolarHBondContact O-N 2.87Å; I250-F419 HydrophobicContact CG2-CB 4.04Å; V312-F419 HydrophobicContact CB-CE1 4.15Å; V312-F419 HydrophobicContact CB-CZ 4.39Å; V312-F419 HydrophobicContact CG1-CE1 4.33Å; V312-F419 HydrophobicContact CG1-CZ 4.06Å; V312-F419 HydrophobicContact CG2-CE1 3.83Å; V312-F419 HydrophobicContact CG2-CZ 4.23Å; V316-F419 HydrophobicContact CG1-CE2 4.11Å; V316-F419 HydrophobicContact CG1-CZ 4.27Å; V317-F419 HydrophobicContact CB-CD2 4.42Å; V317-F419 HydrophobicContact CG1-CB 4.07Å; V317-F419 HydrophobicContact CG1-CG 4.39Å; V317-F419 HydrophobicContact CG2-CB 4.4Å; V317-F419 HydrophobicContact CG2-CD1 4.14Å; V317-F419 HydrophobicContact CG2-CD2 4.04Å; V317-F419 HydrophobicContact CG2-CE2 4.39Å; V317-F419 HydrophobicContact CG2-CG 3.93Å; Y320-F419 AromaticContact CD2-CD2 3.76Å; Y320-F419 HydrophobicContact CD2-CD2 3.76Å; Y320-F419 AromaticContact CD2-CE2 3.93Å; Y320-F419 HydrophobicContact CD2-CE2 3.93Å; Y320-F419 HydrophobicContact CE2-CD2 4.06Å; Y320-F419 AromaticContact CE2-CE2 3.77Å; Y320-F419 HydrophobicContact CE2-CE2 3.77Å; Y320-F419 HydrophobicContact CG-CD2 4.41Å |
| 420 | N | 72.4 | Confident | 81.2 | Confident | 58.5 Ų | 58.5 | 26.5 Ų | 26.5 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 2 | -179.3 | 65.7 | -9.1 | 0 | 0 | 0 | 113.5 | Y320 L418 | Y320-N420 HydrophobicContact CD1-CB 4.46Å; Y320-N420 HydrophobicContact CE1-CB 3.95Å; Y320-N420 HydrophobicContact CE2-CB 4.27Å; L418-N420 WeakPolarHBondContact CB-OD1 3.45Å; L418-N420 PolarHBondContact O-N 2.66Å |
| 421 | Q | 72 | Confident | 81.2 | Confident | 47.5 Ų | 47.5 | 26.7 Ų | 26.7 | 22% | 0.222 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -92 | 153.9 | 176.9 | -73.2 | 176.3 | -24.4 | 0 | 0 | 111 | C417 L418 F474 | C417-Q421 HydrophobicContact CB-CB 4.33Å; L418-Q421 HydrophobicContact CB-CG 4.05Å; L418-Q421 WeakPolarHBondContact O-CB 3.43Å; L418-Q421 PolarHBondContact O-N 3Å; Q421-F474 HydrophobicContact CG-CD2 4.36Å; Q421-F474 HydrophobicContact CG-CE2 4.49Å |
| 422 | T | 72.5 | Confident | 81.2 | Confident | 55.5 Ų | 55.5 | 29.1 Ų | 29.1 | 34% | 0.34 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 138.4 | 170.7 | 41.6 | 0 | 0 | 0 | 0 | 109.8 | D289 | D289-T422 WeakPolarHBondContact OD1-CG2 3.4Å; D289-T422 PolarHBondContact OD1-OG1 2.9Å |
| 423 | P | 78.4 | Confident | 81.2 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -55.7 | 142.3 | 173.2 | -25.3 | 34.3 | 0 | 0 | 0 | 111.4 | I250 F251 F412 T414 E425 | I250-P423 HydrophobicContact CD1-CG 4.31Å; F251-P423 HydrophobicContact CE1-CG 4.15Å; F251-P423 HydrophobicContact CZ-CB 4.11Å; F251-P423 HydrophobicContact CZ-CG 4.01Å; F412-P423 HydrophobicContact CB-CB 3.92Å; F412-P423 HydrophobicContact CD1-CB 4.44Å; T414-P423 HydrophobicContact CG2-CB 4.21Å; T414-P423 HydrophobicContact CG2-CG 4.11Å; P423-E425 PolarHBondContact O-N 2.92Å |
| 424 | I | 79.7 | Confident | 81.3 | Confident | 41 Ų | 41 | 29.7 Ų | 29.7 | 21% | 0.21 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.3 | -179 | -69.2 | 167.6 | 0 | 0 | 0 | 109.7 | F412 S413 C417 Y426 P495 F623 | F412-I424 CarbonylContact C-O 3.52Å; F412-I424 VanDerWaalsContact CA-O 3.28Å; F412-I424 WeakPolarHBondContact CA-O 3.39Å; S413-I424 PolarHBondContact N-O 3.19Å; S413-I424 PolarHBondContact O-N 2.92Å; C417-I424 VanDerWaalsContact SG-CD1 3.52Å; C417-I424 WeakPolarHBondContact SG-CD1 3.33Å; I424-Y426 PolarHBondContact O-N 2.98Å; I424-P495 HydrophobicContact CG2-CG 4.15Å; I424-F623 HydrophobicContact CG2-CE2 4.2Å; I424-F623 HydrophobicContact CG2-CZ 3.82Å |
| 425 | E | 82.9 | Confident | 81.4 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 116.5 | 166.6 | -175.8 | -168 | 162.4 | 0 | 0 | 109.9 | D410 Y411 F412 P423 R500 | D410-E425 WeakPolarHBondContact OD1-CG 3.3Å; Y411-E425 WeakPolarHBondContact O-CA 2.89Å; F412-E425 HydrophobicContact CD1-CB 4.13Å; F412-E425 HydrophobicContact CD1-CG 4.4Å; F412-E425 HydrophobicContact CE1-CB 4.05Å; F412-E425 HydrophobicContact CE1-CG 4.07Å; P423-E425 PolarHBondContact O-N 2.92Å; E425-R500 WeakPolarHBondContact O-CD 3.42Å; E425-R500 PolarHBondContact O-NE 3.3Å; E425-R500 IonicContact OE1-NH1 3.9Å; E425-R500 IonicContact OE2-CZ 3.11Å; E425-R500 IonicContact OE2-NH1 3.09Å; E425-R500 PolarHBondContact OE2-NH1 3.2Å |
| 426 | Y | 86.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -17.9 | -179.2 | 69.9 | -91 | 0 | 0 | 0 | 113.8 | Y411 I424 Y501 L624 H627 D628 L634 | Y411-Y426 VanDerWaalsContact CB-CZ 3.43Å; Y411-Y426 WeakPolarHBondContact CB-OH 3.49Å; Y411-Y426 HydrophobicContact CD2-CE2 4.24Å; Y411-Y426 VanDerWaalsContact O-CD1 3.24Å; Y411-Y426 WeakPolarHBondContact O-CD1 3.2Å; Y411-Y426 PolarHBondContact O-N 2.74Å; I424-Y426 PolarHBondContact O-N 2.98Å; Y426-Y501 PolarHBondContact O-N 3.13Å; Y426-L624 HydrophobicContact CD2-CD2 4.36Å; Y426-L624 VanDerWaalsContact O-CD2 3.3Å; Y426-L624 WeakPolarHBondContact O-CD2 3.3Å; Y426-H627 HydrophobicContact CD1-CB 4Å; Y426-H627 HydrophobicContact CG-CB 3.88Å; Y426-D628 HydrophobicContact CD2-CB 4.31Å; Y426-D628 HydrophobicContact CE2-CB 3.67Å; Y426-D628 VanDerWaalsContact CE2-OD1 3.3Å; Y426-D628 WeakPolarHBondContact CE2-OD1 3.43Å; Y426-D628 VanDerWaalsContact CZ-OD1 3.32Å; Y426-D628 PolarHBondContact OH-OD1 3.26Å; Y426-D628 VanDerWaalsContact OH-OD1 3.09Å; Y426-L634 HydrophobicContact CD2-CD1 4.24Å; Y426-L634 HydrophobicContact CE2-CD1 4.11Å; Y426-L634 HydrophobicContact CE2-CG 4.46Å |
| 427 | A | 87.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 129.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D410 Y411 Y501 L634 | D410-A427 WeakPolarHBondContact CA-O 3.42Å; D410-A427 VanDerWaalsContact OD1-O 3.13Å; Y411-A427 HydrophobicContact CD2-CB 3.92Å; Y411-A427 HydrophobicContact CG-CB 4.45Å; Y411-A427 PolarHBondContact N-O 2.78Å; A427-Y501 CarbonylContact C-O 3.56Å; A427-Y501 VanDerWaalsContact CA-O 3.3Å; A427-Y501 WeakPolarHBondContact CA-O 3.42Å; A427-Y501 HydrophobicContact CB-CD1 4.33Å; A427-L634 HydrophobicContact CB-CD1 4.17Å; A427-L634 HydrophobicContact CB-CD2 4.4Å |
| 428 | W | 87.3 | Confident | 82.9 | Confident | 55 Ų | 55 | 32 Ų | 32 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127 | 174 | 177.2 | -76.5 | 0 | 0 | 0 | 110.1 | A408 D410 M430 Y501 F502 L503 | A408-W428 HydrophobicContact CB-CH2 3.46Å; A408-W428 VanDerWaalsContact CB-CH2 3.46Å; A408-W428 HydrophobicContact CB-CZ2 3.66Å; A408-W428 HydrophobicContact CB-CZ3 4.22Å; D410-W428 HydrophobicContact CB-CE3 3.73Å; D410-W428 HydrophobicContact CB-CZ3 3.85Å; W428-M430 HydrophobicContact CZ2-CB 4.44Å; W428-M430 HydrophobicContact CZ2-SD 4.5Å; W428-M430 PolarHBondContact NE1-SD 3.05Å; W428-Y501 PolarHBondContact N-O 3.28Å; W428-F502 HydrophobicContact CB-CD2 4.26Å; W428-F502 AromaticContact CD1-CD2 3.76Å; W428-F502 AromaticContact CD1-CE2 3.64Å; W428-F502 VanDerWaalsContact CD1-CE2 3.46Å; W428-F502 HydrophobicContact CG-CD2 4.32Å; W428-F502 HydrophobicContact CG-CE2 4.35Å; W428-F502 AromaticContact NE1-CE2 3.98Å; W428-F502 CarbonylContact O-C 3.48Å; W428-F502 VanDerWaalsContact O-CA 3.32Å; W428-F502 WeakPolarHBondContact O-CA 3.21Å; W428-L503 PolarHBondContact O-N 2.91Å |
| 429 | M | 88.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.1 | -179.8 | -56.7 | -177.7 | -79.2 | 0 | 0 | 110.8 | A408 E409 Y411 Y501 L503 T655 F657 | A408-M429 CarbonylContact C-O 3.55Å; A408-M429 WeakPolarHBondContact CA-O 3.21Å; A408-M429 WeakPolarHBondContact CB-O 3.43Å; E409-M429 HydrophobicContact CB-CE 4.44Å; E409-M429 PolarHBondContact N-O 3.15Å; E409-M429 PolarHBondContact O-N 2.89Å; Y411-M429 HydrophobicContact CD2-CE 4.13Å; Y411-M429 HydrophobicContact CE1-CE 4.29Å; Y411-M429 HydrophobicContact CE2-CE 3.28Å; Y411-M429 VanDerWaalsContact CZ-CE 3.45Å; Y411-M429 VanDerWaalsContact OH-CE 3.3Å; Y411-M429 WeakPolarHBondContact OH-CE 3.29Å; M429-Y501 HydrophobicContact CG-CD1 4.4Å; M429-Y501 HydrophobicContact CG-CE1 4.2Å; M429-Y501 HydrophobicContact SD-CD1 4.46Å; M429-Y501 HydrophobicContact SD-CE1 4.08Å; M429-L503 CarbonylContact C-O 3.58Å; M429-L503 VanDerWaalsContact CA-O 3.3Å; M429-L503 WeakPolarHBondContact CA-O 3.25Å; M429-L503 HydrophobicContact CB-CB 4.23Å; M429-L503 HydrophobicContact CB-CD2 4.48Å; M429-L503 HydrophobicContact CG-CB 3.92Å; M429-L503 HydrophobicContact CG-CD2 4.38Å; M429-L503 HydrophobicContact SD-CD2 4.27Å; M429-T655 HydrophobicContact SD-CG2 4.22Å; M429-F657 HydrophobicContact CB-CD2 3.48Å; M429-F657 VanDerWaalsContact CB-CD2 3.48Å; M429-F657 HydrophobicContact CB-CE2 3.59Å; M429-F657 HydrophobicContact CB-CG 4.36Å; M429-F657 HydrophobicContact CB-CZ 4.41Å; M429-F657 HydrophobicContact CE-CB 4.09Å; M429-F657 HydrophobicContact CE-CD2 4.06Å; M429-F657 HydrophobicContact CE-CG 4.47Å; M429-F657 HydrophobicContact CG-CD2 4.42Å; M429-F657 WeakPolarHBondContact O-CE2 3.33Å; M429-F657 HydrophobicContact SD-CB 4.19Å; M429-F657 HydrophobicContact SD-CD2 4.18Å; M429-F657 HydrophobicContact SD-CG 4.33Å |
| 430 | M | 88.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 20% | 0.197 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144.1 | -178.9 | 56.7 | -166.5 | -72.8 | 0 | 0 | 111.9 | R407 A408 W428 F432 F502 L503 A504 R505 | R407-M430 CarbonylContact O-C 3.57Å; R407-M430 VanDerWaalsContact O-CA 3.28Å; R407-M430 WeakPolarHBondContact O-CA 3.25Å; A408-M430 HydrophobicContact CB-CB 4.15Å; W428-M430 HydrophobicContact CZ2-CB 4.44Å; W428-M430 HydrophobicContact CZ2-SD 4.5Å; W428-M430 PolarHBondContact NE1-SD 3.05Å; M430-F432 HydrophobicContact CE-CD2 4.47Å; M430-F432 HydrophobicContact CE-CE2 3.34Å; M430-F432 HydrophobicContact CE-CZ 3.63Å; M430-F432 VanDerWaalsContact CE-CZ 3.46Å; M430-F432 HydrophobicContact CG-CE2 4.35Å; M430-F502 HydrophobicContact SD-CE2 4.07Å; M430-F502 HydrophobicContact SD-CZ 4.01Å; M430-L503 WeakPolarHBondContact CG-O 3.38Å; M430-L503 PolarHBondContact N-O 3.15Å; M430-A504 HydrophobicContact CG-CB 3.84Å; M430-A504 CarbonylContact O-C 3.49Å; M430-A504 WeakPolarHBondContact O-CA 3.42Å; M430-A504 HydrophobicContact SD-CB 4.32Å; M430-R505 PolarHBondContact O-N 3.06Å |
| 431 | E | 86.2 | Confident | 84.2 | Confident | 11.5 Ų | 11.5 | 28.6 Ų | 28.6 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 130.6 | -179.7 | -179.2 | 173.8 | -105.4 | 0 | 0 | 110.4 | M406 R407 L433 R505 F657 | M406-E431 CarbonylContact C-O 3.57Å; M406-E431 WeakPolarHBondContact CA-O 3.37Å; R407-E431 PolarHBondContact N-O 3.14Å; R407-E431 IonicContact NH1-OE2 3.17Å; R407-E431 PolarHBondContact O-N 3.07Å; E431-L433 HydrophobicContact CG-CD2 3.79Å; E431-L433 HydrophobicContact CG-CG 4.13Å; E431-R505 CarbonylContact C-O 3.41Å; E431-R505 VanDerWaalsContact CA-O 3.29Å; E431-R505 WeakPolarHBondContact CA-O 3.15Å; E431-R505 HydrophobicContact CB-CB 4.31Å; E431-R505 HydrophobicContact CG-CB 4.14Å; E431-R505 IonicContact OE1-NH1 3Å; E431-F657 HydrophobicContact CB-CE1 3.56Å; E431-F657 HydrophobicContact CB-CZ 3.88Å; E431-F657 HydrophobicContact CG-CE1 4.46Å |
| 432 | F | 88 | Confident | 84.7 | Confident | 56.5 Ų | 56.5 | 28.2 Ų | 28.2 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.4 | 170.8 | -61.5 | -93.4 | 0 | 0 | 0 | 109.2 | Q405 M406 M430 L434 R505 V506 S507 | Q405-F432 CarbonylContact O-C 3.57Å; Q405-F432 WeakPolarHBondContact O-CA 3.41Å; M406-F432 HydrophobicContact CB-CD1 3.89Å; M406-F432 HydrophobicContact CB-CE1 3.95Å; M406-F432 HydrophobicContact CG-CD1 3.73Å; M406-F432 HydrophobicContact CG-CE1 3.42Å; M406-F432 VanDerWaalsContact CG-CE1 3.42Å; M406-F432 HydrophobicContact CG-CG 4.45Å; M406-F432 HydrophobicContact CG-CZ 3.92Å; M406-F432 HydrophobicContact SD-CD1 4.36Å; M406-F432 HydrophobicContact SD-CE1 3.47Å; M406-F432 WeakPolarHBondContact SD-CE1 3.3Å; M406-F432 HydrophobicContact SD-CZ 3.8Å; M430-F432 HydrophobicContact CE-CD2 4.47Å; M430-F432 HydrophobicContact CE-CE2 3.34Å; M430-F432 HydrophobicContact CE-CZ 3.63Å; M430-F432 VanDerWaalsContact CE-CZ 3.46Å; M430-F432 HydrophobicContact CG-CE2 4.35Å; F432-L434 HydrophobicContact CB-CD1 3.99Å; F432-R505 PolarHBondContact N-O 3.27Å; F432-V506 HydrophobicContact CB-CG1 4.33Å; F432-V506 HydrophobicContact CB-CG2 4.34Å; F432-V506 HydrophobicContact CD2-CG2 4.03Å; F432-V506 CarbonylContact O-C 3.53Å; F432-V506 WeakPolarHBondContact O-CA 3.29Å; F432-S507 PolarHBondContact O-N 3.21Å; F432-S507 PolarHBondContact O-OG 3.37Å |
| 433 | L | 86 | Confident | 85 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110 | 173.8 | -53.6 | 175.7 | 0 | 0 | 0 | 107.8 | L404 Q405 E431 S507 W680 L683 | L404-L433 CarbonylContact C-O 3.53Å; L404-L433 WeakPolarHBondContact CA-O 3.28Å; Q405-L433 HydrophobicContact CB-CB 4.31Å; Q405-L433 PolarHBondContact N-O 2.89Å; Q405-L433 PolarHBondContact O-N 3.46Å; E431-L433 HydrophobicContact CG-CD2 3.79Å; E431-L433 HydrophobicContact CG-CG 4.13Å; L433-S507 WeakPolarHBondContact CD2-OG 3.34Å; L433-W680 PolarHBondContact O-NE1 2.72Å; L433-L683 HydrophobicContact CD2-CB 4.25Å; L433-L683 HydrophobicContact CD2-CD1 4.34Å |
| 434 | L | 87.3 | Confident | 84.8 | Confident | 35.5 Ų | 35.5 | 28.3 Ų | 28.3 | 19% | 0.186 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.4 | 176.7 | -62 | 96.6 | 0 | 0 | 0 | 108.8 | L401 L404 F432 V506 S507 L508 D509 W680 | L401-L434 HydrophobicContact CD1-CB 4.39Å; L401-L434 HydrophobicContact CD2-CD2 4.46Å; L404-L434 HydrophobicContact CD1-CD1 4.27Å; L404-L434 HydrophobicContact CD1-CD2 3.93Å; L404-L434 HydrophobicContact CD1-CG 3.87Å; L404-L434 HydrophobicContact CG-CG 4.33Å; F432-L434 HydrophobicContact CB-CD1 3.99Å; L434-V506 HydrophobicContact CD1-CG1 3.65Å; L434-S507 WeakPolarHBondContact CB-O 3.35Å; L434-S507 WeakPolarHBondContact CD1-O 3.33Å; L434-S507 PolarHBondContact N-O 3.09Å; L434-L508 HydrophobicContact CB-CB 4.22Å; L434-L508 HydrophobicContact CB-CD1 3.39Å; L434-L508 HydrophobicContact CB-CD2 3.39Å; L434-L508 HydrophobicContact CB-CG 4.18Å; L434-L508 HydrophobicContact CD1-CD2 4.29Å; L434-L508 HydrophobicContact CD1-CG 4.23Å; L434-L508 HydrophobicContact CD2-CD1 4.31Å; L434-L508 HydrophobicContact CD2-CD2 3.83Å; L434-L508 HydrophobicContact CG-CD1 4.37Å; L434-L508 HydrophobicContact CG-CD2 4.02Å; L434-L508 HydrophobicContact CG-CG 4.47Å; L434-L508 WeakPolarHBondContact O-CA 3.32Å; L434-D509 PolarHBondContact O-N 2.85Å; L434-D509 VanDerWaalsContact O-N 3.09Å; L434-W680 PolarHBondContact O-NE1 3.12Å |
| 435 | G | 84 | Confident | 84.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -144.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S402 G403 L437 L508 D509 W680 | S402-G435 WeakPolarHBondContact OG-CA 3.29Å; G403-G435 PolarHBondContact O-N 3.18Å; G435-L437 PolarHBondContact O-N 3.26Å; G435-L508 VanDerWaalsContact O-CD1 3.3Å; G435-L508 WeakPolarHBondContact O-CD1 3.28Å; G435-D509 PolarHBondContact O-N 2.84Å; G435-W680 VanDerWaalsContact CA-CG 3.44Å; G435-W680 VanDerWaalsContact N-CD1 3.28Å |
| 436 | E | 86.2 | Confident | 84.7 | Confident | 61.5 Ų | 61.5 | 27.5 Ų | 27.5 | 29% | 0.287 | 13% | 0.131 | S | C | . | . | trans | -78.3 | 122.7 | 176.2 | -50.5 | -172.1 | 160.2 | 0 | 0 | 111.2 | L401 S402 R438 V510 | L401-E436 WeakPolarHBondContact CA-O 3.41Å; S402-E436 PolarHBondContact N-O 3.17Å; S402-E436 PolarHBondContact OG-N 3.12Å; S402-E436 PolarHBondContact OG-O 2.89Å; E436-R438 HydrophobicContact CB-CG 4.32Å; E436-R438 IonicContact OE1-NH2 3.04Å; E436-R438 PolarHBondContact OE1-NH2 3.29Å; E436-R438 IonicContact OE2-CZ 3.25Å; E436-R438 IonicContact OE2-NE 3.06Å; E436-R438 PolarHBondContact OE2-NE 3.29Å; E436-R438 IonicContact OE2-NH2 3.17Å; E436-R438 PolarHBondContact OE2-NH2 3.02Å; E436-V510 CarbonylContact C-O 3.54Å; E436-V510 VanDerWaalsContact CA-O 3.31Å; E436-V510 WeakPolarHBondContact CA-O 3.21Å; E436-V510 HydrophobicContact CB-CB 4.15Å; E436-V510 HydrophobicContact CG-CB 3.99Å; E436-V510 HydrophobicContact CG-CG2 4.14Å | ||
| 437 | L | 89.3 | Confident | 84.3 | Confident | 42.5 Ų | 42.5 | 28.6 Ų | 28.6 | 22% | 0.223 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.3 | 170.2 | 179.9 | 64.8 | 0 | 0 | 0 | 109 | L399 T400 L401 G435 L508 V510 V511 D512 I513 | L399-L437 HydrophobicContact CD2-CD1 3.9Å; L399-L437 HydrophobicContact CD2-CG 4.17Å; T400-L437 CarbonylContact O-C 3.53Å; T400-L437 WeakPolarHBondContact O-CA 3.37Å; L401-L437 HydrophobicContact CB-CD1 4.49Å; L401-L437 HydrophobicContact CD1-CB 4.28Å; L401-L437 HydrophobicContact CD1-CD1 4.45Å; G435-L437 PolarHBondContact O-N 3.26Å; L437-L508 HydrophobicContact CB-CD1 4.23Å; L437-V510 PolarHBondContact N-O 3.17Å; L437-V511 HydrophobicContact CD2-CG1 4.48Å; L437-V511 WeakPolarHBondContact O-CA 3.43Å; L437-D512 PolarHBondContact O-N 2.94Å; L437-I513 HydrophobicContact CD2-CD1 3.92Å; L437-I513 HydrophobicContact CG-CD1 4.41Å |
| 438 | R | 86.7 | Confident | 83.7 | Confident | 92 Ų | 92 | 28.8 Ų | 28.8 | 35% | 0.347 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.6 | -177.7 | -53.8 | -168.3 | -174.4 | -145 | 4.5 | 112.1 | T400 E436 D512 | T400-R438 PolarHBondContact N-O 2.78Å; T400-R438 PolarHBondContact O-N 3.23Å; T400-R438 PolarHBondContact OG1-O 3.08Å; E436-R438 HydrophobicContact CB-CG 4.32Å; E436-R438 IonicContact OE1-NH2 3.04Å; E436-R438 PolarHBondContact OE1-NH2 3.29Å; E436-R438 IonicContact OE2-CZ 3.25Å; E436-R438 IonicContact OE2-NE 3.06Å; E436-R438 PolarHBondContact OE2-NE 3.29Å; E436-R438 IonicContact OE2-NH2 3.17Å; E436-R438 PolarHBondContact OE2-NH2 3.02Å; R438-D512 VanDerWaalsContact CA-O 3.31Å; R438-D512 WeakPolarHBondContact CA-O 3.28Å; R438-D512 HydrophobicContact CG-CB 4.17Å |
| 439 | G | 84.7 | Confident | 83.4 | Confident | 8.5 Ų | 8.5 | 27.1 Ų | 27.1 | 9% | 0.088 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E398 D512 I513 F514 | E398-G439 WeakPolarHBondContact O-CA 3.34Å; G439-D512 PolarHBondContact N-O 2.84Å; G439-D512 VanDerWaalsContact N-O 3.09Å; G439-I513 CarbonylContact O-C 3.56Å; G439-I513 WeakPolarHBondContact O-CA 3.44Å; G439-F514 PolarHBondContact O-N 3.16Å |
| 440 | G | 83.8 | Confident | 83.1 | Confident | 2.5 Ų | 2.5 | 31.4 Ų | 31.4 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S396 A397 E398 F514 | S396-G440 VanDerWaalsContact O-O 3.1Å; A397-G440 WeakPolarHBondContact CA-O 3.45Å; E398-G440 PolarHBondContact O-N 3.12Å; G440-F514 CarbonylContact C-O 3.54Å; G440-F514 VanDerWaalsContact CA-O 3.25Å; G440-F514 WeakPolarHBondContact CA-O 3.36Å |
| 441 | L | 83.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.5 | -179.3 | -67.4 | 176.7 | 0 | 0 | 0 | 110.2 | A397 L399 Q445 I446 I449 F514 I515 L516 | A397-L441 VanDerWaalsContact C-CD2 3.5Å; A397-L441 HydrophobicContact CB-CD2 3.61Å; L399-L441 HydrophobicContact CD1-CD1 3.31Å; L399-L441 HydrophobicContact CD1-CG 4.21Å; L399-L441 HydrophobicContact CG-CD1 3.88Å; L399-L441 HydrophobicContact CG-CG 4.26Å; L441-Q445 HydrophobicContact CB-CB 4.33Å; L441-Q445 HydrophobicContact CD1-CB 4.5Å; L441-I446 HydrophobicContact CB-CD1 4.01Å; L441-I446 HydrophobicContact CB-CG1 3.55Å; L441-I446 HydrophobicContact CD1-CG1 4.05Å; L441-I446 HydrophobicContact CG-CG1 4.45Å; L441-I446 WeakPolarHBondContact O-CD1 3.28Å; L441-I449 HydrophobicContact CD1-CD1 3.42Å; L441-I449 VanDerWaalsContact CD1-CD1 3.5Å; L441-F514 PolarHBondContact N-O 3.14Å; L441-I515 WeakPolarHBondContact O-CA 3.33Å; L441-L516 PolarHBondContact O-N 3.12Å |
| 442 | P | 81.6 | Confident | 82.1 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 26% | 0.26 | 16% | 0.161 | S | C | . | . | trans | -62.1 | 150.8 | 165.8 | 4.2 | -0.3 | 0 | 0 | 0 | 111.2 | K444 Q445 I446 L516 | P442-K444 PolarHBondContact O-N 3.01Å; P442-K444 VanDerWaalsContact O-N 3.17Å; P442-Q445 VanDerWaalsContact CD-OE1 3.31Å; P442-Q445 HydrophobicContact CG-CB 4.04Å; P442-Q445 HydrophobicContact CG-CG 3.83Å; P442-Q445 VanDerWaalsContact CG-OE1 3.25Å; P442-Q445 PolarHBondContact O-N 2.92Å; P442-I446 PolarHBondContact O-N 3.2Å; P442-I446 VanDerWaalsContact O-N 3.13Å; P442-L516 WeakPolarHBondContact CA-O 3.4Å | ||
| 443 | L | 79.5 | Confident | 81.8 | Confident | 22.5 Ų | 22.5 | 31.8 Ų | 31.8 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -39 | -175 | -172.9 | 55.9 | 0 | 0 | 0 | 111.9 | Q445 I446 C447 I515 E517 L889 C893 | L443-Q445 VanDerWaalsContact C-N 3.3Å; L443-Q445 PolarHBondContact O-N 2.82Å; L443-I446 PolarHBondContact O-N 2.97Å; L443-C447 WeakPolarHBondContact O-CB 3.4Å; L443-C447 PolarHBondContact O-N 2.89Å; L443-C447 PolarHBondContact O-SG 3.17Å; L443-C447 VanDerWaalsContact O-SG 3.35Å; L443-I515 HydrophobicContact CB-CG2 3.86Å; L443-I515 HydrophobicContact CD1-CD1 4.38Å; L443-I515 HydrophobicContact CD1-CG2 3.96Å; L443-I515 HydrophobicContact CG-CG2 4.4Å; L443-E517 WeakPolarHBondContact CA-OE1 3.36Å; L443-E517 HydrophobicContact CB-CG 4.28Å; L443-E517 WeakPolarHBondContact CB-OE1 3.33Å; L443-E517 PolarHBondContact N-OE1 2.97Å; L443-L889 HydrophobicContact CD2-CD2 4.49Å; L443-C893 WeakPolarHBondContact CD2-SG 3.23Å |
| 444 | K | 75.1 | Confident | 81.6 | Confident | 57.5 Ų | 57.5 | 34.3 Ų | 34.3 | 25% | 0.25 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.3 | -44.7 | 175.6 | -170.6 | -179.3 | -169.5 | -173 | 0 | 112 | E350 C351 P442 C448 N896 | E350-K444 IonicContact OE2-NZ 3.48Å; E350-K444 PolarHBondContact OE2-NZ 3.19Å; C351-K444 VanDerWaalsContact SG-CD 3.51Å; C351-K444 WeakPolarHBondContact SG-CE 3.39Å; C351-K444 VanDerWaalsContact SG-CG 3.54Å; P442-K444 PolarHBondContact O-N 3.01Å; P442-K444 VanDerWaalsContact O-N 3.17Å; K444-C448 PolarHBondContact O-N 3.04Å; K444-C448 VanDerWaalsContact O-N 3.1Å; K444-C448 PolarHBondContact O-SG 3.21Å; K444-N896 HydrophobicContact CB-CB 4.25Å; K444-N896 HydrophobicContact CD-CB 4.37Å; K444-N896 HydrophobicContact CG-CB 4.05Å |
| 445 | Q | 78.6 | Confident | 81.1 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.065 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.5 | -38.4 | -178.2 | -73.4 | -177.6 | -23.5 | 0 | 0 | 112.3 | C351 V385 L441 P442 L443 C447 C448 I449 | C351-Q445 PolarHBondContact O-NE2 3.34Å; V385-Q445 HydrophobicContact CG1-CG 4.35Å; V385-Q445 HydrophobicContact CG2-CB 4.43Å; L441-Q445 HydrophobicContact CB-CB 4.33Å; L441-Q445 HydrophobicContact CD1-CB 4.5Å; P442-Q445 VanDerWaalsContact CD-OE1 3.31Å; P442-Q445 HydrophobicContact CG-CB 4.04Å; P442-Q445 HydrophobicContact CG-CG 3.83Å; P442-Q445 VanDerWaalsContact CG-OE1 3.25Å; P442-Q445 PolarHBondContact O-N 2.92Å; L443-Q445 VanDerWaalsContact C-N 3.3Å; L443-Q445 PolarHBondContact O-N 2.82Å; Q445-C447 VanDerWaalsContact C-N 3.32Å; Q445-C447 PolarHBondContact O-N 2.87Å; Q445-C448 WeakPolarHBondContact O-CB 3.36Å; Q445-C448 PolarHBondContact O-N 3.18Å; Q445-I449 WeakPolarHBondContact O-CD1 3.4Å; Q445-I449 VanDerWaalsContact O-CG1 3.32Å; Q445-I449 WeakPolarHBondContact O-CG1 3.42Å; Q445-I449 PolarHBondContact O-N 3.08Å |
| 446 | I | 80.7 | Confident | 81 | Confident | 33.5 Ų | 33.5 | 33.9 Ų | 33.9 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 174.6 | -64.9 | 174.9 | 0 | 0 | 0 | 109.7 | L441 P442 L443 C448 I449 V450 I513 I515 | L441-I446 HydrophobicContact CB-CD1 4.01Å; L441-I446 HydrophobicContact CB-CG1 3.55Å; L441-I446 HydrophobicContact CD1-CG1 4.05Å; L441-I446 HydrophobicContact CG-CG1 4.45Å; L441-I446 WeakPolarHBondContact O-CD1 3.28Å; P442-I446 PolarHBondContact O-N 3.2Å; P442-I446 VanDerWaalsContact O-N 3.13Å; L443-I446 PolarHBondContact O-N 2.97Å; I446-C448 VanDerWaalsContact C-N 3.26Å; I446-C448 PolarHBondContact O-N 2.99Å; I446-I449 PolarHBondContact O-N 3.23Å; I446-V450 HydrophobicContact CG2-CG2 4.22Å; I446-V450 WeakPolarHBondContact O-CB 3.16Å; I446-V450 VanDerWaalsContact O-CG2 3.3Å; I446-V450 WeakPolarHBondContact O-CG2 3.21Å; I446-V450 PolarHBondContact O-N 3.09Å; I446-I513 HydrophobicContact CD1-CG2 4.23Å; I446-I515 HydrophobicContact CD1-CB 4.29Å; I446-I515 HydrophobicContact CD1-CG1 3.72Å; I446-I515 HydrophobicContact CD1-CG2 4.4Å |
| 447 | C | 77.5 | Confident | 80.8 | Confident | 24.5 Ų | 24.5 | 34.3 Ų | 34.3 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 177.2 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | L443 Q445 I449 V450 Q451 F897 L901 | L443-C447 WeakPolarHBondContact O-CB 3.4Å; L443-C447 PolarHBondContact O-N 2.89Å; L443-C447 PolarHBondContact O-SG 3.17Å; L443-C447 VanDerWaalsContact O-SG 3.35Å; Q445-C447 VanDerWaalsContact C-N 3.32Å; Q445-C447 PolarHBondContact O-N 2.87Å; C447-I449 PolarHBondContact O-N 2.91Å; C447-V450 PolarHBondContact O-N 3.17Å; C447-Q451 VanDerWaalsContact O-CB 3.26Å; C447-Q451 WeakPolarHBondContact O-CB 3.36Å; C447-Q451 PolarHBondContact O-N 3.34Å; C447-F897 HydrophobicContact CB-CD2 3.74Å; C447-F897 HydrophobicContact CB-CE2 3.83Å; C447-F897 VanDerWaalsContact CB-CE2 3.46Å; C447-F897 VanDerWaalsContact SG-CD2 3.57Å; C447-F897 VanDerWaalsContact SG-CE2 3.52Å; C447-L901 HydrophobicContact CB-CD1 3.7Å; C447-L901 HydrophobicContact CB-CD2 4.06Å |
| 448 | C | 76 | Confident | 80.2 | Confident | 2.5 Ų | 2.5 | 34.4 Ų | 34.4 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.9 | -71 | 0 | 0 | 0 | 0 | 111.9 | M348 C351 K444 Q445 I446 V450 Q451 E452 L901 | M348-C448 HydrophobicContact CE-CB 4.12Å; C351-C448 HydrophobicContact CB-CB 4.33Å; C351-C448 WeakPolarHBondContact CB-SG 3.43Å; C351-C448 PolarHBondContact SG-SG 3.43Å; K444-C448 PolarHBondContact O-N 3.04Å; K444-C448 VanDerWaalsContact O-N 3.1Å; K444-C448 PolarHBondContact O-SG 3.21Å; Q445-C448 WeakPolarHBondContact O-CB 3.36Å; Q445-C448 PolarHBondContact O-N 3.18Å; I446-C448 VanDerWaalsContact C-N 3.26Å; I446-C448 PolarHBondContact O-N 2.99Å; C448-V450 VanDerWaalsContact C-N 3.35Å; C448-V450 PolarHBondContact O-N 2.81Å; C448-Q451 PolarHBondContact O-N 3.14Å; C448-E452 WeakPolarHBondContact O-CB 3.31Å; C448-E452 VanDerWaalsContact O-CG 3.32Å; C448-E452 WeakPolarHBondContact O-CG 3.45Å; C448-E452 PolarHBondContact O-N 3.17Å; C448-L901 HydrophobicContact CB-CD2 4.16Å; C448-L901 WeakPolarHBondContact SG-CD2 3.06Å |
| 449 | I | 80 | Confident | 79.8 | Confident | 19.5 Ų | 19.5 | 31.1 Ų | 31.1 | 10% | 0.1 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 178.3 | -64.9 | 159.8 | 0 | 0 | 0 | 110.3 | P354 L383 V385 L441 Q445 I446 C447 Q451 E452 V453 | P354-I449 HydrophobicContact CB-CG1 4.36Å; L383-I449 HydrophobicContact CD2-CD1 4Å; L383-I449 HydrophobicContact CD2-CG2 4.32Å; V385-I449 HydrophobicContact CG2-CD1 4.02Å; V385-I449 HydrophobicContact CG2-CG1 4.41Å; L441-I449 HydrophobicContact CD1-CD1 3.42Å; L441-I449 VanDerWaalsContact CD1-CD1 3.5Å; Q445-I449 WeakPolarHBondContact O-CD1 3.4Å; Q445-I449 VanDerWaalsContact O-CG1 3.32Å; Q445-I449 WeakPolarHBondContact O-CG1 3.42Å; Q445-I449 PolarHBondContact O-N 3.08Å; I446-I449 PolarHBondContact O-N 3.23Å; C447-I449 PolarHBondContact O-N 2.91Å; I449-Q451 VanDerWaalsContact C-N 3.34Å; I449-Q451 PolarHBondContact O-N 2.85Å; I449-E452 PolarHBondContact O-N 2.85Å; I449-V453 HydrophobicContact CG2-CG2 4.13Å; I449-V453 VanDerWaalsContact O-CB 3.32Å; I449-V453 WeakPolarHBondContact O-CB 3.24Å; I449-V453 VanDerWaalsContact O-CG2 3.22Å; I449-V453 WeakPolarHBondContact O-CG2 3.33Å; I449-V453 PolarHBondContact O-N 3.49Å |
| 450 | V | 81.6 | Confident | 79.5 | Confident | 90.5 Ų | 90.5 | 33.9 Ų | 33.9 | 55% | 0.548 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.7 | -44 | 179.6 | 171 | 0 | 0 | 0 | 0 | 110.9 | I446 C447 C448 S454 | I446-V450 HydrophobicContact CG2-CG2 4.22Å; I446-V450 WeakPolarHBondContact O-CB 3.16Å; I446-V450 VanDerWaalsContact O-CG2 3.3Å; I446-V450 WeakPolarHBondContact O-CG2 3.21Å; I446-V450 PolarHBondContact O-N 3.09Å; C447-V450 PolarHBondContact O-N 3.17Å; C448-V450 VanDerWaalsContact C-N 3.35Å; C448-V450 PolarHBondContact O-N 2.81Å; V450-S454 WeakPolarHBondContact O-CB 3.17Å; V450-S454 PolarHBondContact O-N 3.12Å |
| 451 | Q | 76.6 | Confident | 79.1 | Confident | 52.5 Ų | 52.5 | 37.9 Ų | 37.9 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 178.5 | -173.6 | 63.1 | 40.1 | 0 | 0 | 111.8 | C447 C448 I449 S454 N455 L901 | C447-Q451 VanDerWaalsContact O-CB 3.26Å; C447-Q451 WeakPolarHBondContact O-CB 3.36Å; C447-Q451 PolarHBondContact O-N 3.34Å; C448-Q451 PolarHBondContact O-N 3.14Å; I449-Q451 VanDerWaalsContact C-N 3.34Å; I449-Q451 PolarHBondContact O-N 2.85Å; Q451-S454 PolarHBondContact O-N 3.15Å; Q451-N455 PolarHBondContact NE2-ND2 2.97Å; Q451-N455 PolarHBondContact NE2-OD1 3.47Å; Q451-N455 VanDerWaalsContact O-CB 3.3Å; Q451-N455 WeakPolarHBondContact O-CB 3.47Å; Q451-N455 PolarHBondContact O-N 3.28Å; Q451-N455 PolarHBondContact O-ND2 3.03Å; Q451-L901 HydrophobicContact CB-CD2 3.82Å; Q451-L901 VanDerWaalsContact CB-CD2 3.49Å; Q451-L901 HydrophobicContact CG-CD2 3.9Å |
| 452 | E | 77.3 | Confident | 78.7 | Confident | 4.5 Ų | 4.5 | 38.8 Ų | 38.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 179.1 | -74.2 | -60.1 | 136.9 | 0 | 0 | 111.8 | G340 M348 P354 C448 I449 N455 F456 | G340-E452 WeakPolarHBondContact CA-OE2 3.11Å; G340-E452 PolarHBondContact N-OE2 3.39Å; M348-E452 HydrophobicContact CE-CG 4.13Å; M348-E452 WeakPolarHBondContact CE-OE1 3.43Å; P354-E452 HydrophobicContact CG-CB 4.27Å; C448-E452 WeakPolarHBondContact O-CB 3.31Å; C448-E452 VanDerWaalsContact O-CG 3.32Å; C448-E452 WeakPolarHBondContact O-CG 3.45Å; C448-E452 PolarHBondContact O-N 3.17Å; I449-E452 PolarHBondContact O-N 2.85Å; E452-N455 PolarHBondContact O-N 2.77Å; E452-F456 WeakPolarHBondContact O-CB 3.46Å; E452-F456 PolarHBondContact O-N 3.31Å |
| 453 | V | 81.8 | Confident | 78.3 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L338 I449 F456 V457 | L338-V453 HydrophobicContact CD2-CG2 3.56Å; I449-V453 HydrophobicContact CG2-CG2 4.13Å; I449-V453 VanDerWaalsContact O-CB 3.32Å; I449-V453 WeakPolarHBondContact O-CB 3.24Å; I449-V453 VanDerWaalsContact O-CG2 3.22Å; I449-V453 WeakPolarHBondContact O-CG2 3.33Å; I449-V453 PolarHBondContact O-N 3.49Å; V453-F456 PolarHBondContact O-N 3.08Å; V453-V457 HydrophobicContact CG1-CG2 4.27Å; V453-V457 WeakPolarHBondContact O-CB 3.32Å; V453-V457 VanDerWaalsContact O-CG2 3.32Å; V453-V457 WeakPolarHBondContact O-CG2 3.37Å; V453-V457 PolarHBondContact O-N 3.46Å |
| 454 | S | 80.8 | Confident | 78 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.6 | -52.2 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | V450 Q451 F456 V457 T458 | V450-S454 WeakPolarHBondContact O-CB 3.17Å; V450-S454 PolarHBondContact O-N 3.12Å; Q451-S454 PolarHBondContact O-N 3.15Å; S454-F456 VanDerWaalsContact C-N 3.3Å; S454-F456 PolarHBondContact O-N 3.07Å; S454-V457 PolarHBondContact O-N 3.27Å; S454-T458 WeakPolarHBondContact O-CB 3.24Å; S454-T458 PolarHBondContact O-N 3.14Å; S454-T458 PolarHBondContact O-OG1 3.3Å |
| 455 | N | 77.3 | Confident | 77.9 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 176.4 | -74.4 | -13.3 | 0 | 0 | 0 | 111.2 | Q451 E452 T458 L459 N906 | Q451-N455 PolarHBondContact NE2-ND2 2.97Å; Q451-N455 PolarHBondContact NE2-OD1 3.47Å; Q451-N455 VanDerWaalsContact O-CB 3.3Å; Q451-N455 WeakPolarHBondContact O-CB 3.47Å; Q451-N455 PolarHBondContact O-N 3.28Å; Q451-N455 PolarHBondContact O-ND2 3.03Å; E452-N455 PolarHBondContact O-N 2.77Å; N455-T458 PolarHBondContact O-N 2.94Å; N455-L459 VanDerWaalsContact O-CB 3.27Å; N455-L459 WeakPolarHBondContact O-CB 3.38Å; N455-L459 VanDerWaalsContact O-CG 3.27Å; N455-L459 WeakPolarHBondContact O-CG 3.35Å; N455-L459 PolarHBondContact O-N 3.09Å; N455-N906 PolarHBondContact ND2-OD1 3.1Å |
| 456 | F | 82 | Confident | 77.7 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -53.8 | 179.6 | 179.7 | -90.4 | 0 | 0 | 0 | 112.1 | F271 M272 P273 L276 L338 E452 V453 S454 T458 L459 M460 | F271-F456 HydrophobicContact CB-CE2 3.93Å; F271-F456 HydrophobicContact CB-CZ 4.22Å; M272-F456 VanDerWaalsContact C-CE2 3.45Å; P273-F456 HydrophobicContact CG-CD2 3.92Å; P273-F456 HydrophobicContact CG-CE2 4.48Å; L276-F456 HydrophobicContact CD1-CE1 4.26Å; L276-F456 HydrophobicContact CD1-CZ 3.79Å; L338-F456 HydrophobicContact CD1-CB 4.12Å; L338-F456 HydrophobicContact CD1-CD1 4Å; L338-F456 HydrophobicContact CD1-CD2 3.47Å; L338-F456 VanDerWaalsContact CD1-CD2 3.47Å; L338-F456 HydrophobicContact CD1-CE1 4.26Å; L338-F456 HydrophobicContact CD1-CE2 3.75Å; L338-F456 HydrophobicContact CD1-CG 3.6Å; L338-F456 HydrophobicContact CD1-CZ 4.13Å; E452-F456 WeakPolarHBondContact O-CB 3.46Å; E452-F456 PolarHBondContact O-N 3.31Å; V453-F456 PolarHBondContact O-N 3.08Å; S454-F456 VanDerWaalsContact C-N 3.3Å; S454-F456 PolarHBondContact O-N 3.07Å; F456-T458 VanDerWaalsContact C-N 3.31Å; F456-T458 PolarHBondContact O-N 2.99Å; F456-L459 PolarHBondContact O-N 2.96Å; F456-M460 HydrophobicContact CD1-CE 3.86Å; F456-M460 HydrophobicContact CD1-CG 3.88Å; F456-M460 HydrophobicContact CE1-CE 3.8Å; F456-M460 HydrophobicContact CE1-CG 3.64Å; F456-M460 HydrophobicContact CE1-SD 4.02Å; F456-M460 HydrophobicContact CE2-CG 4.37Å; F456-M460 HydrophobicContact CG-CG 4.35Å; F456-M460 HydrophobicContact CZ-CE 4.36Å; F456-M460 HydrophobicContact CZ-CG 3.91Å; F456-M460 HydrophobicContact CZ-SD 3.87Å; F456-M460 VanDerWaalsContact O-CB 3.24Å; F456-M460 WeakPolarHBondContact O-CB 3.23Å; F456-M460 WeakPolarHBondContact O-CG 3.23Å; F456-M460 PolarHBondContact O-N 3.26Å |
| 457 | V | 81.8 | Confident | 77.3 | Confident | 69.5 Ų | 69.5 | 46.1 Ų | 46.1 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 179.7 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V453 S454 L459 M460 C461 | V453-V457 HydrophobicContact CG1-CG2 4.27Å; V453-V457 WeakPolarHBondContact O-CB 3.32Å; V453-V457 VanDerWaalsContact O-CG2 3.32Å; V453-V457 WeakPolarHBondContact O-CG2 3.37Å; V453-V457 PolarHBondContact O-N 3.46Å; S454-V457 PolarHBondContact O-N 3.27Å; V457-L459 PolarHBondContact O-N 3.29Å; V457-M460 WeakPolarHBondContact O-CB 3.42Å; V457-M460 PolarHBondContact O-N 2.88Å; V457-C461 WeakPolarHBondContact O-CB 3.33Å; V457-C461 PolarHBondContact O-N 3.24Å; V457-C461 PolarHBondContact O-SG 2.98Å; V457-C461 VanDerWaalsContact O-SG 3.37Å |
| 458 | T | 77.4 | Confident | 76.9 | Confident | 44.5 Ų | 44.5 | 48.3 Ų | 48.3 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | -177.2 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | S454 N455 F456 C461 N462 V913 | S454-T458 WeakPolarHBondContact O-CB 3.24Å; S454-T458 PolarHBondContact O-N 3.14Å; S454-T458 PolarHBondContact O-OG1 3.3Å; N455-T458 PolarHBondContact O-N 2.94Å; F456-T458 VanDerWaalsContact C-N 3.31Å; F456-T458 PolarHBondContact O-N 2.99Å; T458-C461 PolarHBondContact O-N 3.45Å; T458-N462 PolarHBondContact O-N 2.99Å; T458-V913 HydrophobicContact CG2-CB 3.7Å; T458-V913 HydrophobicContact CG2-CG1 2.99Å; T458-V913 HydrophobicContact CG2-CG2 3.3Å |
| 459 | L | 79.1 | Confident | 76.3 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 174.3 | -73.4 | 170.2 | 0 | 0 | 0 | 111.4 | Y178 F181 P273 G340 T341 N455 F456 V457 C461 N462 V909 | Y178-L459 HydrophobicContact CE1-CB 4.2Å; Y178-L459 HydrophobicContact CE1-CD2 4.32Å; Y178-L459 PolarHBondContact OH-O 3.19Å; F181-L459 HydrophobicContact CD2-CD2 4.16Å; F181-L459 HydrophobicContact CE2-CD2 4.05Å; F181-L459 HydrophobicContact CZ-CD2 4.26Å; P273-L459 HydrophobicContact CB-CB 3.59Å; P273-L459 HydrophobicContact CG-CB 3.67Å; P273-L459 HydrophobicContact CG-CD1 4.02Å; G340-L459 VanDerWaalsContact O-CD1 3.24Å; G340-L459 WeakPolarHBondContact O-CD1 3.5Å; T341-L459 HydrophobicContact CG2-CD1 4.44Å; N455-L459 VanDerWaalsContact O-CB 3.27Å; N455-L459 WeakPolarHBondContact O-CB 3.38Å; N455-L459 VanDerWaalsContact O-CG 3.27Å; N455-L459 WeakPolarHBondContact O-CG 3.35Å; N455-L459 PolarHBondContact O-N 3.09Å; F456-L459 PolarHBondContact O-N 2.96Å; V457-L459 PolarHBondContact O-N 3.29Å; L459-C461 VanDerWaalsContact C-N 3.29Å; L459-C461 PolarHBondContact O-N 2.78Å; L459-N462 WeakPolarHBondContact O-CB 3.31Å; L459-N462 PolarHBondContact O-N 3.19Å; L459-N462 VanDerWaalsContact O-N 3.13Å; L459-V909 HydrophobicContact CD1-CG1 4.06Å; L459-V909 HydrophobicContact CD2-CG1 4.18Å; L459-V909 HydrophobicContact CG-CG1 4.15Å |
| 460 | M | 78 | Confident | 75.3 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.6 | -124.6 | -122.1 | -58.4 | 0 | 0 | 112.1 | P273 L276 F456 V457 N462 | P273-M460 HydrophobicContact CB-CG 4.05Å; L276-M460 HydrophobicContact CB-CE 3.61Å; L276-M460 HydrophobicContact CB-SD 3.54Å; L276-M460 VanDerWaalsContact CB-SD 3.54Å; L276-M460 HydrophobicContact CD1-CE 3.28Å; L276-M460 HydrophobicContact CD1-SD 3.71Å; L276-M460 HydrophobicContact CG-CE 4.06Å; L276-M460 HydrophobicContact CG-SD 4.16Å; F456-M460 HydrophobicContact CD1-CE 3.86Å; F456-M460 HydrophobicContact CD1-CG 3.88Å; F456-M460 HydrophobicContact CE1-CE 3.8Å; F456-M460 HydrophobicContact CE1-CG 3.64Å; F456-M460 HydrophobicContact CE1-SD 4.02Å; F456-M460 HydrophobicContact CE2-CG 4.37Å; F456-M460 HydrophobicContact CG-CG 4.35Å; F456-M460 HydrophobicContact CZ-CE 4.36Å; F456-M460 HydrophobicContact CZ-CG 3.91Å; F456-M460 HydrophobicContact CZ-SD 3.87Å; F456-M460 VanDerWaalsContact O-CB 3.24Å; F456-M460 WeakPolarHBondContact O-CB 3.23Å; F456-M460 WeakPolarHBondContact O-CG 3.23Å; F456-M460 PolarHBondContact O-N 3.26Å; V457-M460 WeakPolarHBondContact O-CB 3.42Å; V457-M460 PolarHBondContact O-N 2.88Å; M460-N462 PolarHBondContact O-N 3.31Å |
| 461 | C | 75.6 | Confident | 74 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 13 | 179 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | V457 T458 L459 N463 | V457-C461 WeakPolarHBondContact O-CB 3.33Å; V457-C461 PolarHBondContact O-N 3.24Å; V457-C461 PolarHBondContact O-SG 2.98Å; V457-C461 VanDerWaalsContact O-SG 3.37Å; T458-C461 PolarHBondContact O-N 3.45Å; L459-C461 VanDerWaalsContact C-N 3.29Å; L459-C461 PolarHBondContact O-N 2.78Å; C461-N463 PolarHBondContact O-OD1 3.15Å |
| 462 | N | 75.1 | Confident | 72.6 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | trans | -86.1 | 116.1 | -176.6 | -173.3 | 29.8 | 0 | 0 | 0 | 111.3 | T458 L459 M460 E464 S916 | T458-N462 PolarHBondContact O-N 2.99Å; L459-N462 WeakPolarHBondContact O-CB 3.31Å; L459-N462 PolarHBondContact O-N 3.19Å; L459-N462 VanDerWaalsContact O-N 3.13Å; M460-N462 PolarHBondContact O-N 3.31Å; N462-E464 PolarHBondContact O-N 3.1Å; N462-E464 VanDerWaalsContact O-N 3.15Å; N462-E464 VanDerWaalsContact OD1-CG 3.28Å; N462-E464 WeakPolarHBondContact OD1-CG 3.33Å; N462-S916 PolarHBondContact OD1-OG 3.16Å | ||
| 463 | N | 71.7 | Confident | 71.1 | Confident | 88.5 Ų | 88.5 | 54.4 Ų | 54.4 | 47% | 0.473 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -86.7 | 12 | -173.4 | -62.4 | 7.7 | 0 | 0 | 0 | 113.7 | C461 E465 D466 | C461-N463 PolarHBondContact O-OD1 3.15Å; N463-E465 VanDerWaalsContact C-N 3.27Å; N463-E465 PolarHBondContact O-N 2.9Å; N463-D466 WeakPolarHBondContact CA-OD2 3.38Å; N463-D466 VanDerWaalsContact CB-OD2 3.24Å; N463-D466 WeakPolarHBondContact CB-OD2 3.22Å; N463-D466 VanDerWaalsContact O-CB 3.28Å; N463-D466 WeakPolarHBondContact O-CB 3.33Å; N463-D466 PolarHBondContact O-N 3.15Å |
| 464 | E | 73.8 | Confident | 69.3 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -68.3 | -25.9 | -177.2 | -68.9 | -63 | 137.6 | 0 | 0 | 113.9 | T177 N462 D466 F912 S916 H920 N1222 | T177-E464 HydrophobicContact CG2-CB 4.25Å; N462-E464 PolarHBondContact O-N 3.1Å; N462-E464 VanDerWaalsContact O-N 3.15Å; N462-E464 VanDerWaalsContact OD1-CG 3.28Å; N462-E464 WeakPolarHBondContact OD1-CG 3.33Å; E464-D466 VanDerWaalsContact C-N 3.32Å; E464-F912 HydrophobicContact CG-CE1 4.43Å; E464-F912 HydrophobicContact CG-CZ 4.16Å; E464-S916 WeakPolarHBondContact CG-OG 3.38Å; E464-S916 WeakPolarHBondContact OE1-CB 3.34Å; E464-S916 PolarHBondContact OE1-OG 3.16Å; E464-H920 IonicContact OE1-CD2 3.4Å; E464-H920 PolarHBondContact OE1-CD2 2.84Å; E464-H920 IonicContact OE1-CE1 2.9Å; E464-H920 IonicContact OE1-NE2 3.2Å; E464-H920 PolarHBondContact OE1-NE2 2.9Å; E464-H920 IonicContact OE2-CD2 3.41Å; E464-H920 IonicContact OE2-CE1 3.54Å; E464-H920 IonicContact OE2-NE2 3.57Å; E464-H920 PolarHBondContact OE2-NE2 3.23Å; E464-N1222 WeakPolarHBondContact OE1-CB 3.37Å; E464-N1222 PolarHBondContact OE1-ND2 3.19Å |
| 465 | E | 72.6 | Confident | 67.3 | Low | 69 Ų | 69 | 58.2 Ų | 58.2 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -94.8 | -1.1 | -179.6 | -64.8 | -68.8 | 151.5 | 0 | 0 | 112 | H176 T177 N463 L467 R1220 | H176-E465 IonicContact CD2-OE2 2.61Å; H176-E465 VanDerWaalsContact CE1-CG 3.41Å; H176-E465 WeakPolarHBondContact CE1-CG 3.43Å; H176-E465 IonicContact ND1-OE1 3.69Å; H176-E465 IonicContact NE2-OE2 3.08Å; T177-E465 WeakPolarHBondContact CB-OE1 3.47Å; T177-E465 VanDerWaalsContact CG2-OE1 3.24Å; T177-E465 WeakPolarHBondContact CG2-OE1 3.28Å; T177-E465 PolarHBondContact N-OE1 3.19Å; T177-E465 WeakPolarHBondContact OG1-CG 3.42Å; T177-E465 PolarHBondContact OG1-OE1 2.96Å; N463-E465 VanDerWaalsContact C-N 3.27Å; N463-E465 PolarHBondContact O-N 2.9Å; E465-L467 PolarHBondContact O-N 3.25Å; E465-R1220 IonicContact OE1-CZ 3.05Å; E465-R1220 IonicContact OE1-NH1 3.82Å; E465-R1220 PolarHBondContact OE1-NH1 3.25Å; E465-R1220 IonicContact OE1-NH2 2.73Å; E465-R1220 PolarHBondContact OE1-NH2 2.85Å; E465-R1220 VanDerWaalsContact OE1-NH2 3.1Å; E465-R1220 IonicContact OE2-CZ 3.1Å; E465-R1220 IonicContact OE2-NE 2.76Å; E465-R1220 PolarHBondContact OE2-NE 3.01Å; E465-R1220 IonicContact OE2-NH1 3.97Å; E465-R1220 PolarHBondContact OE2-NH1 2.85Å; E465-R1220 IonicContact OE2-NH2 2.71Å; E465-R1220 PolarHBondContact OE2-NH2 2.96Å |
| 466 | D | 74 | Confident | 65.4 | Low | 75 Ų | 75 | 60.8 Ų | 60.8 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -65 | 125.2 | 176.9 | -68.6 | -7.9 | 0 | 0 | 0 | 110 | N463 E464 R1220 L1221 | N463-D466 WeakPolarHBondContact CA-OD2 3.38Å; N463-D466 VanDerWaalsContact CB-OD2 3.24Å; N463-D466 WeakPolarHBondContact CB-OD2 3.22Å; N463-D466 VanDerWaalsContact O-CB 3.28Å; N463-D466 WeakPolarHBondContact O-CB 3.33Å; N463-D466 PolarHBondContact O-N 3.15Å; E464-D466 VanDerWaalsContact C-N 3.32Å; D466-R1220 WeakPolarHBondContact O-CA 3.24Å; D466-L1221 PolarHBondContact O-N 3.28Å; D466-L1221 VanDerWaalsContact O-N 3.13Å |
| 467 | L | 73.8 | Confident | 63.3 | Low | 83.5 Ų | 83.5 | 63.7 Ų | 63.7 | 44% | 0.437 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -85.5 | 140.6 | 174.4 | -60.6 | 176 | 0 | 0 | 0 | 109.1 | E465 F1216 R1219 R1220 | E465-L467 PolarHBondContact O-N 3.25Å; L467-F1216 HydrophobicContact CD1-CD1 3.86Å; L467-F1216 HydrophobicContact CD1-CE1 4.26Å; L467-F1216 HydrophobicContact CD2-CB 3.99Å; L467-F1216 HydrophobicContact CD2-CD1 4.21Å; L467-F1216 HydrophobicContact CD2-CG 4.49Å; L467-R1219 HydrophobicContact CD2-CB 4.24Å; L467-R1220 HydrophobicContact CD2-CG 3.88Å |
| 468 | L | 69 | Low | 61.4 | Low | 70 Ų | 70 | 64.7 Ų | 64.7 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 128.7 | 166.5 | -75.2 | 165.3 | 0 | 0 | 0 | 108 | R1219 L1221 | L468-R1219 WeakPolarHBondContact CB-O 3.43Å; L468-R1219 WeakPolarHBondContact CG-O 3.15Å; L468-R1219 PolarHBondContact N-O 3.49Å; L468-L1221 HydrophobicContact CD2-CD1 3.53Å; L468-L1221 HydrophobicContact CG-CD1 4.46Å |
| 469 | P | 62.9 | Low | 59.5 | Low | 72.5 Ų | 72.5 | 69 Ų | 69 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -56 | 143.3 | 175.8 | 23.1 | -32.5 | 0 | 0 | 0 | 109.4 | W290 | W290-P469 HydrophobicContact CH2-CB 3.09Å; W290-P469 HydrophobicContact CH2-CG 4.34Å; W290-P469 HydrophobicContact CZ2-CB 3.62Å; W290-P469 HydrophobicContact CZ3-CB 3.79Å |
| 470 | P | 59.6 | Low | 57.5 | Low | 33.5 Ų | 33.5 | 70.5 Ų | 70.5 | 22% | 0.218 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 140.4 | 171 | 24.5 | -34.1 | 0 | 0 | 0 | 108.8 | W290 T294 T472 | W290-P470 HydrophobicContact CE3-CG 3.76Å; W290-P470 VanDerWaalsContact CZ3-CD 3.44Å; W290-P470 HydrophobicContact CZ3-CG 3.63Å; T294-P470 HydrophobicContact CG2-CB 4Å; P470-T472 VanDerWaalsContact C-N 3.31Å; P470-T472 PolarHBondContact O-N 2.91Å |
| 471 | P | 53.9 | Low | 55.5 | Low | 52 Ų | 52 | 75.2 Ų | 75.2 | 34% | 0.338 | 42% | 0.42 | S | S | . | . | trans | -58.4 | 107.3 | 177.8 | 23.3 | -30.9 | 0 | 0 | 0 | 107.8 | A300 L473 | A300-P471 HydrophobicContact CB-CB 4.18Å; A300-P471 HydrophobicContact CB-CG 3.56Å; P471-L473 PolarHBondContact O-N 2.63Å | ||
| 472 | T | 47.8 | Very low | 53.6 | Low | 62.5 Ų | 62.5 | 77.6 Ų | 77.6 | 38% | 0.383 | 43% | 0.427 | S | S | . | . | trans | -62.4 | 132.7 | 178.6 | 49.9 | 0 | 0 | 0 | 0 | 108 | W290 P470 F474 N475 V494 | W290-T472 HydrophobicContact CZ3-CG2 4.09Å; P470-T472 VanDerWaalsContact C-N 3.31Å; P470-T472 PolarHBondContact O-N 2.91Å; T472-F474 PolarHBondContact O-N 3.08Å; T472-N475 PolarHBondContact O-N 2.94Å; T472-N475 PolarHBondContact OG1-ND2 3.34Å; T472-N475 PolarHBondContact OG1-OD1 3.27Å; T472-N475 VanDerWaalsContact OG1-OD1 3.06Å; T472-V494 HydrophobicContact CG2-CG1 4.39Å; T472-V494 WeakPolarHBondContact OG1-CG2 3.36Å | ||
| 473 | L | 44.4 | Very low | 51.8 | Low | 77 Ų | 77 | 83.5 Ų | 83.5 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -57.2 | -8.5 | 179.9 | -92.7 | 142.9 | 0 | 0 | 0 | 114.6 | A303 Q304 P471 | A303-L473 HydrophobicContact CB-CD2 3.56Å; A303-L473 HydrophobicContact CB-CG 3.88Å; A303-L473 WeakPolarHBondContact O-CD2 3.47Å; Q304-L473 VanDerWaalsContact C-CD2 3.46Å; Q304-L473 WeakPolarHBondContact O-CD2 3.44Å; P471-L473 PolarHBondContact O-N 2.63Å |
| 474 | F | 45.9 | Very low | 50.6 | Low | 70 Ų | 70 | 85.6 Ų | 85.6 | 31% | 0.307 | 47% | 0.47 | S | S | . | . | trans | -126.2 | 55.6 | -166.4 | -55.8 | -72.1 | 0 | 0 | 0 | 113 | P306 L418 Q421 T472 S476 | P306-F474 HydrophobicContact CG-CE1 4.48Å; L418-F474 HydrophobicContact CD1-CD1 4.49Å; L418-F474 HydrophobicContact CD1-CE1 4.11Å; Q421-F474 HydrophobicContact CG-CD2 4.36Å; Q421-F474 HydrophobicContact CG-CE2 4.49Å; T472-F474 PolarHBondContact O-N 3.08Å; F474-S476 PolarHBondContact O-N 3.15Å | ||
| 475 | N | 38.3 | Very low | 49.2 | Very low | 126.5 Ų | 126.5 | 92.4 Ų | 92.4 | 68% | 0.676 | 51% | 0.507 | S | S | * | . | trans | -72.4 | 63.2 | 162.4 | -72.8 | -9.1 | 0 | 0 | 0 | 110 | T472 | T472-N475 PolarHBondContact O-N 2.94Å; T472-N475 PolarHBondContact OG1-ND2 3.34Å; T472-N475 PolarHBondContact OG1-OD1 3.27Å; T472-N475 VanDerWaalsContact OG1-OD1 3.06Å | ||
| 476 | S | 37.6 | Very low | 47.5 | Very low | 61.5 Ų | 61.5 | 92.2 Ų | 92.2 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -68.3 | 128.2 | 173.2 | -112.9 | 0 | 0 | 0 | 0 | 108.8 | F474 I478 | F474-S476 PolarHBondContact O-N 3.15Å; S476-I478 PolarHBondContact O-N 2.86Å; S476-I478 VanDerWaalsContact O-N 3.08Å; S476-I478 WeakPolarHBondContact OG-CG1 3.23Å |
| 477 | P | 37.2 | Very low | 45.5 | Very low | 82 Ų | 82 | 92.6 Ų | 92.6 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -60.1 | 59 | 174.8 | 3.8 | -0.8 | 0 | 0 | 0 | 110.1 | E479 A480 | P477-E479 PolarHBondContact O-N 3.18Å; P477-A480 WeakPolarHBondContact O-CB 3.34Å; P477-A480 PolarHBondContact O-N 3.23Å |
| 478 | I | 42.5 | Very low | 43.6 | Very low | 90.5 Ų | 90.5 | 94.1 Ų | 94.1 | 46% | 0.464 | 54% | 0.544 | S | S | . | . | trans | -54.4 | 50.5 | 177.9 | -64.4 | 172.8 | 0 | 0 | 0 | 107.9 | F247 L418 S476 A480 | F247-I478 HydrophobicContact CE1-CD1 4.32Å; F247-I478 HydrophobicContact CZ-CD1 4.24Å; F247-I478 HydrophobicContact CZ-CG2 4.43Å; L418-I478 HydrophobicContact CD1-CD1 3.97Å; L418-I478 HydrophobicContact CG-CD1 4.15Å; S476-I478 PolarHBondContact O-N 2.86Å; S476-I478 VanDerWaalsContact O-N 3.08Å; S476-I478 WeakPolarHBondContact OG-CG1 3.23Å; I478-A480 VanDerWaalsContact C-N 3.35Å; I478-A480 WeakPolarHBondContact O-CA 3.45Å; I478-A480 PolarHBondContact O-N 2.78Å | ||
| 479 | E | 37.2 | Very low | 42 | Very low | 134.5 Ų | 134.5 | 93 Ų | 93 | 63% | 0.629 | 55% | 0.546 | S | S | * | . | trans | -70.3 | 56.3 | 174.7 | -73.6 | -172.7 | 159 | 0 | 0 | 111.2 | P477 M481 A489 L492 | P477-E479 PolarHBondContact O-N 3.18Å; E479-M481 PolarHBondContact O-N 2.88Å; E479-A489 WeakPolarHBondContact OE2-CB 3.37Å; E479-L492 HydrophobicContact CG-CD1 4.1Å | ||
| 480 | A | 36.3 | Very low | 40.7 | Very low | 52 Ų | 52 | 97.5 Ų | 97.5 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | trans | -56.6 | 65 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P477 I478 N482 V488 | P477-A480 WeakPolarHBondContact O-CB 3.34Å; P477-A480 PolarHBondContact O-N 3.23Å; I478-A480 VanDerWaalsContact C-N 3.35Å; I478-A480 WeakPolarHBondContact O-CA 3.45Å; I478-A480 PolarHBondContact O-N 2.78Å; A480-N482 VanDerWaalsContact C-N 3.31Å; A480-N482 PolarHBondContact O-N 3.36Å; A480-N482 VanDerWaalsContact O-N 3.09Å; A480-V488 HydrophobicContact CB-CG1 4.1Å | ||
| 481 | M | 36.8 | Very low | 39.5 | Very low | 167.5 Ų | 167.5 | 102.1 Ų | 102.1 | 83% | 0.825 | 58% | 0.583 | S | S | * | * | trans | -60.8 | 92.2 | 162.5 | -122 | 142.2 | 157.4 | 0 | 0 | 108.2 | E479 K483 | E479-M481 PolarHBondContact O-N 2.88Å; M481-K483 PolarHBondContact O-N 2.78Å | ||
| 482 | N | 35.2 | Very low | 38.8 | Very low | 137 Ų | 137 | 105.2 Ų | 105.2 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | trans | -43.9 | 105.1 | 171.7 | -70.4 | -39.7 | 0 | 0 | 0 | 108.6 | A480 | A480-N482 VanDerWaalsContact C-N 3.31Å; A480-N482 PolarHBondContact O-N 3.36Å; A480-N482 VanDerWaalsContact O-N 3.09Å | ||
| 483 | K | 37.6 | Very low | 38.4 | Very low | 144 Ų | 144 | 107.4 Ų | 107.4 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | trans | -60.1 | 135.4 | 149.8 | -75.7 | -178.5 | 179.6 | 170.9 | 0 | 106.1 | M481 D485 G486 | M481-K483 PolarHBondContact O-N 2.78Å; K483-D485 PolarHBondContact O-N 3.33Å; K483-G486 PolarHBondContact O-N 3.21Å | ||
| 484 | P | 46.7 | Very low | 38.4 | Very low | 133.5 Ų | 133.5 | 107.3 Ų | 107.3 | 87% | 0.867 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -9.5 | -173.4 | 18.9 | -30.3 | 0 | 0 | 0 | 115 | ||
| 485 | D | 43.8 | Very low | 38.4 | Very low | 145.5 Ų | 145.5 | 105.7 Ų | 105.7 | 78% | 0.778 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 4.4 | -178.1 | -73 | -21.9 | 0 | 0 | 0 | 115.3 | K483 S487 | K483-D485 PolarHBondContact O-N 3.33Å; D485-S487 VanDerWaalsContact C-N 3.31Å; D485-S487 PolarHBondContact O-N 3.32Å |
| 486 | G | 36.4 | Very low | 39.2 | Very low | 66 Ų | 66 | 102 Ų | 102 | 68% | 0.68 | 59% | 0.593 | S | S | * | * | trans | 69.7 | 8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | K483 V488 | K483-G486 PolarHBondContact O-N 3.21Å; G486-V488 PolarHBondContact O-N 2.83Å | ||
| 487 | S | 32 | Very low | 40.3 | Very low | 83.5 Ų | 83.5 | 103.8 Ų | 103.8 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | trans | -81.7 | 118.1 | 171.4 | 64 | 0 | 0 | 0 | 0 | 110.6 | D485 A489 | D485-S487 VanDerWaalsContact C-N 3.31Å; D485-S487 PolarHBondContact O-N 3.32Å; S487-A489 PolarHBondContact O-N 3.03Å | ||
| 488 | V | 33.7 | Very low | 41.6 | Very low | 114.5 Ų | 114.5 | 105.7 Ų | 105.7 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | trans | -64.6 | 117.5 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | A480 G486 E490 | A480-V488 HydrophobicContact CB-CG1 4.1Å; G486-V488 PolarHBondContact O-N 2.83Å; V488-E490 VanDerWaalsContact C-N 3.29Å; V488-E490 PolarHBondContact O-N 2.85Å | ||
| 489 | A | 35.5 | Very low | 43.1 | Very low | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | trans | -74.7 | 100.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108 | E479 S487 N491 | E479-A489 WeakPolarHBondContact OE2-CB 3.37Å; S487-A489 PolarHBondContact O-N 3.03Å; A489-N491 PolarHBondContact O-N 3Å | ||
| 490 | E | 36.4 | Very low | 45.2 | Very low | 166.5 Ų | 166.5 | 100.3 Ų | 100.3 | 78% | 0.778 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 2.8 | -179.1 | -75.6 | -175.8 | 150 | 0 | 0 | 114.7 | V488 V493 | V488-E490 VanDerWaalsContact C-N 3.29Å; V488-E490 PolarHBondContact O-N 2.85Å; E490-V493 VanDerWaalsContact O-CG2 3.24Å; E490-V493 WeakPolarHBondContact O-CG2 3.26Å |
| 491 | N | 34.3 | Very low | 47.6 | Very low | 131 Ų | 131 | 98 Ų | 98 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 37.5 | -163.8 | -66.6 | -12.4 | 0 | 0 | 0 | 115 | A489 V493 | A489-N491 PolarHBondContact O-N 3Å; N491-V493 VanDerWaalsContact C-N 3.25Å; N491-V493 PolarHBondContact O-N 2.96Å |
| 492 | L | 38.5 | Very low | 50 | Low | 116.5 Ų | 116.5 | 94 Ų | 94 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | trans | -116.3 | 61.3 | 164.9 | -75.9 | 163.9 | 0 | 0 | 0 | 109.4 | E479 F626 | E479-L492 HydrophobicContact CG-CD1 4.1Å; L492-F626 HydrophobicContact CD2-CZ 4.45Å | ||
| 493 | V | 40.5 | Very low | 52.5 | Low | 108 Ų | 108 | 87.5 Ų | 87.5 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | trans | -73.8 | 136.6 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | E490 N491 | E490-V493 VanDerWaalsContact O-CG2 3.24Å; E490-V493 WeakPolarHBondContact O-CG2 3.26Å; N491-V493 VanDerWaalsContact C-N 3.25Å; N491-V493 PolarHBondContact O-N 2.96Å | ||
| 494 | V | 43.9 | Very low | 54.9 | Low | 75.5 Ų | 75.5 | 81.4 Ų | 81.4 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | trans | -39.5 | 125.8 | 165.5 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | T472 S496 | T472-V494 HydrophobicContact CG2-CG1 4.39Å; T472-V494 WeakPolarHBondContact OG1-CG2 3.36Å; V494-S496 PolarHBondContact O-N 2.85Å | ||
| 495 | P | 47 | Very low | 56.8 | Low | 36.5 Ų | 36.5 | 75.4 Ų | 75.4 | 24% | 0.237 | 44% | 0.437 | C | S | . | . | trans | -54.4 | 118.3 | -172.2 | 20.4 | -31.9 | 0 | 0 | 0 | 109.1 | I424 E499 F623 | I424-P495 HydrophobicContact CG2-CG 4.15Å; P495-E499 WeakPolarHBondContact CA-OE2 3.28Å; P495-E499 VanDerWaalsContact CB-OE2 3.23Å; P495-E499 WeakPolarHBondContact CB-OE2 3.01Å; P495-F623 HydrophobicContact CB-CD2 3.94Å; P495-F623 HydrophobicContact CB-CE2 3.71Å; P495-F623 HydrophobicContact CB-CZ 4.07Å; P495-F623 HydrophobicContact CG-CD2 4.5Å; P495-F623 HydrophobicContact CG-CE2 3.81Å | ||
| 496 | S | 54 | Low | 59 | Low | 49.5 Ų | 49.5 | 70.6 Ų | 70.6 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | trans | -64 | 145 | 168.4 | 70.8 | 0 | 0 | 0 | 0 | 107.2 | V494 E498 E499 | V494-S496 PolarHBondContact O-N 2.85Å; S496-E498 PolarHBondContact O-N 3.24Å; S496-E498 WeakPolarHBondContact OG-CB 3.4Å; S496-E498 PolarHBondContact OG-N 2.76Å; S496-E499 PolarHBondContact N-OE2 3.37Å; S496-E499 VanDerWaalsContact N-OE2 3.09Å; S496-E499 PolarHBondContact O-N 3.12Å; S496-E499 WeakPolarHBondContact OG-CG 3.23Å; S496-E499 PolarHBondContact OG-OE2 3.4Å | ||
| 497 | S | 60.2 | Low | 61.4 | Low | 99.5 Ų | 99.5 | 67.5 Ų | 67.5 | 70% | 0.696 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -16.4 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||
| 498 | E | 64.9 | Low | 64.1 | Low | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.9 | 177.7 | -53.4 | -169.2 | 173 | 0 | 0 | 114.3 | S496 K616 | S496-E498 PolarHBondContact O-N 3.24Å; S496-E498 WeakPolarHBondContact OG-CB 3.4Å; S496-E498 PolarHBondContact OG-N 2.76Å; E498-K616 IonicContact OE1-NZ 2.72Å; E498-K616 IonicContact OE2-NZ 3.49Å; E498-K616 PolarHBondContact OE2-NZ 3.07Å |
| 499 | E | 73.3 | Confident | 66.6 | Low | 44 Ų | 44 | 59.8 Ų | 59.8 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -15.3 | -178.5 | -69.1 | 166.1 | 163 | 0 | 0 | 113.2 | P495 S496 F623 | P495-E499 WeakPolarHBondContact CA-OE2 3.28Å; P495-E499 VanDerWaalsContact CB-OE2 3.23Å; P495-E499 WeakPolarHBondContact CB-OE2 3.01Å; S496-E499 PolarHBondContact N-OE2 3.37Å; S496-E499 VanDerWaalsContact N-OE2 3.09Å; S496-E499 PolarHBondContact O-N 3.12Å; S496-E499 WeakPolarHBondContact OG-CG 3.23Å; S496-E499 PolarHBondContact OG-OE2 3.4Å; E499-F623 HydrophobicContact CB-CB 4.32Å; E499-F623 HydrophobicContact CB-CD1 4.05Å; E499-F623 HydrophobicContact CB-CG 4.09Å; E499-F623 WeakPolarHBondContact O-CD1 3.3Å |
| 500 | R | 81.5 | Confident | 69.1 | Low | 68.5 Ų | 68.5 | 58.4 Ų | 58.4 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -71.8 | 144.5 | -179.7 | -58.7 | -177.6 | -172.2 | -176.9 | -1.1 | 111 | E425 F502 S535 F623 | E425-R500 WeakPolarHBondContact O-CD 3.42Å; E425-R500 PolarHBondContact O-NE 3.3Å; E425-R500 IonicContact OE1-NH1 3.9Å; E425-R500 IonicContact OE2-CZ 3.11Å; E425-R500 IonicContact OE2-NH1 3.09Å; E425-R500 PolarHBondContact OE2-NH1 3.2Å; R500-F502 PolarHBondContact O-N 2.98Å; R500-S535 PolarHBondContact O-OG 3.05Å; R500-S535 VanDerWaalsContact O-OG 3.07Å; R500-F623 HydrophobicContact CG-CE1 4.41Å |
| 501 | Y | 86.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.6 | 171.6 | -177.5 | -107.3 | 0 | 0 | 0 | 109.7 | Y426 A427 W428 M429 L503 C534 S535 L634 F636 G650 T655 | Y426-Y501 PolarHBondContact O-N 3.13Å; A427-Y501 CarbonylContact C-O 3.56Å; A427-Y501 VanDerWaalsContact CA-O 3.3Å; A427-Y501 WeakPolarHBondContact CA-O 3.42Å; A427-Y501 HydrophobicContact CB-CD1 4.33Å; W428-Y501 PolarHBondContact N-O 3.28Å; M429-Y501 HydrophobicContact CG-CD1 4.4Å; M429-Y501 HydrophobicContact CG-CE1 4.2Å; M429-Y501 HydrophobicContact SD-CD1 4.46Å; M429-Y501 HydrophobicContact SD-CE1 4.08Å; Y501-L503 HydrophobicContact CE1-CB 3.96Å; Y501-C534 HydrophobicContact CE2-CB 4.4Å; Y501-S535 WeakPolarHBondContact CA-OG 3.46Å; Y501-L634 HydrophobicContact CD1-CD1 4.45Å; Y501-L634 HydrophobicContact CD1-CD2 3.92Å; Y501-L634 HydrophobicContact CE1-CD2 4.24Å; Y501-L634 HydrophobicContact CG-CD1 4.38Å; Y501-F636 HydrophobicContact CD1-CZ 4.37Å; Y501-F636 HydrophobicContact CD2-CE2 4.36Å; Y501-F636 AromaticContact CD2-CZ 3.84Å; Y501-F636 HydrophobicContact CD2-CZ 3.84Å; Y501-F636 HydrophobicContact CE1-CE1 4.41Å; Y501-F636 HydrophobicContact CE1-CZ 4.22Å; Y501-F636 HydrophobicContact CE2-CE1 4.35Å; Y501-F636 HydrophobicContact CE2-CE2 4.2Å; Y501-F636 AromaticContact CE2-CZ 3.52Å; Y501-F636 HydrophobicContact CE2-CZ 3.52Å; Y501-F636 HydrophobicContact CG-CZ 4.32Å; Y501-F636 AromaticContact CZ-CZ 3.73Å; Y501-G650 WeakPolarHBondContact OH-CA 3.4Å; Y501-G650 PolarHBondContact OH-N 2.79Å; Y501-G650 VanDerWaalsContact OH-N 3.13Å; Y501-T655 HydrophobicContact CE1-CG2 4.29Å |
| 502 | F | 87.4 | Confident | 74.4 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 37% | 0.368 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.8 | 177.2 | 179.6 | -96.3 | 0 | 0 | 0 | 109.3 | W428 M430 R500 A504 C534 S535 | W428-F502 HydrophobicContact CB-CD2 4.26Å; W428-F502 AromaticContact CD1-CD2 3.76Å; W428-F502 AromaticContact CD1-CE2 3.64Å; W428-F502 VanDerWaalsContact CD1-CE2 3.46Å; W428-F502 HydrophobicContact CG-CD2 4.32Å; W428-F502 HydrophobicContact CG-CE2 4.35Å; W428-F502 AromaticContact NE1-CE2 3.98Å; W428-F502 CarbonylContact O-C 3.48Å; W428-F502 VanDerWaalsContact O-CA 3.32Å; W428-F502 WeakPolarHBondContact O-CA 3.21Å; M430-F502 HydrophobicContact SD-CE2 4.07Å; M430-F502 HydrophobicContact SD-CZ 4.01Å; R500-F502 PolarHBondContact O-N 2.98Å; F502-A504 HydrophobicContact CE1-CB 3.69Å; F502-A504 HydrophobicContact CZ-CB 3.8Å; F502-C534 CarbonylContact O-C 3.57Å; F502-C534 WeakPolarHBondContact O-CA 3.3Å; F502-C534 WeakPolarHBondContact O-CB 3.31Å; F502-S535 PolarHBondContact N-OG 3.16Å; F502-S535 PolarHBondContact O-N 3.21Å |
| 503 | L | 87.2 | Confident | 76.9 | Confident | 1.5 Ų | 1.5 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 125.6 | 171.6 | 175.5 | 66.9 | 0 | 0 | 0 | 109.5 | W428 M429 M430 Y501 R505 S533 C534 C651 | W428-L503 PolarHBondContact O-N 2.91Å; M429-L503 CarbonylContact C-O 3.58Å; M429-L503 VanDerWaalsContact CA-O 3.3Å; M429-L503 WeakPolarHBondContact CA-O 3.25Å; M429-L503 HydrophobicContact CB-CB 4.23Å; M429-L503 HydrophobicContact CB-CD2 4.48Å; M429-L503 HydrophobicContact CG-CB 3.92Å; M429-L503 HydrophobicContact CG-CD2 4.38Å; M429-L503 HydrophobicContact SD-CD2 4.27Å; M430-L503 WeakPolarHBondContact CG-O 3.38Å; M430-L503 PolarHBondContact N-O 3.15Å; Y501-L503 HydrophobicContact CE1-CB 3.96Å; L503-R505 HydrophobicContact CD1-CG 4.22Å; L503-R505 HydrophobicContact CG-CG 4.39Å; L503-S533 CarbonylContact C-O 3.46Å; L503-S533 WeakPolarHBondContact CA-O 3.45Å; L503-C534 HydrophobicContact CB-CB 4.47Å; L503-C534 HydrophobicContact CD1-CB 3.75Å; L503-C651 HydrophobicContact CD1-CB 4.4Å |
| 504 | A | 88.4 | Confident | 79.2 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | M430 F502 S532 S533 | M430-A504 HydrophobicContact CG-CB 3.84Å; M430-A504 CarbonylContact O-C 3.49Å; M430-A504 WeakPolarHBondContact O-CA 3.42Å; M430-A504 HydrophobicContact SD-CB 4.32Å; F502-A504 HydrophobicContact CE1-CB 3.69Å; F502-A504 HydrophobicContact CZ-CB 3.8Å; A504-S532 CarbonylContact O-C 3.53Å; A504-S532 VanDerWaalsContact O-CA 3.23Å; A504-S532 WeakPolarHBondContact O-CA 3.38Å; A504-S533 PolarHBondContact N-O 3.23Å; A504-S533 PolarHBondContact O-N 3.16Å |
| 505 | R | 87.2 | Confident | 81.4 | Confident | 8.5 Ų | 8.5 | 35.2 Ų | 35.2 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.6 | 175.7 | -68.2 | 179.2 | 178.1 | 167.6 | -4.6 | 110.7 | M430 E431 F432 L503 F531 G650 C651 T655 F667 F672 | M430-R505 PolarHBondContact O-N 3.06Å; E431-R505 CarbonylContact C-O 3.41Å; E431-R505 VanDerWaalsContact CA-O 3.29Å; E431-R505 WeakPolarHBondContact CA-O 3.15Å; E431-R505 HydrophobicContact CB-CB 4.31Å; E431-R505 HydrophobicContact CG-CB 4.14Å; E431-R505 IonicContact OE1-NH1 3Å; F432-R505 PolarHBondContact N-O 3.27Å; L503-R505 HydrophobicContact CD1-CG 4.22Å; L503-R505 HydrophobicContact CG-CG 4.39Å; R505-F531 CarbonylContact C-O 3.55Å; R505-F531 VanDerWaalsContact CA-O 3.29Å; R505-F531 WeakPolarHBondContact CA-O 3.41Å; R505-G650 VanDerWaalsContact CZ-O 3.26Å; R505-G650 PolarHBondContact NE-O 2.96Å; R505-G650 VanDerWaalsContact NE-O 3.07Å; R505-G650 PolarHBondContact NH2-O 3.35Å; R505-C651 VanDerWaalsContact NH2-C 3.27Å; R505-C651 PolarHBondContact NH2-O 2.76Å; R505-T655 PolarHBondContact NH2-OG1 2.79Å; R505-T655 VanDerWaalsContact NH2-OG1 3.16Å; R505-F667 HydrophobicContact CB-CE1 4.06Å; R505-F667 HydrophobicContact CB-CZ 3.99Å; R505-F667 HydrophobicContact CG-CD1 4.43Å; R505-F667 HydrophobicContact CG-CE1 4.13Å; R505-F667 HydrophobicContact CG-CZ 4.27Å; R505-F672 HydrophobicContact CB-CE2 4.43Å; R505-F672 HydrophobicContact CB-CZ 4.24Å |
| 506 | V | 89.4 | Confident | 83.2 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 125 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 107 | F432 L434 R530 F531 | F432-V506 HydrophobicContact CB-CG1 4.33Å; F432-V506 HydrophobicContact CB-CG2 4.34Å; F432-V506 HydrophobicContact CD2-CG2 4.03Å; F432-V506 CarbonylContact O-C 3.53Å; F432-V506 WeakPolarHBondContact O-CA 3.29Å; L434-V506 HydrophobicContact CD1-CG1 3.65Å; V506-R530 CarbonylContact O-C 3.56Å; V506-R530 VanDerWaalsContact O-CA 3.29Å; V506-R530 WeakPolarHBondContact O-CA 3.32Å; V506-F531 HydrophobicContact CB-CB 4.32Å; V506-F531 HydrophobicContact CG2-CD1 4.4Å; V506-F531 PolarHBondContact N-O 3.22Å; V506-F531 PolarHBondContact O-N 3.23Å |
| 507 | S | 87.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.1 | 170.6 | 126.9 | 0 | 0 | 0 | 0 | 109.2 | F432 L433 L434 I529 | F432-S507 PolarHBondContact O-N 3.21Å; F432-S507 PolarHBondContact O-OG 3.37Å; L433-S507 WeakPolarHBondContact CD2-OG 3.34Å; L434-S507 WeakPolarHBondContact CB-O 3.35Å; L434-S507 WeakPolarHBondContact CD1-O 3.33Å; L434-S507 PolarHBondContact N-O 3.09Å; S507-I529 CarbonylContact C-O 3.51Å; S507-I529 VanDerWaalsContact CA-O 3.28Å; S507-I529 WeakPolarHBondContact CA-O 3.32Å |
| 508 | L | 89 | Confident | 85.3 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.9 | 170.6 | -130.1 | 107.8 | 0 | 0 | 0 | 106.6 | L434 G435 L437 V511 Y528 I529 | L434-L508 HydrophobicContact CB-CB 4.22Å; L434-L508 HydrophobicContact CB-CD1 3.39Å; L434-L508 HydrophobicContact CB-CD2 3.39Å; L434-L508 HydrophobicContact CB-CG 4.18Å; L434-L508 HydrophobicContact CD1-CD2 4.29Å; L434-L508 HydrophobicContact CD1-CG 4.23Å; L434-L508 HydrophobicContact CD2-CD1 4.31Å; L434-L508 HydrophobicContact CD2-CD2 3.83Å; L434-L508 HydrophobicContact CG-CD1 4.37Å; L434-L508 HydrophobicContact CG-CD2 4.02Å; L434-L508 HydrophobicContact CG-CG 4.47Å; L434-L508 WeakPolarHBondContact O-CA 3.32Å; G435-L508 VanDerWaalsContact O-CD1 3.3Å; G435-L508 WeakPolarHBondContact O-CD1 3.28Å; L437-L508 HydrophobicContact CB-CD1 4.23Å; L508-V511 HydrophobicContact CD2-CG2 3.26Å; L508-V511 HydrophobicContact CG-CG2 3.71Å; L508-Y528 CarbonylContact O-C 3.53Å; L508-Y528 VanDerWaalsContact O-CA 3.3Å; L508-Y528 WeakPolarHBondContact O-CA 3.19Å; L508-I529 HydrophobicContact CB-CB 4.2Å; L508-I529 HydrophobicContact CD1-CB 4.4Å; L508-I529 HydrophobicContact CD1-CD1 4.34Å; L508-I529 HydrophobicContact CD2-CD1 4.25Å; L508-I529 PolarHBondContact N-O 3.41Å; L508-I529 PolarHBondContact O-N 3.04Å |
| 509 | D | 85.2 | Confident | 86 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -77.8 | -176.9 | -75.9 | -11.4 | 0 | 0 | 0 | 110.8 | L434 G435 R527 Y528 S678 L679 W680 P682 L683 F684 | L434-D509 PolarHBondContact O-N 2.85Å; L434-D509 VanDerWaalsContact O-N 3.09Å; G435-D509 PolarHBondContact O-N 2.84Å; D509-R527 CarbonylContact C-O 3.58Å; D509-R527 CarbonylContact O-C 3.41Å; D509-Y528 WeakPolarHBondContact O-CA 3.32Å; D509-Y528 VanDerWaalsContact O-CD1 3.24Å; D509-Y528 WeakPolarHBondContact O-CD1 3.33Å; D509-Y528 PolarHBondContact O-N 2.86Å; D509-S678 VanDerWaalsContact OD2-CA 3.22Å; D509-S678 WeakPolarHBondContact OD2-CA 3.36Å; D509-S678 WeakPolarHBondContact OD2-CB 3.24Å; D509-L679 PolarHBondContact OD2-N 2.64Å; D509-W680 VanDerWaalsContact OD2-CB 3.27Å; D509-W680 WeakPolarHBondContact OD2-CB 3.47Å; D509-W680 PolarHBondContact OD2-N 3.15Å; D509-P682 WeakPolarHBondContact OD1-CA 3.4Å; D509-L683 PolarHBondContact OD1-N 2.74Å; D509-F684 WeakPolarHBondContact OD2-CB 3.43Å; D509-F684 PolarHBondContact OD2-N 3.34Å |
| 510 | V | 88.7 | Confident | 86.6 | Confident | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | trans | -113.7 | 133.7 | -178.4 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | E436 L437 D512 Y525 | E436-V510 CarbonylContact C-O 3.54Å; E436-V510 VanDerWaalsContact CA-O 3.31Å; E436-V510 WeakPolarHBondContact CA-O 3.21Å; E436-V510 HydrophobicContact CB-CB 4.15Å; E436-V510 HydrophobicContact CG-CB 3.99Å; E436-V510 HydrophobicContact CG-CG2 4.14Å; L437-V510 PolarHBondContact N-O 3.17Å; V510-D512 HydrophobicContact CG1-CB 4.38Å; V510-Y525 HydrophobicContact CG1-CE2 3.92Å | ||
| 511 | V | 91.1 | Very high | 87.1 | Confident | 9.5 Ų | 9.5 | 33.2 Ų | 33.2 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.8 | 165.3 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | L437 L508 I513 Y525 C526 I529 | L437-V511 HydrophobicContact CD2-CG1 4.48Å; L437-V511 WeakPolarHBondContact O-CA 3.43Å; L508-V511 HydrophobicContact CD2-CG2 3.26Å; L508-V511 HydrophobicContact CG-CG2 3.71Å; V511-I513 HydrophobicContact CG1-CD1 3.64Å; V511-I513 HydrophobicContact CG1-CG1 3.81Å; V511-Y525 CarbonylContact O-C 3.5Å; V511-Y525 VanDerWaalsContact O-CA 3.28Å; V511-Y525 WeakPolarHBondContact O-CA 3.41Å; V511-C526 HydrophobicContact CB-CB 4.1Å; V511-C526 HydrophobicContact CG2-CB 4.38Å; V511-C526 PolarHBondContact N-O 3.09Å; V511-C526 PolarHBondContact O-N 3.05Å; V511-I529 HydrophobicContact CG2-CD1 3.92Å; V511-I529 HydrophobicContact CG2-CG1 4.35Å |
| 512 | D | 91 | Very high | 87.3 | Confident | 26.5 Ų | 26.5 | 33.7 Ų | 33.7 | 14% | 0.142 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 87.4 | 177.8 | -170.8 | 18.2 | 0 | 0 | 0 | 109.3 | L437 R438 G439 V510 F514 L524 Y525 | L437-D512 PolarHBondContact O-N 2.94Å; R438-D512 VanDerWaalsContact CA-O 3.31Å; R438-D512 WeakPolarHBondContact CA-O 3.28Å; R438-D512 HydrophobicContact CG-CB 4.17Å; G439-D512 PolarHBondContact N-O 2.84Å; G439-D512 VanDerWaalsContact N-O 3.09Å; V510-D512 HydrophobicContact CG1-CB 4.38Å; D512-F514 WeakPolarHBondContact OD1-CZ 3.37Å; D512-L524 WeakPolarHBondContact CA-O 3.24Å; D512-Y525 HydrophobicContact CB-CD2 4.29Å |
| 513 | I | 90.5 | Very high | 87.6 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 15% | 0.154 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.7 | -172.9 | -59.3 | 174.7 | 0 | 0 | 0 | 110.1 | L399 L437 G439 I446 V511 L524 | L399-I513 HydrophobicContact CD2-CD1 4.48Å; L399-I513 HydrophobicContact CD2-CG1 4.21Å; L437-I513 HydrophobicContact CD2-CD1 3.92Å; L437-I513 HydrophobicContact CG-CD1 4.41Å; G439-I513 CarbonylContact O-C 3.56Å; G439-I513 WeakPolarHBondContact O-CA 3.44Å; I446-I513 HydrophobicContact CD1-CG2 4.23Å; V511-I513 HydrophobicContact CG1-CD1 3.64Å; V511-I513 HydrophobicContact CG1-CG1 3.81Å; I513-L524 PolarHBondContact N-O 3.13Å; I513-L524 PolarHBondContact O-N 3.08Å |
| 514 | F | 89.2 | Confident | 87.8 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121 | 173.8 | -53 | -69.7 | 0 | 0 | 0 | 111.3 | G439 G440 L441 D512 L516 T522 S523 K824 L826 | G439-F514 PolarHBondContact O-N 3.16Å; G440-F514 CarbonylContact C-O 3.54Å; G440-F514 VanDerWaalsContact CA-O 3.25Å; G440-F514 WeakPolarHBondContact CA-O 3.36Å; L441-F514 PolarHBondContact N-O 3.14Å; D512-F514 WeakPolarHBondContact OD1-CZ 3.37Å; F514-L516 HydrophobicContact CB-CD2 3.88Å; F514-L516 HydrophobicContact CB-CG 4.16Å; F514-L516 PolarHBondContact O-N 3.08Å; F514-T522 CarbonylContact C-O 3.49Å; F514-T522 WeakPolarHBondContact CA-O 3.38Å; F514-S523 VanDerWaalsContact CE1-OG 3.28Å; F514-S523 WeakPolarHBondContact CE1-OG 3.12Å; F514-K824 HydrophobicContact CD2-CB 4.2Å; F514-K824 HydrophobicContact CE2-CB 4.41Å; F514-K824 WeakPolarHBondContact CE2-O 3.28Å; F514-L826 HydrophobicContact CD1-CD1 3.57Å; F514-L826 HydrophobicContact CE1-CB 4.42Å; F514-L826 HydrophobicContact CE1-CD1 3.31Å; F514-L826 VanDerWaalsContact CE1-CD1 3.48Å; F514-L826 HydrophobicContact CE1-CG 4.35Å; F514-L826 HydrophobicContact CG-CD1 4.38Å; F514-L826 HydrophobicContact CZ-CD1 4.18Å |
| 515 | I | 89 | Confident | 88.1 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.205 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110.9 | 165.4 | -51.8 | 178.5 | 0 | 0 | 0 | 106.9 | L441 L443 I446 E517 V521 T522 | L441-I515 WeakPolarHBondContact O-CA 3.33Å; L443-I515 HydrophobicContact CB-CG2 3.86Å; L443-I515 HydrophobicContact CD1-CD1 4.38Å; L443-I515 HydrophobicContact CD1-CG2 3.96Å; L443-I515 HydrophobicContact CG-CG2 4.4Å; I446-I515 HydrophobicContact CD1-CB 4.29Å; I446-I515 HydrophobicContact CD1-CG1 3.72Å; I446-I515 HydrophobicContact CD1-CG2 4.4Å; I515-E517 HydrophobicContact CG2-CG 4.32Å; I515-V521 WeakPolarHBondContact O-CA 3.29Å; I515-T522 HydrophobicContact CD1-CG2 4.41Å; I515-T522 PolarHBondContact N-O 3.38Å; I515-T522 PolarHBondContact O-N 3.34Å |
| 516 | L | 85.5 | Confident | 88.3 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 102.3 | -172.9 | -60.7 | 175.2 | 0 | 0 | 0 | 110.8 | L441 P442 F514 V521 L802 K824 | L441-L516 PolarHBondContact O-N 3.12Å; P442-L516 WeakPolarHBondContact CA-O 3.4Å; F514-L516 HydrophobicContact CB-CD2 3.88Å; F514-L516 HydrophobicContact CB-CG 4.16Å; F514-L516 PolarHBondContact O-N 3.08Å; L516-V521 HydrophobicContact CD2-CG1 3.96Å; L516-V521 HydrophobicContact CD2-CG2 4.12Å; L516-L802 HydrophobicContact CD2-CD2 3.88Å; L516-K824 HydrophobicContact CD1-CD 3.62Å; L516-K824 VanDerWaalsContact CD1-CD 3.47Å |
| 517 | E | 83.2 | Confident | 88.2 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | trans | -113.8 | 162.9 | 174.8 | -69.3 | -61.7 | 150 | 0 | 0 | 111.4 | L443 I515 N519 V520 L889 Q892 | L443-E517 WeakPolarHBondContact CA-OE1 3.36Å; L443-E517 HydrophobicContact CB-CG 4.28Å; L443-E517 WeakPolarHBondContact CB-OE1 3.33Å; L443-E517 PolarHBondContact N-OE1 2.97Å; I515-E517 HydrophobicContact CG2-CG 4.32Å; E517-N519 VanDerWaalsContact C-N 3.28Å; E517-N519 PolarHBondContact O-N 2.82Å; E517-N519 VanDerWaalsContact O-N 3.16Å; E517-V520 CarbonylContact C-O 3.25Å; E517-V520 WeakPolarHBondContact CA-O 3.25Å; E517-V520 VanDerWaalsContact CB-O 3.26Å; E517-V520 WeakPolarHBondContact CB-O 3.37Å; E517-V520 PolarHBondContact N-O 3.46Å; E517-V520 PolarHBondContact O-N 3.06Å; E517-V520 VanDerWaalsContact O-O 3.12Å; E517-L889 HydrophobicContact CB-CD2 4.34Å; E517-L889 HydrophobicContact CG-CD2 3.89Å; E517-Q892 VanDerWaalsContact OE2-CD 3.26Å; E517-Q892 PolarHBondContact OE2-NE2 3.17Å; E517-Q892 PolarHBondContact OE2-OE1 3.22Å | ||
| 518 | R | 74.8 | Confident | 88.1 | Confident | 215.5 Ų | 215.5 | 39.3 Ų | 39.3 | 81% | 0.813 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -50.7 | -42.1 | -170.8 | -124.8 | -178.6 | -178.8 | 168.6 | 1.1 | 113.9 | ||
| 519 | N | 80.1 | Confident | 88.2 | Confident | 90.5 Ų | 90.5 | 40.2 Ų | 40.2 | 48% | 0.484 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -121.1 | -8 | -175.4 | -63.1 | -18.1 | 0 | 0 | 0 | 113.5 | E517 K559 | E517-N519 VanDerWaalsContact C-N 3.28Å; E517-N519 PolarHBondContact O-N 2.82Å; E517-N519 VanDerWaalsContact O-N 3.16Å; N519-K559 PolarHBondContact O-N 3.06Å |
| 520 | V | 87 | Confident | 88.3 | Confident | 2.5 Ų | 2.5 | 40 Ų | 40 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.7 | -173.8 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | E517 T556 F557 A885 L888 L889 | E517-V520 CarbonylContact C-O 3.25Å; E517-V520 WeakPolarHBondContact CA-O 3.25Å; E517-V520 VanDerWaalsContact CB-O 3.26Å; E517-V520 WeakPolarHBondContact CB-O 3.37Å; E517-V520 PolarHBondContact N-O 3.46Å; E517-V520 PolarHBondContact O-N 3.06Å; E517-V520 VanDerWaalsContact O-O 3.12Å; V520-T556 HydrophobicContact CG1-CG2 3.5Å; V520-T556 VanDerWaalsContact CG1-CG2 3.47Å; V520-F557 CarbonylContact C-O 3.54Å; V520-F557 VanDerWaalsContact CA-O 3.3Å; V520-F557 WeakPolarHBondContact CA-O 3.21Å; V520-A885 HydrophobicContact CG1-CB 4.2Å; V520-A885 HydrophobicContact CG2-CB 4.2Å; V520-L888 HydrophobicContact CG2-CB 4.27Å; V520-L888 HydrophobicContact CG2-CD1 3.96Å; V520-L889 HydrophobicContact CB-CD2 4.23Å; V520-L889 HydrophobicContact CB-CG 4.44Å; V520-L889 HydrophobicContact CG1-CD1 3.99Å; V520-L889 HydrophobicContact CG1-CD2 4.01Å; V520-L889 HydrophobicContact CG1-CG 3.97Å |
| 521 | V | 90.1 | Very high | 88.4 | Confident | 10.5 Ų | 10.5 | 42.8 Ų | 42.8 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.7 | 171 | 174.9 | 0 | 0 | 0 | 0 | 107.4 | I515 L516 T556 F557 L593 | I515-V521 WeakPolarHBondContact O-CA 3.29Å; L516-V521 HydrophobicContact CD2-CG1 3.96Å; L516-V521 HydrophobicContact CD2-CG2 4.12Å; V521-T556 CarbonylContact O-C 3.52Å; V521-F557 HydrophobicContact CB-CB 4.4Å; V521-F557 HydrophobicContact CB-CD2 4.48Å; V521-F557 HydrophobicContact CG1-CD2 4.4Å; V521-F557 PolarHBondContact N-O 2.92Å; V521-F557 WeakPolarHBondContact O-CD2 3.34Å; V521-F557 PolarHBondContact O-N 3Å; V521-L593 HydrophobicContact CB-CD1 4.38Å; V521-L593 HydrophobicContact CB-CD2 4.41Å; V521-L593 HydrophobicContact CG2-CD1 4.13Å; V521-L593 HydrophobicContact CG2-CD2 4.01Å |
| 522 | T | 91.9 | Very high | 88.2 | Confident | 12.5 Ų | 12.5 | 42.5 Ų | 42.5 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.5 | 172.2 | -59 | 0 | 0 | 0 | 0 | 109.3 | F514 I515 I554 A555 T556 L889 | F514-T522 CarbonylContact C-O 3.49Å; F514-T522 WeakPolarHBondContact CA-O 3.38Å; I515-T522 HydrophobicContact CD1-CG2 4.41Å; I515-T522 PolarHBondContact N-O 3.38Å; I515-T522 PolarHBondContact O-N 3.34Å; T522-I554 HydrophobicContact CG2-CG2 4.3Å; T522-A555 CarbonylContact C-O 3.57Å; T522-A555 WeakPolarHBondContact CA-O 3.46Å; T522-T556 PolarHBondContact OG1-OG1 3.15Å; T522-L889 WeakPolarHBondContact OG1-CD1 3.48Å |
| 523 | S | 92.7 | Very high | 88.1 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.5 | 173.9 | 122.7 | 0 | 0 | 0 | 0 | 109.9 | F514 I554 A555 | F514-S523 VanDerWaalsContact CE1-OG 3.28Å; F514-S523 WeakPolarHBondContact CE1-OG 3.12Å; S523-I554 WeakPolarHBondContact O-CA 3.27Å; S523-A555 PolarHBondContact N-O 2.94Å; S523-A555 PolarHBondContact O-N 2.94Å |
| 524 | L | 93.1 | Very high | 87.9 | Confident | 67.5 Ų | 67.5 | 41.5 Ų | 41.5 | 35% | 0.353 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 107.7 | 165.3 | 173.4 | 67.2 | 0 | 0 | 0 | 107.7 | D512 I513 I554 | D512-L524 WeakPolarHBondContact CA-O 3.24Å; I513-L524 PolarHBondContact N-O 3.13Å; I513-L524 PolarHBondContact O-N 3.08Å; L524-I554 HydrophobicContact CD1-CD1 4.26Å; L524-I554 HydrophobicContact CD1-CG1 3.73Å |
| 525 | Y | 93.6 | Very high | 87.6 | Confident | 70.5 Ų | 70.5 | 41.9 Ų | 41.9 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.8 | 171.8 | 178.2 | -98.2 | 0 | 0 | 0 | 109.6 | V510 V511 D512 R527 V552 T553 | V510-Y525 HydrophobicContact CG1-CE2 3.92Å; V511-Y525 CarbonylContact O-C 3.5Å; V511-Y525 VanDerWaalsContact O-CA 3.28Å; V511-Y525 WeakPolarHBondContact O-CA 3.41Å; D512-Y525 HydrophobicContact CB-CD2 4.29Å; Y525-R527 HydrophobicContact CE1-CB 4.03Å; Y525-V552 CarbonylContact O-C 3.58Å; Y525-V552 WeakPolarHBondContact O-CA 3.33Å; Y525-T553 PolarHBondContact N-O 3.07Å; Y525-T553 PolarHBondContact O-N 2.97Å |
| 526 | C | 91.9 | Very high | 87 | Confident | 5.5 Ų | 5.5 | 40 Ų | 40 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124.9 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | V511 Y528 I529 V549 D551 | V511-C526 HydrophobicContact CB-CB 4.1Å; V511-C526 HydrophobicContact CG2-CB 4.38Å; V511-C526 PolarHBondContact N-O 3.09Å; V511-C526 PolarHBondContact O-N 3.05Å; C526-Y528 PolarHBondContact SG-O 2.78Å; C526-I529 HydrophobicContact CB-CD1 4.32Å; C526-I529 HydrophobicContact CB-CG1 4.45Å; C526-I529 VanDerWaalsContact SG-CG1 3.55Å; C526-I529 WeakPolarHBondContact SG-CG1 3.39Å; C526-V549 WeakPolarHBondContact SG-CG1 3.23Å; C526-D551 CarbonylContact C-O 3.55Å; C526-D551 VanDerWaalsContact CA-O 3.28Å; C526-D551 WeakPolarHBondContact CA-O 3.35Å |
| 527 | R | 87.6 | Confident | 86.5 | Confident | 102.5 Ų | 102.5 | 39 Ų | 39 | 39% | 0.387 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -82.8 | 39.4 | 179.1 | -167.1 | -174.4 | 173 | 129.7 | -3.7 | 111.5 | D509 Y525 G550 D551 D676 | D509-R527 CarbonylContact C-O 3.58Å; D509-R527 CarbonylContact O-C 3.41Å; Y525-R527 HydrophobicContact CE1-CB 4.03Å; R527-G550 CarbonylContact O-C 3.57Å; R527-G550 WeakPolarHBondContact O-CA 3.38Å; R527-G550 PolarHBondContact O-N 2.61Å; R527-D551 HydrophobicContact CB-CB 4.13Å; R527-D551 PolarHBondContact N-O 3.11Å; R527-D551 PolarHBondContact O-N 2.71Å; R527-D676 PolarHBondContact NE-O 2.92Å; R527-D676 PolarHBondContact NH2-O 3.13Å |
| 528 | Y | 85.4 | Confident | 85.8 | Confident | 13.5 Ų | 13.5 | 39.2 Ų | 39.2 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | trans | 130.2 | 130.9 | 178.4 | 5.4 | -84.6 | 0 | 0 | 0 | 112.9 | L508 D509 C526 R530 L548 V549 G550 D676 W680 | L508-Y528 CarbonylContact O-C 3.53Å; L508-Y528 VanDerWaalsContact O-CA 3.3Å; L508-Y528 WeakPolarHBondContact O-CA 3.19Å; D509-Y528 WeakPolarHBondContact O-CA 3.32Å; D509-Y528 VanDerWaalsContact O-CD1 3.24Å; D509-Y528 WeakPolarHBondContact O-CD1 3.33Å; D509-Y528 PolarHBondContact O-N 2.86Å; C526-Y528 PolarHBondContact SG-O 2.78Å; Y528-R530 HydrophobicContact CD2-CG 4.3Å; Y528-L548 HydrophobicContact CE2-CD2 3.7Å; Y528-L548 HydrophobicContact CE2-CG 3.94Å; Y528-V549 CarbonylContact O-C 3.58Å; Y528-V549 WeakPolarHBondContact O-CA 3.48Å; Y528-G550 VanDerWaalsContact CE2-CA 3.41Å; Y528-G550 PolarHBondContact O-N 3.42Å; Y528-D676 PolarHBondContact OH-OD1 3.24Å; Y528-W680 HydrophobicContact CE2-CB 4.38Å | ||
| 529 | I | 90.2 | Very high | 85.5 | Confident | 48.5 Ų | 48.5 | 29.9 Ų | 29.9 | 25% | 0.249 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.3 | 168.4 | -52.2 | 179.5 | 0 | 0 | 0 | 107 | S507 L508 V511 C526 L547 V549 | S507-I529 CarbonylContact C-O 3.51Å; S507-I529 VanDerWaalsContact CA-O 3.28Å; S507-I529 WeakPolarHBondContact CA-O 3.32Å; L508-I529 HydrophobicContact CB-CB 4.2Å; L508-I529 HydrophobicContact CD1-CB 4.4Å; L508-I529 HydrophobicContact CD1-CD1 4.34Å; L508-I529 HydrophobicContact CD2-CD1 4.25Å; L508-I529 PolarHBondContact N-O 3.41Å; L508-I529 PolarHBondContact O-N 3.04Å; V511-I529 HydrophobicContact CG2-CD1 3.92Å; V511-I529 HydrophobicContact CG2-CG1 4.35Å; C526-I529 HydrophobicContact CB-CD1 4.32Å; C526-I529 HydrophobicContact CB-CG1 4.45Å; C526-I529 VanDerWaalsContact SG-CG1 3.55Å; C526-I529 WeakPolarHBondContact SG-CG1 3.39Å; I529-L547 HydrophobicContact CG2-CD1 3.7Å; I529-V549 HydrophobicContact CG1-CG1 4.38Å |
| 530 | R | 87.8 | Confident | 85.1 | Confident | 2.5 Ų | 2.5 | 26.8 Ų | 26.8 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.2 | 178.5 | -64.9 | -172.9 | -174.4 | 129.9 | 5.5 | 109.6 | V506 Y528 L547 L548 A666 F667 F672 D675 G677 | V506-R530 CarbonylContact O-C 3.56Å; V506-R530 VanDerWaalsContact O-CA 3.29Å; V506-R530 WeakPolarHBondContact O-CA 3.32Å; Y528-R530 HydrophobicContact CD2-CG 4.3Å; R530-L547 CarbonylContact O-C 3.49Å; R530-L547 WeakPolarHBondContact O-CA 3.23Å; R530-L548 HydrophobicContact CB-CB 4.27Å; R530-L548 PolarHBondContact N-O 3.06Å; R530-L548 PolarHBondContact O-N 3.02Å; R530-A666 WeakPolarHBondContact CD-O 3.39Å; R530-A666 PolarHBondContact NE-O 3.48Å; R530-A666 PolarHBondContact NH1-O 2.87Å; R530-F667 HydrophobicContact CB-CD1 3.94Å; R530-F667 HydrophobicContact CB-CE1 3.81Å; R530-F667 HydrophobicContact CG-CE1 4.25Å; R530-F672 HydrophobicContact CB-CE1 3.74Å; R530-F672 HydrophobicContact CB-CZ 3.68Å; R530-F672 WeakPolarHBondContact CD-O 3.44Å; R530-F672 HydrophobicContact CG-CE1 4.33Å; R530-F672 HydrophobicContact CG-CE2 4.35Å; R530-F672 HydrophobicContact CG-CZ 3.95Å; R530-F672 PolarHBondContact NH1-O 3.5Å; R530-D675 VanDerWaalsContact CZ-O 3.24Å; R530-D675 PolarHBondContact NH1-O 3.3Å; R530-D675 PolarHBondContact NH2-O 3.06Å; R530-G677 PolarHBondContact NH2-O 2.62Å |
| 531 | F | 90.2 | Very high | 84.2 | Confident | 74.5 Ų | 74.5 | 27.7 Ų | 27.7 | 33% | 0.327 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.7 | 175.1 | 175.3 | -99.4 | 0 | 0 | 0 | 109.4 | R505 V506 C545 T546 L547 | R505-F531 CarbonylContact C-O 3.55Å; R505-F531 VanDerWaalsContact CA-O 3.29Å; R505-F531 WeakPolarHBondContact CA-O 3.41Å; V506-F531 HydrophobicContact CB-CB 4.32Å; V506-F531 HydrophobicContact CG2-CD1 4.4Å; V506-F531 PolarHBondContact N-O 3.22Å; V506-F531 PolarHBondContact O-N 3.23Å; F531-C545 HydrophobicContact CE2-CB 3.74Å; F531-C545 HydrophobicContact CZ-CB 3.89Å; F531-T546 CarbonylContact C-O 3.57Å; F531-T546 WeakPolarHBondContact CA-O 3.33Å; F531-L547 HydrophobicContact CB-CD1 4.16Å; F531-L547 HydrophobicContact CD2-CB 4.3Å; F531-L547 HydrophobicContact CD2-CD1 4.49Å |
| 532 | S | 88 | Confident | 83.4 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137 | 172.9 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | A504 C545 T546 C651 | A504-S532 CarbonylContact O-C 3.53Å; A504-S532 VanDerWaalsContact O-CA 3.23Å; A504-S532 WeakPolarHBondContact O-CA 3.38Å; S532-C545 CarbonylContact O-C 3.55Å; S532-C545 WeakPolarHBondContact O-CA 3.34Å; S532-C545 VanDerWaalsContact O-CB 3.27Å; S532-C545 WeakPolarHBondContact O-CB 3.4Å; S532-T546 PolarHBondContact N-O 3.2Å; S532-T546 PolarHBondContact O-N 3.13Å; S532-T546 PolarHBondContact OG-O 3.43Å; S532-C651 WeakPolarHBondContact OG-CB 3.19Å; S532-C651 PolarHBondContact OG-SG 2.97Å; S532-C651 VanDerWaalsContact OG-SG 3.35Å |
| 533 | S | 88.5 | Confident | 82.8 | Confident | 34.5 Ų | 34.5 | 32.8 Ų | 32.8 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.2 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | L503 A504 G544 | L503-S533 CarbonylContact C-O 3.46Å; L503-S533 WeakPolarHBondContact CA-O 3.45Å; A504-S533 PolarHBondContact N-O 3.23Å; A504-S533 PolarHBondContact O-N 3.16Å; S533-G544 WeakPolarHBondContact CA-O 3.38Å |
| 534 | C | 86.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155.3 | 177 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | Y501 F502 L503 G536 H537 N543 G544 C649 C651 | Y501-C534 HydrophobicContact CE2-CB 4.4Å; F502-C534 CarbonylContact O-C 3.57Å; F502-C534 WeakPolarHBondContact O-CA 3.3Å; F502-C534 WeakPolarHBondContact O-CB 3.31Å; L503-C534 HydrophobicContact CB-CB 4.47Å; L503-C534 HydrophobicContact CD1-CB 3.75Å; C534-G536 VanDerWaalsContact C-N 3.32Å; C534-G536 PolarHBondContact O-N 2.97Å; C534-H537 VanDerWaalsContact SG-CA 3.56Å; C534-H537 PolarHBondContact SG-N 2.68Å; C534-H537 VanDerWaalsContact SG-N 3.36Å; C534-N543 WeakPolarHBondContact O-CA 2.97Å; C534-G544 PolarHBondContact N-O 2.75Å; C534-G544 PolarHBondContact O-N 3.19Å; C534-C649 PolarHBondContact SG-SG 2.79Å; C534-C651 WeakPolarHBondContact CB-SG 3.07Å; C534-C651 WeakPolarHBondContact SG-CB 3.38Å; C534-C651 CovalentContact SG-SG 2.08Å; C534-C651 PolarHBondContact SG-SG 2.94Å |
| 535 | S | 82.7 | Confident | 81.9 | Confident | 13.5 Ų | 13.5 | 30.9 Ų | 30.9 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.6 | 174.6 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | R500 Y501 F502 G541 R542 N543 | R500-S535 PolarHBondContact O-OG 3.05Å; R500-S535 VanDerWaalsContact O-OG 3.07Å; Y501-S535 WeakPolarHBondContact CA-OG 3.46Å; F502-S535 PolarHBondContact N-OG 3.16Å; F502-S535 PolarHBondContact O-N 3.21Å; S535-G541 CarbonylContact O-C 3.56Å; S535-G541 VanDerWaalsContact O-CA 3.28Å; S535-G541 WeakPolarHBondContact O-CA 3.16Å; S535-G541 PolarHBondContact O-N 3Å; S535-R542 CarbonylContact C-O 3.51Å; S535-R542 CarbonylContact O-C 3.51Å; S535-R542 PolarHBondContact O-N 2.81Å; S535-R542 VanDerWaalsContact O-N 3.08Å; S535-R542 VanDerWaalsContact O-O 3.12Å; S535-N543 VanDerWaalsContact CA-OD1 3.23Å; S535-N543 WeakPolarHBondContact CA-OD1 3.39Å; S535-N543 WeakPolarHBondContact CB-OD1 3.43Å |
| 536 | G | 75.5 | Confident | 81.5 | Confident | 1.5 Ų | 1.5 | 27.7 Ų | 27.7 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -122 | 29.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C534 C538 G539 R542 C649 | C534-G536 VanDerWaalsContact C-N 3.32Å; C534-G536 PolarHBondContact O-N 2.97Å; G536-C538 PolarHBondContact O-N 2.95Å; G536-G539 CarbonylContact C-O 3.57Å; G536-G539 WeakPolarHBondContact CA-O 3.06Å; G536-G539 CarbonylContact O-C 3.48Å; G536-G539 PolarHBondContact O-N 3.13Å; G536-R542 CarbonylContact C-O 3.5Å; G536-R542 PolarHBondContact N-O 3.17Å; G536-C649 WeakPolarHBondContact O-CB 3.41Å |
| 537 | H | 75.6 | Confident | 81.4 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 114 | -170.8 | -160.8 | 86.3 | 0 | 0 | 0 | 111.6 | C534 G539 R542 T546 N609 C649 C651 | C534-H537 VanDerWaalsContact SG-CA 3.56Å; C534-H537 PolarHBondContact SG-N 2.68Å; C534-H537 VanDerWaalsContact SG-N 3.36Å; H537-G539 PolarHBondContact N-O 2.8Å; H537-G539 PolarHBondContact O-N 3Å; H537-G539 VanDerWaalsContact O-N 3.13Å; H537-R542 WeakPolarHBondContact CB-O 3.5Å; H537-R542 PolarHBondContact N-O 3.21Å; H537-R542 WeakPolarHBondContact O-CB 3.35Å; H537-T546 PolarHBondContact CE1-OG1 3.25Å; H537-N609 PolarHBondContact CD2-OD1 3.33Å; H537-N609 PolarHBondContact NE2-OD1 3.11Å; H537-C649 PolarHBondContact ND1-SG 2.81Å; H537-C651 PolarHBondContact ND1-SG 2.96Å; H537-C651 VanDerWaalsContact ND1-SG 3.42Å |
| 538 | C | 68.4 | Low | 81.4 | Confident | 35.5 Ų | 35.5 | 25.3 Ų | 25.3 | 24% | 0.24 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 28.7 | -173.1 | -61.4 | 0 | 0 | 0 | 0 | 113.8 | G536 | G536-C538 PolarHBondContact O-N 2.95Š|
| 539 | G | 69.7 | Low | 81.6 | Confident | 20.5 Ų | 20.5 | 25.5 Ų | 25.5 | 21% | 0.211 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 146 | 147.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G536 H537 G541 R542 | G536-G539 CarbonylContact C-O 3.57Å; G536-G539 WeakPolarHBondContact CA-O 3.06Å; G536-G539 CarbonylContact O-C 3.48Å; G536-G539 PolarHBondContact O-N 3.13Å; H537-G539 PolarHBondContact N-O 2.8Å; H537-G539 PolarHBondContact O-N 3Å; H537-G539 VanDerWaalsContact O-N 3.13Å; G539-G541 PolarHBondContact O-N 3.44Å; G539-R542 PolarHBondContact O-N 2.96Å |
| 540 | I | 71.5 | Confident | 81.5 | Confident | 25.5 Ų | 25.5 | 23.3 Ų | 23.3 | 13% | 0.131 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 134.5 | -176.4 | -59.3 | 168 | 0 | 0 | 0 | 110.9 | R542 S617 A620 L624 F636 V637 | I540-R542 VanDerWaalsContact C-N 3.32Å; I540-S617 WeakPolarHBondContact O-CA 3.35Å; I540-S617 WeakPolarHBondContact O-CB 3.27Å; I540-S617 PolarHBondContact O-OG 2.87Å; I540-A620 HydrophobicContact CG2-CB 4.07Å; I540-L624 HydrophobicContact CG2-CD1 3.95Å; I540-F636 HydrophobicContact CG1-CE2 4.37Å; I540-V637 HydrophobicContact CD1-CB 4.36Å; I540-V637 HydrophobicContact CD1-CG1 4.28Å; I540-V637 HydrophobicContact CD1-CG2 4.22Å |
| 541 | G | 68.2 | Low | 81.6 | Confident | 22.5 Ų | 22.5 | 25.5 Ų | 25.5 | 23% | 0.232 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S535 G539 | S535-G541 CarbonylContact O-C 3.56Å; S535-G541 VanDerWaalsContact O-CA 3.28Å; S535-G541 WeakPolarHBondContact O-CA 3.16Å; S535-G541 PolarHBondContact O-N 3Å; G539-G541 PolarHBondContact O-N 3.44Å |
| 542 | R | 72 | Confident | 81.7 | Confident | 45.5 Ų | 45.5 | 23.1 Ų | 23.1 | 17% | 0.172 | 14% | 0.142 | C | C | . | . | trans | -102.9 | 117.7 | 170 | -74.8 | -176 | -178.7 | -172.4 | -2.8 | 109.5 | S535 G536 H537 G539 I540 F612 L861 | S535-R542 CarbonylContact C-O 3.51Å; S535-R542 CarbonylContact O-C 3.51Å; S535-R542 PolarHBondContact O-N 2.81Å; S535-R542 VanDerWaalsContact O-N 3.08Å; S535-R542 VanDerWaalsContact O-O 3.12Å; G536-R542 CarbonylContact C-O 3.5Å; G536-R542 PolarHBondContact N-O 3.17Å; H537-R542 WeakPolarHBondContact CB-O 3.5Å; H537-R542 PolarHBondContact N-O 3.21Å; H537-R542 WeakPolarHBondContact O-CB 3.35Å; G539-R542 PolarHBondContact O-N 2.96Å; I540-R542 VanDerWaalsContact C-N 3.32Å; R542-F612 HydrophobicContact CG-CD2 3.59Å; R542-F612 HydrophobicContact CG-CE2 4.24Å; R542-F612 HydrophobicContact CG-CG 4.47Å; R542-F612 VanDerWaalsContact NE-CE2 3.27Å; R542-F612 VanDerWaalsContact NE-CG 3.28Å; R542-F612 VanDerWaalsContact NH2-CG 3.31Å; R542-L861 PolarHBondContact NH1-O 3.03Å; R542-L861 PolarHBondContact NH2-O 3.49Å | ||
| 543 | N | 78.8 | Confident | 81.9 | Confident | 83 Ų | 83 | 24.2 Ų | 24.2 | 44% | 0.444 | 15% | 0.149 | S | C | . | . | trans | -76.7 | 136.2 | 169.3 | -66.5 | -6.5 | 0 | 0 | 0 | 109.4 | C534 S535 N610 | C534-N543 WeakPolarHBondContact O-CA 2.97Å; S535-N543 VanDerWaalsContact CA-OD1 3.23Å; S535-N543 WeakPolarHBondContact CA-OD1 3.39Å; S535-N543 WeakPolarHBondContact CB-OD1 3.43Å; N543-N610 HydrophobicContact CB-CB 4.17Å; N543-N610 VanDerWaalsContact O-CB 3.25Å; N543-N610 WeakPolarHBondContact O-CB 3.32Å; N543-N610 PolarHBondContact O-N 3.23Å | ||
| 544 | G | 81.3 | Confident | 82.3 | Confident | 5.5 Ų | 5.5 | 25.3 Ų | 25.3 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 165 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S533 C534 S608 | S533-G544 WeakPolarHBondContact CA-O 3.38Å; C534-G544 PolarHBondContact N-O 2.75Å; C534-G544 PolarHBondContact O-N 3.19Å; G544-S608 CarbonylContact C-O 3.58Å; G544-S608 WeakPolarHBondContact CA-O 3.18Å |
| 545 | C | 86.6 | Confident | 82.6 | Confident | 35 Ų | 35 | 25.4 Ų | 25.4 | 24% | 0.236 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.4 | 178.5 | 66 | 0 | 0 | 0 | 0 | 112.2 | F531 S532 F607 S608 | F531-C545 HydrophobicContact CE2-CB 3.74Å; F531-C545 HydrophobicContact CZ-CB 3.89Å; S532-C545 CarbonylContact O-C 3.55Å; S532-C545 WeakPolarHBondContact O-CA 3.34Å; S532-C545 VanDerWaalsContact O-CB 3.27Å; S532-C545 WeakPolarHBondContact O-CB 3.4Å; C545-F607 CarbonylContact O-C 3.54Å; C545-F607 VanDerWaalsContact O-CA 3.27Å; C545-F607 WeakPolarHBondContact O-CA 3.23Å; C545-S608 PolarHBondContact N-O 3.17Å; C545-S608 PolarHBondContact O-N 2.92Å |
| 546 | T | 85.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.4 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | F531 S532 H537 L548 L606 F607 | F531-T546 CarbonylContact C-O 3.57Å; F531-T546 WeakPolarHBondContact CA-O 3.33Å; S532-T546 PolarHBondContact N-O 3.2Å; S532-T546 PolarHBondContact O-N 3.13Å; S532-T546 PolarHBondContact OG-O 3.43Å; H537-T546 PolarHBondContact CE1-OG1 3.25Å; T546-L548 HydrophobicContact CG2-CD2 3.8Å; T546-L548 HydrophobicContact CG2-CG 4.16Å; T546-L606 CarbonylContact C-O 3.44Å; T546-L606 WeakPolarHBondContact CA-O 3.19Å; T546-F607 HydrophobicContact CG2-CB 4.47Å |
| 547 | L | 89.5 | Confident | 83.9 | Confident | 49.5 Ų | 49.5 | 25.2 Ų | 25.2 | 26% | 0.259 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114 | 175.3 | 172.1 | 65.5 | 0 | 0 | 0 | 108.2 | I529 R530 F531 V549 C605 L606 | I529-L547 HydrophobicContact CG2-CD1 3.7Å; R530-L547 CarbonylContact O-C 3.49Å; R530-L547 WeakPolarHBondContact O-CA 3.23Å; F531-L547 HydrophobicContact CB-CD1 4.16Å; F531-L547 HydrophobicContact CD2-CB 4.3Å; F531-L547 HydrophobicContact CD2-CD1 4.49Å; L547-V549 HydrophobicContact CD1-CG2 4.13Å; L547-V549 HydrophobicContact CD2-CG2 4.24Å; L547-V549 HydrophobicContact CG-CG2 3.87Å; L547-C605 CarbonylContact O-C 3.52Å; L547-C605 WeakPolarHBondContact O-CA 3.39Å; L547-L606 HydrophobicContact CB-CB 4.05Å; L547-L606 HydrophobicContact CD2-CD1 3.86Å; L547-L606 PolarHBondContact N-O 3.39Å; L547-L606 PolarHBondContact O-N 3.46Å |
| 548 | L | 87.6 | Confident | 84.6 | Confident | 7.5 Ų | 7.5 | 25.2 Ų | 25.2 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123 | 173.2 | -115 | 125.5 | 0 | 0 | 0 | 108.1 | Y528 R530 T546 I604 C605 A669 F672 L673 | Y528-L548 HydrophobicContact CE2-CD2 3.7Å; Y528-L548 HydrophobicContact CE2-CG 3.94Å; R530-L548 HydrophobicContact CB-CB 4.27Å; R530-L548 PolarHBondContact N-O 3.06Å; R530-L548 PolarHBondContact O-N 3.02Å; T546-L548 HydrophobicContact CG2-CD2 3.8Å; T546-L548 HydrophobicContact CG2-CG 4.16Å; L548-I604 CarbonylContact C-O 3.56Å; L548-I604 WeakPolarHBondContact CA-O 3.3Å; L548-C605 HydrophobicContact CD1-CB 4.05Å; L548-C605 HydrophobicContact CD2-CB 4Å; L548-A669 HydrophobicContact CD2-CB 3.9Å; L548-F672 HydrophobicContact CB-CD1 3.93Å; L548-F672 HydrophobicContact CB-CD2 4.4Å; L548-F672 HydrophobicContact CB-CE1 3.86Å; L548-F672 HydrophobicContact CB-CE2 4.32Å; L548-F672 HydrophobicContact CB-CG 4.2Å; L548-F672 HydrophobicContact CB-CZ 4.06Å; L548-F672 HydrophobicContact CD1-CB 3.96Å; L548-F672 HydrophobicContact CD1-CD1 4.27Å; L548-F672 HydrophobicContact CD1-CD2 4.43Å; L548-F672 HydrophobicContact CD1-CG 3.97Å; L548-F672 HydrophobicContact CD2-CD1 3.93Å; L548-F672 HydrophobicContact CD2-CE1 4.44Å; L548-F672 HydrophobicContact CD2-CG 4.45Å; L548-F672 HydrophobicContact CG-CD1 4.26Å; L548-F672 HydrophobicContact CG-CG 4.43Å; L548-L673 HydrophobicContact CB-CD2 3.81Å; L548-L673 HydrophobicContact CD2-CD2 3.76Å; L548-L673 HydrophobicContact CG-CD2 4.31Å |
| 549 | V | 89.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 11% | 0.109 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.7 | 177 | -166.6 | 0 | 0 | 0 | 0 | 107.2 | C526 Y528 I529 L547 V552 K603 I604 | C526-V549 WeakPolarHBondContact SG-CG1 3.23Å; Y528-V549 CarbonylContact O-C 3.58Å; Y528-V549 WeakPolarHBondContact O-CA 3.48Å; I529-V549 HydrophobicContact CG1-CG1 4.38Å; L547-V549 HydrophobicContact CD1-CG2 4.13Å; L547-V549 HydrophobicContact CD2-CG2 4.24Å; L547-V549 HydrophobicContact CG-CG2 3.87Å; V549-V552 HydrophobicContact CB-CG2 4.27Å; V549-V552 HydrophobicContact CG1-CG2 3.22Å; V549-K603 CarbonylContact O-C 3.53Å; V549-K603 VanDerWaalsContact O-CA 3.23Å; V549-K603 WeakPolarHBondContact O-CA 3.39Å; V549-I604 HydrophobicContact CB-CB 4.17Å; V549-I604 PolarHBondContact N-O 2.97Å; V549-I604 PolarHBondContact O-N 3.09Å |
| 550 | G | 87.5 | Confident | 85.9 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -137.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R527 Y528 V552 K603 | R527-G550 CarbonylContact O-C 3.57Å; R527-G550 WeakPolarHBondContact O-CA 3.38Å; R527-G550 PolarHBondContact O-N 2.61Å; Y528-G550 VanDerWaalsContact CE2-CA 3.41Å; Y528-G550 PolarHBondContact O-N 3.42Å; G550-V552 PolarHBondContact O-N 2.76Å; G550-V552 VanDerWaalsContact O-N 3.1Å; G550-K603 PolarHBondContact O-N 3.33Å; G550-K603 VanDerWaalsContact O-N 3.09Å |
| 551 | D | 89.9 | Confident | 86.2 | Confident | 49.5 Ų | 49.5 | 29.6 Ų | 29.6 | 27% | 0.265 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -71.3 | 114.4 | 178.7 | -67.4 | -13.4 | 0 | 0 | 0 | 110 | C526 R527 S601 R602 | C526-D551 CarbonylContact C-O 3.55Å; C526-D551 VanDerWaalsContact CA-O 3.28Å; C526-D551 WeakPolarHBondContact CA-O 3.35Å; R527-D551 HydrophobicContact CB-CB 4.13Å; R527-D551 PolarHBondContact N-O 3.11Å; R527-D551 PolarHBondContact O-N 2.71Å; D551-S601 WeakPolarHBondContact CA-O 3.33Å; D551-R602 WeakPolarHBondContact OD1-CA 3.46Å; D551-R602 VanDerWaalsContact OD1-CB 3.3Å; D551-R602 WeakPolarHBondContact OD1-CB 3.48Å; D551-R602 WeakPolarHBondContact OD1-CD 3.36Å; D551-R602 WeakPolarHBondContact OD1-CG 3.49Å |
| 552 | V | 92.8 | Very high | 86.4 | Confident | 24 Ų | 24 | 30.8 Ų | 30.8 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.5 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | Y525 V549 G550 I554 Q600 S601 I604 | Y525-V552 CarbonylContact O-C 3.58Å; Y525-V552 WeakPolarHBondContact O-CA 3.33Å; V549-V552 HydrophobicContact CB-CG2 4.27Å; V549-V552 HydrophobicContact CG1-CG2 3.22Å; G550-V552 PolarHBondContact O-N 2.76Å; G550-V552 VanDerWaalsContact O-N 3.1Å; V552-I554 HydrophobicContact CG1-CG1 4.34Å; V552-Q600 CarbonylContact O-C 3.35Å; V552-Q600 VanDerWaalsContact O-CA 3.28Å; V552-Q600 WeakPolarHBondContact O-CA 3.27Å; V552-S601 PolarHBondContact N-O 3.18Å; V552-S601 PolarHBondContact O-N 3.26Å; V552-S601 VanDerWaalsContact O-O 3.12Å; V552-I604 HydrophobicContact CG2-CD1 4.2Å |
| 553 | T | 93.2 | Very high | 86.3 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 117.2 | 170.7 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | Y525 R598 I599 | Y525-T553 PolarHBondContact N-O 3.07Å; Y525-T553 PolarHBondContact O-N 2.97Å; T553-R598 HydrophobicContact CG2-CG 4.06Å; T553-I599 CarbonylContact C-O 3.53Å; T553-I599 VanDerWaalsContact CA-O 3.32Å; T553-I599 WeakPolarHBondContact CA-O 3.36Å |
| 554 | I | 95 | Very high | 85.8 | Confident | 58 Ų | 58 | 28.6 Ų | 28.6 | 30% | 0.297 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121 | 169.5 | -56.6 | 174 | 0 | 0 | 0 | 106.5 | T522 S523 L524 V552 R598 I599 | T522-I554 HydrophobicContact CG2-CG2 4.3Å; S523-I554 WeakPolarHBondContact O-CA 3.27Å; L524-I554 HydrophobicContact CD1-CD1 4.26Å; L524-I554 HydrophobicContact CD1-CG1 3.73Å; V552-I554 HydrophobicContact CG1-CG1 4.34Å; I554-R598 CarbonylContact O-C 3.56Å; I554-R598 VanDerWaalsContact O-CA 3.3Å; I554-R598 WeakPolarHBondContact O-CA 3.46Å; I554-I599 HydrophobicContact CB-CB 4.31Å; I554-I599 PolarHBondContact N-O 3.16Å; I554-I599 PolarHBondContact O-N 3.06Å |
| 555 | A | 93.9 | Very high | 85.3 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T522 S523 F557 L597 | T522-A555 CarbonylContact C-O 3.57Å; T522-A555 WeakPolarHBondContact CA-O 3.46Å; S523-A555 PolarHBondContact N-O 2.94Å; S523-A555 PolarHBondContact O-N 2.94Å; A555-F557 HydrophobicContact CB-CE2 3.76Å; A555-F557 HydrophobicContact CB-CZ 3.67Å; A555-L597 CarbonylContact C-O 3.57Å; A555-L597 VanDerWaalsContact CA-O 3.27Å; A555-L597 WeakPolarHBondContact CA-O 3.37Å |
| 556 | T | 94.2 | Very high | 84.5 | Confident | 4.5 Ų | 4.5 | 36 Ų | 36 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134 | 176 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | V520 V521 T522 C596 L597 A885 | V520-T556 HydrophobicContact CG1-CG2 3.5Å; V520-T556 VanDerWaalsContact CG1-CG2 3.47Å; V521-T556 CarbonylContact O-C 3.52Å; T522-T556 PolarHBondContact OG1-OG1 3.15Å; T556-C596 PolarHBondContact O-N 2.97Å; T556-C596 PolarHBondContact O-SG 3.12Å; T556-L597 PolarHBondContact N-O 2.98Å; T556-L597 PolarHBondContact O-N 3.33Å; T556-A885 HydrophobicContact CG2-CB 3.83Å |
| 557 | F | 91.8 | Very high | 83.5 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.8 | -176.7 | -49.2 | -94.6 | 0 | 0 | 0 | 110.9 | V520 V521 A555 L593 L594 E595 Y800 L826 | V520-F557 CarbonylContact C-O 3.54Å; V520-F557 VanDerWaalsContact CA-O 3.3Å; V520-F557 WeakPolarHBondContact CA-O 3.21Å; V521-F557 HydrophobicContact CB-CB 4.4Å; V521-F557 HydrophobicContact CB-CD2 4.48Å; V521-F557 HydrophobicContact CG1-CD2 4.4Å; V521-F557 PolarHBondContact N-O 2.92Å; V521-F557 WeakPolarHBondContact O-CD2 3.34Å; V521-F557 PolarHBondContact O-N 3Å; A555-F557 HydrophobicContact CB-CE2 3.76Å; A555-F557 HydrophobicContact CB-CZ 3.67Å; F557-L593 HydrophobicContact CB-CB 3.93Å; F557-L593 HydrophobicContact CB-CD2 4.34Å; F557-L593 HydrophobicContact CG-CB 4.47Å; F557-L594 CarbonylContact C-O 3.52Å; F557-L594 WeakPolarHBondContact CA-O 3.27Å; F557-E595 HydrophobicContact CD1-CB 3.68Å; F557-E595 HydrophobicContact CD1-CG 4.15Å; F557-E595 HydrophobicContact CE1-CB 3.63Å; F557-E595 HydrophobicContact CE1-CG 3.8Å; F557-E595 HydrophobicContact CZ-CG 4.44Å; F557-Y800 AromaticContact CD1-CD2 3.95Å; F557-Y800 HydrophobicContact CD1-CD2 3.99Å; F557-Y800 HydrophobicContact CD1-CE2 4.5Å; F557-Y800 HydrophobicContact CD1-CG 4.31Å; F557-Y800 HydrophobicContact CE1-CD1 4.26Å; F557-Y800 AromaticContact CE1-CD2 3.58Å; F557-Y800 HydrophobicContact CE1-CD2 3.58Å; F557-Y800 HydrophobicContact CE1-CE1 4.42Å; F557-Y800 AromaticContact CE1-CE2 3.82Å; F557-Y800 HydrophobicContact CE1-CE2 3.82Å; F557-Y800 AromaticContact CE1-CG 3.85Å; F557-Y800 HydrophobicContact CE1-CG 3.85Å; F557-L826 HydrophobicContact CD2-CD1 4.23Å; F557-L826 HydrophobicContact CD2-CD2 4.41Å; F557-L826 HydrophobicContact CE1-CD2 4.37Å; F557-L826 HydrophobicContact CE2-CD1 4.01Å; F557-L826 HydrophobicContact CE2-CD2 4.24Å; F557-L826 HydrophobicContact CZ-CD1 4.15Å; F557-L826 HydrophobicContact CZ-CD2 4.22Å |
| 558 | V | 88.9 | Confident | 82.3 | Confident | 1.5 Ų | 1.5 | 35.9 Ų | 35.9 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.9 | 174.3 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | L593 L594 L784 M790 L881 A885 | V558-L593 CarbonylContact O-C 3.59Å; V558-L593 WeakPolarHBondContact O-CA 3.31Å; V558-L594 PolarHBondContact N-O 3.3Å; V558-L594 PolarHBondContact O-N 2.92Å; V558-L784 HydrophobicContact CB-CD2 4.48Å; V558-L784 HydrophobicContact CG1-CD2 3.44Å; V558-L784 HydrophobicContact CG2-CD2 4.42Å; V558-M790 HydrophobicContact CG1-CE 4.42Å; V558-L881 HydrophobicContact CB-CD2 4.29Å; V558-L881 HydrophobicContact CB-CG 4.45Å; V558-L881 HydrophobicContact CG1-CD1 4.35Å; V558-L881 HydrophobicContact CG2-CD1 4.28Å; V558-L881 HydrophobicContact CG2-CD2 4.41Å; V558-L881 HydrophobicContact CG2-CG 4.08Å; V558-A885 HydrophobicContact CG2-CB 3.83Å |
| 559 | K | 86 | Confident | 81.3 | Confident | 69 Ų | 69 | 37.9 Ų | 37.9 | 30% | 0.3 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 130 | 175 | 178.2 | 170 | 162.1 | 168.9 | 0 | 110.9 | N519 D591 L593 | N519-K559 PolarHBondContact O-N 3.06Å; K559-D591 HydrophobicContact CD-CB 3.97Å; K559-D591 WeakPolarHBondContact CE-OD1 3.46Å; K559-D591 WeakPolarHBondContact CE-OD2 3.25Å; K559-D591 HydrophobicContact CG-CB 4.11Å; K559-D591 IonicContact NZ-OD1 3.21Å; K559-D591 PolarHBondContact NZ-OD1 3.28Å; K559-D591 VanDerWaalsContact NZ-OD1 3.15Å; K559-D591 IonicContact NZ-OD2 3.3Å; K559-D591 PolarHBondContact NZ-OD2 3.09Å; K559-L593 HydrophobicContact CB-CD2 3.98Å |
| 560 | V | 81.2 | Confident | 80.2 | Confident | 8.5 Ų | 8.5 | 41 Ų | 41 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -88.8 | 127.8 | 174.8 | -176 | 0 | 0 | 0 | 0 | 109.1 | A562 R565 V592 L594 Y794 | V560-A562 PolarHBondContact O-N 2.88Å; V560-R565 HydrophobicContact CG1-CB 4.41Å; V560-V592 PolarHBondContact N-O 3.4Å; V560-L594 HydrophobicContact CG2-CD1 3.51Å; V560-L594 HydrophobicContact CG2-CD2 4.44Å; V560-L594 HydrophobicContact CG2-CG 3.54Å; V560-Y794 HydrophobicContact CG1-CD2 4.25Å; V560-Y794 HydrophobicContact CG1-CE2 4.42Å; V560-Y794 HydrophobicContact CG2-CD2 3.98Å; V560-Y794 HydrophobicContact CG2-CE2 4.32Å |
| 561 | D | 76.3 | Confident | 78.9 | Confident | 97.5 Ų | 97.5 | 44.6 Ų | 44.6 | 52% | 0.521 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 129.5 | 176.3 | -173.4 | -7.2 | 0 | 0 | 0 | 110.7 | A563 M564 R565 | D561-A563 PolarHBondContact O-N 3.11Å; D561-A563 WeakPolarHBondContact OD1-CB 3.4Å; D561-A563 PolarHBondContact OD1-N 3.4Å; D561-M564 HydrophobicContact CB-CB 4.14Å; D561-M564 PolarHBondContact O-N 3.38Å; D561-M564 VanDerWaalsContact O-N 3.13Å; D561-R565 PolarHBondContact O-N 3.14Å |
| 562 | A | 73.3 | Confident | 77.4 | Confident | 47.5 Ų | 47.5 | 44 Ų | 44 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.8 | -31.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V560 R566 | V560-A562 PolarHBondContact O-N 2.88Å; A562-R566 WeakPolarHBondContact O-CB 3.32Å; A562-R566 WeakPolarHBondContact O-CG 3.44Å; A562-R566 PolarHBondContact O-N 2.72Å; A562-R566 PolarHBondContact O-NE 3.06Å |
| 563 | A | 69 | Low | 75.3 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D561 R565 R566 A567 | D561-A563 PolarHBondContact O-N 3.11Å; D561-A563 WeakPolarHBondContact OD1-CB 3.4Å; D561-A563 PolarHBondContact OD1-N 3.4Å; A563-R565 VanDerWaalsContact C-N 3.3Å; A563-R565 PolarHBondContact O-N 3.17Å; A563-R566 PolarHBondContact O-N 3.31Å; A563-A567 WeakPolarHBondContact O-CB 3.25Å; A563-A567 PolarHBondContact O-N 3.13Å |
| 564 | M | 68.9 | Low | 73 | Confident | 38.5 Ų | 38.5 | 48.5 Ų | 48.5 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.8 | -175.3 | -179.6 | -71.9 | 0 | 0 | 111.2 | D561 R566 A567 Y568 P787 M790 L791 | D561-M564 HydrophobicContact CB-CB 4.14Å; D561-M564 PolarHBondContact O-N 3.38Å; D561-M564 VanDerWaalsContact O-N 3.13Å; M564-R566 PolarHBondContact O-N 3.49Å; M564-A567 PolarHBondContact O-N 3.13Å; M564-Y568 WeakPolarHBondContact O-CB 2.98Å; M564-Y568 PolarHBondContact O-N 3.18Å; M564-P787 HydrophobicContact CE-CB 4.13Å; M564-P787 HydrophobicContact CE-CG 4.31Å; M564-M790 HydrophobicContact CE-CB 4.24Å; M564-M790 HydrophobicContact CE-CG 4.5Å; M564-M790 HydrophobicContact SD-CB 3.64Å; M564-M790 HydrophobicContact SD-CG 4.38Å; M564-L791 HydrophobicContact CG-CD2 4.1Å |
| 565 | R | 70 | Confident | 70.6 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.8 | -172.1 | -177.7 | -179.9 | -163.5 | 1 | 112.6 | V560 D561 A563 A567 Y568 L569 P588 V592 Y794 | V560-R565 HydrophobicContact CG1-CB 4.41Å; D561-R565 PolarHBondContact O-N 3.14Å; A563-R565 VanDerWaalsContact C-N 3.3Å; A563-R565 PolarHBondContact O-N 3.17Å; R565-A567 VanDerWaalsContact C-N 3.35Å; R565-Y568 WeakPolarHBondContact O-CB 3.28Å; R565-Y568 PolarHBondContact O-N 3.27Å; R565-L569 HydrophobicContact CG-CD1 4.21Å; R565-L569 VanDerWaalsContact O-CG 3.27Å; R565-L569 WeakPolarHBondContact O-CG 3.44Å; R565-L569 PolarHBondContact O-N 3.11Å; R565-P588 VanDerWaalsContact CZ-CG 3.5Å; R565-P588 VanDerWaalsContact NH1-CG 3.25Å; R565-P588 VanDerWaalsContact NH2-CD 3.34Å; R565-V592 VanDerWaalsContact CZ-CG2 3.47Å; R565-Y794 PolarHBondContact NE-OH 3.22Å; R565-Y794 VanDerWaalsContact NE-OH 3.13Å |
| 566 | R | 69.8 | Low | 68.3 | Low | 166 Ų | 166 | 55.6 Ų | 55.6 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 176.2 | -85.8 | -179.5 | -80.1 | 120.2 | -5.7 | 111.6 | A562 A563 M564 Y568 L569 S570 | A562-R566 WeakPolarHBondContact O-CB 3.32Å; A562-R566 WeakPolarHBondContact O-CG 3.44Å; A562-R566 PolarHBondContact O-N 2.72Å; A562-R566 PolarHBondContact O-NE 3.06Å; A563-R566 PolarHBondContact O-N 3.31Å; M564-R566 PolarHBondContact O-N 3.49Å; R566-Y568 VanDerWaalsContact C-N 3.32Å; R566-Y568 PolarHBondContact O-N 3.09Å; R566-L569 PolarHBondContact O-N 3.42Å; R566-S570 WeakPolarHBondContact O-CB 3.41Å; R566-S570 PolarHBondContact O-N 3.1Å; R566-S570 PolarHBondContact O-OG 3Å |
| 567 | A | 64.7 | Low | 66.1 | Low | 42.5 Ų | 42.5 | 57.7 Ų | 57.7 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A563 M564 R565 S570 S571 | A563-A567 WeakPolarHBondContact O-CB 3.25Å; A563-A567 PolarHBondContact O-N 3.13Å; M564-A567 PolarHBondContact O-N 3.13Å; R565-A567 VanDerWaalsContact C-N 3.35Å; A567-S570 WeakPolarHBondContact CA-OG 3.36Å; A567-S570 PolarHBondContact O-N 2.91Å; A567-S570 PolarHBondContact O-OG 3.24Å; A567-S571 WeakPolarHBondContact O-CB 3.38Å; A567-S571 PolarHBondContact O-N 2.88Å |
| 568 | Y | 65.4 | Low | 64.3 | Low | 8 Ų | 8 | 60.5 Ų | 60.5 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 173.8 | -178.4 | -114.3 | 0 | 0 | 0 | 112.4 | M564 R565 R566 S570 S571 L572 L791 Y794 E795 P969 | M564-Y568 WeakPolarHBondContact O-CB 2.98Å; M564-Y568 PolarHBondContact O-N 3.18Å; R565-Y568 WeakPolarHBondContact O-CB 3.28Å; R565-Y568 PolarHBondContact O-N 3.27Å; R566-Y568 VanDerWaalsContact C-N 3.32Å; R566-Y568 PolarHBondContact O-N 3.09Å; Y568-S570 PolarHBondContact O-N 3.2Å; Y568-S571 PolarHBondContact O-N 2.9Å; Y568-S571 VanDerWaalsContact O-N 3.13Å; Y568-S571 PolarHBondContact O-OG 2.97Å; Y568-L572 HydrophobicContact CD1-CD1 3.88Å; Y568-L572 HydrophobicContact CD2-CD1 3.8Å; Y568-L572 HydrophobicContact CE1-CD1 3.5Å; Y568-L572 HydrophobicContact CE2-CD1 3.87Å; Y568-L572 HydrophobicContact CG-CD1 4.2Å; Y568-L572 VanDerWaalsContact CZ-CD1 3.46Å; Y568-L572 WeakPolarHBondContact O-CD1 3.5Å; Y568-L572 PolarHBondContact O-N 3.2Å; Y568-L791 HydrophobicContact CD1-CD2 4.46Å; Y568-L791 HydrophobicContact CD2-CB 4.3Å; Y568-L791 HydrophobicContact CD2-CD1 4.01Å; Y568-L791 HydrophobicContact CD2-CD2 3.58Å; Y568-L791 HydrophobicContact CD2-CG 4.14Å; Y568-L791 HydrophobicContact CE2-CB 4.47Å; Y568-L791 HydrophobicContact CE2-CD2 4.34Å; Y568-L791 HydrophobicContact CG-CD2 3.69Å; Y568-Y794 AromaticContact CD1-CD1 3.93Å; Y568-Y794 HydrophobicContact CD1-CD1 3.93Å; Y568-Y794 AromaticContact CD1-CE1 3.91Å; Y568-Y794 HydrophobicContact CD1-CE1 3.91Å; Y568-Y794 AromaticContact CE1-CD1 3.75Å; Y568-Y794 HydrophobicContact CE1-CD1 3.75Å; Y568-Y794 AromaticContact CE1-CE1 3.84Å; Y568-Y794 HydrophobicContact CE1-CE1 3.84Å; Y568-E795 HydrophobicContact CE2-CG 4.27Å; Y568-E795 WeakPolarHBondContact CE2-OE1 3.33Å; Y568-E795 VanDerWaalsContact CZ-OE1 3.31Å; Y568-E795 WeakPolarHBondContact OH-CG 3.44Å; Y568-E795 PolarHBondContact OH-OE1 3.01Å; Y568-P969 HydrophobicContact CE2-CG 4.41Å |
| 569 | L | 66.5 | Low | 63 | Low | 50 Ų | 50 | 61.7 Ų | 61.7 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.5 | -34.4 | 178.9 | -69.6 | 172.7 | 0 | 0 | 0 | 112.4 | R565 R566 V579 | R565-L569 HydrophobicContact CG-CD1 4.21Å; R565-L569 VanDerWaalsContact O-CG 3.27Å; R565-L569 WeakPolarHBondContact O-CG 3.44Å; R565-L569 PolarHBondContact O-N 3.11Å; R566-L569 PolarHBondContact O-N 3.42Å; L569-V579 HydrophobicContact CD2-CB 4.18Å; L569-V579 HydrophobicContact CD2-CG1 3.76Å; L569-V579 HydrophobicContact CD2-CG2 3.36Å |
| 570 | S | 65.8 | Low | 61.7 | Low | 82 Ų | 82 | 58.7 Ų | 58.7 | 57% | 0.573 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71.9 | -35.7 | 175.2 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | R566 A567 Y568 L572 G573 | R566-S570 WeakPolarHBondContact O-CB 3.41Å; R566-S570 PolarHBondContact O-N 3.1Å; R566-S570 PolarHBondContact O-OG 3Å; A567-S570 WeakPolarHBondContact CA-OG 3.36Å; A567-S570 PolarHBondContact O-N 2.91Å; A567-S570 PolarHBondContact O-OG 3.24Å; Y568-S570 PolarHBondContact O-N 3.2Å; S570-L572 VanDerWaalsContact C-N 3.32Å; S570-L572 PolarHBondContact O-N 3.16Å; S570-G573 PolarHBondContact O-N 3.16Å |
| 571 | S | 59.5 | Low | 60.7 | Low | 79.5 Ų | 79.5 | 64.5 Ų | 64.5 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.6 | -24 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | A567 Y568 G573 | A567-S571 WeakPolarHBondContact O-CB 3.38Å; A567-S571 PolarHBondContact O-N 2.88Å; Y568-S571 PolarHBondContact O-N 2.9Å; Y568-S571 VanDerWaalsContact O-N 3.13Å; Y568-S571 PolarHBondContact O-OG 2.97Å; S571-G573 PolarHBondContact O-N 3.42Å |
| 572 | L | 60 | Low | 59.8 | Low | 37 Ų | 37 | 60.9 Ų | 60.9 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -10.3 | 178.9 | -91.1 | 114.8 | 0 | 0 | 0 | 114.3 | Y568 S570 G574 S575 A577 V579 | Y568-L572 HydrophobicContact CD1-CD1 3.88Å; Y568-L572 HydrophobicContact CD2-CD1 3.8Å; Y568-L572 HydrophobicContact CE1-CD1 3.5Å; Y568-L572 HydrophobicContact CE2-CD1 3.87Å; Y568-L572 HydrophobicContact CG-CD1 4.2Å; Y568-L572 VanDerWaalsContact CZ-CD1 3.46Å; Y568-L572 WeakPolarHBondContact O-CD1 3.5Å; Y568-L572 PolarHBondContact O-N 3.2Å; S570-L572 VanDerWaalsContact C-N 3.32Å; S570-L572 PolarHBondContact O-N 3.16Å; L572-G574 VanDerWaalsContact C-N 3.26Å; L572-G574 PolarHBondContact O-N 3.21Å; L572-S575 VanDerWaalsContact O-CB 3.26Å; L572-S575 WeakPolarHBondContact O-CB 3.31Å; L572-S575 PolarHBondContact O-N 3.33Å; L572-A577 HydrophobicContact CD2-CB 3.25Å; L572-A577 HydrophobicContact CG-CB 3.74Å; L572-V579 HydrophobicContact CD2-CG2 4.25Å |
| 573 | G | 47.9 | Very low | 59.1 | Low | 72 Ų | 72 | 64.1 Ų | 64.1 | 74% | 0.742 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 30 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S570 S571 S575 | S570-G573 PolarHBondContact O-N 3.16Å; S571-G573 PolarHBondContact O-N 3.42Å; G573-S575 VanDerWaalsContact C-N 3.3Å; G573-S575 PolarHBondContact O-N 2.89Å |
| 574 | G | 44.2 | Very low | 58.4 | Low | 70.5 Ų | 70.5 | 66.5 Ų | 66.5 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 3.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L572 I576 | L572-G574 VanDerWaalsContact C-N 3.26Å; L572-G574 PolarHBondContact O-N 3.21Å; G574-I576 VanDerWaalsContact C-N 3.3Å; G574-I576 WeakPolarHBondContact O-CG1 3.34Å; G574-I576 PolarHBondContact O-N 3.3Å |
| 575 | S | 44.7 | Very low | 58.1 | Low | 83.5 Ų | 83.5 | 66.7 Ų | 66.7 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | trans | -70.9 | 114.9 | 168.7 | -163.3 | 0 | 0 | 0 | 0 | 110.1 | L572 G573 A577 | L572-S575 VanDerWaalsContact O-CB 3.26Å; L572-S575 WeakPolarHBondContact O-CB 3.31Å; L572-S575 PolarHBondContact O-N 3.33Å; G573-S575 VanDerWaalsContact C-N 3.3Å; G573-S575 PolarHBondContact O-N 2.89Å; S575-A577 PolarHBondContact O-N 3.28Å; S575-A577 VanDerWaalsContact O-N 3.15Å | ||
| 576 | I | 45.4 | Very low | 57.8 | Low | 128.5 Ų | 128.5 | 67.7 Ų | 67.7 | 66% | 0.659 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -71.3 | 26.4 | -173.6 | -59.2 | 164.8 | 0 | 0 | 0 | 111.9 | G574 Y578 | G574-I576 VanDerWaalsContact C-N 3.3Å; G574-I576 WeakPolarHBondContact O-CG1 3.34Å; G574-I576 PolarHBondContact O-N 3.3Å; I576-Y578 VanDerWaalsContact C-N 3.33Å; I576-Y578 PolarHBondContact O-N 3.1Å |
| 577 | A | 48.1 | Very low | 57.6 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | trans | -77.6 | 57.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L572 S575 V579 | L572-A577 HydrophobicContact CD2-CB 3.25Å; L572-A577 HydrophobicContact CG-CB 3.74Å; S575-A577 PolarHBondContact O-N 3.28Å; S575-A577 VanDerWaalsContact O-N 3.15Å; A577-V579 PolarHBondContact O-N 3.15Å | ||
| 578 | Y | 54.8 | Low | 57.6 | Low | 65.5 Ų | 65.5 | 64.8 Ų | 64.8 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | trans | -100.9 | 76.3 | -167.4 | -142.8 | -90.8 | 0 | 0 | 0 | 113.6 | I576 P580 S830 P1048 Q1049 Y1051 | I576-Y578 VanDerWaalsContact C-N 3.33Å; I576-Y578 PolarHBondContact O-N 3.1Å; Y578-P580 HydrophobicContact CE1-CG 4.42Å; Y578-P580 WeakPolarHBondContact O-CD 3.43Å; Y578-S830 WeakPolarHBondContact OH-CB 3.46Å; Y578-P1048 HydrophobicContact CE1-CB 3.9Å; Y578-P1048 HydrophobicContact CE2-CB 4.09Å; Y578-P1048 WeakPolarHBondContact OH-CA 2.94Å; Y578-P1048 WeakPolarHBondContact OH-CB 3.4Å; Y578-P1048 PolarHBondContact OH-O 3.16Å; Y578-Q1049 HydrophobicContact CD1-CG 3.81Å; Y578-Q1049 HydrophobicContact CE1-CG 3.33Å; Y578-Q1049 HydrophobicContact CE2-CG 4.29Å; Y578-Q1049 HydrophobicContact CG-CG 4.33Å; Y578-Y1051 HydrophobicContact CE2-CE1 4.27Å; Y578-Y1051 WeakPolarHBondContact CE2-OH 3.31Å | ||
| 579 | V | 61.2 | Low | 57.6 | Low | 26 Ų | 26 | 73.6 Ų | 73.6 | 16% | 0.158 | 47% | 0.466 | C | S | . | . | trans | -92.2 | 122.8 | 168.1 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | L569 L572 A577 R581 | L569-V579 HydrophobicContact CD2-CB 4.18Å; L569-V579 HydrophobicContact CD2-CG1 3.76Å; L569-V579 HydrophobicContact CD2-CG2 3.36Å; L572-V579 HydrophobicContact CD2-CG2 4.25Å; A577-V579 PolarHBondContact O-N 3.15Å; V579-R581 WeakPolarHBondContact O-CG 3.45Å; V579-R581 PolarHBondContact O-N 3.08Å; V579-R581 VanDerWaalsContact O-N 3.14Å | ||
| 580 | P | 59.8 | Low | 57.7 | Low | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.039 | 47% | 0.469 | C | S | . | . | trans | -54.4 | 117.9 | 170.7 | -2.2 | 1.5 | 0 | 0 | 0 | 109.6 | Y578 P588 Y794 A799 L829 | Y578-P580 HydrophobicContact CE1-CG 4.42Å; Y578-P580 WeakPolarHBondContact O-CD 3.43Å; P580-P588 WeakPolarHBondContact O-CD 3.48Å; P580-Y794 WeakPolarHBondContact CD-OH 3.28Å; P580-Y794 HydrophobicContact CG-CE1 4.13Å; P580-Y794 HydrophobicContact CG-CE2 4.35Å; P580-Y794 WeakPolarHBondContact CG-OH 3.23Å; P580-A799 HydrophobicContact CB-CB 3.81Å; P580-A799 HydrophobicContact CG-CB 3.97Å; P580-L829 HydrophobicContact CB-CB 3.92Å; P580-L829 HydrophobicContact CB-CD1 4.26Å | ||
| 581 | R | 60.4 | Low | 58.2 | Low | 132 Ų | 132 | 72 Ų | 72 | 50% | 0.498 | 46% | 0.459 | S | S | . | . | trans | -116.1 | 150.8 | -178.7 | -77.9 | 174.4 | -178.1 | -177.1 | 0 | 109 | V579 G585 L829 | V579-R581 WeakPolarHBondContact O-CG 3.45Å; V579-R581 PolarHBondContact O-N 3.08Å; V579-R581 VanDerWaalsContact O-N 3.14Å; R581-G585 WeakPolarHBondContact CD-O 3.26Å; R581-L829 WeakPolarHBondContact O-CA 3.44Å; R581-L829 VanDerWaalsContact O-O 3.13Å | ||
| 582 | A | 56.8 | Low | 59.3 | Low | 20 Ų | 20 | 68.3 Ų | 68.3 | 17% | 0.165 | 43% | 0.433 | C | S | . | . | trans | -61.3 | 161.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | S584 G585 S586 L829 | A582-S584 PolarHBondContact O-N 3.2Å; A582-S584 VanDerWaalsContact O-N 3.09Å; A582-G585 WeakPolarHBondContact O-CA 3.45Å; A582-G585 PolarHBondContact O-N 3.07Å; A582-S586 PolarHBondContact N-O 2.91Å; A582-S586 VanDerWaalsContact N-O 3.08Å; A582-L829 HydrophobicContact CB-CD2 4.29Å | ||
| 583 | A | 57.8 | Low | 60.7 | Low | 115 Ų | 115 | 66.8 Ų | 66.8 | 95% | 0.95 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G585 | A583-G585 VanDerWaalsContact C-N 3.33Å; A583-G585 PolarHBondContact O-N 2.74Å |
| 584 | S | 55.4 | Low | 62.6 | Low | 95 Ų | 95 | 63.4 Ų | 63.4 | 66% | 0.664 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.6 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | A582 S586 | A582-S584 PolarHBondContact O-N 3.2Å; A582-S584 VanDerWaalsContact O-N 3.09Å; S584-S586 VanDerWaalsContact C-N 3.25Å; S584-S586 PolarHBondContact O-N 3.11Å; S584-S586 PolarHBondContact OG-N 3.03Å; S584-S586 PolarHBondContact OG-OG 2.98Å |
| 585 | G | 61 | Low | 64.9 | Low | 42.5 Ų | 42.5 | 60.1 Ų | 60.1 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 79 | -2.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R581 A582 A583 | R581-G585 WeakPolarHBondContact CD-O 3.26Å; A582-G585 WeakPolarHBondContact O-CA 3.45Å; A582-G585 PolarHBondContact O-N 3.07Å; A583-G585 VanDerWaalsContact C-N 3.33Å; A583-G585 PolarHBondContact O-N 2.74Å |
| 586 | S | 63.9 | Low | 67.1 | Low | 52 Ų | 52 | 56.2 Ų | 56.2 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -74.7 | 157.5 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | A582 S584 | A582-S586 PolarHBondContact N-O 2.91Å; A582-S586 VanDerWaalsContact N-O 3.08Å; S584-S586 VanDerWaalsContact C-N 3.25Å; S584-S586 PolarHBondContact O-N 3.11Å; S584-S586 PolarHBondContact OG-N 3.03Å; S584-S586 PolarHBondContact OG-OG 2.98Å |
| 587 | Q | 65.9 | Low | 69.4 | Low | 133 Ų | 133 | 50.7 Ų | 50.7 | 62% | 0.621 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 142.9 | 165.1 | -71.4 | -163 | -10.6 | 0 | 0 | 109.2 | K589 | Q587-K589 PolarHBondContact O-N 2.86Š|
| 588 | P | 65.1 | Low | 71.6 | Confident | 13.5 Ų | 13.5 | 49.9 Ų | 49.9 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.5 | 175 | 28.6 | -35.6 | 0 | 0 | 0 | 108.5 | R565 P580 V592 E801 L829 | R565-P588 VanDerWaalsContact CZ-CG 3.5Å; R565-P588 VanDerWaalsContact NH1-CG 3.25Å; R565-P588 VanDerWaalsContact NH2-CD 3.34Å; P580-P588 WeakPolarHBondContact O-CD 3.48Å; P588-V592 HydrophobicContact CB-CG2 4.46Å; P588-V592 HydrophobicContact CG-CG2 3.87Å; P588-E801 WeakPolarHBondContact CA-OE2 3.3Å; P588-E801 HydrophobicContact CB-CG 4.4Å; P588-E801 WeakPolarHBondContact CB-OE2 3.13Å; P588-L829 HydrophobicContact CB-CD1 4.03Å; P588-L829 HydrophobicContact CB-CD2 4.3Å; P588-L829 HydrophobicContact CG-CD1 4.26Å |
| 589 | K | 65.3 | Low | 73.4 | Confident | 193 Ų | 193 | 49.7 Ų | 49.7 | 84% | 0.839 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -79.6 | -29.1 | -177.4 | -67.3 | -179.9 | 177.2 | 179.9 | 0 | 111 | Q587 E801 | Q587-K589 PolarHBondContact O-N 2.86Å; K589-E801 WeakPolarHBondContact CA-OE1 3.34Å; K589-E801 WeakPolarHBondContact CB-OE1 3.41Å; K589-E801 PolarHBondContact N-OE1 3.36Å |
| 590 | G | 68.8 | Low | 74.9 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -107 | -170.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E801 | G590-E801 PolarHBondContact N-OE1 3.16Š|
| 591 | D | 75.9 | Confident | 76.4 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | trans | -65.4 | 140.6 | 176.1 | -63.3 | -52.5 | 0 | 0 | 0 | 111.6 | K559 | K559-D591 HydrophobicContact CD-CB 3.97Å; K559-D591 WeakPolarHBondContact CE-OD1 3.46Å; K559-D591 WeakPolarHBondContact CE-OD2 3.25Å; K559-D591 HydrophobicContact CG-CB 4.11Å; K559-D591 IonicContact NZ-OD1 3.21Å; K559-D591 PolarHBondContact NZ-OD1 3.28Å; K559-D591 VanDerWaalsContact NZ-OD1 3.15Å; K559-D591 IonicContact NZ-OD2 3.3Å; K559-D591 PolarHBondContact NZ-OD2 3.09Å | ||
| 592 | V | 82.9 | Confident | 77.6 | Confident | 2.5 Ų | 2.5 | 49 Ų | 49 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.2 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | V560 R565 P588 Y794 A799 L829 | V560-V592 PolarHBondContact N-O 3.4Å; R565-V592 VanDerWaalsContact CZ-CG2 3.47Å; P588-V592 HydrophobicContact CB-CG2 4.46Å; P588-V592 HydrophobicContact CG-CG2 3.87Å; V592-Y794 HydrophobicContact CB-CE2 4.35Å; V592-Y794 HydrophobicContact CG1-CE2 3.85Å; V592-A799 HydrophobicContact CG1-CB 3.8Å; V592-L829 HydrophobicContact CG1-CD1 4.3Å; V592-L829 HydrophobicContact CG2-CD1 4.05Å |
| 593 | L | 88.7 | Confident | 78.9 | Confident | 5.5 Ų | 5.5 | 49.5 Ų | 49.5 | 3% | 0.029 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.3 | -179.4 | -65.5 | 173.4 | 0 | 0 | 0 | 109.2 | V521 F557 V558 K559 A799 Y800 L802 L826 | V521-L593 HydrophobicContact CB-CD1 4.38Å; V521-L593 HydrophobicContact CB-CD2 4.41Å; V521-L593 HydrophobicContact CG2-CD1 4.13Å; V521-L593 HydrophobicContact CG2-CD2 4.01Å; F557-L593 HydrophobicContact CB-CB 3.93Å; F557-L593 HydrophobicContact CB-CD2 4.34Å; F557-L593 HydrophobicContact CG-CB 4.47Å; V558-L593 CarbonylContact O-C 3.59Å; V558-L593 WeakPolarHBondContact O-CA 3.31Å; K559-L593 HydrophobicContact CB-CD2 3.98Å; L593-A799 CarbonylContact O-C 3.53Å; L593-A799 WeakPolarHBondContact O-CA 3.31Å; L593-Y800 PolarHBondContact N-O 3.06Å; L593-Y800 PolarHBondContact O-N 3.46Å; L593-L802 HydrophobicContact CD1-CB 4.07Å; L593-L826 HydrophobicContact CD1-CD2 3.93Å |
| 594 | L | 89.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.5 | 175.4 | -66.1 | 175.8 | 0 | 0 | 0 | 110.4 | F557 V558 V560 C596 M790 Y794 L797 A799 | F557-L594 CarbonylContact C-O 3.52Å; F557-L594 WeakPolarHBondContact CA-O 3.27Å; V558-L594 PolarHBondContact N-O 3.3Å; V558-L594 PolarHBondContact O-N 2.92Å; V560-L594 HydrophobicContact CG2-CD1 3.51Å; V560-L594 HydrophobicContact CG2-CD2 4.44Å; V560-L594 HydrophobicContact CG2-CG 3.54Å; L594-C596 PolarHBondContact O-N 3.16Å; L594-M790 HydrophobicContact CD1-CE 4.45Å; L594-Y794 HydrophobicContact CD1-CD2 4.17Å; L594-Y794 HydrophobicContact CD2-CD2 3.88Å; L594-Y794 HydrophobicContact CD2-CE2 4.49Å; L594-Y794 HydrophobicContact CG-CD2 4.34Å; L594-L797 HydrophobicContact CB-CB 4.44Å; L594-L797 HydrophobicContact CB-CD1 4.37Å; L594-L797 HydrophobicContact CD2-CB 4.39Å; L594-A799 HydrophobicContact CD2-CB 4.16Å |
| 595 | E | 91.7 | Very high | 81.8 | Confident | 2.5 Ų | 2.5 | 41 Ų | 41 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 114.5 | 175.7 | -172.2 | -178.9 | -177.7 | 0 | 0 | 110.8 | F557 R598 G798 Y800 Q834 | F557-E595 HydrophobicContact CD1-CB 3.68Å; F557-E595 HydrophobicContact CD1-CG 4.15Å; F557-E595 HydrophobicContact CE1-CB 3.63Å; F557-E595 HydrophobicContact CE1-CG 3.8Å; F557-E595 HydrophobicContact CZ-CG 4.44Å; E595-R598 VanDerWaalsContact OE1-CB 3.32Å; E595-R598 WeakPolarHBondContact OE1-CB 3.17Å; E595-R598 VanDerWaalsContact OE1-CD 3.22Å; E595-R598 WeakPolarHBondContact OE1-CD 3.31Å; E595-R598 IonicContact OE1-CZ 2.98Å; E595-R598 IonicContact OE1-NE 3.34Å; E595-R598 PolarHBondContact OE1-NE 2.78Å; E595-R598 IonicContact OE1-NH1 3.04Å; E595-R598 PolarHBondContact OE1-NH1 3.41Å; E595-R598 IonicContact OE1-NH2 3.68Å; E595-R598 PolarHBondContact OE1-NH2 3.25Å; E595-R598 IonicContact OE2-CZ 3.15Å; E595-R598 IonicContact OE2-NE 3.31Å; E595-R598 IonicContact OE2-NH2 3.39Å; E595-R598 PolarHBondContact OE2-NH2 3.17Å; E595-G798 PolarHBondContact N-O 3.19Å; E595-G798 VanDerWaalsContact N-O 3.1Å; E595-Y800 HydrophobicContact CB-CD2 4.35Å; E595-Y800 HydrophobicContact CB-CE2 4Å; E595-Y800 WeakPolarHBondContact OE2-CE2 3.49Å; E595-Y800 PolarHBondContact OE2-OH 3.12Å; E595-Q834 PolarHBondContact OE2-NE2 2.72Å |
| 596 | C | 91.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -16 | -172 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | T556 L594 L797 S879 L881 G882 | T556-C596 PolarHBondContact O-N 2.97Å; T556-C596 PolarHBondContact O-SG 3.12Å; L594-C596 PolarHBondContact O-N 3.16Å; C596-L797 HydrophobicContact CB-CD1 4.49Å; C596-S879 PolarHBondContact O-N 3.18Å; C596-S879 PolarHBondContact O-OG 3.36Å; C596-L881 HydrophobicContact CB-CB 4.18Å; C596-L881 HydrophobicContact CB-CD2 3.99Å; C596-L881 HydrophobicContact CB-CG 3.98Å; C596-G882 VanDerWaalsContact SG-CA 3.53Å |
| 597 | L | 93.5 | Very high | 84 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.4 | 176.4 | -179.2 | 119.9 | 0 | 0 | 0 | 109 | A555 T556 I599 F877 I886 | A555-L597 CarbonylContact C-O 3.57Å; A555-L597 VanDerWaalsContact CA-O 3.27Å; A555-L597 WeakPolarHBondContact CA-O 3.37Å; T556-L597 PolarHBondContact N-O 2.98Å; T556-L597 PolarHBondContact O-N 3.33Å; L597-I599 HydrophobicContact CD2-CD1 4.48Å; L597-I599 HydrophobicContact CD2-CG1 4.07Å; L597-F877 CarbonylContact C-O 3.53Å; L597-F877 VanDerWaalsContact CA-O 3.29Å; L597-F877 WeakPolarHBondContact CA-O 3.18Å; L597-I886 HydrophobicContact CD1-CD1 3.93Å; L597-I886 HydrophobicContact CD1-CG1 4.4Å; L597-I886 HydrophobicContact CD2-CD1 4Å; L597-I886 HydrophobicContact CD2-CG1 4.49Å |
| 598 | R | 94.1 | Very high | 84.9 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 12% | 0.121 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 127.6 | 170.2 | -177 | -177.6 | -1.8 | -172.3 | 5.8 | 110.1 | T553 I554 E595 Y800 Q834 D835 L876 F877 | T553-R598 HydrophobicContact CG2-CG 4.06Å; I554-R598 CarbonylContact O-C 3.56Å; I554-R598 VanDerWaalsContact O-CA 3.3Å; I554-R598 WeakPolarHBondContact O-CA 3.46Å; E595-R598 VanDerWaalsContact OE1-CB 3.32Å; E595-R598 WeakPolarHBondContact OE1-CB 3.17Å; E595-R598 VanDerWaalsContact OE1-CD 3.22Å; E595-R598 WeakPolarHBondContact OE1-CD 3.31Å; E595-R598 IonicContact OE1-CZ 2.98Å; E595-R598 IonicContact OE1-NE 3.34Å; E595-R598 PolarHBondContact OE1-NE 2.78Å; E595-R598 IonicContact OE1-NH1 3.04Å; E595-R598 PolarHBondContact OE1-NH1 3.41Å; E595-R598 IonicContact OE1-NH2 3.68Å; E595-R598 PolarHBondContact OE1-NH2 3.25Å; E595-R598 IonicContact OE2-CZ 3.15Å; E595-R598 IonicContact OE2-NE 3.31Å; E595-R598 IonicContact OE2-NH2 3.39Å; E595-R598 PolarHBondContact OE2-NH2 3.17Å; R598-Y800 PolarHBondContact NH2-OH 2.78Å; R598-Q834 PolarHBondContact NH2-O 2.75Å; R598-D835 IonicContact CZ-OD1 3.47Å; R598-D835 IonicContact NH1-OD1 3.6Å; R598-D835 PolarHBondContact NH1-OD1 2.98Å; R598-D835 IonicContact NH2-OD1 3.36Å; R598-D835 PolarHBondContact NH2-OD1 2.88Å; R598-L876 CarbonylContact O-C 3.55Å; R598-F877 HydrophobicContact CB-CB 4.1Å; R598-F877 HydrophobicContact CB-CD1 4.42Å; R598-F877 PolarHBondContact N-O 3.05Å; R598-F877 PolarHBondContact O-N 3.12Å |
| 599 | I | 93.5 | Very high | 85.4 | Confident | 62 Ų | 62 | 34.7 Ų | 34.7 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.1 | 169.4 | -51.6 | -180 | 0 | 0 | 0 | 106.2 | T553 I554 L597 I874 Q875 L876 | T553-I599 CarbonylContact C-O 3.53Å; T553-I599 VanDerWaalsContact CA-O 3.32Å; T553-I599 WeakPolarHBondContact CA-O 3.36Å; I554-I599 HydrophobicContact CB-CB 4.31Å; I554-I599 PolarHBondContact N-O 3.16Å; I554-I599 PolarHBondContact O-N 3.06Å; L597-I599 HydrophobicContact CD2-CD1 4.48Å; L597-I599 HydrophobicContact CD2-CG1 4.07Å; I599-I874 HydrophobicContact CG2-CG2 4.36Å; I599-Q875 WeakPolarHBondContact CA-O 3.24Å; I599-L876 HydrophobicContact CB-CD2 4.3Å; I599-L876 HydrophobicContact CD1-CD2 4.16Å; I599-L876 HydrophobicContact CG1-CD1 4.47Å; I599-L876 HydrophobicContact CG1-CD2 3.86Å; I599-L876 HydrophobicContact CG1-CG 4.22Å; I599-L876 HydrophobicContact CG2-CD2 3.87Å |
| 600 | Q | 92.7 | Very high | 85.7 | Confident | 39 Ų | 39 | 29.5 Ų | 29.5 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.1 | -179.2 | -175.4 | 172.9 | 14 | 0 | 0 | 110.1 | V552 Q875 | V552-Q600 CarbonylContact O-C 3.35Å; V552-Q600 VanDerWaalsContact O-CA 3.28Å; V552-Q600 WeakPolarHBondContact O-CA 3.27Å; Q600-Q875 HydrophobicContact CB-CB 4.4Å; Q600-Q875 PolarHBondContact N-O 3.24Å; Q600-Q875 PolarHBondContact O-N 3.27Å |
| 601 | S | 91 | Very high | 85.5 | Confident | 8.66667 Ų | 8.66667 | 30.9 Ų | 30.9 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 152.6 | 171.4 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | D551 V552 I604 G873 | D551-S601 WeakPolarHBondContact CA-O 3.33Å; V552-S601 PolarHBondContact N-O 3.18Å; V552-S601 PolarHBondContact O-N 3.26Å; V552-S601 VanDerWaalsContact O-O 3.12Å; S601-I604 VanDerWaalsContact OG-CG1 3.26Å; S601-I604 WeakPolarHBondContact OG-CG1 3.41Å; S601-G873 WeakPolarHBondContact CB-O 3.26Å; S601-G873 PolarHBondContact OG-O 3.38Å |
| 602 | R | 85.3 | Confident | 85 | Confident | 101 Ų | 101 | 30.8 Ų | 30.8 | 38% | 0.381 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -120.1 | 137.3 | 176.9 | -60.4 | -174.1 | 175.6 | 172.2 | -0 | 109.6 | D551 I604 T870 D871 H872 | D551-R602 WeakPolarHBondContact OD1-CA 3.46Å; D551-R602 VanDerWaalsContact OD1-CB 3.3Å; D551-R602 WeakPolarHBondContact OD1-CB 3.48Å; D551-R602 WeakPolarHBondContact OD1-CD 3.36Å; D551-R602 WeakPolarHBondContact OD1-CG 3.49Å; R602-I604 PolarHBondContact O-N 3.22Å; R602-T870 PolarHBondContact O-OG1 3.32Å; R602-D871 PolarHBondContact O-N 3.02Å; R602-H872 HydrophobicContact CB-CB 4.05Å; R602-H872 VanDerWaalsContact CB-CD2 3.48Å; R602-H872 WeakPolarHBondContact CB-CD2 3.44Å; R602-H872 WeakPolarHBondContact CD-CD2 3.43Å; R602-H872 HydrophobicContact CG-CB 4.45Å |
| 603 | K | 83.3 | Confident | 84.4 | Confident | 29.6667 Ų | 29.6667 | 33.9 Ų | 33.9 | 13% | 0.129 | 17% | 0.171 | C | C | . | . | trans | 44.9 | 78 | 176.5 | -63 | -179.5 | -178.8 | 172.9 | 0 | 112.8 | V549 G550 F672 L673 D675 D676 W869 T870 D871 | V549-K603 CarbonylContact O-C 3.53Å; V549-K603 VanDerWaalsContact O-CA 3.23Å; V549-K603 WeakPolarHBondContact O-CA 3.39Å; G550-K603 PolarHBondContact O-N 3.33Å; G550-K603 VanDerWaalsContact O-N 3.09Å; K603-F672 HydrophobicContact CB-CE1 4.07Å; K603-F672 WeakPolarHBondContact CE-O 3.5Å; K603-F672 HydrophobicContact CG-CE1 4.34Å; K603-F672 HydrophobicContact CG-CZ 4.43Å; K603-L673 HydrophobicContact CB-CD2 3.83Å; K603-L673 HydrophobicContact CD-CD2 4.07Å; K603-L673 HydrophobicContact CG-CD2 4.43Å; K603-L673 PolarHBondContact NZ-O 2.84Å; K603-L673 WeakPolarHBondContact O-CD2 3.49Å; K603-D675 WeakPolarHBondContact CE-O 3.31Å; K603-D675 PolarHBondContact NZ-O 2.83Å; K603-D676 WeakPolarHBondContact CE-OD1 3.28Å; K603-D676 WeakPolarHBondContact CE-OD2 3.48Å; K603-D676 VanDerWaalsContact NZ-CG 3.25Å; K603-D676 IonicContact NZ-OD1 2.94Å; K603-D676 PolarHBondContact NZ-OD1 3.4Å; K603-D676 IonicContact NZ-OD2 2.66Å; K603-D676 PolarHBondContact NZ-OD2 3.02Å; K603-W869 HydrophobicContact CB-CZ3 4.49Å; K603-T870 WeakPolarHBondContact O-CA 3.24Å; K603-D871 HydrophobicContact CB-CB 3.85Å; K603-D871 WeakPolarHBondContact CB-OD1 3.42Å; K603-D871 HydrophobicContact CD-CB 4.33Å; K603-D871 WeakPolarHBondContact CD-OD2 3.29Å; K603-D871 HydrophobicContact CG-CB 4.45Å; K603-D871 IonicContact NZ-OD2 3.97Å; K603-D871 PolarHBondContact NZ-OD2 3.13Å; K603-D871 PolarHBondContact O-N 3.18Å | ||
| 604 | I | 88 | Confident | 83.7 | Confident | 30.3333 Ų | 30.3333 | 38.7 Ų | 38.7 | 16% | 0.156 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127 | 173 | -54.3 | 169.9 | 0 | 0 | 0 | 108.5 | L548 V549 V552 S601 R602 L606 L868 W869 T870 | L548-I604 CarbonylContact C-O 3.56Å; L548-I604 WeakPolarHBondContact CA-O 3.3Å; V549-I604 HydrophobicContact CB-CB 4.17Å; V549-I604 PolarHBondContact N-O 2.97Å; V549-I604 PolarHBondContact O-N 3.09Å; V552-I604 HydrophobicContact CG2-CD1 4.2Å; S601-I604 VanDerWaalsContact OG-CG1 3.26Å; S601-I604 WeakPolarHBondContact OG-CG1 3.41Å; R602-I604 PolarHBondContact O-N 3.22Å; I604-L606 HydrophobicContact CG2-CD1 4.46Å; I604-L606 HydrophobicContact CG2-CG 4.31Å; I604-L868 HydrophobicContact CG2-CD1 3.48Å; I604-L868 VanDerWaalsContact CG2-CD1 3.46Å; I604-W869 CarbonylContact C-O 3.56Å; I604-W869 WeakPolarHBondContact CA-O 3.48Å; I604-T870 HydrophobicContact CG1-CG2 4.14Å; I604-T870 HydrophobicContact CG2-CG2 4.35Å |
| 605 | C | 86.8 | Confident | 82.9 | Confident | 1.33333 Ų | 1.33333 | 44.5 Ų | 44.5 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.6 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | L547 L548 L673 L868 W869 | L547-C605 CarbonylContact O-C 3.52Å; L547-C605 WeakPolarHBondContact O-CA 3.39Å; L548-C605 HydrophobicContact CD1-CB 4.05Å; L548-C605 HydrophobicContact CD2-CB 4Å; C605-L673 HydrophobicContact CB-CD1 3.84Å; C605-L673 HydrophobicContact CB-CD2 4.32Å; C605-L868 CarbonylContact O-C 3.47Å; C605-L868 WeakPolarHBondContact O-CA 3.45Å; C605-W869 HydrophobicContact CB-CB 4.41Å; C605-W869 HydrophobicContact CB-CE3 4.2Å; C605-W869 PolarHBondContact N-O 3.26Å; C605-W869 PolarHBondContact O-N 2.91Å |
| 606 | L | 87.8 | Confident | 82.1 | Confident | 61.3333 Ų | 61.3333 | 49 Ų | 49 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.2 | 169.5 | -75.9 | 166.4 | 0 | 0 | 0 | 108.4 | T546 L547 I604 G867 L868 | T546-L606 CarbonylContact C-O 3.44Å; T546-L606 WeakPolarHBondContact CA-O 3.19Å; L547-L606 HydrophobicContact CB-CB 4.05Å; L547-L606 HydrophobicContact CD2-CD1 3.86Å; L547-L606 PolarHBondContact N-O 3.39Å; L547-L606 PolarHBondContact O-N 3.46Å; I604-L606 HydrophobicContact CG2-CD1 4.46Å; I604-L606 HydrophobicContact CG2-CG 4.31Å; L606-G867 CarbonylContact C-O 3.56Å; L606-G867 VanDerWaalsContact CA-O 3.27Å; L606-G867 WeakPolarHBondContact CA-O 3.24Å; L606-L868 HydrophobicContact CD2-CB 3.8Å; L606-L868 HydrophobicContact CD2-CD1 3.57Å; L606-L868 VanDerWaalsContact CD2-CD1 3.47Å; L606-L868 HydrophobicContact CD2-CG 4.24Å; L606-L868 HydrophobicContact CG-CD1 4Å |
| 607 | F | 83.7 | Confident | 81.4 | Confident | 8.66667 Ų | 8.66667 | 49.5 Ų | 49.5 | 4% | 0.038 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 153.9 | 171.6 | 74.6 | -96.7 | 0 | 0 | 0 | 111 | C545 T546 F855 L856 L861 D865 V866 G867 | C545-F607 CarbonylContact O-C 3.54Å; C545-F607 VanDerWaalsContact O-CA 3.27Å; C545-F607 WeakPolarHBondContact O-CA 3.23Å; T546-F607 HydrophobicContact CG2-CB 4.47Å; F607-F855 HydrophobicContact CD1-CD1 4.37Å; F607-F855 HydrophobicContact CD1-CE1 4.19Å; F607-F855 AromaticContact CE1-CD1 3.83Å; F607-F855 HydrophobicContact CE1-CD1 3.83Å; F607-F855 AromaticContact CE1-CE1 3.45Å; F607-F855 HydrophobicContact CE1-CE1 3.45Å; F607-F855 VanDerWaalsContact CE1-CE1 3.43Å; F607-F855 HydrophobicContact CE1-CZ 4.35Å; F607-F855 HydrophobicContact CZ-CE1 4.33Å; F607-L856 HydrophobicContact CB-CD2 4.05Å; F607-L856 HydrophobicContact CD1-CD2 3.35Å; F607-L856 HydrophobicContact CE1-CD2 3.65Å; F607-L856 HydrophobicContact CG-CD2 4.08Å; F607-L856 HydrophobicContact CZ-CD2 4.47Å; F607-L861 HydrophobicContact CE2-CD1 3.9Å; F607-L861 HydrophobicContact CE2-CD2 4.13Å; F607-L861 HydrophobicContact CZ-CD1 3.87Å; F607-L861 HydrophobicContact CZ-CD2 4.01Å; F607-D865 HydrophobicContact CE2-CB 4.24Å; F607-V866 CarbonylContact O-C 3.53Å; F607-V866 VanDerWaalsContact O-CA 3.27Å; F607-V866 WeakPolarHBondContact O-CA 3.45Å; F607-G867 PolarHBondContact N-O 2.9Å; F607-G867 PolarHBondContact O-N 3Å |
| 608 | S | 83.3 | Confident | 80.7 | Confident | 33.3333 Ų | 33.3333 | 54.1 Ų | 54.1 | 23% | 0.233 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 130.5 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | G544 C545 D865 | G544-S608 CarbonylContact C-O 3.58Å; G544-S608 WeakPolarHBondContact CA-O 3.18Å; C545-S608 PolarHBondContact N-O 3.17Å; C545-S608 PolarHBondContact O-N 2.92Å; S608-D865 CarbonylContact C-O 3.51Å; S608-D865 VanDerWaalsContact CA-O 3.28Å; S608-D865 WeakPolarHBondContact CA-O 3.19Å |
| 609 | N | 76.4 | Confident | 80 | Confident | 6.66667 Ų | 6.66667 | 54.3 Ų | 54.3 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.5 | 175.5 | -41.3 | 3.3 | 0 | 0 | 0 | 110.9 | H537 S862 G864 D865 | H537-N609 PolarHBondContact CD2-OD1 3.33Å; H537-N609 PolarHBondContact NE2-OD1 3.11Å; N609-S862 PolarHBondContact ND2-O 2.78Å; N609-S862 PolarHBondContact OD1-O 2.86Å; N609-S862 VanDerWaalsContact OD1-O 3.1Å; N609-G864 CarbonylContact O-C 3.54Å; N609-G864 WeakPolarHBondContact O-CA 3.36Å; N609-G864 PolarHBondContact O-N 2.83Å; N609-G864 PolarHBondContact OD1-N 3.45Å; N609-D865 PolarHBondContact N-O 3.16Å; N609-D865 PolarHBondContact O-N 3.14Å; N609-D865 PolarHBondContact OD1-N 2.96Å |
| 610 | N | 70.8 | Confident | 79.5 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | trans | -82.6 | 169 | 172.1 | -72.5 | 3.9 | 0 | 0 | 0 | 111 | N543 F612 | N543-N610 HydrophobicContact CB-CB 4.17Å; N543-N610 VanDerWaalsContact O-CB 3.25Å; N543-N610 WeakPolarHBondContact O-CB 3.32Å; N543-N610 PolarHBondContact O-N 3.23Å; N610-F612 PolarHBondContact O-N 3.16Å | ||
| 611 | C | 64.4 | Low | 79 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | trans | -61.4 | 137.6 | -179.5 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | D613 C863 G864 | C611-D613 PolarHBondContact O-N 2.86Å; C611-C863 VanDerWaalsContact C-SG 3.57Å; C611-C863 VanDerWaalsContact CA-CB 3.49Å; C611-C863 WeakPolarHBondContact CA-SG 3.48Å; C611-C863 HydrophobicContact CB-CB 3.54Å; C611-C863 WeakPolarHBondContact CB-SG 3.31Å; C611-C863 WeakPolarHBondContact SG-CB 3.36Å; C611-C863 CovalentContact SG-SG 2.04Å; C611-C863 PolarHBondContact SG-SG 2.72Å; C611-G864 PolarHBondContact SG-N 2.83Å | ||
| 612 | F | 66.2 | Low | 78.6 | Confident | 65.3333 Ų | 65.3333 | 56 Ų | 56 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | trans | -82.9 | 117.6 | 179.7 | -176.8 | -126.5 | 0 | 0 | 0 | 111 | R542 N610 E614 S617 C863 | R542-F612 HydrophobicContact CG-CD2 3.59Å; R542-F612 HydrophobicContact CG-CE2 4.24Å; R542-F612 HydrophobicContact CG-CG 4.47Å; R542-F612 VanDerWaalsContact NE-CE2 3.27Å; R542-F612 VanDerWaalsContact NE-CG 3.28Å; R542-F612 VanDerWaalsContact NH2-CG 3.31Å; N610-F612 PolarHBondContact O-N 3.16Å; F612-E614 HydrophobicContact CD1-CG 4.12Å; F612-E614 HydrophobicContact CE1-CB 4.44Å; F612-E614 HydrophobicContact CE1-CG 3.42Å; F612-E614 VanDerWaalsContact CE1-CG 3.42Å; F612-E614 HydrophobicContact CZ-CG 4Å; F612-S617 VanDerWaalsContact CE2-CB 3.46Å; F612-S617 WeakPolarHBondContact CE2-OG 3.39Å; F612-C863 HydrophobicContact CB-CB 4.22Å; F612-C863 PolarHBondContact N-SG 2.83Å | ||
| 613 | D | 69.8 | Low | 78.6 | Confident | 65.6667 Ų | 65.6667 | 52.2 Ų | 52.2 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | trans | -103.5 | 111.5 | 166.5 | -175.4 | -23.9 | 0 | 0 | 0 | 108.5 | C611 N615 K616 S617 | C611-D613 PolarHBondContact O-N 2.86Å; D613-N615 VanDerWaalsContact C-N 3.25Å; D613-N615 PolarHBondContact O-N 3.24Å; D613-N615 WeakPolarHBondContact OD1-CB 3.31Å; D613-N615 PolarHBondContact OD1-N 2.99Å; D613-K616 HydrophobicContact CB-CB 4.03Å; D613-K616 HydrophobicContact CB-CD 4.09Å; D613-K616 HydrophobicContact CB-CG 4.06Å; D613-K616 PolarHBondContact O-N 3.22Å; D613-K616 PolarHBondContact OD1-N 3.27Å; D613-K616 VanDerWaalsContact OD1-N 3.14Å; D613-K616 WeakPolarHBondContact OD2-CD 3.43Å; D613-K616 WeakPolarHBondContact OD2-CE 3.24Å; D613-K616 WeakPolarHBondContact OD2-CG 3.38Å; D613-S617 VanDerWaalsContact O-CB 3.27Å; D613-S617 WeakPolarHBondContact O-CB 3.38Å; D613-S617 PolarHBondContact O-N 2.96Å | ||
| 614 | E | 73.7 | Confident | 78.8 | Confident | 107.667 Ų | 107.667 | 50.9 Ų | 50.9 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.6 | -35.6 | 179.9 | -89.1 | -161.2 | -167.3 | 0 | 0 | 112.9 | F612 K618 | F612-E614 HydrophobicContact CD1-CG 4.12Å; F612-E614 HydrophobicContact CE1-CB 4.44Å; F612-E614 HydrophobicContact CE1-CG 3.42Å; F612-E614 VanDerWaalsContact CE1-CG 3.42Å; F612-E614 HydrophobicContact CZ-CG 4Å; E614-K618 WeakPolarHBondContact O-CB 3.41Å; E614-K618 WeakPolarHBondContact O-CD 3.47Å; E614-K618 VanDerWaalsContact O-CG 3.26Å; E614-K618 WeakPolarHBondContact O-CG 3.3Å; E614-K618 PolarHBondContact O-N 3.01Å; E614-K618 WeakPolarHBondContact OE2-CE 3.36Å; E614-K618 IonicContact OE2-NZ 2.85Å; E614-K618 PolarHBondContact OE2-NZ 3.15Å |
| 615 | N | 74.3 | Confident | 78.7 | Confident | 120.333 Ų | 120.333 | 51.8 Ų | 51.8 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74 | -45 | -175.4 | -66.5 | -28.2 | 0 | 0 | 0 | 110 | D613 S617 K618 A619 | D613-N615 VanDerWaalsContact C-N 3.25Å; D613-N615 PolarHBondContact O-N 3.24Å; D613-N615 WeakPolarHBondContact OD1-CB 3.31Å; D613-N615 PolarHBondContact OD1-N 2.99Å; N615-S617 VanDerWaalsContact C-N 3.34Å; N615-S617 PolarHBondContact O-N 2.95Å; N615-K618 PolarHBondContact O-N 3.06Å; N615-A619 WeakPolarHBondContact O-CB 3.39Å; N615-A619 PolarHBondContact O-N 3.04Å |
| 616 | K | 73 | Confident | 78.6 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 173.4 | -66 | -174.5 | -177.8 | -153.3 | 0 | 112 | E498 D613 A619 A620 | E498-K616 IonicContact OE1-NZ 2.72Å; E498-K616 IonicContact OE2-NZ 3.49Å; E498-K616 PolarHBondContact OE2-NZ 3.07Å; D613-K616 HydrophobicContact CB-CB 4.03Å; D613-K616 HydrophobicContact CB-CD 4.09Å; D613-K616 HydrophobicContact CB-CG 4.06Å; D613-K616 PolarHBondContact O-N 3.22Å; D613-K616 PolarHBondContact OD1-N 3.27Å; D613-K616 VanDerWaalsContact OD1-N 3.14Å; D613-K616 WeakPolarHBondContact OD2-CD 3.43Å; D613-K616 WeakPolarHBondContact OD2-CE 3.24Å; D613-K616 WeakPolarHBondContact OD2-CG 3.38Å; K616-A619 PolarHBondContact O-N 3.03Å; K616-A620 VanDerWaalsContact O-CB 3.31Å; K616-A620 WeakPolarHBondContact O-CB 3.34Å; K616-A620 PolarHBondContact O-N 3.22Å |
| 617 | S | 76.9 | Confident | 78.5 | Confident | 9.66667 Ų | 9.66667 | 53.7 Ų | 53.7 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.9 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | I540 F612 D613 N615 S621 | I540-S617 WeakPolarHBondContact O-CA 3.35Å; I540-S617 WeakPolarHBondContact O-CB 3.27Å; I540-S617 PolarHBondContact O-OG 2.87Å; F612-S617 VanDerWaalsContact CE2-CB 3.46Å; F612-S617 WeakPolarHBondContact CE2-OG 3.39Å; D613-S617 VanDerWaalsContact O-CB 3.27Å; D613-S617 WeakPolarHBondContact O-CB 3.38Å; D613-S617 PolarHBondContact O-N 2.96Å; N615-S617 VanDerWaalsContact C-N 3.34Å; N615-S617 PolarHBondContact O-N 2.95Å; S617-S621 VanDerWaalsContact O-CB 3.3Å; S617-S621 WeakPolarHBondContact O-CB 3.33Å; S617-S621 PolarHBondContact O-N 3.15Å |
| 618 | K | 80 | Confident | 78.7 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.1 | -73.4 | 167.1 | -169.1 | 159 | 0 | 111.6 | E614 N615 S621 N622 | E614-K618 WeakPolarHBondContact O-CB 3.41Å; E614-K618 WeakPolarHBondContact O-CD 3.47Å; E614-K618 VanDerWaalsContact O-CG 3.26Å; E614-K618 WeakPolarHBondContact O-CG 3.3Å; E614-K618 PolarHBondContact O-N 3.01Å; E614-K618 WeakPolarHBondContact OE2-CE 3.36Å; E614-K618 IonicContact OE2-NZ 2.85Å; E614-K618 PolarHBondContact OE2-NZ 3.15Å; N615-K618 PolarHBondContact O-N 3.06Å; K618-S621 PolarHBondContact O-N 3.15Å; K618-N622 WeakPolarHBondContact O-CB 3.39Å; K618-N622 VanDerWaalsContact O-CG 3.23Å; K618-N622 PolarHBondContact O-N 3.1Å; K618-N622 PolarHBondContact O-ND2 2.99Å |
| 619 | A | 79.6 | Confident | 78.8 | Confident | 35 Ų | 35 | 58 Ų | 58 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -53 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N615 K616 S621 N622 F623 | N615-A619 WeakPolarHBondContact O-CB 3.39Å; N615-A619 PolarHBondContact O-N 3.04Å; K616-A619 PolarHBondContact O-N 3.03Å; A619-S621 VanDerWaalsContact C-N 3.33Å; A619-S621 PolarHBondContact O-N 2.95Å; A619-N622 PolarHBondContact O-N 3.38Å; A619-F623 WeakPolarHBondContact O-CB 3.35Å; A619-F623 PolarHBondContact O-N 3.07Å |
| 620 | A | 81.5 | Confident | 79 | Confident | 4.33333 Ų | 4.33333 | 62.4 Ų | 62.4 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I540 K616 F623 L624 | I540-A620 HydrophobicContact CG2-CB 4.07Å; K616-A620 VanDerWaalsContact O-CB 3.31Å; K616-A620 WeakPolarHBondContact O-CB 3.34Å; K616-A620 PolarHBondContact O-N 3.22Å; A620-F623 PolarHBondContact O-N 2.86Å; A620-L624 WeakPolarHBondContact O-CB 3.36Å; A620-L624 VanDerWaalsContact O-CG 3.25Å; A620-L624 WeakPolarHBondContact O-CG 3.3Å; A620-L624 PolarHBondContact O-N 3.12Å |
| 621 | S | 82.5 | Confident | 79.5 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 112 | S617 K618 A619 T625 | S617-S621 VanDerWaalsContact O-CB 3.3Å; S617-S621 WeakPolarHBondContact O-CB 3.33Å; S617-S621 PolarHBondContact O-N 3.15Å; K618-S621 PolarHBondContact O-N 3.15Å; A619-S621 VanDerWaalsContact C-N 3.33Å; A619-S621 PolarHBondContact O-N 2.95Å; S621-T625 VanDerWaalsContact O-CB 3.29Å; S621-T625 WeakPolarHBondContact O-CB 3.34Å; S621-T625 PolarHBondContact O-N 3.29Å; S621-T625 PolarHBondContact O-OG1 3.14Å |
| 622 | N | 83.8 | Confident | 80.4 | Confident | 108.667 Ų | 108.667 | 64.9 Ų | 64.9 | 58% | 0.581 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 178.6 | -69.7 | -16.8 | 0 | 0 | 0 | 111.2 | K618 A619 T625 F626 | K618-N622 WeakPolarHBondContact O-CB 3.39Å; K618-N622 VanDerWaalsContact O-CG 3.23Å; K618-N622 PolarHBondContact O-N 3.1Å; K618-N622 PolarHBondContact O-ND2 2.99Å; A619-N622 PolarHBondContact O-N 3.38Å; N622-T625 PolarHBondContact O-N 2.73Å; N622-F626 VanDerWaalsContact O-CB 3.29Å; N622-F626 WeakPolarHBondContact O-CB 3.39Å; N622-F626 PolarHBondContact O-N 3.37Å |
| 623 | F | 85.4 | Confident | 81.1 | Confident | 20.6667 Ų | 20.6667 | 63.9 Ų | 63.9 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -53.1 | 177.4 | 176.4 | -98.5 | 0 | 0 | 0 | 112 | I424 P495 E499 R500 A619 A620 T625 F626 H627 | I424-F623 HydrophobicContact CG2-CE2 4.2Å; I424-F623 HydrophobicContact CG2-CZ 3.82Å; P495-F623 HydrophobicContact CB-CD2 3.94Å; P495-F623 HydrophobicContact CB-CE2 3.71Å; P495-F623 HydrophobicContact CB-CZ 4.07Å; P495-F623 HydrophobicContact CG-CD2 4.5Å; P495-F623 HydrophobicContact CG-CE2 3.81Å; E499-F623 HydrophobicContact CB-CB 4.32Å; E499-F623 HydrophobicContact CB-CD1 4.05Å; E499-F623 HydrophobicContact CB-CG 4.09Å; E499-F623 WeakPolarHBondContact O-CD1 3.3Å; R500-F623 HydrophobicContact CG-CE1 4.41Å; A619-F623 WeakPolarHBondContact O-CB 3.35Å; A619-F623 PolarHBondContact O-N 3.07Å; A620-F623 PolarHBondContact O-N 2.86Å; F623-T625 PolarHBondContact O-N 2.87Å; F623-F626 PolarHBondContact O-N 2.96Å; F623-H627 AromaticContact CD2-CD2 3.54Å; F623-H627 VanDerWaalsContact CD2-CD2 3.44Å; F623-H627 WeakPolarHBondContact CD2-CD2 3.48Å; F623-H627 AromaticContact CD2-NE2 3.8Å; F623-H627 AromaticContact CE2-CD2 3.27Å; F623-H627 WeakPolarHBondContact CE2-CD2 3.34Å; F623-H627 AromaticContact CE2-NE2 3.38Å; F623-H627 VanDerWaalsContact CE2-NE2 3.33Å; F623-H627 WeakPolarHBondContact CE2-NE2 3.38Å; F623-H627 AromaticContact CZ-CD2 3.66Å; F623-H627 AromaticContact CZ-NE2 3.96Å; F623-H627 PolarHBondContact O-CD2 3.19Å; F623-H627 VanDerWaalsContact O-CD2 3.31Å; F623-H627 PolarHBondContact O-N 3.09Å; F623-H627 VanDerWaalsContact O-N 3.08Å |
| 624 | L | 86.3 | Confident | 81.6 | Confident | 3.33333 Ų | 3.33333 | 60.8 Ų | 60.8 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 180 | -67 | 175.1 | 0 | 0 | 0 | 112 | Y426 I540 A620 F626 H627 D628 L634 V637 | Y426-L624 HydrophobicContact CD2-CD2 4.36Å; Y426-L624 VanDerWaalsContact O-CD2 3.3Å; Y426-L624 WeakPolarHBondContact O-CD2 3.3Å; I540-L624 HydrophobicContact CG2-CD1 3.95Å; A620-L624 WeakPolarHBondContact O-CB 3.36Å; A620-L624 VanDerWaalsContact O-CG 3.25Å; A620-L624 WeakPolarHBondContact O-CG 3.3Å; A620-L624 PolarHBondContact O-N 3.12Å; L624-F626 VanDerWaalsContact C-N 3.3Å; L624-F626 PolarHBondContact O-N 3.17Å; L624-H627 PolarHBondContact O-N 3.03Å; L624-D628 VanDerWaalsContact O-CB 3.24Å; L624-D628 WeakPolarHBondContact O-CB 3.31Å; L624-D628 PolarHBondContact O-N 3.22Å; L624-L634 HydrophobicContact CD2-CD1 4.08Å; L624-V637 HydrophobicContact CB-CG1 4.14Å; L624-V637 HydrophobicContact CB-CG2 4.3Å; L624-V637 HydrophobicContact CD1-CG2 4.37Å |
| 625 | T | 86 | Confident | 81.7 | Confident | 49.3333 Ų | 49.3333 | 58.4 Ų | 58.4 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 178.5 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | S621 N622 F623 Y629 V637 | S621-T625 VanDerWaalsContact O-CB 3.29Å; S621-T625 WeakPolarHBondContact O-CB 3.34Å; S621-T625 PolarHBondContact O-N 3.29Å; S621-T625 PolarHBondContact O-OG1 3.14Å; N622-T625 PolarHBondContact O-N 2.73Å; F623-T625 PolarHBondContact O-N 2.87Å; T625-Y629 WeakPolarHBondContact O-CB 3.32Å; T625-Y629 PolarHBondContact O-N 3.15Å; T625-V637 WeakPolarHBondContact OG1-CG1 3.34Å |
| 626 | F | 86.1 | Confident | 81.7 | Confident | 90.6667 Ų | 90.6667 | 53.2 Ų | 53.2 | 40% | 0.398 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 178.9 | 179.4 | -101.7 | 0 | 0 | 0 | 112.1 | R415 L492 N622 F623 L624 | R415-F626 HydrophobicContact CB-CE1 4.15Å; R415-F626 HydrophobicContact CB-CZ 4.33Å; R415-F626 WeakPolarHBondContact CD-O 3.42Å; R415-F626 HydrophobicContact CG-CE1 4.02Å; R415-F626 HydrophobicContact CG-CE2 4.36Å; R415-F626 HydrophobicContact CG-CZ 3.83Å; R415-F626 WeakPolarHBondContact O-CE1 3.49Å; L492-F626 HydrophobicContact CD2-CZ 4.45Å; N622-F626 VanDerWaalsContact O-CB 3.29Å; N622-F626 WeakPolarHBondContact O-CB 3.39Å; N622-F626 PolarHBondContact O-N 3.37Å; F623-F626 PolarHBondContact O-N 2.96Å; L624-F626 VanDerWaalsContact C-N 3.3Å; L624-F626 PolarHBondContact O-N 3.17Å |
| 627 | H | 85.5 | Confident | 82 | Confident | 11.3333 Ų | 11.3333 | 49.3 Ų | 49.3 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -80.7 | -31.3 | -174.1 | -75.7 | -65.2 | 0 | 0 | 0 | 114.6 | S413 R415 Y426 F623 L624 Y629 | S413-H627 WeakPolarHBondContact CB-ND1 3.37Å; S413-H627 WeakPolarHBondContact CB-O 3.38Å; S413-H627 PolarHBondContact OG-ND1 3.4Å; S413-H627 PolarHBondContact OG-O 3.13Å; S413-H627 VanDerWaalsContact OG-O 3.13Å; R415-H627 PolarHBondContact O-CE1 2.94Å; R415-H627 VanDerWaalsContact O-CE1 3.29Å; Y426-H627 HydrophobicContact CD1-CB 4Å; Y426-H627 HydrophobicContact CG-CB 3.88Å; F623-H627 AromaticContact CD2-CD2 3.54Å; F623-H627 VanDerWaalsContact CD2-CD2 3.44Å; F623-H627 WeakPolarHBondContact CD2-CD2 3.48Å; F623-H627 AromaticContact CD2-NE2 3.8Å; F623-H627 AromaticContact CE2-CD2 3.27Å; F623-H627 WeakPolarHBondContact CE2-CD2 3.34Å; F623-H627 AromaticContact CE2-NE2 3.38Å; F623-H627 VanDerWaalsContact CE2-NE2 3.33Å; F623-H627 WeakPolarHBondContact CE2-NE2 3.38Å; F623-H627 AromaticContact CZ-CD2 3.66Å; F623-H627 AromaticContact CZ-NE2 3.96Å; F623-H627 PolarHBondContact O-CD2 3.19Å; F623-H627 VanDerWaalsContact O-CD2 3.31Å; F623-H627 PolarHBondContact O-N 3.09Å; F623-H627 VanDerWaalsContact O-N 3.08Å; L624-H627 PolarHBondContact O-N 3.03Å; H627-Y629 VanDerWaalsContact C-N 3.34Å |
| 628 | D | 87.4 | Confident | 82 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -2.2 | 179.1 | -167.4 | 53.2 | 0 | 0 | 0 | 113.4 | Y426 L624 D630 N631 Q632 R633 L634 H638 | Y426-D628 HydrophobicContact CD2-CB 4.31Å; Y426-D628 HydrophobicContact CE2-CB 3.67Å; Y426-D628 VanDerWaalsContact CE2-OD1 3.3Å; Y426-D628 WeakPolarHBondContact CE2-OD1 3.43Å; Y426-D628 VanDerWaalsContact CZ-OD1 3.32Å; Y426-D628 PolarHBondContact OH-OD1 3.26Å; Y426-D628 VanDerWaalsContact OH-OD1 3.09Å; L624-D628 VanDerWaalsContact O-CB 3.24Å; L624-D628 WeakPolarHBondContact O-CB 3.31Å; L624-D628 PolarHBondContact O-N 3.22Å; D628-D630 VanDerWaalsContact C-N 3.3Å; D628-D630 PolarHBondContact O-N 2.76Å; D628-N631 PolarHBondContact O-N 2.85Å; D628-Q632 WeakPolarHBondContact O-CA 3.24Å; D628-Q632 PolarHBondContact O-N 2.89Å; D628-Q632 VanDerWaalsContact OD2-C 3.31Å; D628-Q632 VanDerWaalsContact OD2-CA 3.28Å; D628-Q632 WeakPolarHBondContact OD2-CA 3.41Å; D628-R633 PolarHBondContact OD1-N 3.06Å; D628-R633 VanDerWaalsContact OD1-N 3.09Å; D628-R633 PolarHBondContact OD2-N 2.96Å; D628-R633 VanDerWaalsContact OD2-N 3.09Å; D628-L634 WeakPolarHBondContact OD2-CB 3.06Å; D628-L634 PolarHBondContact OD2-N 3.09Å; D628-H638 IonicContact OD2-CD2 2.99Å; D628-H638 IonicContact OD2-NE2 3.12Å; D628-H638 PolarHBondContact OD2-NE2 3.11Å; D628-H638 VanDerWaalsContact OD2-NE2 3.08Å |
| 629 | Y | 85 | Confident | 81.5 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 52% | 0.522 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -41 | -173.5 | -175.4 | -88 | 0 | 0 | 0 | 114.4 | T625 H627 Q632 | T625-Y629 WeakPolarHBondContact O-CB 3.32Å; T625-Y629 PolarHBondContact O-N 3.15Å; H627-Y629 VanDerWaalsContact C-N 3.34Å; Y629-Q632 VanDerWaalsContact O-CG 3.3Å; Y629-Q632 WeakPolarHBondContact O-CG 3.08Å |
| 630 | D | 81.4 | Confident | 80.7 | Confident | 99.3333 Ų | 99.3333 | 52.3 Ų | 52.3 | 53% | 0.531 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -31.9 | -173.2 | -60.8 | -42.8 | 0 | 0 | 0 | 112.8 | R415 D628 | R415-D630 IonicContact CZ-OD1 2.75Å; R415-D630 IonicContact NH1-OD1 3.55Å; R415-D630 PolarHBondContact NH1-OD1 3.13Å; R415-D630 IonicContact NH1-OD2 2.81Å; R415-D630 PolarHBondContact NH1-OD2 3.01Å; D628-D630 VanDerWaalsContact C-N 3.3Å; D628-D630 PolarHBondContact O-N 2.76Å |
| 631 | N | 80.6 | Confident | 79.6 | Confident | 83.3333 Ų | 83.3333 | 62 Ų | 62 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -22.8 | -175.7 | -63.7 | -58.8 | 0 | 0 | 0 | 113.8 | D628 R633 | D628-N631 PolarHBondContact O-N 2.85Å; N631-R633 HydrophobicContact CB-CG 3.74Å; N631-R633 PolarHBondContact ND2-NH2 3.38Å; N631-R633 PolarHBondContact O-N 2.89Å; N631-R633 VanDerWaalsContact O-N 3.14Å |
| 632 | Q | 83.8 | Confident | 78 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | trans | 46.8 | 39.1 | -177.4 | -58 | -173.3 | -11.9 | 0 | 0 | 114 | D628 Y629 L634 | D628-Q632 WeakPolarHBondContact O-CA 3.24Å; D628-Q632 PolarHBondContact O-N 2.89Å; D628-Q632 VanDerWaalsContact OD2-C 3.31Å; D628-Q632 VanDerWaalsContact OD2-CA 3.28Å; D628-Q632 WeakPolarHBondContact OD2-CA 3.41Å; Y629-Q632 VanDerWaalsContact O-CG 3.3Å; Y629-Q632 WeakPolarHBondContact O-CG 3.08Å; Q632-L634 VanDerWaalsContact C-N 3.3Å; Q632-L634 PolarHBondContact O-N 2.92Å | ||
| 633 | R | 80.5 | Confident | 76.3 | Confident | 43.6667 Ų | 43.6667 | 68.1 Ų | 68.1 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | trans | -71.5 | -26.7 | -176.3 | -61.2 | -179.7 | -175.3 | 175.3 | 2.8 | 111.5 | G370 Y411 D628 N631 S635 T655 A656 | G370-R633 PolarHBondContact O-NH1 3.26Å; Y411-R633 HydrophobicContact CD2-CB 3.97Å; Y411-R633 HydrophobicContact CD2-CG 4.44Å; Y411-R633 HydrophobicContact CE2-CB 3.59Å; Y411-R633 HydrophobicContact CE2-CG 4.29Å; D628-R633 PolarHBondContact OD1-N 3.06Å; D628-R633 VanDerWaalsContact OD1-N 3.09Å; D628-R633 PolarHBondContact OD2-N 2.96Å; D628-R633 VanDerWaalsContact OD2-N 3.09Å; N631-R633 HydrophobicContact CB-CG 3.74Å; N631-R633 PolarHBondContact ND2-NH2 3.38Å; N631-R633 PolarHBondContact O-N 2.89Å; N631-R633 VanDerWaalsContact O-N 3.14Å; R633-S635 PolarHBondContact O-N 3.38Å; R633-T655 WeakPolarHBondContact O-CA 3.49Å; R633-A656 HydrophobicContact CB-CB 4.16Å; R633-A656 WeakPolarHBondContact O-CB 3.29Å; R633-A656 PolarHBondContact O-N 3.4Å; R633-A656 VanDerWaalsContact O-N 3.11Å | ||
| 634 | L | 80.6 | Confident | 74.4 | Confident | 1.33333 Ų | 1.33333 | 69.6 Ų | 69.6 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -97.5 | 71.2 | 175.9 | -55.6 | 179.1 | 0 | 0 | 0 | 109.9 | Y426 A427 Y501 L624 D628 Q632 F636 V637 H638 T655 | Y426-L634 HydrophobicContact CD2-CD1 4.24Å; Y426-L634 HydrophobicContact CE2-CD1 4.11Å; Y426-L634 HydrophobicContact CE2-CG 4.46Å; A427-L634 HydrophobicContact CB-CD1 4.17Å; A427-L634 HydrophobicContact CB-CD2 4.4Å; Y501-L634 HydrophobicContact CD1-CD1 4.45Å; Y501-L634 HydrophobicContact CD1-CD2 3.92Å; Y501-L634 HydrophobicContact CE1-CD2 4.24Å; Y501-L634 HydrophobicContact CG-CD1 4.38Å; L624-L634 HydrophobicContact CD2-CD1 4.08Å; D628-L634 WeakPolarHBondContact OD2-CB 3.06Å; D628-L634 PolarHBondContact OD2-N 3.09Å; Q632-L634 VanDerWaalsContact C-N 3.3Å; Q632-L634 PolarHBondContact O-N 2.92Å; L634-F636 HydrophobicContact CB-CD1 4.44Å; L634-F636 HydrophobicContact CB-CE1 3.95Å; L634-F636 HydrophobicContact CB-CZ 4.26Å; L634-F636 HydrophobicContact CD1-CZ 4.48Å; L634-F636 HydrophobicContact CD2-CE1 4.04Å; L634-F636 HydrophobicContact CD2-CZ 4.2Å; L634-F636 HydrophobicContact CG-CE1 4.41Å; L634-F636 PolarHBondContact O-N 3.24Å; L634-F636 VanDerWaalsContact O-N 3.09Å; L634-V637 HydrophobicContact CB-CB 4.37Å; L634-V637 HydrophobicContact CB-CG2 3.76Å; L634-V637 HydrophobicContact CD1-CG2 4.31Å; L634-V637 WeakPolarHBondContact O-CB 3.36Å; L634-V637 PolarHBondContact O-N 3.24Å; L634-H638 PolarHBondContact O-CD2 2.98Å; L634-T655 HydrophobicContact CD2-CG2 3.92Å |
| 635 | S | 75.2 | Confident | 72.4 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -53.3 | -32.7 | -173 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | R633 V637 H638 T639 K654 | R633-S635 PolarHBondContact O-N 3.38Å; S635-V637 VanDerWaalsContact C-N 3.25Å; S635-V637 PolarHBondContact O-N 3.3Å; S635-H638 PolarHBondContact O-N 3.22Å; S635-T639 PolarHBondContact O-N 3.04Å; S635-T639 VanDerWaalsContact O-N 3.13Å; S635-T639 PolarHBondContact O-OG1 3.05Å; S635-K654 PolarHBondContact OG-O 2.99Å |
| 636 | F | 75.2 | Confident | 70.8 | Confident | 12.3333 Ų | 12.3333 | 72.6 Ų | 72.6 | 5% | 0.054 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.6 | -20.7 | 177.5 | 68.4 | -90.3 | 0 | 0 | 0 | 114.1 | Y501 I540 L634 M648 K654 T655 | Y501-F636 HydrophobicContact CD1-CZ 4.37Å; Y501-F636 HydrophobicContact CD2-CE2 4.36Å; Y501-F636 AromaticContact CD2-CZ 3.84Å; Y501-F636 HydrophobicContact CD2-CZ 3.84Å; Y501-F636 HydrophobicContact CE1-CE1 4.41Å; Y501-F636 HydrophobicContact CE1-CZ 4.22Å; Y501-F636 HydrophobicContact CE2-CE1 4.35Å; Y501-F636 HydrophobicContact CE2-CE2 4.2Å; Y501-F636 AromaticContact CE2-CZ 3.52Å; Y501-F636 HydrophobicContact CE2-CZ 3.52Å; Y501-F636 HydrophobicContact CG-CZ 4.32Å; Y501-F636 AromaticContact CZ-CZ 3.73Å; I540-F636 HydrophobicContact CG1-CE2 4.37Å; L634-F636 HydrophobicContact CB-CD1 4.44Å; L634-F636 HydrophobicContact CB-CE1 3.95Å; L634-F636 HydrophobicContact CB-CZ 4.26Å; L634-F636 HydrophobicContact CD1-CZ 4.48Å; L634-F636 HydrophobicContact CD2-CE1 4.04Å; L634-F636 HydrophobicContact CD2-CZ 4.2Å; L634-F636 HydrophobicContact CG-CE1 4.41Å; L634-F636 PolarHBondContact O-N 3.24Å; L634-F636 VanDerWaalsContact O-N 3.09Å; F636-M648 HydrophobicContact CB-CE 4.3Å; F636-M648 WeakPolarHBondContact CB-O 3.47Å; F636-M648 HydrophobicContact CB-SD 4.03Å; F636-M648 VanDerWaalsContact O-CE 3.32Å; F636-M648 WeakPolarHBondContact O-CE 3.31Å; F636-K654 HydrophobicContact CB-CB 4.36Å; F636-T655 HydrophobicContact CD1-CG2 4.04Å; F636-T655 HydrophobicContact CE1-CG2 3.67Å |
| 637 | V | 78.2 | Confident | 69.3 | Low | 16 Ų | 16 | 71.5 Ų | 71.5 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -74.6 | -32.9 | 175 | 179.1 | 0 | 0 | 0 | 0 | 111 | I540 L624 T625 L634 S635 | I540-V637 HydrophobicContact CD1-CB 4.36Å; I540-V637 HydrophobicContact CD1-CG1 4.28Å; I540-V637 HydrophobicContact CD1-CG2 4.22Å; L624-V637 HydrophobicContact CB-CG1 4.14Å; L624-V637 HydrophobicContact CB-CG2 4.3Å; L624-V637 HydrophobicContact CD1-CG2 4.37Å; T625-V637 WeakPolarHBondContact OG1-CG1 3.34Å; L634-V637 HydrophobicContact CB-CB 4.37Å; L634-V637 HydrophobicContact CB-CG2 3.76Å; L634-V637 HydrophobicContact CD1-CG2 4.31Å; L634-V637 WeakPolarHBondContact O-CB 3.36Å; L634-V637 PolarHBondContact O-N 3.24Å; S635-V637 VanDerWaalsContact C-N 3.25Å; S635-V637 PolarHBondContact O-N 3.3Å |
| 638 | H | 77.2 | Confident | 68.1 | Low | 56.3333 Ų | 56.3333 | 72.4 Ų | 72.4 | 26% | 0.261 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -94.5 | -5.1 | -176.5 | -55.4 | -74.8 | 0 | 0 | 0 | 113.7 | D628 L634 S635 | D628-H638 IonicContact OD2-CD2 2.99Å; D628-H638 IonicContact OD2-NE2 3.12Å; D628-H638 PolarHBondContact OD2-NE2 3.11Å; D628-H638 VanDerWaalsContact OD2-NE2 3.08Å; L634-H638 PolarHBondContact O-CD2 2.98Å; S635-H638 PolarHBondContact O-N 3.22Å |
| 639 | T | 70.3 | Confident | 67.4 | Low | 68.3333 Ų | 68.3333 | 72.5 Ų | 72.5 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -81.1 | 128.6 | 179.6 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | S635 M648 | S635-T639 PolarHBondContact O-N 3.04Å; S635-T639 VanDerWaalsContact O-N 3.13Å; S635-T639 PolarHBondContact O-OG1 3.05Å; T639-M648 HydrophobicContact CG2-CE 3.95Å |
| 640 | P | 62.3 | Low | 66.6 | Low | 93.6667 Ų | 93.6667 | 66.2 Ų | 66.2 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | trans | -65.7 | 139.4 | -178.7 | 24.4 | -32.7 | 0 | 0 | 0 | 112.8 | E642 A643 | P640-E642 VanDerWaalsContact C-N 3.26Å; P640-E642 PolarHBondContact O-N 3.04Å; P640-E642 VanDerWaalsContact O-N 3.12Å; P640-A643 HydrophobicContact CG-CB 4.49Å; P640-A643 PolarHBondContact O-N 3.04Å | ||
| 641 | R | 58.1 | Low | 66.2 | Low | 209.333 Ų | 209.333 | 61.5 Ų | 61.5 | 79% | 0.79 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -58.4 | -23.9 | -174.7 | -112.3 | 180 | 173.3 | 171.6 | -2.3 | 115.1 | A643 A644 | R641-A643 VanDerWaalsContact C-N 3.33Å; R641-A643 PolarHBondContact O-N 3.38Å; R641-A644 PolarHBondContact O-N 3.13Å |
| 642 | E | 49.2 | Very low | 65.5 | Low | 195 Ų | 195 | 58.4 Ų | 58.4 | 91% | 0.911 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -79.2 | -19.3 | -174.8 | -65.3 | 177.5 | 174.8 | 0 | 0 | 113.7 | P640 A644 | P640-E642 VanDerWaalsContact C-N 3.26Å; P640-E642 PolarHBondContact O-N 3.04Å; P640-E642 VanDerWaalsContact O-N 3.12Å; E642-A644 VanDerWaalsContact C-N 3.33Å |
| 643 | A | 47.3 | Very low | 64.5 | Low | 74 Ų | 74 | 53.3 Ų | 53.3 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -82.5 | 25.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | P640 R641 A645 | P640-A643 HydrophobicContact CG-CB 4.49Å; P640-A643 PolarHBondContact O-N 3.04Å; R641-A643 VanDerWaalsContact C-N 3.33Å; R641-A643 PolarHBondContact O-N 3.38Å; A643-A645 PolarHBondContact O-N 2.94Å |
| 644 | A | 45.1 | Very low | 63.7 | Low | 51.6667 Ų | 51.6667 | 54.9 Ų | 54.9 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | trans | -100.1 | 24.7 | -160.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R641 E642 G646 Q647 M648 | R641-A644 PolarHBondContact O-N 3.13Å; E642-A644 VanDerWaalsContact C-N 3.33Å; A644-G646 PolarHBondContact O-N 3.27Å; A644-Q647 PolarHBondContact O-N 2.75Å; A644-Q647 VanDerWaalsContact O-N 3.13Å; A644-M648 HydrophobicContact CB-CE 3.96Å; A644-M648 HydrophobicContact CB-CG 3.8Å; A644-M648 HydrophobicContact CB-SD 3.56Å; A644-M648 WeakPolarHBondContact CB-SD 3.42Å | ||
| 645 | A | 45.1 | Very low | 63.1 | Low | 85 Ų | 85 | 55.2 Ų | 55.2 | 70% | 0.702 | 32% | 0.316 | S | S | * | . | trans | -79.8 | 48.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A643 | A643-A645 PolarHBondContact O-N 2.94Š| ||
| 646 | G | 52.3 | Low | 62.7 | Low | 30.6667 Ų | 30.6667 | 54.9 Ų | 54.9 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -127.8 | 167.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A644 M648 | A644-G646 PolarHBondContact O-N 3.27Å; G646-M648 WeakPolarHBondContact O-CG 3.41Å; G646-M648 PolarHBondContact O-N 2.82Å |
| 647 | Q | 55.4 | Low | 62.4 | Low | 68.3333 Ų | 68.3333 | 55 Ų | 55 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | trans | -82.4 | 88.3 | -169.3 | -69.1 | -172 | -23.5 | 0 | 0 | 113.9 | A644 V652 K654 F857 | A644-Q647 PolarHBondContact O-N 2.75Å; A644-Q647 VanDerWaalsContact O-N 3.13Å; Q647-V652 HydrophobicContact CB-CG2 3.73Å; Q647-V652 HydrophobicContact CG-CG2 4.32Å; Q647-K654 HydrophobicContact CB-CD 4.02Å; Q647-K654 HydrophobicContact CG-CD 4.26Å; Q647-K654 PolarHBondContact O-NZ 3.48Å; Q647-F857 HydrophobicContact CB-CE1 4.49Å; Q647-F857 HydrophobicContact CB-CZ 4.4Å; Q647-F857 HydrophobicContact CG-CE1 3.56Å; Q647-F857 HydrophobicContact CG-CZ 3.66Å | ||
| 648 | M | 59.9 | Low | 61.8 | Low | 31 Ų | 31 | 57.4 Ų | 57.4 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | trans | -97.3 | 63.6 | 179.8 | -62.2 | -63.6 | -79 | 0 | 0 | 112.5 | F636 T639 A644 G646 V652 K654 V670 F857 | F636-M648 HydrophobicContact CB-CE 4.3Å; F636-M648 WeakPolarHBondContact CB-O 3.47Å; F636-M648 HydrophobicContact CB-SD 4.03Å; F636-M648 VanDerWaalsContact O-CE 3.32Å; F636-M648 WeakPolarHBondContact O-CE 3.31Å; T639-M648 HydrophobicContact CG2-CE 3.95Å; A644-M648 HydrophobicContact CB-CE 3.96Å; A644-M648 HydrophobicContact CB-CG 3.8Å; A644-M648 HydrophobicContact CB-SD 3.56Å; A644-M648 WeakPolarHBondContact CB-SD 3.42Å; G646-M648 WeakPolarHBondContact O-CG 3.41Å; G646-M648 PolarHBondContact O-N 2.82Å; M648-V652 HydrophobicContact CE-CB 4.06Å; M648-V652 HydrophobicContact CE-CG1 3.64Å; M648-K654 HydrophobicContact CB-CD 4.08Å; M648-K654 HydrophobicContact CG-CD 4.19Å; M648-V670 HydrophobicContact CE-CG2 3.47Å; M648-V670 VanDerWaalsContact CE-CG2 3.47Å; M648-F857 HydrophobicContact CE-CE2 3.7Å; M648-F857 HydrophobicContact CE-CZ 3.7Å; M648-F857 HydrophobicContact SD-CD1 4.32Å; M648-F857 HydrophobicContact SD-CD2 3.81Å; M648-F857 HydrophobicContact SD-CE1 3.96Å; M648-F857 HydrophobicContact SD-CE2 3.41Å; M648-F857 WeakPolarHBondContact SD-CE2 3.3Å; M648-F857 HydrophobicContact SD-CG 4.27Å; M648-F857 HydrophobicContact SD-CZ 3.51Å; M648-F857 VanDerWaalsContact SD-CZ 3.51Å | ||
| 649 | C | 71.9 | Confident | 60.5 | Low | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | trans | -129.1 | 150.9 | -179 | 99 | 0 | 0 | 0 | 0 | 112.5 | C534 G536 H537 C651 V652 | C534-C649 PolarHBondContact SG-SG 2.79Å; G536-C649 WeakPolarHBondContact O-CB 3.41Å; H537-C649 PolarHBondContact ND1-SG 2.81Å; C649-C651 PolarHBondContact O-N 3.07Å; C649-C651 VanDerWaalsContact O-N 3.13Å; C649-C651 WeakPolarHBondContact SG-CB 3.33Å; C649-C651 PolarHBondContact SG-N 2.98Å; C649-V652 HydrophobicContact CB-CG2 4.43Å; C649-V652 WeakPolarHBondContact O-CG2 3.47Å; C649-V652 PolarHBondContact O-N 3.01Å | ||
| 650 | G | 68.2 | Low | 59.3 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -63.1 | -12.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y501 R505 V652 G653 T655 | Y501-G650 WeakPolarHBondContact OH-CA 3.4Å; Y501-G650 PolarHBondContact OH-N 2.79Å; Y501-G650 VanDerWaalsContact OH-N 3.13Å; R505-G650 VanDerWaalsContact CZ-O 3.26Å; R505-G650 PolarHBondContact NE-O 2.96Å; R505-G650 VanDerWaalsContact NE-O 3.07Å; R505-G650 PolarHBondContact NH2-O 3.35Å; G650-V652 VanDerWaalsContact C-N 3.3Å; G650-V652 PolarHBondContact O-N 2.98Å; G650-V652 VanDerWaalsContact O-N 3.09Å; G650-G653 PolarHBondContact O-N 3.37Å; G650-G653 VanDerWaalsContact O-N 3.1Å; G650-T655 VanDerWaalsContact CA-CG2 3.45Å |
| 651 | C | 74.8 | Confident | 58.3 | Low | 1.33333 Ų | 1.33333 | 58.8 Ų | 58.8 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -62.2 | -26.7 | 169.6 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | L503 R505 S532 C534 H537 C649 F667 | L503-C651 HydrophobicContact CD1-CB 4.4Å; R505-C651 VanDerWaalsContact NH2-C 3.27Å; R505-C651 PolarHBondContact NH2-O 2.76Å; S532-C651 WeakPolarHBondContact OG-CB 3.19Å; S532-C651 PolarHBondContact OG-SG 2.97Å; S532-C651 VanDerWaalsContact OG-SG 3.35Å; C534-C651 WeakPolarHBondContact CB-SG 3.07Å; C534-C651 WeakPolarHBondContact SG-CB 3.38Å; C534-C651 CovalentContact SG-SG 2.08Å; C534-C651 PolarHBondContact SG-SG 2.94Å; H537-C651 PolarHBondContact ND1-SG 2.96Å; H537-C651 VanDerWaalsContact ND1-SG 3.42Å; C649-C651 PolarHBondContact O-N 3.07Å; C649-C651 VanDerWaalsContact O-N 3.13Å; C649-C651 WeakPolarHBondContact SG-CB 3.33Å; C649-C651 PolarHBondContact SG-N 2.98Å; C651-F667 VanDerWaalsContact O-CB 3.28Å; C651-F667 WeakPolarHBondContact O-CB 3.17Å |
| 652 | V | 65.8 | Low | 57.4 | Low | 18 Ų | 18 | 54.1 Ų | 54.1 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -102.4 | 10.9 | -173 | -160.7 | 0 | 0 | 0 | 0 | 113.1 | Q647 M648 C649 G650 K654 D668 A669 V670 L673 F857 | Q647-V652 HydrophobicContact CB-CG2 3.73Å; Q647-V652 HydrophobicContact CG-CG2 4.32Å; M648-V652 HydrophobicContact CE-CB 4.06Å; M648-V652 HydrophobicContact CE-CG1 3.64Å; C649-V652 HydrophobicContact CB-CG2 4.43Å; C649-V652 WeakPolarHBondContact O-CG2 3.47Å; C649-V652 PolarHBondContact O-N 3.01Å; G650-V652 VanDerWaalsContact C-N 3.3Å; G650-V652 PolarHBondContact O-N 2.98Å; G650-V652 VanDerWaalsContact O-N 3.09Å; V652-K654 PolarHBondContact O-N 2.89Å; V652-D668 HydrophobicContact CG1-CB 3.51Å; V652-D668 WeakPolarHBondContact CG1-OD2 3.2Å; V652-D668 WeakPolarHBondContact O-CA 3.41Å; V652-A669 HydrophobicContact CB-CB 4.32Å; V652-A669 HydrophobicContact CG1-CB 3.67Å; V652-A669 PolarHBondContact O-N 2.83Å; V652-V670 HydrophobicContact CG1-CG2 4.03Å; V652-L673 HydrophobicContact CB-CD1 3.99Å; V652-L673 HydrophobicContact CG1-CD1 3.96Å; V652-L673 HydrophobicContact CG2-CD1 3.73Å; V652-F857 HydrophobicContact CB-CZ 4.43Å; V652-F857 HydrophobicContact CG1-CE2 4.47Å; V652-F857 HydrophobicContact CG1-CZ 4.3Å; V652-F857 HydrophobicContact CG2-CZ 4.03Å |
| 653 | G | 61.1 | Low | 57.1 | Low | 6.33333 Ų | 6.33333 | 49.5 Ų | 49.5 | 7% | 0.065 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 5.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117 | G650 T655 F667 A669 V670 | G650-G653 PolarHBondContact O-N 3.37Å; G650-G653 VanDerWaalsContact O-N 3.1Å; G653-T655 PolarHBondContact O-N 3.19Å; G653-T655 VanDerWaalsContact O-N 3.13Å; G653-F667 WeakPolarHBondContact CA-O 3.28Å; G653-A669 CarbonylContact C-O 3.52Å; G653-A669 VanDerWaalsContact C-O 3.24Å; G653-A669 WeakPolarHBondContact CA-O 3.35Å; G653-A669 CarbonylContact O-C 3.59Å; G653-V670 WeakPolarHBondContact O-CA 3.11Å; G653-V670 PolarHBondContact O-N 2.87Å |
| 654 | K | 64.3 | Low | 56.8 | Low | 77.6667 Ų | 77.6667 | 56.3 Ų | 56.3 | 34% | 0.338 | 35% | 0.351 | S | S | . | . | trans | -90.3 | 30.7 | -178.2 | -63.7 | -173.9 | 177.2 | 177.9 | 0 | 114.5 | S635 F636 Q647 M648 V652 D668 | S635-K654 PolarHBondContact OG-O 2.99Å; F636-K654 HydrophobicContact CB-CB 4.36Å; Q647-K654 HydrophobicContact CB-CD 4.02Å; Q647-K654 HydrophobicContact CG-CD 4.26Å; Q647-K654 PolarHBondContact O-NZ 3.48Å; M648-K654 HydrophobicContact CB-CD 4.08Å; M648-K654 HydrophobicContact CG-CD 4.19Å; V652-K654 PolarHBondContact O-N 2.89Å; K654-D668 WeakPolarHBondContact CE-OD2 3.37Å; K654-D668 IonicContact NZ-OD2 2.79Å | ||
| 655 | T | 68.5 | Low | 56.7 | Low | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -123.3 | 133.6 | 179.1 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | M429 Y501 R505 R633 L634 F636 G650 G653 F657 | M429-T655 HydrophobicContact SD-CG2 4.22Å; Y501-T655 HydrophobicContact CE1-CG2 4.29Å; R505-T655 PolarHBondContact NH2-OG1 2.79Å; R505-T655 VanDerWaalsContact NH2-OG1 3.16Å; R633-T655 WeakPolarHBondContact O-CA 3.49Å; L634-T655 HydrophobicContact CD2-CG2 3.92Å; F636-T655 HydrophobicContact CD1-CG2 4.04Å; F636-T655 HydrophobicContact CE1-CG2 3.67Å; G650-T655 VanDerWaalsContact CA-CG2 3.45Å; G653-T655 PolarHBondContact O-N 3.19Å; G653-T655 VanDerWaalsContact O-N 3.13Å; T655-F657 PolarHBondContact O-N 2.88Å |
| 656 | A | 65.6 | Low | 56.9 | Low | 49.6667 Ų | 49.6667 | 56 Ų | 56 | 41% | 0.41 | 34% | 0.336 | S | S | . | . | trans | -74.1 | 91.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y411 R633 | Y411-A656 PolarHBondContact OH-O 2.99Å; R633-A656 HydrophobicContact CB-CB 4.16Å; R633-A656 WeakPolarHBondContact O-CB 3.29Å; R633-A656 PolarHBondContact O-N 3.4Å; R633-A656 VanDerWaalsContact O-N 3.11Å | ||
| 657 | F | 69.7 | Low | 56.9 | Low | 14.3333 Ų | 14.3333 | 56 Ų | 56 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -101.9 | 85.7 | 179.3 | -175.4 | -98.3 | 0 | 0 | 0 | 109.8 | R407 E409 M429 E431 T655 S659 | R407-F657 HydrophobicContact CB-CE1 4.24Å; R407-F657 HydrophobicContact CB-CZ 4.25Å; E409-F657 HydrophobicContact CB-CD2 4.07Å; E409-F657 HydrophobicContact CB-CE2 4.02Å; E409-F657 HydrophobicContact CG-CD2 3.95Å; E409-F657 HydrophobicContact CG-CE2 3.88Å; M429-F657 HydrophobicContact CB-CD2 3.48Å; M429-F657 VanDerWaalsContact CB-CD2 3.48Å; M429-F657 HydrophobicContact CB-CE2 3.59Å; M429-F657 HydrophobicContact CB-CG 4.36Å; M429-F657 HydrophobicContact CB-CZ 4.41Å; M429-F657 HydrophobicContact CE-CB 4.09Å; M429-F657 HydrophobicContact CE-CD2 4.06Å; M429-F657 HydrophobicContact CE-CG 4.47Å; M429-F657 HydrophobicContact CG-CD2 4.42Å; M429-F657 WeakPolarHBondContact O-CE2 3.33Å; M429-F657 HydrophobicContact SD-CB 4.19Å; M429-F657 HydrophobicContact SD-CD2 4.18Å; M429-F657 HydrophobicContact SD-CG 4.33Å; E431-F657 HydrophobicContact CB-CE1 3.56Å; E431-F657 HydrophobicContact CB-CZ 3.88Å; E431-F657 HydrophobicContact CG-CE1 4.46Å; T655-F657 PolarHBondContact O-N 2.88Å; F657-S659 WeakPolarHBondContact O-CB 3.33Å; F657-S659 PolarHBondContact O-N 3.14Å; F657-S659 PolarHBondContact O-OG 3.2Å |
| 658 | Y | 65 | Low | 56.8 | Low | 66.6667 Ų | 66.6667 | 55.9 Ų | 55.9 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 37.1 | 83.7 | -177.1 | -73.3 | -80.9 | 0 | 0 | 0 | 113.1 | S373 F374 R407 A408 E409 A660 L683 F700 | S373-Y658 WeakPolarHBondContact CB-OH 3.23Å; F374-Y658 PolarHBondContact N-OH 2.78Å; F374-Y658 VanDerWaalsContact N-OH 3.16Å; F374-Y658 PolarHBondContact O-OH 2.95Å; R407-Y658 HydrophobicContact CB-CD2 4.23Å; R407-Y658 HydrophobicContact CB-CE2 3.85Å; R407-Y658 HydrophobicContact CG-CE2 4.45Å; A408-Y658 PolarHBondContact O-OH 2.95Å; A408-Y658 VanDerWaalsContact O-OH 3.09Å; E409-Y658 HydrophobicContact CG-CD2 3.61Å; E409-Y658 HydrophobicContact CG-CE2 3.34Å; E409-Y658 HydrophobicContact CG-CG 4.36Å; E409-Y658 WeakPolarHBondContact OE1-CA 3.45Å; E409-Y658 WeakPolarHBondContact OE1-CD2 3.49Å; E409-Y658 WeakPolarHBondContact OE1-CE2 3.15Å; E409-Y658 PolarHBondContact OE1-N 3.18Å; E409-Y658 PolarHBondContact OE2-N 2.83Å; Y658-A660 PolarHBondContact O-N 3.38Å; Y658-A660 VanDerWaalsContact O-N 3.11Å; Y658-L683 HydrophobicContact CE2-CD1 3.88Å; Y658-F700 HydrophobicContact CD1-CD1 4.3Å; Y658-F700 HydrophobicContact CD1-CE1 4.37Å; Y658-F700 AromaticContact CE1-CD1 3.67Å; Y658-F700 HydrophobicContact CE1-CD1 3.67Å; Y658-F700 VanDerWaalsContact CE1-CD1 3.48Å; Y658-F700 AromaticContact CE1-CE1 3.32Å; Y658-F700 HydrophobicContact CE1-CE1 3.32Å; Y658-F700 VanDerWaalsContact CE1-CE1 3.4Å; Y658-F700 HydrophobicContact CE1-CZ 4.23Å; Y658-F700 AromaticContact CZ-CE1 3.54Å; Y658-F700 VanDerWaalsContact CZ-CE1 3.44Å; Y658-F700 VanDerWaalsContact OH-CE1 3.24Å; Y658-F700 WeakPolarHBondContact OH-CE1 3.34Å; Y658-F700 WeakPolarHBondContact OH-CZ 3.4Å |
| 659 | S | 51.2 | Low | 56.5 | Low | 76 Ų | 76 | 55.1 Ų | 55.1 | 53% | 0.531 | 33% | 0.327 | S | S | . | . | trans | -71.3 | 111.6 | -176.3 | 21.2 | 0 | 0 | 0 | 0 | 113 | F657 G661 | F657-S659 WeakPolarHBondContact O-CB 3.33Å; F657-S659 PolarHBondContact O-N 3.14Å; F657-S659 PolarHBondContact O-OG 3.2Å; S659-G661 PolarHBondContact O-N 3.12Å | ||
| 660 | A | 44.7 | Very low | 55.6 | Low | 98.6667 Ų | 98.6667 | 56.4 Ų | 56.4 | 82% | 0.815 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -69.5 | 86.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y658 L662 | Y658-A660 PolarHBondContact O-N 3.38Å; Y658-A660 VanDerWaalsContact O-N 3.11Å; A660-L662 PolarHBondContact O-N 3.46Å |
| 661 | G | 41 | Very low | 55.2 | Low | 74 Ų | 74 | 59.5 Ų | 59.5 | 76% | 0.763 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -138.3 | 8.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S659 | S659-G661 PolarHBondContact O-N 3.12Š|
| 662 | L | 39.5 | Very low | 54.6 | Low | 110.667 Ų | 110.667 | 59.7 Ų | 59.7 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -71.1 | 138.4 | 173.6 | -78.1 | 155 | 0 | 0 | 0 | 111.9 | A660 R664 L683 | A660-L662 PolarHBondContact O-N 3.46Å; L662-R664 PolarHBondContact O-N 3.26Å; L662-R664 VanDerWaalsContact O-N 3.12Å; L662-L683 HydrophobicContact CD2-CD2 4Å |
| 663 | P | 41.9 | Very low | 54.3 | Low | 97.3333 Ų | 97.3333 | 59.6 Ų | 59.6 | 63% | 0.632 | 35% | 0.351 | S | S | * | . | trans | -70.3 | 86.8 | -174.5 | 29.4 | -34.5 | 0 | 0 | 0 | 111.4 | D665 A666 | P663-D665 PolarHBondContact O-N 2.83Å; P663-A666 PolarHBondContact O-N 3.06Å | ||
| 664 | R | 42.1 | Very low | 54.3 | Low | 216.333 Ų | 216.333 | 66.8 Ų | 66.8 | 82% | 0.816 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 6.4 | -179.4 | -73.8 | -173.1 | 177.9 | -158.5 | -0.9 | 115.4 | L662 A666 | L662-R664 PolarHBondContact O-N 3.26Å; L662-R664 VanDerWaalsContact O-N 3.12Å; R664-A666 PolarHBondContact O-N 2.99Å |
| 665 | D | 43.8 | Very low | 54 | Low | 88.3333 Ų | 88.3333 | 66.3 Ų | 66.3 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 47 | -173.6 | -57 | -44.2 | 0 | 0 | 0 | 112.8 | P663 F667 D668 D671 W680 | P663-D665 PolarHBondContact O-N 2.83Å; D665-F667 VanDerWaalsContact C-N 3.28Å; D665-F667 PolarHBondContact O-N 2.97Å; D665-D668 PolarHBondContact O-N 3.25Å; D665-D668 VanDerWaalsContact O-N 3.1Å; D665-D671 HydrophobicContact CB-CB 4.34Å; D665-D671 WeakPolarHBondContact CB-OD2 3.35Å; D665-W680 WeakPolarHBondContact O-CZ3 3.3Å |
| 666 | A | 47.6 | Very low | 53.4 | Low | 42.6667 Ų | 42.6667 | 71.1 Ų | 71.1 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R530 P663 R664 D668 L683 | R530-A666 WeakPolarHBondContact CD-O 3.39Å; R530-A666 PolarHBondContact NE-O 3.48Å; R530-A666 PolarHBondContact NH1-O 2.87Å; P663-A666 PolarHBondContact O-N 3.06Å; R664-A666 PolarHBondContact O-N 2.99Å; A666-D668 PolarHBondContact O-N 2.92Å; A666-L683 HydrophobicContact CB-CD1 4.37Å; A666-L683 HydrophobicContact CB-CD2 4.14Å |
| 667 | F | 52.4 | Low | 52.8 | Low | 31.6667 Ų | 31.6667 | 71 Ų | 71 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | trans | -105.8 | 58.9 | 175.4 | -105.9 | -95.4 | 0 | 0 | 0 | 112.3 | R505 R530 C651 G653 D665 A669 F672 L679 W680 L683 | R505-F667 HydrophobicContact CB-CE1 4.06Å; R505-F667 HydrophobicContact CB-CZ 3.99Å; R505-F667 HydrophobicContact CG-CD1 4.43Å; R505-F667 HydrophobicContact CG-CE1 4.13Å; R505-F667 HydrophobicContact CG-CZ 4.27Å; R530-F667 HydrophobicContact CB-CD1 3.94Å; R530-F667 HydrophobicContact CB-CE1 3.81Å; R530-F667 HydrophobicContact CG-CE1 4.25Å; C651-F667 VanDerWaalsContact O-CB 3.28Å; C651-F667 WeakPolarHBondContact O-CB 3.17Å; G653-F667 WeakPolarHBondContact CA-O 3.28Å; D665-F667 VanDerWaalsContact C-N 3.28Å; D665-F667 PolarHBondContact O-N 2.97Å; F667-A669 HydrophobicContact CE1-CB 3.85Å; F667-A669 HydrophobicContact CZ-CB 4.01Å; F667-A669 PolarHBondContact O-N 2.88Å; F667-F672 HydrophobicContact CD2-CB 4.49Å; F667-F672 HydrophobicContact CE2-CB 3.61Å; F667-F672 HydrophobicContact CE2-CD1 4.31Å; F667-F672 AromaticContact CE2-CD2 3.75Å; F667-F672 HydrophobicContact CE2-CD2 3.75Å; F667-F672 AromaticContact CE2-CG 3.56Å; F667-F672 HydrophobicContact CE2-CG 3.56Å; F667-F672 HydrophobicContact CZ-CB 3.95Å; F667-F672 AromaticContact CZ-CD1 3.99Å; F667-F672 HydrophobicContact CZ-CD1 3.99Å; F667-F672 HydrophobicContact CZ-CD2 4.2Å; F667-F672 AromaticContact CZ-CG 3.71Å; F667-F672 HydrophobicContact CZ-CG 3.71Å; F667-L679 HydrophobicContact CE1-CB 4.32Å; F667-L679 HydrophobicContact CE1-CD2 3.92Å; F667-L679 HydrophobicContact CZ-CB 4.49Å; F667-L679 VanDerWaalsContact CZ-O 3.23Å; F667-L679 WeakPolarHBondContact CZ-O 3.22Å; F667-W680 HydrophobicContact CB-CD2 4.19Å; F667-W680 HydrophobicContact CB-CH2 4.29Å; F667-W680 HydrophobicContact CB-CZ2 3.44Å; F667-W680 VanDerWaalsContact CB-CZ2 3.44Å; F667-W680 AromaticContact CD2-NE1 3.89Å; F667-W680 HydrophobicContact CG-CZ2 4.35Å; F667-W680 AromaticContact CG-NE1 3.52Å; F667-L683 HydrophobicContact CD2-CD1 3.62Å; F667-L683 HydrophobicContact CD2-CD2 3.84Å; F667-L683 HydrophobicContact CD2-CG 3.7Å; F667-L683 HydrophobicContact CE2-CD1 3.8Å; F667-L683 HydrophobicContact CE2-CD2 4.31Å; F667-L683 HydrophobicContact CE2-CG 3.66Å; F667-L683 HydrophobicContact CZ-CD1 4.37Å | ||
| 668 | D | 53.9 | Low | 51.8 | Low | 64.3333 Ų | 64.3333 | 73.4 Ų | 73.4 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | trans | -70.7 | 116.5 | 167.2 | -145 | -36 | 0 | 0 | 0 | 108.8 | V652 K654 D665 A666 V670 D671 F672 | V652-D668 HydrophobicContact CG1-CB 3.51Å; V652-D668 WeakPolarHBondContact CG1-OD2 3.2Å; V652-D668 WeakPolarHBondContact O-CA 3.41Å; K654-D668 WeakPolarHBondContact CE-OD2 3.37Å; K654-D668 IonicContact NZ-OD2 2.79Å; D665-D668 PolarHBondContact O-N 3.25Å; D665-D668 VanDerWaalsContact O-N 3.1Å; A666-D668 PolarHBondContact O-N 2.92Å; D668-V670 VanDerWaalsContact C-N 3.3Å; D668-V670 HydrophobicContact CB-CB 4.15Å; D668-V670 HydrophobicContact CB-CG2 4.1Å; D668-V670 PolarHBondContact O-N 3.17Å; D668-V670 VanDerWaalsContact OD1-CB 3.27Å; D668-V670 WeakPolarHBondContact OD1-CB 3.29Å; D668-V670 PolarHBondContact OD1-N 2.85Å; D668-D671 HydrophobicContact CB-CB 4.12Å; D668-D671 PolarHBondContact O-N 2.76Å; D668-D671 PolarHBondContact OD1-N 3.39Å; D668-F672 WeakPolarHBondContact O-CB 3.26Å; D668-F672 PolarHBondContact O-N 2.99Å | ||
| 669 | A | 52.9 | Low | 51 | Low | 14.3333 Ų | 14.3333 | 73.7 Ų | 73.7 | 12% | 0.118 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.5 | -20.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L548 V652 G653 F667 D671 F672 L673 L856 | L548-A669 HydrophobicContact CD2-CB 3.9Å; V652-A669 HydrophobicContact CB-CB 4.32Å; V652-A669 HydrophobicContact CG1-CB 3.67Å; V652-A669 PolarHBondContact O-N 2.83Å; G653-A669 CarbonylContact C-O 3.52Å; G653-A669 VanDerWaalsContact C-O 3.24Å; G653-A669 WeakPolarHBondContact CA-O 3.35Å; G653-A669 CarbonylContact O-C 3.59Å; F667-A669 HydrophobicContact CE1-CB 3.85Å; F667-A669 HydrophobicContact CZ-CB 4.01Å; F667-A669 PolarHBondContact O-N 2.88Å; A669-D671 VanDerWaalsContact C-N 3.31Å; A669-D671 PolarHBondContact O-N 3.31Å; A669-F672 HydrophobicContact CB-CB 4.49Å; A669-L673 WeakPolarHBondContact O-CB 3.49Å; A669-L673 VanDerWaalsContact O-CD1 3.31Å; A669-L673 WeakPolarHBondContact O-CD1 3.43Å; A669-L673 WeakPolarHBondContact O-CG 3.46Å; A669-L673 PolarHBondContact O-N 2.83Å; A669-L673 VanDerWaalsContact O-N 3.08Å; A669-L856 HydrophobicContact CB-CD1 4.14Å |
| 670 | V | 54.6 | Low | 51 | Low | 29.6667 Ų | 29.6667 | 72 Ų | 72 | 18% | 0.18 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.7 | -41.2 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | M648 V652 G653 D668 F672 L673 R674 V852 E853 F857 | M648-V670 HydrophobicContact CE-CG2 3.47Å; M648-V670 VanDerWaalsContact CE-CG2 3.47Å; V652-V670 HydrophobicContact CG1-CG2 4.03Å; G653-V670 WeakPolarHBondContact O-CA 3.11Å; G653-V670 PolarHBondContact O-N 2.87Å; D668-V670 VanDerWaalsContact C-N 3.3Å; D668-V670 HydrophobicContact CB-CB 4.15Å; D668-V670 HydrophobicContact CB-CG2 4.1Å; D668-V670 PolarHBondContact O-N 3.17Å; D668-V670 VanDerWaalsContact OD1-CB 3.27Å; D668-V670 WeakPolarHBondContact OD1-CB 3.29Å; D668-V670 PolarHBondContact OD1-N 2.85Å; V670-F672 PolarHBondContact O-N 3.49Å; V670-L673 PolarHBondContact O-N 3.24Å; V670-R674 HydrophobicContact CG1-CG 4.37Å; V670-R674 WeakPolarHBondContact O-CB 3.3Å; V670-R674 VanDerWaalsContact O-CG 3.29Å; V670-R674 WeakPolarHBondContact O-CG 3.09Å; V670-R674 PolarHBondContact O-N 3.02Å; V670-V852 HydrophobicContact CG2-CG1 4.23Å; V670-E853 HydrophobicContact CG1-CG 4.23Å; V670-E853 VanDerWaalsContact CG1-OE1 3.28Å; V670-E853 WeakPolarHBondContact CG1-OE1 3.49Å; V670-E853 HydrophobicContact CG2-CG 4.37Å; V670-F857 HydrophobicContact CG2-CE2 4.23Å |
| 671 | D | 59.7 | Low | 51.1 | Low | 63.6667 Ų | 63.6667 | 76.8 Ų | 76.8 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -85.6 | -15.5 | -177.8 | -71.5 | -15.6 | 0 | 0 | 0 | 112.4 | D665 D668 A669 L673 R674 D675 W680 | D665-D671 HydrophobicContact CB-CB 4.34Å; D665-D671 WeakPolarHBondContact CB-OD2 3.35Å; D668-D671 HydrophobicContact CB-CB 4.12Å; D668-D671 PolarHBondContact O-N 2.76Å; D668-D671 PolarHBondContact OD1-N 3.39Å; A669-D671 VanDerWaalsContact C-N 3.31Å; A669-D671 PolarHBondContact O-N 3.31Å; D671-L673 VanDerWaalsContact C-N 3.26Å; D671-L673 PolarHBondContact O-N 3.18Å; D671-R674 HydrophobicContact CB-CB 3.6Å; D671-R674 PolarHBondContact O-N 3.01Å; D671-R674 WeakPolarHBondContact OD1-CD 3.1Å; D671-R674 IonicContact OD1-NH1 3Å; D671-R674 WeakPolarHBondContact OD2-CB 3.34Å; D671-D675 WeakPolarHBondContact O-CB 3.36Å; D671-D675 PolarHBondContact O-N 3.36Å; D671-W680 WeakPolarHBondContact O-CZ2 3.36Å |
| 672 | F | 60.9 | Low | 51.3 | Low | 6 Ų | 6 | 76.5 Ų | 76.5 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -52.5 | -36.7 | 172 | 177.5 | -105.5 | 0 | 0 | 0 | 113.8 | R505 R530 L548 K603 F667 D668 A669 V670 S678 L679 W680 | R505-F672 HydrophobicContact CB-CE2 4.43Å; R505-F672 HydrophobicContact CB-CZ 4.24Å; R530-F672 HydrophobicContact CB-CE1 3.74Å; R530-F672 HydrophobicContact CB-CZ 3.68Å; R530-F672 WeakPolarHBondContact CD-O 3.44Å; R530-F672 HydrophobicContact CG-CE1 4.33Å; R530-F672 HydrophobicContact CG-CE2 4.35Å; R530-F672 HydrophobicContact CG-CZ 3.95Å; R530-F672 PolarHBondContact NH1-O 3.5Å; L548-F672 HydrophobicContact CB-CD1 3.93Å; L548-F672 HydrophobicContact CB-CD2 4.4Å; L548-F672 HydrophobicContact CB-CE1 3.86Å; L548-F672 HydrophobicContact CB-CE2 4.32Å; L548-F672 HydrophobicContact CB-CG 4.2Å; L548-F672 HydrophobicContact CB-CZ 4.06Å; L548-F672 HydrophobicContact CD1-CB 3.96Å; L548-F672 HydrophobicContact CD1-CD1 4.27Å; L548-F672 HydrophobicContact CD1-CD2 4.43Å; L548-F672 HydrophobicContact CD1-CG 3.97Å; L548-F672 HydrophobicContact CD2-CD1 3.93Å; L548-F672 HydrophobicContact CD2-CE1 4.44Å; L548-F672 HydrophobicContact CD2-CG 4.45Å; L548-F672 HydrophobicContact CG-CD1 4.26Å; L548-F672 HydrophobicContact CG-CG 4.43Å; K603-F672 HydrophobicContact CB-CE1 4.07Å; K603-F672 WeakPolarHBondContact CE-O 3.5Å; K603-F672 HydrophobicContact CG-CE1 4.34Å; K603-F672 HydrophobicContact CG-CZ 4.43Å; F667-F672 HydrophobicContact CD2-CB 4.49Å; F667-F672 HydrophobicContact CE2-CB 3.61Å; F667-F672 HydrophobicContact CE2-CD1 4.31Å; F667-F672 AromaticContact CE2-CD2 3.75Å; F667-F672 HydrophobicContact CE2-CD2 3.75Å; F667-F672 AromaticContact CE2-CG 3.56Å; F667-F672 HydrophobicContact CE2-CG 3.56Å; F667-F672 HydrophobicContact CZ-CB 3.95Å; F667-F672 AromaticContact CZ-CD1 3.99Å; F667-F672 HydrophobicContact CZ-CD1 3.99Å; F667-F672 HydrophobicContact CZ-CD2 4.2Å; F667-F672 AromaticContact CZ-CG 3.71Å; F667-F672 HydrophobicContact CZ-CG 3.71Å; D668-F672 WeakPolarHBondContact O-CB 3.26Å; D668-F672 PolarHBondContact O-N 2.99Å; A669-F672 HydrophobicContact CB-CB 4.49Å; V670-F672 PolarHBondContact O-N 3.49Å; F672-S678 WeakPolarHBondContact CA-OG 3.31Å; F672-S678 WeakPolarHBondContact CD2-OG 3.49Å; F672-L679 HydrophobicContact CD2-CD1 4.31Å; F672-L679 HydrophobicContact CE2-CD1 4.46Å; F672-W680 HydrophobicContact CB-CH2 3.79Å; F672-W680 HydrophobicContact CB-CZ2 4.18Å; F672-W680 HydrophobicContact CD2-CE3 4.44Å; F672-W680 HydrophobicContact CD2-CH2 4.01Å; F672-W680 HydrophobicContact CD2-CZ2 4.34Å; F672-W680 HydrophobicContact CD2-CZ3 4.05Å; F672-W680 HydrophobicContact CG-CH2 4.41Å |
| 673 | L | 59.9 | Low | 51.6 | Low | 16.3333 Ų | 16.3333 | 73.8 Ų | 73.8 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -88.9 | -24.1 | 179.3 | -67.4 | 172.5 | 0 | 0 | 0 | 112.5 | L548 K603 C605 V652 A669 V670 D671 V852 W869 | L548-L673 HydrophobicContact CB-CD2 3.81Å; L548-L673 HydrophobicContact CD2-CD2 3.76Å; L548-L673 HydrophobicContact CG-CD2 4.31Å; K603-L673 HydrophobicContact CB-CD2 3.83Å; K603-L673 HydrophobicContact CD-CD2 4.07Å; K603-L673 HydrophobicContact CG-CD2 4.43Å; K603-L673 PolarHBondContact NZ-O 2.84Å; K603-L673 WeakPolarHBondContact O-CD2 3.49Å; C605-L673 HydrophobicContact CB-CD1 3.84Å; C605-L673 HydrophobicContact CB-CD2 4.32Å; V652-L673 HydrophobicContact CB-CD1 3.99Å; V652-L673 HydrophobicContact CG1-CD1 3.96Å; V652-L673 HydrophobicContact CG2-CD1 3.73Å; A669-L673 WeakPolarHBondContact O-CB 3.49Å; A669-L673 VanDerWaalsContact O-CD1 3.31Å; A669-L673 WeakPolarHBondContact O-CD1 3.43Å; A669-L673 WeakPolarHBondContact O-CG 3.46Å; A669-L673 PolarHBondContact O-N 2.83Å; A669-L673 VanDerWaalsContact O-N 3.08Å; V670-L673 PolarHBondContact O-N 3.24Å; D671-L673 VanDerWaalsContact C-N 3.26Å; D671-L673 PolarHBondContact O-N 3.18Å; L673-V852 HydrophobicContact CB-CG1 4.47Å; L673-V852 HydrophobicContact CB-CG2 3.87Å; L673-V852 HydrophobicContact CD1-CB 4.24Å; L673-V852 HydrophobicContact CD1-CG1 3.43Å; L673-V852 VanDerWaalsContact CD1-CG1 3.48Å; L673-V852 HydrophobicContact CD1-CG2 3.73Å; L673-V852 HydrophobicContact CG-CG2 4.36Å; L673-W869 HydrophobicContact CB-CH2 4.31Å; L673-W869 HydrophobicContact CB-CZ3 3.75Å; L673-W869 HydrophobicContact CD1-CD2 4.33Å; L673-W869 HydrophobicContact CD1-CE3 3.44Å; L673-W869 VanDerWaalsContact CD1-CE3 3.44Å; L673-W869 HydrophobicContact CD1-CH2 4.43Å; L673-W869 HydrophobicContact CD1-CZ3 3.52Å; L673-W869 HydrophobicContact CD2-CE3 3.68Å; L673-W869 HydrophobicContact CD2-CZ3 3.7Å; L673-W869 VanDerWaalsContact CD2-CZ3 3.42Å; L673-W869 HydrophobicContact CG-CE3 4.02Å; L673-W869 HydrophobicContact CG-CZ3 3.69Å |
| 674 | R | 61.4 | Low | 51.6 | Low | 156.667 Ų | 156.667 | 72.6 Ų | 72.6 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -88.1 | -34.4 | -178.1 | -77.4 | 176.4 | 140 | 165 | 2.9 | 114.4 | V670 D671 D676 E853 | V670-R674 HydrophobicContact CG1-CG 4.37Å; V670-R674 WeakPolarHBondContact O-CB 3.3Å; V670-R674 VanDerWaalsContact O-CG 3.29Å; V670-R674 WeakPolarHBondContact O-CG 3.09Å; V670-R674 PolarHBondContact O-N 3.02Å; D671-R674 HydrophobicContact CB-CB 3.6Å; D671-R674 PolarHBondContact O-N 3.01Å; D671-R674 WeakPolarHBondContact OD1-CD 3.1Å; D671-R674 IonicContact OD1-NH1 3Å; D671-R674 WeakPolarHBondContact OD2-CB 3.34Å; R674-D676 PolarHBondContact O-N 3.36Å; R674-E853 IonicContact CZ-OE1 3.47Å; R674-E853 VanDerWaalsContact CZ-OE1 3.26Å; R674-E853 IonicContact CZ-OE2 3.61Å; R674-E853 IonicContact NE-OE1 3.89Å; R674-E853 IonicContact NH1-OE1 3.16Å; R674-E853 PolarHBondContact NH1-OE1 2.84Å; R674-E853 IonicContact NH1-OE2 2.62Å; R674-E853 IonicContact NH2-OE1 3.15Å; R674-E853 PolarHBondContact NH2-OE1 2.89Å; R674-E853 IonicContact NH2-OE2 3.58Å; R674-E853 PolarHBondContact NH2-OE2 2.86Å |
| 675 | D | 57.8 | Low | 51.4 | Low | 68.3333 Ų | 68.3333 | 69.9 Ų | 69.9 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | trans | -92.7 | 126.1 | -171.2 | -136.4 | -2.8 | 0 | 0 | 0 | 112.7 | R530 K603 D671 G677 S678 L679 W680 | R530-D675 VanDerWaalsContact CZ-O 3.24Å; R530-D675 PolarHBondContact NH1-O 3.3Å; R530-D675 PolarHBondContact NH2-O 3.06Å; K603-D675 WeakPolarHBondContact CE-O 3.31Å; K603-D675 PolarHBondContact NZ-O 2.83Å; D671-D675 WeakPolarHBondContact O-CB 3.36Å; D671-D675 PolarHBondContact O-N 3.36Å; D675-G677 PolarHBondContact O-N 3.01Å; D675-G677 VanDerWaalsContact O-N 3.12Å; D675-G677 PolarHBondContact OD2-N 2.92Å; D675-S678 PolarHBondContact O-OG 2.84Å; D675-S678 PolarHBondContact OD1-OG 3.44Å; D675-S678 VanDerWaalsContact OD1-OG 3.07Å; D675-S678 PolarHBondContact OD2-N 3.44Å; D675-S678 VanDerWaalsContact OD2-N 3.08Å; D675-L679 HydrophobicContact CB-CD1 4.3Å; D675-L679 WeakPolarHBondContact OD2-CB 3.29Å; D675-L679 PolarHBondContact OD2-N 3.45Å; D675-W680 HydrophobicContact CB-CZ2 4.06Å; D675-W680 PolarHBondContact OD2-NE1 3.3Å | ||
| 676 | D | 55.4 | Low | 50.9 | Low | 108 Ų | 108 | 70.1 Ų | 70.1 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | trans | -77.4 | -0.4 | -178.3 | -75.2 | -25.3 | 0 | 0 | 0 | 113.7 | R527 Y528 K603 R674 | R527-D676 PolarHBondContact NE-O 2.92Å; R527-D676 PolarHBondContact NH2-O 3.13Å; Y528-D676 PolarHBondContact OH-OD1 3.24Å; K603-D676 WeakPolarHBondContact CE-OD1 3.28Å; K603-D676 WeakPolarHBondContact CE-OD2 3.48Å; K603-D676 VanDerWaalsContact NZ-CG 3.25Å; K603-D676 IonicContact NZ-OD1 2.94Å; K603-D676 PolarHBondContact NZ-OD1 3.4Å; K603-D676 IonicContact NZ-OD2 2.66Å; K603-D676 PolarHBondContact NZ-OD2 3.02Å; R674-D676 PolarHBondContact O-N 3.36Å | ||
| 677 | G | 53.4 | Low | 50.3 | Low | 47 Ų | 47 | 72.8 Ų | 72.8 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -96.5 | 17.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R530 D675 L679 | R530-G677 PolarHBondContact NH2-O 2.62Å; D675-G677 PolarHBondContact O-N 3.01Å; D675-G677 VanDerWaalsContact O-N 3.12Å; D675-G677 PolarHBondContact OD2-N 2.92Å; G677-L679 VanDerWaalsContact C-N 3.29Å; G677-L679 PolarHBondContact O-N 3.29Å |
| 678 | S | 49.4 | Very low | 49.3 | Very low | 65.3333 Ų | 65.3333 | 76.9 Ų | 76.9 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | trans | -75.2 | 60.3 | -177.4 | 68 | 0 | 0 | 0 | 0 | 112.3 | D509 F672 D675 W680 R681 | D509-S678 VanDerWaalsContact OD2-CA 3.22Å; D509-S678 WeakPolarHBondContact OD2-CA 3.36Å; D509-S678 WeakPolarHBondContact OD2-CB 3.24Å; F672-S678 WeakPolarHBondContact CA-OG 3.31Å; F672-S678 WeakPolarHBondContact CD2-OG 3.49Å; D675-S678 PolarHBondContact O-OG 2.84Å; D675-S678 PolarHBondContact OD1-OG 3.44Å; D675-S678 VanDerWaalsContact OD1-OG 3.07Å; D675-S678 PolarHBondContact OD2-N 3.44Å; D675-S678 VanDerWaalsContact OD2-N 3.08Å; S678-W680 PolarHBondContact O-N 2.97Å; S678-R681 PolarHBondContact O-N 2.72Å | ||
| 679 | L | 48.4 | Very low | 48.2 | Very low | 72.6667 Ų | 72.6667 | 82.5 Ų | 82.5 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.5 | 173.1 | -71.7 | 161.3 | 0 | 0 | 0 | 111.1 | D509 F667 F672 D675 G677 R681 | D509-L679 PolarHBondContact OD2-N 2.64Å; F667-L679 HydrophobicContact CE1-CB 4.32Å; F667-L679 HydrophobicContact CE1-CD2 3.92Å; F667-L679 HydrophobicContact CZ-CB 4.49Å; F667-L679 VanDerWaalsContact CZ-O 3.23Å; F667-L679 WeakPolarHBondContact CZ-O 3.22Å; F672-L679 HydrophobicContact CD2-CD1 4.31Å; F672-L679 HydrophobicContact CE2-CD1 4.46Å; D675-L679 HydrophobicContact CB-CD1 4.3Å; D675-L679 WeakPolarHBondContact OD2-CB 3.29Å; D675-L679 PolarHBondContact OD2-N 3.45Å; G677-L679 VanDerWaalsContact C-N 3.29Å; G677-L679 PolarHBondContact O-N 3.29Å; L679-R681 PolarHBondContact O-N 3.3Å; L679-R681 VanDerWaalsContact O-N 3.13Å |
| 680 | W | 50.1 | Low | 47.2 | Very low | 40.6667 Ų | 40.6667 | 86.6 Ų | 86.6 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | trans | -75.2 | 71.1 | 176.1 | -83.1 | 90.7 | 0 | 0 | 0 | 112.5 | G403 L433 L434 G435 D509 Y528 D665 F667 D671 F672 D675 S678 P682 F709 | G403-W680 VanDerWaalsContact C-CH2 3.49Å; G403-W680 VanDerWaalsContact O-CZ2 3.26Å; G403-W680 WeakPolarHBondContact O-CZ2 3.03Å; L433-W680 PolarHBondContact O-NE1 2.72Å; L434-W680 PolarHBondContact O-NE1 3.12Å; G435-W680 VanDerWaalsContact CA-CG 3.44Å; G435-W680 VanDerWaalsContact N-CD1 3.28Å; D509-W680 VanDerWaalsContact OD2-CB 3.27Å; D509-W680 WeakPolarHBondContact OD2-CB 3.47Å; D509-W680 PolarHBondContact OD2-N 3.15Å; Y528-W680 HydrophobicContact CE2-CB 4.38Å; D665-W680 WeakPolarHBondContact O-CZ3 3.3Å; F667-W680 HydrophobicContact CB-CD2 4.19Å; F667-W680 HydrophobicContact CB-CH2 4.29Å; F667-W680 HydrophobicContact CB-CZ2 3.44Å; F667-W680 VanDerWaalsContact CB-CZ2 3.44Å; F667-W680 AromaticContact CD2-NE1 3.89Å; F667-W680 HydrophobicContact CG-CZ2 4.35Å; F667-W680 AromaticContact CG-NE1 3.52Å; D671-W680 WeakPolarHBondContact O-CZ2 3.36Å; F672-W680 HydrophobicContact CB-CH2 3.79Å; F672-W680 HydrophobicContact CB-CZ2 4.18Å; F672-W680 HydrophobicContact CD2-CE3 4.44Å; F672-W680 HydrophobicContact CD2-CH2 4.01Å; F672-W680 HydrophobicContact CD2-CZ2 4.34Å; F672-W680 HydrophobicContact CD2-CZ3 4.05Å; F672-W680 HydrophobicContact CG-CH2 4.41Å; D675-W680 HydrophobicContact CB-CZ2 4.06Å; D675-W680 PolarHBondContact OD2-NE1 3.3Å; S678-W680 PolarHBondContact O-N 2.97Å; W680-P682 VanDerWaalsContact O-CD 3.32Å; W680-P682 WeakPolarHBondContact O-CD 3.24Å; W680-F709 HydrophobicContact CH2-CD1 4.19Å; W680-F709 AromaticContact CH2-CE1 3.59Å; W680-F709 HydrophobicContact CH2-CE1 3.59Å; W680-F709 HydrophobicContact CH2-CZ 4.17Å; W680-F709 AromaticContact CZ3-CD1 3.69Å; W680-F709 HydrophobicContact CZ3-CD1 3.69Å; W680-F709 AromaticContact CZ3-CE1 3.57Å; W680-F709 HydrophobicContact CZ3-CE1 3.57Å; W680-F709 HydrophobicContact CZ3-CZ 4.29Å | ||
| 681 | R | 47.7 | Very low | 46 | Very low | 198 Ų | 198 | 89.5 Ų | 89.5 | 75% | 0.747 | 49% | 0.488 | S | S | * | . | trans | -67.1 | 129.8 | 165.3 | -71.5 | -172.7 | -175.5 | -173 | 2.3 | 108 | S678 L679 L683 | S678-R681 PolarHBondContact O-N 2.72Å; L679-R681 PolarHBondContact O-N 3.3Å; L679-R681 VanDerWaalsContact O-N 3.13Å; R681-L683 PolarHBondContact O-N 3.01Å | ||
| 682 | P | 45.1 | Very low | 44.4 | Very low | 68 Ų | 68 | 93 Ų | 93 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | trans | -56.6 | 133.4 | 172.1 | 9.5 | -10.3 | 0 | 0 | 0 | 107.9 | D509 W680 F684 | D509-P682 WeakPolarHBondContact OD1-CA 3.4Å; W680-P682 VanDerWaalsContact O-CD 3.32Å; W680-P682 WeakPolarHBondContact O-CD 3.24Å; P682-F684 HydrophobicContact CB-CD2 4.29Å; P682-F684 WeakPolarHBondContact CB-O 2.96Å; P682-F684 CarbonylContact O-C 3.54Å; P682-F684 PolarHBondContact O-N 3.34Å | ||
| 683 | L | 45.5 | Very low | 42.9 | Very low | 54 Ų | 54 | 101.8 Ų | 101.8 | 28% | 0.283 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -65.2 | -5.3 | 175.3 | -92.5 | 162.4 | 0 | 0 | 0 | 112.5 | L433 D509 Y658 L662 A666 F667 R681 E685 | L433-L683 HydrophobicContact CD2-CB 4.25Å; L433-L683 HydrophobicContact CD2-CD1 4.34Å; D509-L683 PolarHBondContact OD1-N 2.74Å; Y658-L683 HydrophobicContact CE2-CD1 3.88Å; L662-L683 HydrophobicContact CD2-CD2 4Å; A666-L683 HydrophobicContact CB-CD1 4.37Å; A666-L683 HydrophobicContact CB-CD2 4.14Å; F667-L683 HydrophobicContact CD2-CD1 3.62Å; F667-L683 HydrophobicContact CD2-CD2 3.84Å; F667-L683 HydrophobicContact CD2-CG 3.7Å; F667-L683 HydrophobicContact CE2-CD1 3.8Å; F667-L683 HydrophobicContact CE2-CD2 4.31Å; F667-L683 HydrophobicContact CE2-CG 3.66Å; F667-L683 HydrophobicContact CZ-CD1 4.37Å; R681-L683 PolarHBondContact O-N 3.01Å; L683-E685 PolarHBondContact O-N 2.89Å |
| 684 | F | 41.7 | Very low | 41.4 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 32% | 0.32 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -109.8 | 103 | 170.6 | -86.2 | -80.5 | 0 | 0 | 0 | 107.9 | Q405 D509 P682 P686 G701 I704 A706 F709 | Q405-F684 HydrophobicContact CB-CE2 4.28Å; D509-F684 WeakPolarHBondContact OD2-CB 3.43Å; D509-F684 PolarHBondContact OD2-N 3.34Å; P682-F684 HydrophobicContact CB-CD2 4.29Å; P682-F684 WeakPolarHBondContact CB-O 2.96Å; P682-F684 CarbonylContact O-C 3.54Å; P682-F684 PolarHBondContact O-N 3.34Å; F684-P686 VanDerWaalsContact O-CD 3.25Å; F684-P686 WeakPolarHBondContact O-CD 3.42Å; F684-G701 WeakPolarHBondContact CE1-O 3.32Å; F684-G701 WeakPolarHBondContact CZ-O 3.38Å; F684-I704 HydrophobicContact CE1-CB 4.31Å; F684-I704 HydrophobicContact CE2-CB 4.09Å; F684-I704 HydrophobicContact CE2-CD1 4.38Å; F684-I704 HydrophobicContact CE2-CG2 4.26Å; F684-I704 HydrophobicContact CZ-CB 3.75Å; F684-I704 HydrophobicContact CZ-CD1 4.07Å; F684-I704 HydrophobicContact CZ-CG1 4.27Å; F684-I704 HydrophobicContact CZ-CG2 4.42Å; F684-A706 HydrophobicContact CB-CB 4.06Å; F684-F709 HydrophobicContact CE1-CE1 4.11Å; F684-F709 AromaticContact CE1-CZ 3.98Å; F684-F709 HydrophobicContact CE1-CZ 3.98Å; F684-F709 HydrophobicContact CZ-CE1 4.28Å; F684-F709 AromaticContact CZ-CZ 3.82Å; F684-F709 HydrophobicContact CZ-CZ 3.82Å |
| 685 | E | 36.9 | Very low | 39.9 | Very low | 159.333 Ų | 159.333 | 111.1 Ų | 111.1 | 75% | 0.745 | 59% | 0.593 | S | S | * | * | trans | -53.5 | 131.5 | 160.5 | -113.4 | 178.9 | 178.3 | 0 | 0 | 108.4 | L683 V687 | L683-E685 PolarHBondContact O-N 2.89Å; E685-V687 VanDerWaalsContact C-N 3.33Å; E685-V687 PolarHBondContact O-N 2.98Å; E685-V687 VanDerWaalsContact O-N 3.12Å | ||
| 686 | P | 33.8 | Very low | 38.6 | Very low | 91.6667 Ų | 91.6667 | 114.7 Ų | 114.7 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | trans | -62.2 | 110.3 | 175.5 | 25.1 | -31.1 | 0 | 0 | 0 | 107.6 | F684 N688 | F684-P686 VanDerWaalsContact O-CD 3.25Å; F684-P686 WeakPolarHBondContact O-CD 3.42Å; P686-N688 VanDerWaalsContact C-N 3.27Å; P686-N688 PolarHBondContact O-N 3.05Å | ||
| 687 | V | 35.4 | Very low | 37.4 | Very low | 100.333 Ų | 100.333 | 120.1 Ų | 120.1 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | trans | -64.7 | 91.7 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | E685 Q689 A706 F709 | E685-V687 VanDerWaalsContact C-N 3.33Å; E685-V687 PolarHBondContact O-N 2.98Å; E685-V687 VanDerWaalsContact O-N 3.12Å; V687-Q689 PolarHBondContact O-N 3.02Å; V687-A706 HydrophobicContact CG1-CB 4.48Å; V687-F709 HydrophobicContact CB-CB 3.75Å; V687-F709 HydrophobicContact CB-CG 4.38Å; V687-F709 HydrophobicContact CG1-CB 4.01Å; V687-F709 HydrophobicContact CG2-CB 3.53Å; V687-F709 HydrophobicContact CG2-CD2 3.6Å; V687-F709 HydrophobicContact CG2-CE2 4.47Å; V687-F709 HydrophobicContact CG2-CG 3.63Å | ||
| 688 | N | 30.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | trans | -90.9 | 96.4 | 172.5 | -86.8 | -30.2 | 0 | 0 | 0 | 109.4 | P686 A690 A691 R719 | P686-N688 VanDerWaalsContact C-N 3.27Å; P686-N688 PolarHBondContact O-N 3.05Å; N688-A690 PolarHBondContact O-N 2.97Å; N688-A691 PolarHBondContact O-N 3.41Å; N688-R719 PolarHBondContact ND2-O 3.26Å | ||
| 689 | Q | 31.7 | Very low | 36.1 | Very low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -80.3 | 26.3 | 177.6 | -69.3 | -178.9 | -5 | 0 | 0 | 114.1 | V687 | V687-Q689 PolarHBondContact O-N 3.02Š|
| 690 | A | 30.9 | Very low | 35.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 16.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N688 | N688-A690 PolarHBondContact O-N 2.97Š|
| 691 | A | 30.4 | Very low | 35.5 | Very low | 89.6667 Ų | 89.6667 | 125.1 Ų | 125.1 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | trans | -110.7 | 66.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | N688 F693 | N688-A691 PolarHBondContact O-N 3.41Å; A691-F693 VanDerWaalsContact C-N 3.26Å; A691-F693 PolarHBondContact O-N 3.05Å; A691-F693 VanDerWaalsContact O-N 3.16Å | ||
| 692 | M | 26.4 | Very low | 35.3 | Very low | 138.333 Ų | 138.333 | 123.6 Ų | 123.6 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | trans | -71.8 | 43.9 | 173.7 | -66.8 | -155.8 | 81.8 | 0 | 0 | 116 | S710 | M692-S710 WeakPolarHBondContact CE-OG 3.4Š| ||
| 693 | F | 29.3 | Very low | 35.1 | Very low | 190.333 Ų | 190.333 | 123.9 Ų | 123.9 | 84% | 0.835 | 65% | 0.648 | S | S | * | * | trans | -148 | 106 | 153.8 | -79.6 | -76.6 | 0 | 0 | 0 | 111.6 | A691 | A691-F693 VanDerWaalsContact C-N 3.26Å; A691-F693 PolarHBondContact O-N 3.05Å; A691-F693 VanDerWaalsContact O-N 3.16Å | ||
| 694 | E | 28.6 | Very low | 34.9 | Very low | 180.667 Ų | 180.667 | 124.4 Ų | 124.4 | 84% | 0.844 | 65% | 0.65 | S | S | * | * | trans | -133.4 | 137.6 | 165.8 | -100.9 | 163.6 | 169.8 | 0 | 0 | 112.3 | D696 | E694-D696 PolarHBondContact O-N 3.16Å; E694-D696 VanDerWaalsContact O-N 3.14Å | ||
| 695 | E | 29.8 | Very low | 35 | Very low | 187.333 Ų | 187.333 | 124.4 Ų | 124.4 | 88% | 0.875 | 66% | 0.657 | S | S | * | * | trans | -43.6 | 120.7 | 176.9 | -67.3 | 179.9 | 148.1 | 0 | 0 | 116.9 | R697 | E695-R697 PolarHBondContact O-N 3.13Š| ||
| 696 | D | 30 | Very low | 35 | Very low | 145.333 Ų | 145.333 | 119.3 Ų | 119.3 | 78% | 0.777 | 64% | 0.643 | S | S | * | * | trans | 75.2 | 79.8 | 150 | -94.4 | -10.5 | 0 | 0 | 0 | 117.8 | E694 S698 | E694-D696 PolarHBondContact O-N 3.16Å; E694-D696 VanDerWaalsContact O-N 3.14Å; D696-S698 PolarHBondContact O-N 3.35Å; D696-S698 VanDerWaalsContact O-N 3.13Å | ||
| 697 | R | 30.9 | Very low | 35.2 | Very low | 219.667 Ų | 219.667 | 121.3 Ų | 121.3 | 83% | 0.829 | 65% | 0.648 | S | S | * | * | trans | -77.3 | 80.7 | 158.3 | -81.6 | -179.5 | 173.4 | -179.8 | -2.3 | 115.5 | E695 D699 | E695-R697 PolarHBondContact O-N 3.13Å; R697-D699 VanDerWaalsContact C-N 3.26Å; R697-D699 PolarHBondContact O-N 3.28Å | ||
| 698 | S | 34.3 | Very low | 35.4 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | trans | -56.9 | 73.7 | 163.8 | 59.6 | 0 | 0 | 0 | 0 | 115.3 | D696 F700 | D696-S698 PolarHBondContact O-N 3.35Å; D696-S698 VanDerWaalsContact O-N 3.13Å; S698-F700 PolarHBondContact O-N 2.88Å | ||
| 699 | D | 41.1 | Very low | 35.8 | Very low | 111.333 Ų | 111.333 | 120.6 Ų | 120.6 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | trans | -104.1 | 130 | 160.2 | -89 | -21.2 | 0 | 0 | 0 | 111.5 | R697 G701 K702 | R697-D699 VanDerWaalsContact C-N 3.26Å; R697-D699 PolarHBondContact O-N 3.28Å; D699-G701 PolarHBondContact O-N 3.17Å; D699-K702 HydrophobicContact CB-CB 4.07Å; D699-K702 HydrophobicContact CB-CD 3.83Å; D699-K702 HydrophobicContact CB-CG 4.06Å; D699-K702 WeakPolarHBondContact O-CB 3.26Å; D699-K702 PolarHBondContact O-N 2.98Å; D699-K702 VanDerWaalsContact OD2-CE 3.27Å; D699-K702 WeakPolarHBondContact OD2-CE 3.41Å; D699-K702 IonicContact OD2-NZ 3.04Å; D699-K702 PolarHBondContact OD2-NZ 3.02Å | ||
| 700 | F | 41.2 | Very low | 35.7 | Very low | 99.3333 Ų | 99.3333 | 115.9 Ų | 115.9 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | 121.4 | 178.8 | -169.6 | -91.6 | 0 | 0 | 0 | 111.1 | Q364 E366 Q375 Y658 S698 | Q364-F700 HydrophobicContact CB-CE2 4.31Å; Q364-F700 HydrophobicContact CG-CD2 4.13Å; Q364-F700 HydrophobicContact CG-CE2 3.75Å; Q364-F700 HydrophobicContact CG-CZ 4.48Å; E366-F700 HydrophobicContact CB-CD2 4.15Å; E366-F700 HydrophobicContact CB-CE2 4.27Å; E366-F700 VanDerWaalsContact CD-CD2 3.44Å; E366-F700 HydrophobicContact CG-CD2 3.67Å; E366-F700 HydrophobicContact CG-CE2 4Å; Q375-F700 HydrophobicContact CB-CE1 3.68Å; Q375-F700 HydrophobicContact CB-CZ 3.53Å; Q375-F700 VanDerWaalsContact OE1-CE1 3.31Å; Y658-F700 HydrophobicContact CD1-CD1 4.3Å; Y658-F700 HydrophobicContact CD1-CE1 4.37Å; Y658-F700 AromaticContact CE1-CD1 3.67Å; Y658-F700 HydrophobicContact CE1-CD1 3.67Å; Y658-F700 VanDerWaalsContact CE1-CD1 3.48Å; Y658-F700 AromaticContact CE1-CE1 3.32Å; Y658-F700 HydrophobicContact CE1-CE1 3.32Å; Y658-F700 VanDerWaalsContact CE1-CE1 3.4Å; Y658-F700 HydrophobicContact CE1-CZ 4.23Å; Y658-F700 AromaticContact CZ-CE1 3.54Å; Y658-F700 VanDerWaalsContact CZ-CE1 3.44Å; Y658-F700 VanDerWaalsContact OH-CE1 3.24Å; Y658-F700 WeakPolarHBondContact OH-CE1 3.34Å; Y658-F700 WeakPolarHBondContact OH-CZ 3.4Å; S698-F700 PolarHBondContact O-N 2.88Å |
| 701 | G | 45.1 | Very low | 35.7 | Very low | 32.6667 Ų | 32.6667 | 116.6 Ų | 116.6 | 34% | 0.337 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 93.3 | 14.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | F684 D699 | F684-G701 WeakPolarHBondContact CE1-O 3.32Å; F684-G701 WeakPolarHBondContact CZ-O 3.38Å; D699-G701 PolarHBondContact O-N 3.17Å |
| 702 | K | 43.3 | Very low | 35.6 | Very low | 165.333 Ų | 165.333 | 117.4 Ų | 117.4 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 11.7 | 166.9 | -85.4 | 178.5 | -173.6 | 164.9 | 0 | 113.4 | D699 I704 | D699-K702 HydrophobicContact CB-CB 4.07Å; D699-K702 HydrophobicContact CB-CD 3.83Å; D699-K702 HydrophobicContact CB-CG 4.06Å; D699-K702 WeakPolarHBondContact O-CB 3.26Å; D699-K702 PolarHBondContact O-N 2.98Å; D699-K702 VanDerWaalsContact OD2-CE 3.27Å; D699-K702 WeakPolarHBondContact OD2-CE 3.41Å; D699-K702 IonicContact OD2-NZ 3.04Å; D699-K702 PolarHBondContact OD2-NZ 3.02Å; K702-I704 VanDerWaalsContact C-N 3.27Å; K702-I704 PolarHBondContact O-N 3.43Å |
| 703 | T | 40.4 | Very low | 35.6 | Very low | 74.3333 Ų | 74.3333 | 119.2 Ų | 119.2 | 46% | 0.456 | 61% | 0.608 | S | S | . | * | trans | -49.2 | 65.5 | 166.1 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | Y362 P705 | Y362-T703 PolarHBondContact OH-OG1 3.34Å; T703-P705 VanDerWaalsContact O-CD 3.23Å; T703-P705 WeakPolarHBondContact O-CD 3.31Å | ||
| 704 | I | 41.6 | Very low | 35.6 | Very low | 64.6667 Ų | 64.6667 | 116.7 Ų | 116.7 | 33% | 0.332 | 60% | 0.598 | S | S | . | * | trans | -106.4 | 126.6 | 136.3 | -71.4 | 166.7 | 0 | 0 | 0 | 107.3 | Y362 T377 F684 K702 A706 W708 F709 | Y362-I704 HydrophobicContact CD1-CD1 4.48Å; Y362-I704 HydrophobicContact CD1-CG1 4.18Å; Y362-I704 HydrophobicContact CE1-CG1 4.17Å; T377-I704 HydrophobicContact CG2-CD1 4.45Å; F684-I704 HydrophobicContact CE1-CB 4.31Å; F684-I704 HydrophobicContact CE2-CB 4.09Å; F684-I704 HydrophobicContact CE2-CD1 4.38Å; F684-I704 HydrophobicContact CE2-CG2 4.26Å; F684-I704 HydrophobicContact CZ-CB 3.75Å; F684-I704 HydrophobicContact CZ-CD1 4.07Å; F684-I704 HydrophobicContact CZ-CG1 4.27Å; F684-I704 HydrophobicContact CZ-CG2 4.42Å; K702-I704 VanDerWaalsContact C-N 3.27Å; K702-I704 PolarHBondContact O-N 3.43Å; I704-A706 PolarHBondContact O-N 2.82Å; I704-W708 HydrophobicContact CG2-CD2 4.43Å; I704-W708 HydrophobicContact CG2-CE3 3.65Å; I704-W708 HydrophobicContact CG2-CZ3 3.92Å; I704-F709 HydrophobicContact CG2-CD2 3.84Å; I704-F709 HydrophobicContact CG2-CE2 3.81Å; I704-F709 VanDerWaalsContact CG2-CE2 3.45Å | ||
| 705 | P | 43.2 | Very low | 35.5 | Very low | 72.3333 Ų | 72.3333 | 112 Ų | 112 | 47% | 0.47 | 59% | 0.586 | S | S | . | * | trans | -69.1 | 126.7 | 177.1 | -2.4 | 11.4 | 0 | 0 | 0 | 110.6 | T703 D707 W708 | T703-P705 VanDerWaalsContact O-CD 3.23Å; T703-P705 WeakPolarHBondContact O-CD 3.31Å; P705-D707 HydrophobicContact CB-CB 4.36Å; P705-D707 PolarHBondContact O-N 2.91Å; P705-W708 HydrophobicContact CB-CD2 4.41Å; P705-W708 HydrophobicContact CB-CG 4.17Å; P705-W708 HydrophobicContact CG-CD2 4.12Å; P705-W708 VanDerWaalsContact CG-CE2 3.42Å; P705-W708 HydrophobicContact CG-CG 4.18Å; P705-W708 HydrophobicContact CG-CH2 4.3Å; P705-W708 HydrophobicContact CG-CZ2 3.86Å; P705-W708 WeakPolarHBondContact O-CB 3.3Å; P705-W708 PolarHBondContact O-N 3.08Å | ||
| 706 | A | 37.6 | Very low | 35.3 | Very low | 52.3333 Ų | 52.3333 | 108.5 Ų | 108.5 | 43% | 0.433 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -81.6 | -31.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F684 V687 I704 W708 F709 S710 | F684-A706 HydrophobicContact CB-CB 4.06Å; V687-A706 HydrophobicContact CG1-CB 4.48Å; I704-A706 PolarHBondContact O-N 2.82Å; A706-W708 PolarHBondContact O-N 3.08Å; A706-W708 VanDerWaalsContact O-N 3.17Å; A706-F709 CarbonylContact O-C 3.52Å; A706-F709 PolarHBondContact O-N 2.76Å; A706-S710 WeakPolarHBondContact O-CB 3.39Å; A706-S710 PolarHBondContact O-N 3.49Å; A706-S710 PolarHBondContact O-OG 2.84Å |
| 707 | D | 36.7 | Very low | 35.1 | Very low | 134 Ų | 134 | 109.4 Ų | 109.4 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -26.9 | 8.1 | 169.4 | -54.6 | -6.3 | 0 | 0 | 0 | 116.2 | P705 F709 S710 | P705-D707 HydrophobicContact CB-CB 4.36Å; P705-D707 PolarHBondContact O-N 2.91Å; D707-F709 VanDerWaalsContact C-N 3.28Å; D707-F709 PolarHBondContact O-N 3.35Å; D707-S710 WeakPolarHBondContact CA-OG 3.47Å; D707-S710 PolarHBondContact N-OG 2.91Å |
| 708 | W | 40 | Very low | 34.9 | Very low | 110.333 Ų | 110.333 | 106.3 Ų | 106.3 | 42% | 0.418 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -78.8 | -22 | 171.7 | -70.5 | -2.2 | 0 | 0 | 0 | 112.7 | K360 Y362 I704 P705 A706 | K360-W708 HydrophobicContact CD-CD2 4.49Å; K360-W708 HydrophobicContact CD-CZ2 4.1Å; Y362-W708 AromaticContact CD2-CH2 3.98Å; Y362-W708 HydrophobicContact CD2-CH2 3.98Å; Y362-W708 HydrophobicContact CD2-CZ3 4.3Å; Y362-W708 HydrophobicContact CG-CH2 4.19Å; Y362-W708 HydrophobicContact CG-CZ3 4.03Å; I704-W708 HydrophobicContact CG2-CD2 4.43Å; I704-W708 HydrophobicContact CG2-CE3 3.65Å; I704-W708 HydrophobicContact CG2-CZ3 3.92Å; P705-W708 HydrophobicContact CB-CD2 4.41Å; P705-W708 HydrophobicContact CB-CG 4.17Å; P705-W708 HydrophobicContact CG-CD2 4.12Å; P705-W708 VanDerWaalsContact CG-CE2 3.42Å; P705-W708 HydrophobicContact CG-CG 4.18Å; P705-W708 HydrophobicContact CG-CH2 4.3Å; P705-W708 HydrophobicContact CG-CZ2 3.86Å; P705-W708 WeakPolarHBondContact O-CB 3.3Å; P705-W708 PolarHBondContact O-N 3.08Å; A706-W708 PolarHBondContact O-N 3.08Å; A706-W708 VanDerWaalsContact O-N 3.17Å |
| 709 | F | 39.3 | Very low | 34.4 | Very low | 94.3333 Ų | 94.3333 | 111.2 Ų | 111.2 | 41% | 0.414 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -126.7 | 28.2 | -178.7 | -60.8 | -76.1 | 0 | 0 | 0 | 114.5 | T377 W680 F684 V687 I704 A706 D707 M711 | T377-F709 HydrophobicContact CG2-CE2 4.08Å; T377-F709 HydrophobicContact CG2-CZ 3.46Å; T377-F709 VanDerWaalsContact CG2-CZ 3.46Å; W680-F709 HydrophobicContact CH2-CD1 4.19Å; W680-F709 AromaticContact CH2-CE1 3.59Å; W680-F709 HydrophobicContact CH2-CE1 3.59Å; W680-F709 HydrophobicContact CH2-CZ 4.17Å; W680-F709 AromaticContact CZ3-CD1 3.69Å; W680-F709 HydrophobicContact CZ3-CD1 3.69Å; W680-F709 AromaticContact CZ3-CE1 3.57Å; W680-F709 HydrophobicContact CZ3-CE1 3.57Å; W680-F709 HydrophobicContact CZ3-CZ 4.29Å; F684-F709 HydrophobicContact CE1-CE1 4.11Å; F684-F709 AromaticContact CE1-CZ 3.98Å; F684-F709 HydrophobicContact CE1-CZ 3.98Å; F684-F709 HydrophobicContact CZ-CE1 4.28Å; F684-F709 AromaticContact CZ-CZ 3.82Å; F684-F709 HydrophobicContact CZ-CZ 3.82Å; V687-F709 HydrophobicContact CB-CB 3.75Å; V687-F709 HydrophobicContact CB-CG 4.38Å; V687-F709 HydrophobicContact CG1-CB 4.01Å; V687-F709 HydrophobicContact CG2-CB 3.53Å; V687-F709 HydrophobicContact CG2-CD2 3.6Å; V687-F709 HydrophobicContact CG2-CE2 4.47Å; V687-F709 HydrophobicContact CG2-CG 3.63Å; I704-F709 HydrophobicContact CG2-CD2 3.84Å; I704-F709 HydrophobicContact CG2-CE2 3.81Å; I704-F709 VanDerWaalsContact CG2-CE2 3.45Å; A706-F709 CarbonylContact O-C 3.52Å; A706-F709 PolarHBondContact O-N 2.76Å; D707-F709 VanDerWaalsContact C-N 3.28Å; D707-F709 PolarHBondContact O-N 3.35Å; F709-M711 PolarHBondContact O-N 2.97Å |
| 710 | S | 30.6 | Very low | 33.6 | Very low | 81.6667 Ų | 81.6667 | 110.7 Ų | 110.7 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | trans | -102.4 | 113.3 | 160.5 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | M692 A706 D707 | M692-S710 WeakPolarHBondContact CE-OG 3.4Å; A706-S710 WeakPolarHBondContact O-CB 3.39Å; A706-S710 PolarHBondContact O-N 3.49Å; A706-S710 PolarHBondContact O-OG 2.84Å; D707-S710 WeakPolarHBondContact CA-OG 3.47Å; D707-S710 PolarHBondContact N-OG 2.91Å | ||
| 711 | M | 29.2 | Very low | 32.9 | Very low | 114.667 Ų | 114.667 | 111 Ų | 111 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | trans | -60.8 | 133.3 | 168.3 | -86.2 | -126 | -49.8 | 0 | 0 | 109.6 | F709 Q713 T809 Y811 | F709-M711 PolarHBondContact O-N 2.97Å; M711-Q713 PolarHBondContact O-N 3.18Å; M711-T809 HydrophobicContact SD-CG2 3.78Å; M711-Y811 HydrophobicContact CG-CE1 3.83Å; M711-Y811 WeakPolarHBondContact CG-OH 3.43Å | ||
| 712 | P | 29.4 | Very low | 32 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | trans | -65.5 | 115 | 178.1 | 26 | -31.5 | 0 | 0 | 0 | 109.7 | H714 | P712-H714 PolarHBondContact O-CD2 2.98Å; P712-H714 PolarHBondContact O-N 3.5Å | ||
| 713 | Q | 26.2 | Very low | 31.1 | Very low | 176.333 Ų | 176.333 | 112 Ų | 112 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | trans | -75.8 | 120.5 | 162.4 | -73.4 | -170 | -9 | 0 | 0 | 108.7 | M711 S715 | M711-Q713 PolarHBondContact O-N 3.18Å; Q713-S715 PolarHBondContact O-N 3.37Å; Q713-S715 VanDerWaalsContact O-N 3.13Å | ||
| 714 | H | 29.3 | Very low | 30.4 | Very low | 136.333 Ų | 136.333 | 113.6 Ų | 113.6 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | trans | -43.3 | 106.8 | 168 | -84 | -71.8 | 0 | 0 | 0 | 113 | P712 S716 | P712-H714 PolarHBondContact O-CD2 2.98Å; P712-H714 PolarHBondContact O-N 3.5Å; H714-S716 PolarHBondContact O-N 3.14Å | ||
| 715 | S | 25.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 116 Ų | 116 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | trans | -29.2 | 115.8 | 149.9 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | Q713 E717 R805 | Q713-S715 PolarHBondContact O-N 3.37Å; Q713-S715 VanDerWaalsContact O-N 3.13Å; S715-E717 PolarHBondContact O-N 3.43Å; S715-R805 VanDerWaalsContact CB-NH1 3.31Å | ||
| 716 | S | 26.2 | Very low | 28.6 | Very low | 114.333 Ų | 114.333 | 124.3 Ų | 124.3 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -99.8 | 93.1 | 155.6 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | H714 L718 | H714-S716 PolarHBondContact O-N 3.14Å; S716-L718 PolarHBondContact O-N 3.01Å | ||
| 717 | E | 25.4 | Very low | 28 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -95.9 | 91.3 | 160.4 | -70.8 | -172 | 176.6 | 0 | 0 | 113.7 | S715 | S715-E717 PolarHBondContact O-N 3.43Š| ||
| 718 | L | 26.3 | Very low | 27.5 | Very low | 154.667 Ų | 154.667 | 128.6 Ų | 128.6 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | trans | -143.5 | 89.7 | 139.7 | -103.9 | 149.8 | 0 | 0 | 0 | 108.6 | S716 | S716-L718 PolarHBondContact O-N 3.01Š| ||
| 719 | R | 24.5 | Very low | 26.8 | Very low | 191.667 Ų | 191.667 | 128.1 Ų | 128.1 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | trans | -111.6 | 138.6 | 165.7 | -84 | 171.8 | -177.6 | -174.2 | 2.5 | 109.1 | N688 L808 | N688-R719 PolarHBondContact ND2-O 3.26Å; R719-L808 PolarHBondContact NH2-O 3.12Å | ||
| 720 | S | 25 | Very low | 26.3 | Very low | 101.667 Ų | 101.667 | 128.4 Ų | 128.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 89.9 | 117.9 | 155.5 | 57 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 721 | S | 25.1 | Very low | 26.1 | Very low | 104.667 Ų | 104.667 | 128.7 Ų | 128.7 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | -80.1 | 130.4 | 146.3 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 722 | S | 25.9 | Very low | 26 | Very low | 105.667 Ų | 105.667 | 130.5 Ų | 130.5 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | -173.9 | 124.8 | 101.8 | 48.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 723 | S | 25.2 | Very low | 26 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 39.8 | 120.4 | 143.2 | 61.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 724 | S | 25.5 | Very low | 26.3 | Very low | 108.667 Ų | 108.667 | 132.2 Ų | 132.2 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -130.5 | 123.1 | 145.4 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | W726 | S724-W726 PolarHBondContact O-N 3.43Å; S724-W726 VanDerWaalsContact O-N 3.15Å; S724-W726 PolarHBondContact OG-NE1 3.41Å; S724-W726 VanDerWaalsContact OG-NE1 3.11Å | ||
| 725 | S | 24.6 | Very low | 26.4 | Very low | 114.333 Ų | 114.333 | 133.7 Ų | 133.7 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -83.7 | 140.7 | 166.4 | 81.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 726 | W | 23.7 | Very low | 26.5 | Very low | 245.667 Ų | 245.667 | 137.1 Ų | 137.1 | 93% | 0.931 | 77% | 0.77 | S | S | * | * | trans | -114 | 127.7 | 166.9 | -73.4 | 8 | 0 | 0 | 0 | 109.9 | S724 | S724-W726 PolarHBondContact O-N 3.43Å; S724-W726 VanDerWaalsContact O-N 3.15Å; S724-W726 PolarHBondContact OG-NE1 3.41Å; S724-W726 VanDerWaalsContact OG-NE1 3.11Å | ||
| 727 | S | 24.5 | Very low | 26.5 | Very low | 110.333 Ų | 110.333 | 136.5 Ų | 136.5 | 77% | 0.772 | 77% | 0.771 | S | S | * | * | trans | -73.4 | 135.1 | 175 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | S729 | S727-S729 PolarHBondContact O-N 3.08Š| ||
| 728 | I | 25.2 | Very low | 26.6 | Very low | 166.333 Ų | 166.333 | 132.6 Ų | 132.6 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -90.9 | 125.3 | 154.9 | -76.9 | 159.9 | 0 | 0 | 0 | 108.2 | ||||
| 729 | S | 25.6 | Very low | 26.6 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -80.1 | 139.2 | 176.3 | 51.7 | 0 | 0 | 0 | 0 | 111.1 | S727 A731 | S727-S729 PolarHBondContact O-N 3.08Å; S729-A731 PolarHBondContact O-N 3.22Å | ||
| 730 | S | 28.2 | Very low | 26.7 | Very low | 100.667 Ų | 100.667 | 135.9 Ų | 135.9 | 70% | 0.704 | 78% | 0.779 | S | S | * | * | trans | 32.3 | 113.2 | 164.4 | 55.3 | 0 | 0 | 0 | 0 | 116.2 | D732 | S730-D732 VanDerWaalsContact CB-OD2 3.25Å; S730-D732 WeakPolarHBondContact CB-OD2 3.38Å; S730-D732 PolarHBondContact O-N 3.48Å; S730-D732 VanDerWaalsContact O-N 3.12Å; S730-D732 PolarHBondContact OG-OD2 2.93Å; S730-D732 VanDerWaalsContact OG-OD2 3.11Å | ||
| 731 | A | 27.3 | Very low | 26.8 | Very low | 89.6667 Ų | 89.6667 | 134.6 Ų | 134.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -123.6 | 50.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S729 E733 | S729-A731 PolarHBondContact O-N 3.22Å; A731-E733 VanDerWaalsContact C-N 3.25Å; A731-E733 PolarHBondContact O-N 3.11Å; A731-E733 VanDerWaalsContact O-N 3.13Å | ||
| 732 | D | 27.3 | Very low | 27 | Very low | 151.333 Ų | 151.333 | 135.5 Ų | 135.5 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | trans | -79.8 | 76.9 | 169.3 | -68.1 | -34.8 | 0 | 0 | 0 | 108.7 | S730 | S730-D732 VanDerWaalsContact CB-OD2 3.25Å; S730-D732 WeakPolarHBondContact CB-OD2 3.38Å; S730-D732 PolarHBondContact O-N 3.48Å; S730-D732 VanDerWaalsContact O-N 3.12Å; S730-D732 PolarHBondContact OG-OD2 2.93Å; S730-D732 VanDerWaalsContact OG-OD2 3.11Å | ||
| 733 | E | 29.8 | Very low | 27 | Very low | 184.333 Ų | 184.333 | 135.7 Ų | 135.7 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -166.5 | 46.8 | 166.7 | -86.9 | 176 | -169.7 | 0 | 0 | 111 | A731 F735 | A731-E733 VanDerWaalsContact C-N 3.25Å; A731-E733 PolarHBondContact O-N 3.11Å; A731-E733 VanDerWaalsContact O-N 3.13Å; E733-F735 PolarHBondContact O-N 3.09Å | ||
| 734 | F | 32.5 | Very low | 26.9 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 60% | 0.596 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -125.1 | -5.7 | 177 | -152.5 | -99.3 | 0 | 0 | 0 | 115.6 | S395 S396 E804 | S395-F734 WeakPolarHBondContact OG-CE2 3.48Å; S396-F734 VanDerWaalsContact CB-CZ 3.4Å; F734-E804 VanDerWaalsContact CZ-OE1 3.29Å; F734-E804 WeakPolarHBondContact CZ-OE1 3.32Å |
| 735 | F | 31 | Very low | 27.1 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 74% | 0.737 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -125.5 | 17.4 | 178.4 | -78 | -80.3 | 0 | 0 | 0 | 114.1 | E733 | E733-F735 PolarHBondContact O-N 3.09Š|
| 736 | D | 27.4 | Very low | 27.2 | Very low | 154.667 Ų | 154.667 | 145.3 Ų | 145.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -109.7 | 22.2 | 175.3 | -86.7 | -27 | 0 | 0 | 0 | 113.6 | A738 | D736-A738 VanDerWaalsContact C-N 3.33Å; D736-A738 PolarHBondContact O-N 3.02Å; D736-A738 VanDerWaalsContact O-N 3.15Å | ||
| 737 | A | 27.2 | Very low | 27.4 | Very low | 100.667 Ų | 100.667 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 65.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y739 | A737-Y739 PolarHBondContact O-N 3.06Š|
| 738 | A | 26.5 | Very low | 27.7 | Very low | 82.3333 Ų | 82.3333 | 144.5 Ų | 144.5 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 60.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D736 E740 | D736-A738 VanDerWaalsContact C-N 3.33Å; D736-A738 PolarHBondContact O-N 3.02Å; D736-A738 VanDerWaalsContact O-N 3.15Å; A738-E740 PolarHBondContact O-N 3.37Å |
| 739 | Y | 27.1 | Very low | 27.8 | Very low | 221.333 Ų | 221.333 | 143.6 Ų | 143.6 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -96.9 | 82.7 | 149.8 | -86.8 | -82.7 | 0 | 0 | 0 | 112.4 | A737 A741 | A737-Y739 PolarHBondContact O-N 3.06Å; Y739-A741 PolarHBondContact O-N 2.8Å; Y739-A741 VanDerWaalsContact O-N 3.17Å | ||
| 740 | E | 27.1 | Very low | 28.1 | Very low | 192.667 Ų | 192.667 | 147 Ų | 147 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | trans | -76.6 | 101.1 | 151.6 | -77.7 | -167 | 162.7 | 0 | 0 | 108.1 | A738 P742 | A738-E740 PolarHBondContact O-N 3.37Å; E740-P742 WeakPolarHBondContact O-CD 3.31Å | ||
| 741 | A | 25.6 | Very low | 28 | Very low | 74.3333 Ų | 74.3333 | 147.1 Ų | 147.1 | 61% | 0.614 | 79% | 0.785 | S | S | * | * | trans | -68.4 | 122.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y739 C743 | Y739-A741 PolarHBondContact O-N 2.8Å; Y739-A741 VanDerWaalsContact O-N 3.17Å; A741-C743 PolarHBondContact O-N 3.09Å; A741-C743 VanDerWaalsContact O-N 3.13Å | ||
| 742 | P | 29.9 | Very low | 28 | Very low | 124.333 Ų | 124.333 | 151.7 Ų | 151.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -76.9 | 102.3 | 171.5 | 30.2 | -30.1 | 0 | 0 | 0 | 108.8 | E740 I744 | E740-P742 WeakPolarHBondContact O-CD 3.31Å; P742-I744 PolarHBondContact O-N 3.23Å | ||
| 743 | C | 25.1 | Very low | 28.1 | Very low | 109.667 Ų | 109.667 | 150.7 Ų | 150.7 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -88.9 | 108.2 | 169.5 | -67.3 | 0 | 0 | 0 | 0 | 108.9 | A741 I745 | A741-C743 PolarHBondContact O-N 3.09Å; A741-C743 VanDerWaalsContact O-N 3.13Å; C743-I745 VanDerWaalsContact C-N 3.31Å; C743-I745 HydrophobicContact CB-CG1 4.41Å; C743-I745 PolarHBondContact O-N 3.45Å | ||
| 744 | I | 24.7 | Very low | 28.2 | Very low | 152.333 Ų | 152.333 | 147.7 Ų | 147.7 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | -69 | 111.7 | 118.8 | -63.2 | 161.8 | 0 | 0 | 0 | 110.3 | P742 R746 | P742-I744 PolarHBondContact O-N 3.23Å; I744-R746 HydrophobicContact CG2-CG 4.22Å; I744-R746 PolarHBondContact O-N 2.85Å | |||
| 745 | I | 29.5 | Very low | 28.1 | Very low | 164.333 Ų | 164.333 | 146.8 Ų | 146.8 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -114.5 | 122.6 | 145 | -72.2 | 170.4 | 0 | 0 | 0 | 107.7 | C743 K747 | C743-I745 VanDerWaalsContact C-N 3.31Å; C743-I745 HydrophobicContact CB-CG1 4.41Å; C743-I745 PolarHBondContact O-N 3.45Å; I745-K747 PolarHBondContact O-N 2.97Å | ||
| 746 | R | 26.3 | Very low | 28 | Very low | 223.333 Ų | 223.333 | 144.7 Ų | 144.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -60.6 | 136.3 | -178.5 | -71.2 | 171.7 | 168.9 | 155.2 | -4.5 | 112 | I744 D748 | I744-R746 HydrophobicContact CG2-CG 4.22Å; I744-R746 PolarHBondContact O-N 2.85Å; R746-D748 PolarHBondContact O-N 3.49Å | ||
| 747 | K | 28.5 | Very low | 27.9 | Very low | 197.667 Ų | 197.667 | 142.7 Ų | 142.7 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -124.9 | 122.4 | 142.2 | -92.8 | 179.8 | 176.5 | 179.1 | 0 | 111 | I745 | I745-K747 PolarHBondContact O-N 2.97Š| ||
| 748 | D | 29.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 130.8 | 158.9 | -65.4 | -40 | 0 | 0 | 0 | 115.7 | R746 | R746-D748 PolarHBondContact O-N 3.49Š| ||
| 749 | N | 27.4 | Very low | 27.9 | Very low | 147.667 Ų | 147.667 | 144.3 Ų | 144.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 14.4 | 117.4 | 154.6 | -58.5 | -31 | 0 | 0 | 0 | 117.8 | ||||
| 750 | L | 31.6 | Very low | 27.8 | Very low | 172.333 Ų | 172.333 | 139 Ų | 139 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | -166 | 134.8 | 127.1 | -98.7 | 151.9 | 0 | 0 | 0 | 110.7 | |||||
| 751 | S | 27.5 | Very low | 27.8 | Very low | 101.667 Ų | 101.667 | 139.1 Ų | 139.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -54.5 | 126.1 | 176.7 | 53.7 | 0 | 0 | 0 | 0 | 115 | T753 | S751-T753 PolarHBondContact O-N 2.79Š| ||
| 752 | E | 27.4 | Very low | 27.9 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -145.9 | 135.6 | 141.8 | -90.1 | 175.1 | 175 | 0 | 0 | 112 | ||||
| 753 | T | 28.1 | Very low | 27.6 | Very low | 130.333 Ų | 130.333 | 141 Ų | 141 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 129.9 | 168.4 | 47.1 | 0 | 0 | 0 | 0 | 113.6 | S751 | S751-T753 PolarHBondContact O-N 2.79Š| ||
| 754 | P | 33.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 147.3 | 179.7 | 33.5 | -32.2 | 0 | 0 | 0 | 112.3 | ||
| 755 | P | 28.9 | Very low | 27.9 | Very low | 118.667 Ų | 118.667 | 142.6 Ų | 142.6 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 147.8 | -179.9 | 33.2 | -31.4 | 0 | 0 | 0 | 112 | ||
| 756 | P | 29.6 | Very low | 27.9 | Very low | 122.333 Ų | 122.333 | 142.6 Ų | 142.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80 | 154.4 | 178.3 | 33.2 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 757 | S | 26 | Very low | 28 | Very low | 113.667 Ų | 113.667 | 139.3 Ų | 139.3 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | 60.3 | 111.1 | 167.9 | 66.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 758 | S | 27.4 | Very low | 28 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -162.6 | 53.2 | 142.9 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 759 | A | 25.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -131.2 | 78.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109 | F761 | A759-F761 PolarHBondContact O-N 3.03Š| ||
| 760 | S | 25.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -101 | 71.7 | 166.6 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | T762 | S760-T762 VanDerWaalsContact C-N 3.28Å; S760-T762 PolarHBondContact O-N 2.87Å; S760-T762 VanDerWaalsContact O-N 3.16Å | ||
| 761 | F | 26.1 | Very low | 27.7 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -99.9 | 89 | 153.1 | -129.8 | -86.7 | 0 | 0 | 0 | 106.6 | A759 T763 | A759-F761 PolarHBondContact O-N 3.03Å; F761-T763 VanDerWaalsContact C-N 3.3Å; F761-T763 HydrophobicContact CD1-CG2 4.08Å; F761-T763 PolarHBondContact O-N 2.83Å; F761-T763 VanDerWaalsContact O-N 3.13Å | ||
| 762 | T | 27.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -44.8 | 91 | 165.3 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | S760 I764 | S760-T762 VanDerWaalsContact C-N 3.28Å; S760-T762 PolarHBondContact O-N 2.87Å; S760-T762 VanDerWaalsContact O-N 3.16Å; T762-I764 PolarHBondContact O-N 3.29Å | ||
| 763 | T | 24.6 | Very low | 28 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.9 | 146 | 43.5 | 0 | 0 | 0 | 0 | 107.9 | F761 D765 | F761-T763 VanDerWaalsContact C-N 3.3Å; F761-T763 HydrophobicContact CD1-CG2 4.08Å; F761-T763 PolarHBondContact O-N 2.83Å; F761-T763 VanDerWaalsContact O-N 3.13Å; T763-D765 PolarHBondContact O-N 3.31Å |
| 764 | I | 28.5 | Very low | 28 | Very low | 153.667 Ų | 153.667 | 120.8 Ų | 120.8 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128 | 168 | -67.3 | 171.5 | 0 | 0 | 0 | 106.9 | T762 D766 | T762-I764 PolarHBondContact O-N 3.29Å; I764-D766 PolarHBondContact O-N 3.37Å |
| 765 | D | 27.1 | Very low | 27.8 | Very low | 141.333 Ų | 141.333 | 118.6 Ų | 118.6 | 76% | 0.756 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.1 | -178.6 | -76.8 | -52.7 | 0 | 0 | 0 | 112.6 | T763 N767 | T763-D765 PolarHBondContact O-N 3.31Å; D765-N767 PolarHBondContact O-N 2.99Å; D765-N767 VanDerWaalsContact O-N 3.09Å |
| 766 | D | 29 | Very low | 27.9 | Very low | 163 Ų | 163 | 118.3 Ų | 118.3 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -68.5 | 40.1 | 172.6 | -84.2 | -35.7 | 0 | 0 | 0 | 113.3 | I764 | I764-D766 PolarHBondContact O-N 3.37Š|
| 767 | N | 27.8 | Very low | 28.1 | Very low | 154.333 Ų | 154.333 | 117.2 Ų | 117.2 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | -143.7 | 40.2 | 178.1 | -91.9 | -29.3 | 0 | 0 | 0 | 115.3 | D765 | D765-N767 PolarHBondContact O-N 2.99Å; D765-N767 VanDerWaalsContact O-N 3.09Å | ||
| 768 | V | 28.3 | Very low | 28.3 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | trans | -124.5 | 92.9 | 163.2 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | T770 | V768-T770 HydrophobicContact CG1-CG2 3.69Å; V768-T770 WeakPolarHBondContact CG1-OG1 3.28Å; V768-T770 PolarHBondContact O-N 3.28Å; V768-T770 VanDerWaalsContact O-N 3.09Å | ||
| 769 | T | 28 | Very low | 28.5 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 90% | 0.896 | 69% | 0.694 | S | S | * | * | trans | -72.3 | 67.1 | 164.1 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 770 | T | 27.2 | Very low | 29.2 | Very low | 109.667 Ų | 109.667 | 118.8 Ų | 118.8 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | trans | -131 | 110.4 | 164.7 | 42.1 | 0 | 0 | 0 | 0 | 109.9 | V768 | V768-T770 HydrophobicContact CG1-CG2 3.69Å; V768-T770 WeakPolarHBondContact CG1-OG1 3.28Å; V768-T770 PolarHBondContact O-N 3.28Å; V768-T770 VanDerWaalsContact O-N 3.09Å | ||
| 771 | S | 27.8 | Very low | 30.2 | Very low | 81.6667 Ų | 81.6667 | 115.4 Ų | 115.4 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | trans | 13.9 | 115.8 | 169.4 | 151.4 | 0 | 0 | 0 | 0 | 116.3 | V773 G774 | S771-V773 VanDerWaalsContact C-N 3.35Å; S771-V773 PolarHBondContact O-N 2.97Å; S771-V773 VanDerWaalsContact O-N 3.12Å; S771-V773 WeakPolarHBondContact OG-CB 3.31Å; S771-V773 WeakPolarHBondContact OG-CG2 3.08Å; S771-V773 PolarHBondContact OG-N 3.23Å; S771-G774 PolarHBondContact O-N 2.76Å | ||
| 772 | P | 29.8 | Very low | 31.8 | Very low | 113.667 Ų | 113.667 | 108.1 Ų | 108.1 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 28.8 | 177.6 | 32.8 | -34.7 | 0 | 0 | 0 | 112.8 | G774 A775 | P772-G774 PolarHBondContact O-N 3.32Å; P772-A775 WeakPolarHBondContact O-CB 3.42Å; P772-A775 PolarHBondContact O-N 3.3Å; P772-A775 VanDerWaalsContact O-N 3.15Å |
| 773 | V | 31.3 | Very low | 33.5 | Very low | 75.3333 Ų | 75.3333 | 103 Ų | 103 | 46% | 0.457 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.8 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | S771 A775 Y777 A960 | S771-V773 VanDerWaalsContact C-N 3.35Å; S771-V773 PolarHBondContact O-N 2.97Å; S771-V773 VanDerWaalsContact O-N 3.12Å; S771-V773 WeakPolarHBondContact OG-CB 3.31Å; S771-V773 WeakPolarHBondContact OG-CG2 3.08Å; S771-V773 PolarHBondContact OG-N 3.23Å; V773-A775 PolarHBondContact O-N 2.96Å; V773-Y777 HydrophobicContact CG1-CE2 3.96Å; V773-Y777 WeakPolarHBondContact O-CD2 3.48Å; V773-Y777 WeakPolarHBondContact O-CE2 3.26Å; V773-A960 HydrophobicContact CG2-CB 4.01Å |
| 774 | G | 28.9 | Very low | 35.4 | Very low | 49 Ų | 49 | 99.1 Ų | 99.1 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -75.9 | -33 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | S771 P772 L776 Y777 | S771-G774 PolarHBondContact O-N 2.76Å; P772-G774 PolarHBondContact O-N 3.32Å; G774-L776 VanDerWaalsContact C-N 3.33Å; G774-L776 PolarHBondContact O-N 2.91Å; G774-Y777 PolarHBondContact O-N 3.48Å |
| 775 | A | 28.7 | Very low | 37.1 | Very low | 75 Ų | 75 | 98.2 Ų | 98.2 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -11 | -169 | 0 | 0 | 0 | 0 | 0 | 115 | P772 V773 Y777 D778 | P772-A775 WeakPolarHBondContact O-CB 3.42Å; P772-A775 PolarHBondContact O-N 3.3Å; P772-A775 VanDerWaalsContact O-N 3.15Å; V773-A775 PolarHBondContact O-N 2.96Å; A775-Y777 VanDerWaalsContact C-N 3.27Å; A775-Y777 PolarHBondContact O-N 2.88Å; A775-D778 PolarHBondContact O-N 2.94Å |
| 776 | L | 30.7 | Very low | 39.1 | Very low | 113.667 Ų | 113.667 | 92 Ų | 92 | 60% | 0.595 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -11.4 | 176 | -82.4 | 165.2 | 0 | 0 | 0 | 113.3 | G774 D778 P781 | G774-L776 VanDerWaalsContact C-N 3.33Å; G774-L776 PolarHBondContact O-N 2.91Å; L776-D778 VanDerWaalsContact C-N 3.34Å; L776-P781 HydrophobicContact CD2-CG 4.32Å |
| 777 | Y | 33.1 | Very low | 40.9 | Very low | 98.3333 Ų | 98.3333 | 86.9 Ų | 86.9 | 39% | 0.386 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -88.7 | -17 | -178.3 | -81.5 | -87.7 | 0 | 0 | 0 | 114 | V773 G774 A775 H779 F780 L956 E958 | V773-Y777 HydrophobicContact CG1-CE2 3.96Å; V773-Y777 WeakPolarHBondContact O-CD2 3.48Å; V773-Y777 WeakPolarHBondContact O-CE2 3.26Å; G774-Y777 PolarHBondContact O-N 3.48Å; A775-Y777 VanDerWaalsContact C-N 3.27Å; A775-Y777 PolarHBondContact O-N 2.88Å; Y777-H779 VanDerWaalsContact C-N 3.34Å; Y777-H779 PolarHBondContact O-N 2.97Å; Y777-F780 HydrophobicContact CD1-CE1 4.17Å; Y777-F780 AromaticContact CD1-CE2 3.95Å; Y777-F780 HydrophobicContact CD1-CE2 3.95Å; Y777-F780 AromaticContact CD1-CZ 3.32Å; Y777-F780 HydrophobicContact CD1-CZ 3.32Å; Y777-F780 HydrophobicContact CE1-CE1 4.18Å; Y777-F780 AromaticContact CE1-CZ 3.55Å; Y777-F780 HydrophobicContact CE1-CZ 3.55Å; Y777-F780 HydrophobicContact CG-CZ 4.03Å; Y777-F780 VanDerWaalsContact O-CD2 3.32Å; Y777-F780 WeakPolarHBondContact O-CD2 3.27Å; Y777-F780 WeakPolarHBondContact O-CE2 3.06Å; Y777-L956 HydrophobicContact CE1-CD2 4.21Å; Y777-E958 HydrophobicContact CE1-CG 4.36Å; Y777-E958 HydrophobicContact CE2-CG 4.35Å; Y777-E958 WeakPolarHBondContact OH-CG 2.97Å |
| 778 | D | 30.6 | Very low | 42.9 | Very low | 126.333 Ų | 126.333 | 80.9 Ų | 80.9 | 68% | 0.676 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -83.1 | -15.9 | -177.9 | -78.8 | -25.1 | 0 | 0 | 0 | 114 | A775 L776 F780 K785 | A775-D778 PolarHBondContact O-N 2.94Å; L776-D778 VanDerWaalsContact C-N 3.34Å; D778-F780 VanDerWaalsContact C-N 3.32Å; D778-F780 PolarHBondContact O-N 3.46Å; D778-K785 IonicContact OD1-NZ 3.73Å; D778-K785 PolarHBondContact OD1-NZ 2.96Å |
| 779 | H | 32.5 | Very low | 45 | Very low | 143.333 Ų | 143.333 | 76.2 Ų | 76.2 | 66% | 0.664 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -115.5 | 56.9 | 177.3 | -73.5 | -2 | 0 | 0 | 0 | 111.5 | Y777 P781 | Y777-H779 VanDerWaalsContact C-N 3.34Å; Y777-H779 PolarHBondContact O-N 2.97Å; H779-P781 VanDerWaalsContact O-CD 3.24Å; H779-P781 WeakPolarHBondContact O-CD 3.3Å |
| 780 | F | 39.4 | Very low | 47.3 | Very low | 94 Ų | 94 | 69.6 Ų | 69.6 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | trans | -72.8 | 110.1 | -176.5 | -70.9 | -70.2 | 0 | 0 | 0 | 112.1 | Y777 D778 T782 R1175 Y1575 I1578 | Y777-F780 HydrophobicContact CD1-CE1 4.17Å; Y777-F780 AromaticContact CD1-CE2 3.95Å; Y777-F780 HydrophobicContact CD1-CE2 3.95Å; Y777-F780 AromaticContact CD1-CZ 3.32Å; Y777-F780 HydrophobicContact CD1-CZ 3.32Å; Y777-F780 HydrophobicContact CE1-CE1 4.18Å; Y777-F780 AromaticContact CE1-CZ 3.55Å; Y777-F780 HydrophobicContact CE1-CZ 3.55Å; Y777-F780 HydrophobicContact CG-CZ 4.03Å; Y777-F780 VanDerWaalsContact O-CD2 3.32Å; Y777-F780 WeakPolarHBondContact O-CD2 3.27Å; Y777-F780 WeakPolarHBondContact O-CE2 3.06Å; D778-F780 VanDerWaalsContact C-N 3.32Å; D778-F780 PolarHBondContact O-N 3.46Å; F780-T782 PolarHBondContact O-N 2.86Å; F780-R1175 PolarHBondContact O-NH2 3.25Å; F780-Y1575 HydrophobicContact CD2-CD2 4.08Å; F780-Y1575 HydrophobicContact CD2-CE2 4.35Å; F780-Y1575 HydrophobicContact CE2-CD2 4.06Å; F780-I1578 HydrophobicContact CD2-CB 4.13Å; F780-I1578 HydrophobicContact CD2-CD1 4.02Å; F780-I1578 HydrophobicContact CD2-CG2 3.52Å; F780-I1578 HydrophobicContact CE2-CB 3.89Å; F780-I1578 HydrophobicContact CE2-CD1 3.34Å; F780-I1578 HydrophobicContact CE2-CG1 4.16Å; F780-I1578 HydrophobicContact CE2-CG2 3.8Å; F780-I1578 HydrophobicContact CZ-CD1 3.72Å | ||
| 781 | P | 47.6 | Very low | 49.6 | Very low | 38.3333 Ų | 38.3333 | 65.7 Ų | 65.7 | 25% | 0.249 | 37% | 0.374 | C | S | . | . | trans | -64.5 | 137.9 | 174.6 | 8.9 | -4.4 | 0 | 0 | 0 | 109.3 | L776 H779 K785 C786 R1175 | L776-P781 HydrophobicContact CD2-CG 4.32Å; H779-P781 VanDerWaalsContact O-CD 3.24Å; H779-P781 WeakPolarHBondContact O-CD 3.3Å; P781-K785 HydrophobicContact CB-CB 3.72Å; P781-C786 HydrophobicContact CB-CB 4.34Å; P781-R1175 PolarHBondContact O-NH2 3.41Å | ||
| 782 | T | 59.7 | Low | 51.9 | Low | 40.6667 Ų | 40.6667 | 61.8 Ų | 61.8 | 25% | 0.249 | 35% | 0.347 | C | S | . | . | trans | -56.5 | 153.9 | 166.6 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | F780 L784 K785 C786 E884 | F780-T782 PolarHBondContact O-N 2.86Å; T782-L784 PolarHBondContact O-N 3.05Å; T782-L784 VanDerWaalsContact O-N 3.11Å; T782-K785 WeakPolarHBondContact O-CA 3.29Å; T782-K785 WeakPolarHBondContact O-CB 3.25Å; T782-K785 PolarHBondContact O-N 3.17Å; T782-K785 WeakPolarHBondContact OG1-CD 3.3Å; T782-K785 VanDerWaalsContact OG1-CG 3.23Å; T782-K785 WeakPolarHBondContact OG1-CG 3.41Å; T782-K785 PolarHBondContact OG1-N 3.28Å; T782-C786 PolarHBondContact O-N 3.06Å; T782-E884 WeakPolarHBondContact CA-OE1 3.37Å; T782-E884 WeakPolarHBondContact CB-OE2 3.27Å | ||
| 783 | V | 63.1 | Low | 54.5 | Low | 12.6667 Ų | 12.6667 | 56.4 Ų | 56.4 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -51.9 | -40.2 | 174.7 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | K785 C786 I789 M790 Y793 P880 L881 E884 | V783-K785 PolarHBondContact O-N 3.1Å; V783-K785 VanDerWaalsContact O-N 3.09Å; V783-C786 PolarHBondContact O-N 3.26Å; V783-C786 VanDerWaalsContact O-N 3.1Å; V783-I789 HydrophobicContact CG1-CG2 3.76Å; V783-M790 HydrophobicContact CG1-SD 4.44Å; V783-M790 WeakPolarHBondContact O-CG 3.23Å; V783-Y793 HydrophobicContact CG1-CD2 4.19Å; V783-Y793 HydrophobicContact CG1-CE2 3.65Å; V783-P880 HydrophobicContact CG2-CB 4.41Å; V783-L881 HydrophobicContact CG1-CD1 4.27Å; V783-E884 WeakPolarHBondContact CA-OE2 3.2Å; V783-E884 WeakPolarHBondContact CB-OE2 3.25Å; V783-E884 VanDerWaalsContact N-CD 3.32Å; V783-E884 PolarHBondContact N-OE1 3.1Å; V783-E884 VanDerWaalsContact N-OE1 3.12Å; V783-E884 PolarHBondContact N-OE2 3.07Å; V783-E884 VanDerWaalsContact N-OE2 3.1Å |
| 784 | L | 64.6 | Low | 56.8 | Low | 39.3333 Ų | 39.3333 | 53.2 Ų | 53.2 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -51.2 | -30.8 | 171.4 | -70.9 | 157.6 | 0 | 0 | 0 | 115.9 | V558 T782 M790 L881 E884 L888 | V558-L784 HydrophobicContact CB-CD2 4.48Å; V558-L784 HydrophobicContact CG1-CD2 3.44Å; V558-L784 HydrophobicContact CG2-CD2 4.42Å; T782-L784 PolarHBondContact O-N 3.05Å; T782-L784 VanDerWaalsContact O-N 3.11Å; L784-M790 HydrophobicContact CD2-CE 4.49Å; L784-L881 HydrophobicContact CD2-CD1 3.58Å; L784-L881 HydrophobicContact CG-CD1 3.76Å; L784-E884 HydrophobicContact CD1-CB 4.27Å; L784-E884 PolarHBondContact N-OE2 3.18Å; L784-L888 HydrophobicContact CD1-CD1 3.57Å; L784-L888 HydrophobicContact CD1-CG 4.32Å |
| 785 | K | 64.4 | Low | 59.1 | Low | 135.333 Ų | 135.333 | 51.6 Ų | 51.6 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -99.6 | -3.9 | -176.6 | -75.1 | -179 | -179.7 | -177.6 | 0 | 113 | D778 P781 T782 V783 P787 | D778-K785 IonicContact OD1-NZ 3.73Å; D778-K785 PolarHBondContact OD1-NZ 2.96Å; P781-K785 HydrophobicContact CB-CB 3.72Å; T782-K785 WeakPolarHBondContact O-CA 3.29Å; T782-K785 WeakPolarHBondContact O-CB 3.25Å; T782-K785 PolarHBondContact O-N 3.17Å; T782-K785 WeakPolarHBondContact OG1-CD 3.3Å; T782-K785 VanDerWaalsContact OG1-CG 3.23Å; T782-K785 WeakPolarHBondContact OG1-CG 3.41Å; T782-K785 PolarHBondContact OG1-N 3.28Å; V783-K785 PolarHBondContact O-N 3.1Å; V783-K785 VanDerWaalsContact O-N 3.09Å; K785-P787 VanDerWaalsContact O-CD 3.27Å; K785-P787 WeakPolarHBondContact O-CD 3.27Å |
| 786 | C | 67.8 | Low | 61.7 | Low | 9.66667 Ų | 9.66667 | 48 Ų | 48 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | trans | -95.5 | 102.1 | 178.5 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | P781 T782 V783 P788 I789 M790 | P781-C786 HydrophobicContact CB-CB 4.34Å; T782-C786 PolarHBondContact O-N 3.06Å; V783-C786 PolarHBondContact O-N 3.26Å; V783-C786 VanDerWaalsContact O-N 3.1Å; C786-P788 VanDerWaalsContact C-CD 3.45Å; C786-I789 HydrophobicContact CB-CB 4.27Å; C786-I789 HydrophobicContact CB-CD1 4.01Å; C786-I789 HydrophobicContact CB-CG1 4.24Å; C786-I789 PolarHBondContact O-N 2.86Å; C786-M790 WeakPolarHBondContact O-CG 3.33Å; C786-M790 PolarHBondContact O-N 3.16Å; C786-M790 VanDerWaalsContact O-N 3.08Å | ||
| 787 | P | 68.6 | Low | 64.3 | Low | 55.6667 Ų | 55.6667 | 42.7 Ų | 42.7 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.4 | -46.1 | -173.9 | -21.6 | 32.7 | 0 | 0 | 0 | 114.4 | M564 K785 I789 M790 L791 | M564-P787 HydrophobicContact CE-CB 4.13Å; M564-P787 HydrophobicContact CE-CG 4.31Å; K785-P787 VanDerWaalsContact O-CD 3.27Å; K785-P787 WeakPolarHBondContact O-CD 3.27Å; P787-I789 VanDerWaalsContact C-N 3.32Å; P787-I789 PolarHBondContact O-N 3.13Å; P787-M790 PolarHBondContact O-N 3.14Å; P787-M790 VanDerWaalsContact O-N 3.17Å; P787-L791 WeakPolarHBondContact O-CB 3.45Å; P787-L791 VanDerWaalsContact O-CG 3.26Å; P787-L791 WeakPolarHBondContact O-CG 3.26Å; P787-L791 PolarHBondContact O-N 3.12Å |
| 788 | P | 68 | Low | 66.9 | Low | 28.6667 Ų | 28.6667 | 38 Ų | 38 | 19% | 0.186 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | -178 | 7.8 | -10.9 | 0 | 0 | 0 | 112.4 | C786 L791 T792 L956 | C786-P788 VanDerWaalsContact C-CD 3.45Å; P788-L791 PolarHBondContact O-N 3.33Å; P788-T792 PolarHBondContact O-N 3.12Å; P788-T792 VanDerWaalsContact O-N 3.14Å; P788-T792 PolarHBondContact O-OG1 2.97Å; P788-T792 VanDerWaalsContact O-OG1 3.05Å; P788-L956 HydrophobicContact CB-CD1 4.23Å; P788-L956 HydrophobicContact CG-CD1 4.02Å |
| 789 | I | 73.9 | Confident | 69.6 | Low | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 179.5 | -57.9 | 177 | 0 | 0 | 0 | 110.7 | V783 C786 P787 L791 T792 Y793 C954 L956 | V783-I789 HydrophobicContact CG1-CG2 3.76Å; C786-I789 HydrophobicContact CB-CB 4.27Å; C786-I789 HydrophobicContact CB-CD1 4.01Å; C786-I789 HydrophobicContact CB-CG1 4.24Å; C786-I789 PolarHBondContact O-N 2.86Å; P787-I789 VanDerWaalsContact C-N 3.32Å; P787-I789 PolarHBondContact O-N 3.13Å; I789-L791 VanDerWaalsContact C-N 3.31Å; I789-L791 PolarHBondContact O-N 2.99Å; I789-T792 WeakPolarHBondContact O-CB 3.32Å; I789-T792 PolarHBondContact O-N 3.11Å; I789-Y793 HydrophobicContact CG2-CD2 3.78Å; I789-Y793 HydrophobicContact CG2-CE2 3.48Å; I789-Y793 VanDerWaalsContact CG2-CE2 3.48Å; I789-Y793 VanDerWaalsContact O-CD2 3.27Å; I789-Y793 WeakPolarHBondContact O-CD2 3.3Å; I789-Y793 PolarHBondContact O-N 2.91Å; I789-C954 HydrophobicContact CG2-CB 3.98Å; I789-C954 WeakPolarHBondContact CG2-O 3.49Å; I789-L956 HydrophobicContact CD1-CD1 3.88Å; I789-L956 HydrophobicContact CG1-CD1 3.58Å |
| 790 | M | 76 | Confident | 72.3 | Confident | 6.33333 Ų | 6.33333 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 177.2 | -77 | -58.1 | -65.2 | 0 | 0 | 112.9 | V558 M564 L594 V783 L784 C786 P787 T792 Y793 Y794 L881 | V558-M790 HydrophobicContact CG1-CE 4.42Å; M564-M790 HydrophobicContact CE-CB 4.24Å; M564-M790 HydrophobicContact CE-CG 4.5Å; M564-M790 HydrophobicContact SD-CB 3.64Å; M564-M790 HydrophobicContact SD-CG 4.38Å; L594-M790 HydrophobicContact CD1-CE 4.45Å; V783-M790 HydrophobicContact CG1-SD 4.44Å; V783-M790 WeakPolarHBondContact O-CG 3.23Å; L784-M790 HydrophobicContact CD2-CE 4.49Å; C786-M790 WeakPolarHBondContact O-CG 3.33Å; C786-M790 PolarHBondContact O-N 3.16Å; C786-M790 VanDerWaalsContact O-N 3.08Å; P787-M790 PolarHBondContact O-N 3.14Å; P787-M790 VanDerWaalsContact O-N 3.17Å; M790-T792 VanDerWaalsContact C-N 3.34Å; M790-Y793 PolarHBondContact O-N 3.18Å; M790-Y794 WeakPolarHBondContact O-CB 3.32Å; M790-Y794 PolarHBondContact O-N 3.22Å; M790-L881 HydrophobicContact CE-CD1 4.35Å; M790-L881 HydrophobicContact CE-CD2 4.32Å; M790-L881 HydrophobicContact SD-CD1 3.83Å; M790-L881 HydrophobicContact SD-CD2 4.23Å |
| 791 | L | 74.9 | Confident | 74.5 | Confident | 27.6667 Ų | 27.6667 | 23.6 Ų | 23.6 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 174.8 | -67.2 | -179.3 | 0 | 0 | 0 | 111.9 | M564 Y568 P787 P788 I789 Y794 E795 P969 | M564-L791 HydrophobicContact CG-CD2 4.1Å; Y568-L791 HydrophobicContact CD1-CD2 4.46Å; Y568-L791 HydrophobicContact CD2-CB 4.3Å; Y568-L791 HydrophobicContact CD2-CD1 4.01Å; Y568-L791 HydrophobicContact CD2-CD2 3.58Å; Y568-L791 HydrophobicContact CD2-CG 4.14Å; Y568-L791 HydrophobicContact CE2-CB 4.47Å; Y568-L791 HydrophobicContact CE2-CD2 4.34Å; Y568-L791 HydrophobicContact CG-CD2 3.69Å; P787-L791 WeakPolarHBondContact O-CB 3.45Å; P787-L791 VanDerWaalsContact O-CG 3.26Å; P787-L791 WeakPolarHBondContact O-CG 3.26Å; P787-L791 PolarHBondContact O-N 3.12Å; P788-L791 PolarHBondContact O-N 3.33Å; I789-L791 VanDerWaalsContact C-N 3.31Å; I789-L791 PolarHBondContact O-N 2.99Å; L791-Y794 WeakPolarHBondContact O-CB 3.35Å; L791-Y794 PolarHBondContact O-N 3.06Å; L791-Y794 VanDerWaalsContact O-N 3.15Å; L791-E795 PolarHBondContact O-N 3.04Å; L791-E795 VanDerWaalsContact O-N 3.14Å; L791-P969 HydrophobicContact CB-CB 4.44Å |
| 792 | T | 76.9 | Confident | 76 | Confident | 0.333333 Ų | 0.333333 | 24.6 Ų | 24.6 | 0% | 0.002 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 172.7 | -44.3 | 0 | 0 | 0 | 0 | 111.2 | P788 I789 M790 Y794 E795 L796 C954 L970 S973 V975 | P788-T792 PolarHBondContact O-N 3.12Å; P788-T792 VanDerWaalsContact O-N 3.14Å; P788-T792 PolarHBondContact O-OG1 2.97Å; P788-T792 VanDerWaalsContact O-OG1 3.05Å; I789-T792 WeakPolarHBondContact O-CB 3.32Å; I789-T792 PolarHBondContact O-N 3.11Å; M790-T792 VanDerWaalsContact C-N 3.34Å; T792-Y794 VanDerWaalsContact C-N 3.28Å; T792-Y794 PolarHBondContact O-N 3.44Å; T792-E795 PolarHBondContact O-N 3.13Å; T792-L796 HydrophobicContact CG2-CD1 3.76Å; T792-L796 HydrophobicContact CG2-CG 4.44Å; T792-L796 WeakPolarHBondContact O-CB 3.3Å; T792-L796 WeakPolarHBondContact O-CD1 3.18Å; T792-L796 VanDerWaalsContact O-CG 3.25Å; T792-L796 WeakPolarHBondContact O-CG 3.33Å; T792-L796 PolarHBondContact O-N 3.31Å; T792-L796 VanDerWaalsContact O-N 3.15Å; T792-C954 HydrophobicContact CG2-CB 4.23Å; T792-L970 HydrophobicContact CG2-CD2 4.12Å; T792-S973 WeakPolarHBondContact CG2-OG 3.45Å; T792-S973 PolarHBondContact OG1-OG 3.09Å; T792-V975 HydrophobicContact CG2-CG2 3.67Å |
| 793 | Y | 84.3 | Confident | 76.8 | Confident | 0.666667 Ų | 0.666667 | 24.7 Ų | 24.7 | 0% | 0.003 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | 173.4 | -78.4 | -61.2 | 0 | 0 | 0 | 112.9 | V783 I789 M790 E795 L796 L797 P880 L881 I952 C954 | V783-Y793 HydrophobicContact CG1-CD2 4.19Å; V783-Y793 HydrophobicContact CG1-CE2 3.65Å; I789-Y793 HydrophobicContact CG2-CD2 3.78Å; I789-Y793 HydrophobicContact CG2-CE2 3.48Å; I789-Y793 VanDerWaalsContact CG2-CE2 3.48Å; I789-Y793 VanDerWaalsContact O-CD2 3.27Å; I789-Y793 WeakPolarHBondContact O-CD2 3.3Å; I789-Y793 PolarHBondContact O-N 2.91Å; M790-Y793 PolarHBondContact O-N 3.18Å; Y793-E795 VanDerWaalsContact C-N 3.29Å; Y793-E795 PolarHBondContact O-N 3.23Å; Y793-L796 PolarHBondContact O-N 3.21Å; Y793-L797 HydrophobicContact CD1-CD1 3.73Å; Y793-L797 HydrophobicContact CD1-CD2 4.43Å; Y793-L797 HydrophobicContact CD1-CG 4Å; Y793-L797 HydrophobicContact CG-CD1 4.16Å; Y793-L797 VanDerWaalsContact O-CB 3.29Å; Y793-L797 WeakPolarHBondContact O-CB 3.4Å; Y793-L797 WeakPolarHBondContact O-CG 3.44Å; Y793-L797 PolarHBondContact O-N 3.09Å; Y793-P880 WeakPolarHBondContact OH-CD 3.48Å; Y793-L881 HydrophobicContact CD2-CD2 4.43Å; Y793-L881 HydrophobicContact CE2-CB 4.49Å; Y793-L881 HydrophobicContact CG-CD2 4.42Å; Y793-I952 HydrophobicContact CE1-CG2 4.31Å; Y793-C954 HydrophobicContact CD2-CB 4.33Å; Y793-C954 HydrophobicContact CE1-CB 4.23Å; Y793-C954 VanDerWaalsContact CE1-SG 3.55Å; Y793-C954 HydrophobicContact CE2-CB 3.9Å; Y793-C954 PolarHBondContact OH-N 2.96Å; Y793-C954 VanDerWaalsContact OH-N 3.1Å |
| 794 | Y | 79.3 | Confident | 77 | Confident | 8.33333 Ų | 8.33333 | 28.9 Ų | 28.9 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -33.5 | 177 | -173.9 | -102.5 | 0 | 0 | 0 | 113 | V560 R565 Y568 P580 V592 L594 M790 L791 T792 | V560-Y794 HydrophobicContact CG1-CD2 4.25Å; V560-Y794 HydrophobicContact CG1-CE2 4.42Å; V560-Y794 HydrophobicContact CG2-CD2 3.98Å; V560-Y794 HydrophobicContact CG2-CE2 4.32Å; R565-Y794 PolarHBondContact NE-OH 3.22Å; R565-Y794 VanDerWaalsContact NE-OH 3.13Å; Y568-Y794 AromaticContact CD1-CD1 3.93Å; Y568-Y794 HydrophobicContact CD1-CD1 3.93Å; Y568-Y794 AromaticContact CD1-CE1 3.91Å; Y568-Y794 HydrophobicContact CD1-CE1 3.91Å; Y568-Y794 AromaticContact CE1-CD1 3.75Å; Y568-Y794 HydrophobicContact CE1-CD1 3.75Å; Y568-Y794 AromaticContact CE1-CE1 3.84Å; Y568-Y794 HydrophobicContact CE1-CE1 3.84Å; P580-Y794 WeakPolarHBondContact CD-OH 3.28Å; P580-Y794 HydrophobicContact CG-CE1 4.13Å; P580-Y794 HydrophobicContact CG-CE2 4.35Å; P580-Y794 WeakPolarHBondContact CG-OH 3.23Å; V592-Y794 HydrophobicContact CB-CE2 4.35Å; V592-Y794 HydrophobicContact CG1-CE2 3.85Å; L594-Y794 HydrophobicContact CD1-CD2 4.17Å; L594-Y794 HydrophobicContact CD2-CD2 3.88Å; L594-Y794 HydrophobicContact CD2-CE2 4.49Å; L594-Y794 HydrophobicContact CG-CD2 4.34Å; M790-Y794 WeakPolarHBondContact O-CB 3.32Å; M790-Y794 PolarHBondContact O-N 3.22Å; L791-Y794 WeakPolarHBondContact O-CB 3.35Å; L791-Y794 PolarHBondContact O-N 3.06Å; L791-Y794 VanDerWaalsContact O-N 3.15Å; T792-Y794 VanDerWaalsContact C-N 3.28Å; T792-Y794 PolarHBondContact O-N 3.44Å |
| 795 | E | 77.7 | Confident | 76.9 | Confident | 15.6667 Ų | 15.6667 | 34.1 Ų | 34.1 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77 | -36.5 | 174.6 | -69.9 | -179 | 163.9 | 0 | 0 | 112.7 | Y568 L791 T792 Y793 P969 Y1047 Q1049 | Y568-E795 HydrophobicContact CE2-CG 4.27Å; Y568-E795 WeakPolarHBondContact CE2-OE1 3.33Å; Y568-E795 VanDerWaalsContact CZ-OE1 3.31Å; Y568-E795 WeakPolarHBondContact OH-CG 3.44Å; Y568-E795 PolarHBondContact OH-OE1 3.01Å; L791-E795 PolarHBondContact O-N 3.04Å; L791-E795 VanDerWaalsContact O-N 3.14Å; T792-E795 PolarHBondContact O-N 3.13Å; Y793-E795 VanDerWaalsContact C-N 3.29Å; Y793-E795 PolarHBondContact O-N 3.23Å; E795-P969 VanDerWaalsContact CD-CG 3.42Å; E795-P969 WeakPolarHBondContact OE1-CD 3.45Å; E795-P969 VanDerWaalsContact OE1-CG 3.22Å; E795-P969 WeakPolarHBondContact OE1-CG 3.44Å; E795-P969 VanDerWaalsContact OE2-CG 3.31Å; E795-P969 WeakPolarHBondContact OE2-CG 3.47Å; E795-Y1047 PolarHBondContact O-OH 3.04Å; E795-Y1047 VanDerWaalsContact O-OH 3.09Å; E795-Q1049 PolarHBondContact O-NE2 3.09Å; E795-Q1049 VanDerWaalsContact O-NE2 3.12Å; E795-Q1049 PolarHBondContact O-OE1 2.91Å |
| 796 | L | 82 | Confident | 76.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -91.4 | -32.8 | -168.1 | -68.5 | 177.2 | 0 | 0 | 0 | 114.3 | T792 Y793 G832 L833 I952 C954 L970 V975 Y1047 | T792-L796 HydrophobicContact CG2-CD1 3.76Å; T792-L796 HydrophobicContact CG2-CG 4.44Å; T792-L796 WeakPolarHBondContact O-CB 3.3Å; T792-L796 WeakPolarHBondContact O-CD1 3.18Å; T792-L796 VanDerWaalsContact O-CG 3.25Å; T792-L796 WeakPolarHBondContact O-CG 3.33Å; T792-L796 PolarHBondContact O-N 3.31Å; T792-L796 VanDerWaalsContact O-N 3.15Å; Y793-L796 PolarHBondContact O-N 3.21Å; L796-G832 CarbonylContact O-C 3.48Å; L796-G832 VanDerWaalsContact O-CA 3.28Å; L796-G832 WeakPolarHBondContact O-CA 3.34Å; L796-L833 HydrophobicContact CB-CD1 3.98Å; L796-L833 HydrophobicContact CD1-CD1 4.33Å; L796-L833 HydrophobicContact CD2-CD1 3.68Å; L796-L833 HydrophobicContact CD2-CG 4.44Å; L796-L833 HydrophobicContact CG-CD1 4.24Å; L796-L833 PolarHBondContact O-N 2.84Å; L796-I952 HydrophobicContact CB-CD1 4.03Å; L796-I952 HydrophobicContact CD1-CD1 4.1Å; L796-C954 VanDerWaalsContact CD1-SG 3.53Å; L796-L970 HydrophobicContact CD2-CD2 4.33Å; L796-V975 HydrophobicContact CD1-CB 4.31Å; L796-V975 HydrophobicContact CD1-CG1 3.51Å; L796-V975 VanDerWaalsContact CD1-CG1 3.49Å; L796-V975 HydrophobicContact CD1-CG2 3.79Å; L796-V975 HydrophobicContact CD2-CG1 4.45Å; L796-Y1047 WeakPolarHBondContact CD2-OH 3.22Å |
| 797 | L | 86.9 | Confident | 75.5 | Confident | 0.666667 Ų | 0.666667 | 35 Ų | 35 | 0% | 0.003 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -91.1 | 148.2 | -178.4 | -59.4 | 179.2 | 0 | 0 | 0 | 111.2 | L594 C596 Y793 A799 F877 L881 I952 | L594-L797 HydrophobicContact CB-CB 4.44Å; L594-L797 HydrophobicContact CB-CD1 4.37Å; L594-L797 HydrophobicContact CD2-CB 4.39Å; C596-L797 HydrophobicContact CB-CD1 4.49Å; Y793-L797 HydrophobicContact CD1-CD1 3.73Å; Y793-L797 HydrophobicContact CD1-CD2 4.43Å; Y793-L797 HydrophobicContact CD1-CG 4Å; Y793-L797 HydrophobicContact CG-CD1 4.16Å; Y793-L797 VanDerWaalsContact O-CB 3.29Å; Y793-L797 WeakPolarHBondContact O-CB 3.4Å; Y793-L797 WeakPolarHBondContact O-CG 3.44Å; Y793-L797 PolarHBondContact O-N 3.09Å; L797-A799 PolarHBondContact O-N 3.07Å; L797-F877 HydrophobicContact CD2-CE1 4.2Å; L797-F877 HydrophobicContact CD2-CZ 3.66Å; L797-L881 HydrophobicContact CD1-CD2 4.16Å; L797-I952 HydrophobicContact CD2-CD1 4.33Å; L797-I952 HydrophobicContact CD2-CG2 3.95Å |
| 798 | G | 87.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -66 | 130.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E595 Y800 S830 | E595-G798 PolarHBondContact N-O 3.19Å; E595-G798 VanDerWaalsContact N-O 3.1Å; G798-Y800 WeakPolarHBondContact O-CD2 3.38Å; G798-Y800 WeakPolarHBondContact O-CE2 3.42Å; G798-S830 WeakPolarHBondContact CA-O 3.3Å |
| 799 | A | 87.8 | Confident | 73 | Confident | 0.333333 Ų | 0.333333 | 40.5 Ų | 40.5 | 0% | 0.003 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P580 V592 L593 L594 L797 L829 S830 | P580-A799 HydrophobicContact CB-CB 3.81Å; P580-A799 HydrophobicContact CG-CB 3.97Å; V592-A799 HydrophobicContact CG1-CB 3.8Å; L593-A799 CarbonylContact O-C 3.53Å; L593-A799 WeakPolarHBondContact O-CA 3.31Å; L594-A799 HydrophobicContact CD2-CB 4.16Å; L797-A799 PolarHBondContact O-N 3.07Å; A799-L829 HydrophobicContact CB-CB 4.33Å; A799-L829 HydrophobicContact CB-CD1 4.47Å; A799-L829 WeakPolarHBondContact O-CA 3.3Å; A799-L829 WeakPolarHBondContact O-CB 3.25Å; A799-L829 PolarHBondContact O-N 3.4Å; A799-S830 WeakPolarHBondContact CB-OG 3.33Å; A799-S830 PolarHBondContact N-O 3.14Å; A799-S830 PolarHBondContact N-OG 2.88Å; A799-S830 VanDerWaalsContact N-OG 3.13Å; A799-S830 PolarHBondContact O-N 3.13Å; A799-S830 VanDerWaalsContact O-N 3.14Å |
| 800 | Y | 88.4 | Confident | 71.2 | Confident | 28 Ų | 28 | 49 Ų | 49 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.9 | -177.5 | -66.7 | -105.8 | 0 | 0 | 0 | 110.5 | F557 L593 E595 R598 G798 L826 T827 R828 | F557-Y800 AromaticContact CD1-CD2 3.95Å; F557-Y800 HydrophobicContact CD1-CD2 3.99Å; F557-Y800 HydrophobicContact CD1-CE2 4.5Å; F557-Y800 HydrophobicContact CD1-CG 4.31Å; F557-Y800 HydrophobicContact CE1-CD1 4.26Å; F557-Y800 AromaticContact CE1-CD2 3.58Å; F557-Y800 HydrophobicContact CE1-CD2 3.58Å; F557-Y800 HydrophobicContact CE1-CE1 4.42Å; F557-Y800 AromaticContact CE1-CE2 3.82Å; F557-Y800 HydrophobicContact CE1-CE2 3.82Å; F557-Y800 AromaticContact CE1-CG 3.85Å; F557-Y800 HydrophobicContact CE1-CG 3.85Å; L593-Y800 PolarHBondContact N-O 3.06Å; L593-Y800 PolarHBondContact O-N 3.46Å; E595-Y800 HydrophobicContact CB-CD2 4.35Å; E595-Y800 HydrophobicContact CB-CE2 4Å; E595-Y800 WeakPolarHBondContact OE2-CE2 3.49Å; E595-Y800 PolarHBondContact OE2-OH 3.12Å; R598-Y800 PolarHBondContact NH2-OH 2.78Å; G798-Y800 WeakPolarHBondContact O-CD2 3.38Å; G798-Y800 WeakPolarHBondContact O-CE2 3.42Å; Y800-L826 VanDerWaalsContact CB-CD2 3.49Å; Y800-L826 HydrophobicContact CD1-CD2 4.23Å; Y800-L826 HydrophobicContact CG-CD2 4.24Å; Y800-T827 CarbonylContact C-O 3.54Å; Y800-T827 VanDerWaalsContact CA-O 3.24Å; Y800-T827 WeakPolarHBondContact CA-O 3.22Å; Y800-R828 HydrophobicContact CD1-CB 3.8Å; Y800-R828 HydrophobicContact CD1-CG 4.12Å; Y800-R828 HydrophobicContact CE1-CB 3.56Å; Y800-R828 HydrophobicContact CE1-CG 3.66Å; Y800-R828 HydrophobicContact CE2-CG 4.25Å; Y800-R828 WeakPolarHBondContact OH-CD 3.33Å |
| 801 | E | 85.1 | Confident | 69.5 | Low | 33.25 Ų | 33.25 | 55.2 Ų | 55.2 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.7 | 172.1 | 177.6 | -179.4 | -158.6 | 0 | 0 | 108.8 | P588 K589 G590 T803 L826 T827 L829 | P588-E801 WeakPolarHBondContact CA-OE2 3.3Å; P588-E801 HydrophobicContact CB-CG 4.4Å; P588-E801 WeakPolarHBondContact CB-OE2 3.13Å; K589-E801 WeakPolarHBondContact CA-OE1 3.34Å; K589-E801 WeakPolarHBondContact CB-OE1 3.41Å; K589-E801 PolarHBondContact N-OE1 3.36Å; G590-E801 PolarHBondContact N-OE1 3.16Å; E801-T803 HydrophobicContact CG-CG2 3.99Å; E801-T803 PolarHBondContact O-N 2.58Å; E801-T803 WeakPolarHBondContact OE2-CG2 3.5Å; E801-L826 WeakPolarHBondContact O-CA 3.5Å; E801-T827 PolarHBondContact N-O 3.27Å; E801-T827 PolarHBondContact O-N 3.15Å; E801-T827 PolarHBondContact O-OG1 3.12Å; E801-T827 PolarHBondContact OE2-OG1 2.89Å; E801-L829 HydrophobicContact CB-CD1 4.08Å; E801-L829 HydrophobicContact CB-CD2 3.95Å; E801-L829 HydrophobicContact CB-CG 4.06Å |
| 802 | L | 79.7 | Confident | 67.6 | Low | 59.5 Ų | 59.5 | 57.3 Ų | 57.3 | 31% | 0.312 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 106.7 | 173.6 | -172.4 | 68.9 | 0 | 0 | 0 | 109.1 | L516 L593 K824 L826 | L516-L802 HydrophobicContact CD2-CD2 3.88Å; L593-L802 HydrophobicContact CD1-CB 4.07Å; L802-K824 HydrophobicContact CD1-CB 4.12Å; L802-K824 HydrophobicContact CD1-CD 4.5Å; L802-K824 HydrophobicContact CD1-CG 4.32Å; L802-K824 HydrophobicContact CD2-CD 4.14Å; L802-K824 HydrophobicContact CG-CB 4.46Å; L802-K824 HydrophobicContact CG-CD 4.48Å; L802-K824 HydrophobicContact CG-CG 4.48Å; L802-L826 HydrophobicContact CB-CD2 4.46Å; L802-L826 HydrophobicContact CD1-CD1 4.39Å; L802-L826 HydrophobicContact CD1-CD2 4.12Å; L802-L826 HydrophobicContact CD1-CG 4.07Å |
| 803 | T | 75.5 | Confident | 65.7 | Low | 41.75 Ų | 41.75 | 62.1 Ų | 62.1 | 26% | 0.256 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.4 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | E801 R805 K824 M825 T827 | E801-T803 HydrophobicContact CG-CG2 3.99Å; E801-T803 PolarHBondContact O-N 2.58Å; E801-T803 WeakPolarHBondContact OE2-CG2 3.5Å; T803-R805 PolarHBondContact O-N 3.23Å; T803-K824 CarbonylContact O-C 3.52Å; T803-K824 WeakPolarHBondContact O-CA 3.36Å; T803-M825 PolarHBondContact N-O 3.01Å; T803-M825 PolarHBondContact O-N 3.13Å; T803-M825 PolarHBondContact OG1-O 3.1Å; T803-T827 HydrophobicContact CG2-CG2 4.11Å; T803-T827 WeakPolarHBondContact CG2-OG1 3.23Å; T803-T827 VanDerWaalsContact OG1-CG2 3.31Å; T803-T827 WeakPolarHBondContact OG1-CG2 3.18Å; T803-T827 PolarHBondContact OG1-OG1 3.24Å |
| 804 | E | 69 | Low | 63.5 | Low | 101.25 Ų | 101.25 | 68.9 Ų | 68.9 | 47% | 0.473 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.5 | 169.4 | -71.6 | -163.9 | -170.5 | 0 | 0 | 109.8 | F734 S822 K824 | F734-E804 VanDerWaalsContact CZ-OE1 3.29Å; F734-E804 WeakPolarHBondContact CZ-OE1 3.32Å; E804-S822 WeakPolarHBondContact OE2-CB 3.42Å; E804-S822 PolarHBondContact OE2-OG 3.38Å; E804-K824 HydrophobicContact CG-CD 4.39Å; E804-K824 HydrophobicContact CG-CG 4.04Å; E804-K824 WeakPolarHBondContact OE1-CE 3.35Å; E804-K824 IonicContact OE1-NZ 3.54Å; E804-K824 PolarHBondContact OE1-NZ 2.79Å; E804-K824 VanDerWaalsContact OE1-NZ 3.15Å |
| 805 | R | 61.4 | Low | 61.5 | Low | 148.75 Ų | 148.75 | 75.9 Ų | 75.9 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.6 | 173.2 | -149.7 | 175.8 | -178.2 | 178.2 | -0.4 | 108.8 | S715 T803 S807 S822 T823 | S715-R805 VanDerWaalsContact CB-NH1 3.31Å; T803-R805 PolarHBondContact O-N 3.23Å; R805-S807 PolarHBondContact O-N 2.88Å; R805-S822 WeakPolarHBondContact O-CA 3.44Å; R805-T823 WeakPolarHBondContact CB-O 3.28Å; R805-T823 PolarHBondContact N-O 3.09Å; R805-T823 PolarHBondContact O-N 3.07Å; R805-T823 VanDerWaalsContact O-N 3.07Å; R805-T823 PolarHBondContact O-OG1 3.06Å; R805-T823 VanDerWaalsContact O-OG1 3.06Å |
| 806 | E | 54 | Low | 59.5 | Low | 119.25 Ų | 119.25 | 81.6 Ų | 81.6 | 56% | 0.557 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122.1 | 169.5 | -66.6 | -164.7 | 153.8 | 0 | 0 | 109.6 | L808 K820 | E806-L808 PolarHBondContact O-N 3.34Å; E806-K820 VanDerWaalsContact OE1-CD 3.24Å; E806-K820 WeakPolarHBondContact OE1-CD 3.29Å; E806-K820 WeakPolarHBondContact OE1-CE 3.09Å; E806-K820 IonicContact OE1-NZ 3.08Å; E806-K820 PolarHBondContact OE1-NZ 3.16Å; E806-K820 IonicContact OE2-NZ 2.95Å; E806-K820 PolarHBondContact OE2-NZ 3.11Å |
| 807 | S | 49.6 | Very low | 57.6 | Low | 45.5 Ų | 45.5 | 89.4 Ų | 89.4 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.5 | 171.4 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | R805 T809 R821 | R805-S807 PolarHBondContact O-N 2.88Å; S807-T809 VanDerWaalsContact C-N 3.27Å; S807-T809 PolarHBondContact O-N 3.18Å; S807-T809 VanDerWaalsContact O-N 3.13Å; S807-R821 PolarHBondContact N-O 2.93Å; S807-R821 VanDerWaalsContact N-O 3.11Å; S807-R821 PolarHBondContact O-N 2.74Å; S807-R821 WeakPolarHBondContact OG-CB 3.36Å; S807-R821 PolarHBondContact OG-O 3.3Å |
| 808 | L | 40.7 | Very low | 55.2 | Low | 142.25 Ų | 142.25 | 98 Ų | 98 | 75% | 0.745 | 50% | 0.5 | S | S | * | . | trans | -79.8 | 86.3 | 177.6 | -83 | 161.4 | 0 | 0 | 0 | 110.2 | R719 E806 K810 | R719-L808 PolarHBondContact NH2-O 3.12Å; E806-L808 PolarHBondContact O-N 3.34Å; L808-K810 PolarHBondContact O-N 3.24Å | ||
| 809 | T | 42.7 | Very low | 53.2 | Low | 56 Ų | 56 | 103.1 Ų | 103.1 | 34% | 0.344 | 52% | 0.524 | S | S | . | . | trans | -94.2 | 98 | 166.6 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | M711 S807 Y811 | M711-T809 HydrophobicContact SD-CG2 3.78Å; S807-T809 VanDerWaalsContact C-N 3.27Å; S807-T809 PolarHBondContact O-N 3.18Å; S807-T809 VanDerWaalsContact O-N 3.13Å; T809-Y811 HydrophobicContact CG2-CE2 4Å; T809-Y811 PolarHBondContact O-N 3.06Å; T809-Y811 VanDerWaalsContact O-N 3.12Å; T809-Y811 WeakPolarHBondContact OG1-CE2 3.25Å | ||
| 810 | K | 35.6 | Very low | 51.1 | Low | 193.5 Ų | 193.5 | 109.5 Ų | 109.5 | 84% | 0.841 | 55% | 0.552 | S | S | * | * | trans | -70.6 | 100.6 | 167.8 | -76.2 | -175.2 | 175.5 | -178.5 | 0 | 108.7 | L808 | L808-K810 PolarHBondContact O-N 3.24Š| ||
| 811 | Y | 40.5 | Very low | 49.3 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | trans | -77.4 | 142 | 166.7 | -78.5 | -81.9 | 0 | 0 | 0 | 110.2 | D359 M711 T809 H819 | D359-Y811 VanDerWaalsContact CG-CE1 3.45Å; D359-Y811 WeakPolarHBondContact OD1-CD1 3.5Å; D359-Y811 VanDerWaalsContact OD1-CE1 3.26Å; D359-Y811 WeakPolarHBondContact OD1-CE1 3.38Å; D359-Y811 WeakPolarHBondContact OD2-CD1 3.42Å; D359-Y811 WeakPolarHBondContact OD2-CE1 3.38Å; M711-Y811 HydrophobicContact CG-CE1 3.83Å; M711-Y811 WeakPolarHBondContact CG-OH 3.43Å; T809-Y811 HydrophobicContact CG2-CE2 4Å; T809-Y811 PolarHBondContact O-N 3.06Å; T809-Y811 VanDerWaalsContact O-N 3.12Å; T809-Y811 WeakPolarHBondContact OG1-CE2 3.25Å; Y811-H819 HydrophobicContact CD2-CB 4.46Å; Y811-H819 HydrophobicContact CE2-CB 4.39Å | ||
| 812 | G | 36.3 | Very low | 47.9 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 74% | 0.742 | 57% | 0.572 | S | S | * | * | trans | -66.1 | 143.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | D814 | G812-D814 PolarHBondContact O-N 3.17Š| ||
| 813 | S | 36.3 | Very low | 47 | Very low | 101.25 Ų | 101.25 | 113.6 Ų | 113.6 | 71% | 0.708 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -65.6 | 120.5 | 179 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | L815 L816 | S813-L815 PolarHBondContact O-N 3.28Å; S813-L816 PolarHBondContact O-N 3.08Å |
| 814 | D | 37.6 | Very low | 46.7 | Very low | 143.25 Ų | 143.25 | 114.3 Ų | 114.3 | 77% | 0.766 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -161.7 | 111.4 | 145.4 | -81.3 | -29 | 0 | 0 | 0 | 114 | G812 L816 K817 | G812-D814 PolarHBondContact O-N 3.17Å; D814-L816 PolarHBondContact O-N 3.29Å; D814-K817 WeakPolarHBondContact OD1-CE 3.31Å; D814-K817 IonicContact OD1-NZ 3.78Å; D814-K817 PolarHBondContact OD1-NZ 3.45Å |
| 815 | L | 37.1 | Very low | 47 | Very low | 156.25 Ų | 156.25 | 113.5 Ų | 113.5 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -26.9 | 49.7 | 167 | -69.7 | 165.1 | 0 | 0 | 0 | 117.5 | S813 | S813-L815 PolarHBondContact O-N 3.28Š|
| 816 | L | 37.1 | Very low | 47.8 | Very low | 134.25 Ų | 134.25 | 108.8 Ų | 108.8 | 70% | 0.703 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -174.4 | 104.8 | 160.1 | -75.3 | 160 | 0 | 0 | 0 | 114.9 | R335 S813 D814 E818 | R335-L816 VanDerWaalsContact NH2-CB 3.28Å; S813-L816 PolarHBondContact O-N 3.08Å; D814-L816 PolarHBondContact O-N 3.29Å; L816-E818 PolarHBondContact O-N 3.28Å |
| 817 | K | 40.3 | Very low | 49 | Very low | 165 Ų | 165 | 105 Ų | 105 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | trans | 30.1 | 77.9 | 175.7 | -71 | -176.7 | 178.6 | 177.8 | 0 | 116.8 | D814 H819 | D814-K817 WeakPolarHBondContact OD1-CE 3.31Å; D814-K817 IonicContact OD1-NZ 3.78Å; D814-K817 PolarHBondContact OD1-NZ 3.45Å; K817-H819 PolarHBondContact O-N 3.28Å; K817-H819 PolarHBondContact O-ND1 3.36Å | ||
| 818 | E | 38.3 | Very low | 50.5 | Low | 179.75 Ų | 179.75 | 108.2 Ų | 108.2 | 84% | 0.84 | 55% | 0.547 | S | S | * | . | trans | -68.4 | 95.2 | 166.1 | -64.8 | -174.9 | 154.9 | 0 | 0 | 112.1 | L816 K820 | L816-E818 PolarHBondContact O-N 3.28Å; E818-K820 PolarHBondContact O-N 3.16Å | ||
| 819 | H | 43.4 | Very low | 52.4 | Low | 107.75 Ų | 107.75 | 103.6 Ų | 103.6 | 50% | 0.499 | 52% | 0.523 | S | S | . | . | trans | -96.2 | 98.2 | 175.5 | -76.4 | 62.3 | 0 | 0 | 0 | 109.3 | Y811 K817 R821 | Y811-H819 HydrophobicContact CD2-CB 4.46Å; Y811-H819 HydrophobicContact CE2-CB 4.39Å; K817-H819 PolarHBondContact O-N 3.28Å; K817-H819 PolarHBondContact O-ND1 3.36Å; H819-R821 PolarHBondContact O-N 2.91Å | ||
| 820 | K | 44.2 | Very low | 54.1 | Low | 134.25 Ų | 134.25 | 102.3 Ų | 102.3 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | trans | -62.7 | 114.3 | 168.2 | -73 | -171.1 | 172.5 | -162.9 | 0 | 108.9 | E806 E818 S822 | E806-K820 VanDerWaalsContact OE1-CD 3.24Å; E806-K820 WeakPolarHBondContact OE1-CD 3.29Å; E806-K820 WeakPolarHBondContact OE1-CE 3.09Å; E806-K820 IonicContact OE1-NZ 3.08Å; E806-K820 PolarHBondContact OE1-NZ 3.16Å; E806-K820 IonicContact OE2-NZ 2.95Å; E806-K820 PolarHBondContact OE2-NZ 3.11Å; E818-K820 PolarHBondContact O-N 3.16Å; K820-S822 PolarHBondContact O-N 3.02Å; K820-S822 VanDerWaalsContact O-N 3.09Å | ||
| 821 | R | 50.9 | Low | 56.2 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 40% | 0.404 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 105.1 | 168.6 | -83.8 | -178.8 | 172.8 | 173.2 | -1.5 | 109.1 | C381 S807 H819 | C381-R821 PolarHBondContact O-NH2 3.44Å; S807-R821 PolarHBondContact N-O 2.93Å; S807-R821 VanDerWaalsContact N-O 3.11Å; S807-R821 PolarHBondContact O-N 2.74Å; S807-R821 WeakPolarHBondContact OG-CB 3.36Å; S807-R821 PolarHBondContact OG-O 3.3Å; H819-R821 PolarHBondContact O-N 2.91Å |
| 822 | S | 55.1 | Low | 58.2 | Low | 40.5 Ų | 40.5 | 88 Ų | 88 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123 | 165.6 | 89.6 | 0 | 0 | 0 | 0 | 109.1 | S395 E804 R805 K820 | S395-S822 PolarHBondContact O-OG 3.31Å; E804-S822 WeakPolarHBondContact OE2-CB 3.42Å; E804-S822 PolarHBondContact OE2-OG 3.38Å; R805-S822 WeakPolarHBondContact O-CA 3.44Å; K820-S822 PolarHBondContact O-N 3.02Å; K820-S822 VanDerWaalsContact O-N 3.09Å |
| 823 | T | 61.8 | Low | 60.3 | Low | 59.75 Ų | 59.75 | 84.6 Ų | 84.6 | 37% | 0.367 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.8 | 171.9 | 48 | 0 | 0 | 0 | 0 | 108.5 | R805 | R805-T823 WeakPolarHBondContact CB-O 3.28Å; R805-T823 PolarHBondContact N-O 3.09Å; R805-T823 PolarHBondContact O-N 3.07Å; R805-T823 VanDerWaalsContact O-N 3.07Å; R805-T823 PolarHBondContact O-OG1 3.06Å; R805-T823 VanDerWaalsContact O-OG1 3.06Å |
| 824 | K | 70 | Confident | 62.4 | Low | 57.25 Ų | 57.25 | 80.2 Ų | 80.2 | 25% | 0.249 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.5 | 176 | -69.9 | -176.7 | 179.3 | -171.7 | 0 | 109.9 | S396 F514 L516 L802 T803 E804 | S396-K824 PolarHBondContact O-NZ 2.97Å; F514-K824 HydrophobicContact CD2-CB 4.2Å; F514-K824 HydrophobicContact CE2-CB 4.41Å; F514-K824 WeakPolarHBondContact CE2-O 3.28Å; L516-K824 HydrophobicContact CD1-CD 3.62Å; L516-K824 VanDerWaalsContact CD1-CD 3.47Å; L802-K824 HydrophobicContact CD1-CB 4.12Å; L802-K824 HydrophobicContact CD1-CD 4.5Å; L802-K824 HydrophobicContact CD1-CG 4.32Å; L802-K824 HydrophobicContact CD2-CD 4.14Å; L802-K824 HydrophobicContact CG-CB 4.46Å; L802-K824 HydrophobicContact CG-CD 4.48Å; L802-K824 HydrophobicContact CG-CG 4.48Å; T803-K824 CarbonylContact O-C 3.52Å; T803-K824 WeakPolarHBondContact O-CA 3.36Å; E804-K824 HydrophobicContact CG-CD 4.39Å; E804-K824 HydrophobicContact CG-CG 4.04Å; E804-K824 WeakPolarHBondContact OE1-CE 3.35Å; E804-K824 IonicContact OE1-NZ 3.54Å; E804-K824 PolarHBondContact OE1-NZ 2.79Å; E804-K824 VanDerWaalsContact OE1-NZ 3.15Å |
| 825 | M | 73.7 | Confident | 64.4 | Low | 84.75 Ų | 84.75 | 75 Ų | 75 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.5 | 178.4 | -178 | 175.8 | 175.2 | 0 | 0 | 109.5 | T803 T827 | T803-M825 PolarHBondContact N-O 3.01Å; T803-M825 PolarHBondContact O-N 3.13Å; T803-M825 PolarHBondContact OG1-O 3.1Å; M825-T827 HydrophobicContact CE-CG2 4.31Å; M825-T827 PolarHBondContact O-N 2.86Å |
| 826 | L | 78.7 | Confident | 66.4 | Low | 50.25 Ų | 50.25 | 67.9 Ų | 67.9 | 26% | 0.263 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.1 | 171.1 | -88.8 | 151.2 | 0 | 0 | 0 | 109.7 | F514 F557 L593 Y800 E801 L802 | F514-L826 HydrophobicContact CD1-CD1 3.57Å; F514-L826 HydrophobicContact CE1-CB 4.42Å; F514-L826 HydrophobicContact CE1-CD1 3.31Å; F514-L826 VanDerWaalsContact CE1-CD1 3.48Å; F514-L826 HydrophobicContact CE1-CG 4.35Å; F514-L826 HydrophobicContact CG-CD1 4.38Å; F514-L826 HydrophobicContact CZ-CD1 4.18Å; F557-L826 HydrophobicContact CD2-CD1 4.23Å; F557-L826 HydrophobicContact CD2-CD2 4.41Å; F557-L826 HydrophobicContact CE1-CD2 4.37Å; F557-L826 HydrophobicContact CE2-CD1 4.01Å; F557-L826 HydrophobicContact CE2-CD2 4.24Å; F557-L826 HydrophobicContact CZ-CD1 4.15Å; F557-L826 HydrophobicContact CZ-CD2 4.22Å; L593-L826 HydrophobicContact CD1-CD2 3.93Å; Y800-L826 VanDerWaalsContact CB-CD2 3.49Å; Y800-L826 HydrophobicContact CD1-CD2 4.23Å; Y800-L826 HydrophobicContact CG-CD2 4.24Å; E801-L826 WeakPolarHBondContact O-CA 3.5Å; L802-L826 HydrophobicContact CB-CD2 4.46Å; L802-L826 HydrophobicContact CD1-CD1 4.39Å; L802-L826 HydrophobicContact CD1-CD2 4.12Å; L802-L826 HydrophobicContact CD1-CG 4.07Å |
| 827 | T | 79.8 | Confident | 68.4 | Low | 39.25 Ų | 39.25 | 65 Ų | 65 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.5 | 173.5 | 49 | 0 | 0 | 0 | 0 | 109.2 | Y800 E801 T803 M825 | Y800-T827 CarbonylContact C-O 3.54Å; Y800-T827 VanDerWaalsContact CA-O 3.24Å; Y800-T827 WeakPolarHBondContact CA-O 3.22Å; E801-T827 PolarHBondContact N-O 3.27Å; E801-T827 PolarHBondContact O-N 3.15Å; E801-T827 PolarHBondContact O-OG1 3.12Å; E801-T827 PolarHBondContact OE2-OG1 2.89Å; T803-T827 HydrophobicContact CG2-CG2 4.11Å; T803-T827 WeakPolarHBondContact CG2-OG1 3.23Å; T803-T827 VanDerWaalsContact OG1-CG2 3.31Å; T803-T827 WeakPolarHBondContact OG1-CG2 3.18Å; T803-T827 PolarHBondContact OG1-OG1 3.24Å; M825-T827 HydrophobicContact CE-CG2 4.31Å; M825-T827 PolarHBondContact O-N 2.86Å |
| 828 | R | 80.4 | Confident | 70.2 | Confident | 111.5 Ų | 111.5 | 59.1 Ų | 59.1 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.7 | 179.9 | -172.3 | 173.6 | 174.6 | -161.1 | -0.5 | 110.1 | Y800 S830 D835 | Y800-R828 HydrophobicContact CD1-CB 3.8Å; Y800-R828 HydrophobicContact CD1-CG 4.12Å; Y800-R828 HydrophobicContact CE1-CB 3.56Å; Y800-R828 HydrophobicContact CE1-CG 3.66Å; Y800-R828 HydrophobicContact CE2-CG 4.25Å; Y800-R828 WeakPolarHBondContact OH-CD 3.33Å; R828-S830 VanDerWaalsContact CG-O 3.29Å; R828-S830 WeakPolarHBondContact CG-O 3.24Å; R828-S830 PolarHBondContact NE-O 3.36Å; R828-D835 IonicContact CZ-OD1 2.98Å; R828-D835 VanDerWaalsContact CZ-OD1 3.31Å; R828-D835 IonicContact CZ-OD2 3.1Å; R828-D835 IonicContact NE-OD1 3.72Å; R828-D835 IonicContact NE-OD2 3.39Å; R828-D835 IonicContact NH1-OD1 3.74Å; R828-D835 IonicContact NH2-OD1 3.52Å; R828-D835 PolarHBondContact NH2-OD1 3.37Å; R828-D835 IonicContact NH2-OD2 3.45Å; R828-D835 PolarHBondContact NH2-OD2 3.07Å |
| 829 | L | 80 | Confident | 72.1 | Confident | 46.25 Ų | 46.25 | 52.8 Ų | 52.8 | 24% | 0.242 | 27% | 0.265 | C | S | . | . | trans | -92 | -41.8 | 177.6 | -58 | 176.3 | 0 | 0 | 0 | 111.5 | P580 R581 A582 P588 V592 A799 E801 | P580-L829 HydrophobicContact CB-CB 3.92Å; P580-L829 HydrophobicContact CB-CD1 4.26Å; R581-L829 WeakPolarHBondContact O-CA 3.44Å; R581-L829 VanDerWaalsContact O-O 3.13Å; A582-L829 HydrophobicContact CB-CD2 4.29Å; P588-L829 HydrophobicContact CB-CD1 4.03Å; P588-L829 HydrophobicContact CB-CD2 4.3Å; P588-L829 HydrophobicContact CG-CD1 4.26Å; V592-L829 HydrophobicContact CG1-CD1 4.3Å; V592-L829 HydrophobicContact CG2-CD1 4.05Å; A799-L829 HydrophobicContact CB-CB 4.33Å; A799-L829 HydrophobicContact CB-CD1 4.47Å; A799-L829 WeakPolarHBondContact O-CA 3.3Å; A799-L829 WeakPolarHBondContact O-CB 3.25Å; A799-L829 PolarHBondContact O-N 3.4Å; E801-L829 HydrophobicContact CB-CD1 4.08Å; E801-L829 HydrophobicContact CB-CD2 3.95Å; E801-L829 HydrophobicContact CB-CG 4.06Å | ||
| 830 | S | 79.1 | Confident | 73.6 | Confident | 28.5 Ų | 28.5 | 51.2 Ų | 51.2 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | trans | -140.9 | 157 | -179 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | Y578 G798 A799 R828 | Y578-S830 WeakPolarHBondContact OH-CB 3.46Å; G798-S830 WeakPolarHBondContact CA-O 3.3Å; A799-S830 WeakPolarHBondContact CB-OG 3.33Å; A799-S830 PolarHBondContact N-O 3.14Å; A799-S830 PolarHBondContact N-OG 2.88Å; A799-S830 VanDerWaalsContact N-OG 3.13Å; A799-S830 PolarHBondContact O-N 3.13Å; A799-S830 VanDerWaalsContact O-N 3.14Å; R828-S830 VanDerWaalsContact CG-O 3.29Å; R828-S830 WeakPolarHBondContact CG-O 3.24Å; R828-S830 PolarHBondContact NE-O 3.36Å | ||
| 831 | A | 79.2 | Confident | 75 | Confident | 26.5 Ų | 26.5 | 49.7 Ų | 49.7 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | trans | -88.9 | 141.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D835 P1048 | A831-D835 WeakPolarHBondContact CA-OD2 3.47Å; A831-P1048 HydrophobicContact CB-CG 3.99Å; A831-P1048 VanDerWaalsContact O-CD 3.29Å; A831-P1048 WeakPolarHBondContact O-CD 3.38Å; A831-P1048 WeakPolarHBondContact O-CG 3.34Å | ||
| 832 | G | 82.7 | Confident | 75.6 | Confident | 1.75 Ų | 1.75 | 49.5 Ų | 49.5 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | trans | -125 | -172.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L796 Q834 D835 | L796-G832 CarbonylContact O-C 3.48Å; L796-G832 VanDerWaalsContact O-CA 3.28Å; L796-G832 WeakPolarHBondContact O-CA 3.34Å; G832-Q834 VanDerWaalsContact C-OE1 3.28Å; G832-Q834 VanDerWaalsContact CA-OE1 3.28Å; G832-Q834 PolarHBondContact O-N 3.26Å; G832-D835 PolarHBondContact N-OD2 3.22Å; G832-D835 WeakPolarHBondContact O-CB 3.14Å; G832-D835 PolarHBondContact O-N 3.13Å; G832-D835 VanDerWaalsContact O-N 3.11Å | ||
| 833 | L | 80.2 | Confident | 75.5 | Confident | 2.25 Ų | 2.25 | 51.6 Ų | 51.6 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -65.2 | -18.2 | -179.9 | -71.4 | 175 | 0 | 0 | 0 | 113.6 | L796 D835 L836 I952 V977 I1021 L1044 Y1047 | L796-L833 HydrophobicContact CB-CD1 3.98Å; L796-L833 HydrophobicContact CD1-CD1 4.33Å; L796-L833 HydrophobicContact CD2-CD1 3.68Å; L796-L833 HydrophobicContact CD2-CG 4.44Å; L796-L833 HydrophobicContact CG-CD1 4.24Å; L796-L833 PolarHBondContact O-N 2.84Å; L833-D835 PolarHBondContact O-N 2.94Å; L833-D835 VanDerWaalsContact O-N 3.15Å; L833-L836 HydrophobicContact CB-CD1 4.3Å; L833-L836 HydrophobicContact CB-CG 4.47Å; L833-L836 HydrophobicContact CD2-CD1 3.96Å; L833-L836 HydrophobicContact CD2-CD2 4.2Å; L833-L836 HydrophobicContact CD2-CG 4.17Å; L833-L836 WeakPolarHBondContact O-CB 3.31Å; L833-L836 WeakPolarHBondContact O-CD1 3.4Å; L833-L836 VanDerWaalsContact O-CG 3.25Å; L833-L836 WeakPolarHBondContact O-CG 3.31Å; L833-L836 PolarHBondContact O-N 2.77Å; L833-L836 VanDerWaalsContact O-N 3.16Å; L833-I952 HydrophobicContact CB-CD1 3.56Å; L833-I952 HydrophobicContact CD1-CD1 3.8Å; L833-I952 HydrophobicContact CG-CD1 4.34Å; L833-V977 HydrophobicContact CD1-CG2 4.29Å; L833-I1021 HydrophobicContact CD1-CD1 3.41Å; L833-I1021 VanDerWaalsContact CD1-CD1 3.42Å; L833-I1021 HydrophobicContact CD2-CD1 3.99Å; L833-I1021 HydrophobicContact CG-CD1 4.38Å; L833-L1044 HydrophobicContact CD2-CD2 4.19Å; L833-Y1047 HydrophobicContact CD2-CD1 4.07Å; L833-Y1047 HydrophobicContact CD2-CD2 3.96Å; L833-Y1047 HydrophobicContact CD2-CE1 4.25Å; L833-Y1047 HydrophobicContact CD2-CE2 4.22Å; L833-Y1047 HydrophobicContact CD2-CG 3.97Å; L833-Y1047 HydrophobicContact CG-CD2 4.15Å; L833-Y1047 HydrophobicContact CG-CE2 4.04Å; L833-Y1047 HydrophobicContact CG-CG 4.4Å |
| 834 | Q | 80.7 | Confident | 74.8 | Confident | 7.75 Ų | 7.75 | 56 Ų | 56 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -60.5 | -27.1 | 171.5 | 69.2 | -90.1 | 32.1 | 0 | 0 | 112.5 | E595 R598 G832 L836 F877 K950 | E595-Q834 PolarHBondContact OE2-NE2 2.72Å; R598-Q834 PolarHBondContact NH2-O 2.75Å; G832-Q834 VanDerWaalsContact C-OE1 3.28Å; G832-Q834 VanDerWaalsContact CA-OE1 3.28Å; G832-Q834 PolarHBondContact O-N 3.26Å; Q834-L836 VanDerWaalsContact C-N 3.31Å; Q834-L836 PolarHBondContact O-N 2.93Å; Q834-F877 HydrophobicContact CB-CB 4.43Å; Q834-F877 HydrophobicContact CB-CD1 3.78Å; Q834-F877 HydrophobicContact CB-CD2 3.71Å; Q834-F877 HydrophobicContact CB-CE1 3.82Å; Q834-F877 HydrophobicContact CB-CE2 3.75Å; Q834-F877 HydrophobicContact CB-CG 3.72Å; Q834-F877 HydrophobicContact CB-CZ 3.81Å; Q834-F877 HydrophobicContact CG-CE1 4.5Å; Q834-K950 PolarHBondContact O-NZ 2.84Å |
| 835 | D | 79.7 | Confident | 73.8 | Confident | 34.25 Ų | 34.25 | 57.2 Ų | 57.2 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -91.8 | 10.9 | -177.2 | -53.1 | -65.4 | 0 | 0 | 0 | 113.5 | R598 R828 A831 G832 L833 E837 | R598-D835 IonicContact CZ-OD1 3.47Å; R598-D835 IonicContact NH1-OD1 3.6Å; R598-D835 PolarHBondContact NH1-OD1 2.98Å; R598-D835 IonicContact NH2-OD1 3.36Å; R598-D835 PolarHBondContact NH2-OD1 2.88Å; R828-D835 IonicContact CZ-OD1 2.98Å; R828-D835 VanDerWaalsContact CZ-OD1 3.31Å; R828-D835 IonicContact CZ-OD2 3.1Å; R828-D835 IonicContact NE-OD1 3.72Å; R828-D835 IonicContact NE-OD2 3.39Å; R828-D835 IonicContact NH1-OD1 3.74Å; R828-D835 IonicContact NH2-OD1 3.52Å; R828-D835 PolarHBondContact NH2-OD1 3.37Å; R828-D835 IonicContact NH2-OD2 3.45Å; R828-D835 PolarHBondContact NH2-OD2 3.07Å; A831-D835 WeakPolarHBondContact CA-OD2 3.47Å; G832-D835 PolarHBondContact N-OD2 3.22Å; G832-D835 WeakPolarHBondContact O-CB 3.14Å; G832-D835 PolarHBondContact O-N 3.13Å; G832-D835 VanDerWaalsContact O-N 3.11Å; L833-D835 PolarHBondContact O-N 2.94Å; L833-D835 VanDerWaalsContact O-N 3.15Å; D835-E837 PolarHBondContact O-N 2.85Å |
| 836 | L | 79.6 | Confident | 72.6 | Confident | 8.25 Ų | 8.25 | 60.9 Ų | 60.9 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | trans | -51.7 | 125.1 | 171.7 | -80.9 | 169.3 | 0 | 0 | 0 | 110.7 | L833 Q834 K950 V977 V1042 L1044 | L833-L836 HydrophobicContact CB-CD1 4.3Å; L833-L836 HydrophobicContact CB-CG 4.47Å; L833-L836 HydrophobicContact CD2-CD1 3.96Å; L833-L836 HydrophobicContact CD2-CD2 4.2Å; L833-L836 HydrophobicContact CD2-CG 4.17Å; L833-L836 WeakPolarHBondContact O-CB 3.31Å; L833-L836 WeakPolarHBondContact O-CD1 3.4Å; L833-L836 VanDerWaalsContact O-CG 3.25Å; L833-L836 WeakPolarHBondContact O-CG 3.31Å; L833-L836 PolarHBondContact O-N 2.77Å; L833-L836 VanDerWaalsContact O-N 3.16Å; Q834-L836 VanDerWaalsContact C-N 3.31Å; Q834-L836 PolarHBondContact O-N 2.93Å; L836-K950 WeakPolarHBondContact O-CE 3.31Å; L836-K950 PolarHBondContact O-NZ 2.89Å; L836-V977 HydrophobicContact CD1-CG1 4.31Å; L836-V1042 HydrophobicContact CD1-CG1 4.32Å; L836-V1042 HydrophobicContact CD2-CG1 4.1Å; L836-L1044 HydrophobicContact CD2-CB 4.46Å; L836-L1044 HydrophobicContact CD2-CD2 3.76Å; L836-L1044 HydrophobicContact CD2-CG 4Å | ||
| 837 | E | 77.8 | Confident | 71.2 | Confident | 73.25 Ų | 73.25 | 62.3 Ų | 62.3 | 34% | 0.342 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.1 | 178.9 | -173 | 163.6 | -135 | 0 | 0 | 109.4 | D835 S1043 R1046 | D835-E837 PolarHBondContact O-N 2.85Å; E837-S1043 PolarHBondContact N-O 2.78Å; E837-S1043 PolarHBondContact O-N 3.13Å; E837-R1046 VanDerWaalsContact CD-CZ 3.41Å; E837-R1046 VanDerWaalsContact CD-NE 3.35Å; E837-R1046 IonicContact OE1-CZ 3.32Å; E837-R1046 VanDerWaalsContact OE1-CZ 3.27Å; E837-R1046 IonicContact OE1-NE 3.12Å; E837-R1046 IonicContact OE1-NH1 3.46Å; E837-R1046 PolarHBondContact OE1-NH1 3.18Å; E837-R1046 IonicContact OE1-NH2 3.17Å; E837-R1046 PolarHBondContact OE1-NH2 2.92Å; E837-R1046 VanDerWaalsContact OE1-NH2 3.16Å; E837-R1046 IonicContact OE2-CZ 3.61Å; E837-R1046 VanDerWaalsContact OE2-CZ 3.3Å; E837-R1046 IonicContact OE2-NE 2.93Å; E837-R1046 PolarHBondContact OE2-NE 3.19Å; E837-R1046 IonicContact OE2-NH1 3.37Å; E837-R1046 PolarHBondContact OE2-NH1 3.34Å; E837-R1046 IonicContact OE2-NH2 3.4Å; E837-R1046 PolarHBondContact OE2-NH2 3.01Å; E837-R1046 VanDerWaalsContact OE2-NH2 3.1Å |
| 838 | I | 79.8 | Confident | 69.9 | Low | 40.5 Ų | 40.5 | 68 Ų | 68 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 109.5 | 175.9 | -61.9 | 172.6 | 0 | 0 | 0 | 106 | T948 K950 I979 V981 F1040 A1041 | I838-T948 HydrophobicContact CD1-CG2 3.69Å; I838-K950 HydrophobicContact CD1-CD 4.29Å; I838-K950 VanDerWaalsContact CD1-CE 3.48Å; I838-K950 HydrophobicContact CD1-CG 4.18Å; I838-I979 HydrophobicContact CD1-CD1 4.39Å; I838-I979 HydrophobicContact CD1-CG2 3.63Å; I838-V981 HydrophobicContact CG2-CG2 4.48Å; I838-F1040 HydrophobicContact CG2-CB 3.68Å; I838-F1040 HydrophobicContact CG2-CD2 3.71Å; I838-F1040 HydrophobicContact CG2-CE2 4.47Å; I838-F1040 HydrophobicContact CG2-CG 3.79Å; I838-A1041 WeakPolarHBondContact CA-O 3.15Å |
| 839 | S | 76.8 | Confident | 68.9 | Low | 47.75 Ų | 47.75 | 66.6 Ų | 66.6 | 33% | 0.334 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.1 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | F1040 A1041 | S839-F1040 CarbonylContact O-C 3.46Å; S839-F1040 WeakPolarHBondContact O-CA 3.32Å; S839-A1041 PolarHBondContact N-O 3.29Å; S839-A1041 PolarHBondContact O-N 3.03Å; S839-A1041 PolarHBondContact OG-O 2.9Å |
| 840 | P | 75.1 | Confident | 68.1 | Low | 74.25 Ų | 74.25 | 67.1 Ų | 67.1 | 48% | 0.482 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140.3 | 167.7 | 27.8 | -33 | 0 | 0 | 0 | 109.4 | ||
| 841 | R | 73.6 | Confident | 67.3 | Low | 102.25 Ų | 102.25 | 68.8 Ų | 68.8 | 39% | 0.386 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -74.8 | -37 | 174.6 | -72.8 | -177.2 | 174.6 | -171.6 | -0.3 | 111.7 | A843 L1033 S1036 L1038 S1039 F1040 A1041 | R841-A843 PolarHBondContact O-N 3.03Å; R841-A843 VanDerWaalsContact O-N 3.17Å; R841-L1033 PolarHBondContact NH2-O 3.1Å; R841-S1036 VanDerWaalsContact CZ-O 3.25Å; R841-S1036 PolarHBondContact NH1-O 3.15Å; R841-S1036 PolarHBondContact NH2-O 3.13Å; R841-L1038 WeakPolarHBondContact CD-O 3.35Å; R841-S1039 WeakPolarHBondContact CB-O 3.41Å; R841-S1039 PolarHBondContact N-O 3.05Å; R841-F1040 PolarHBondContact NE-O 3.46Å; R841-A1041 HydrophobicContact CG-CB 3.89Å |
| 842 | D | 64.5 | Low | 66.5 | Low | 102.25 Ų | 102.25 | 69.4 Ų | 69.4 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | trans | -105.9 | 108.4 | -177.2 | -58.9 | -36.4 | 0 | 0 | 0 | 109.8 | D844 T845 | D842-D844 VanDerWaalsContact C-N 3.25Å; D842-D844 PolarHBondContact O-N 2.91Å; D842-D844 VanDerWaalsContact O-N 3.16Å; D842-T845 HydrophobicContact CB-CG2 4.36Å; D842-T845 PolarHBondContact O-N 3.14Å; D842-T845 PolarHBondContact O-OG1 3.01Å | ||
| 843 | A | 52.3 | Low | 65.4 | Low | 85.25 Ų | 85.25 | 73.8 Ų | 73.8 | 71% | 0.705 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -64.6 | -23.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R841 T845 | R841-A843 PolarHBondContact O-N 3.03Å; R841-A843 VanDerWaalsContact O-N 3.17Å; A843-T845 VanDerWaalsContact C-N 3.29Å; A843-T845 PolarHBondContact O-N 3.08Å; A843-T845 VanDerWaalsContact O-N 3.14Å |
| 844 | D | 48 | Very low | 64.6 | Low | 151.75 Ų | 151.75 | 76 Ų | 76 | 81% | 0.811 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -72.9 | -11.9 | -176.7 | -67.1 | -25.2 | 0 | 0 | 0 | 113.6 | D842 Q846 S847 | D842-D844 VanDerWaalsContact C-N 3.25Å; D842-D844 PolarHBondContact O-N 2.91Å; D842-D844 VanDerWaalsContact O-N 3.16Å; D844-Q846 VanDerWaalsContact C-N 3.29Å; D844-Q846 PolarHBondContact O-N 3.01Å; D844-S847 PolarHBondContact O-N 2.79Å; D844-S847 PolarHBondContact O-OG 2.77Å |
| 845 | T | 48.3 | Very low | 63.8 | Low | 82.75 Ų | 82.75 | 77.2 Ų | 77.2 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -74.6 | 21.6 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | D842 A843 S847 | D842-T845 HydrophobicContact CB-CG2 4.36Å; D842-T845 PolarHBondContact O-N 3.14Å; D842-T845 PolarHBondContact O-OG1 3.01Å; A843-T845 VanDerWaalsContact C-N 3.29Å; A843-T845 PolarHBondContact O-N 3.08Å; A843-T845 VanDerWaalsContact O-N 3.14Å; T845-S847 PolarHBondContact O-N 3.35Å |
| 846 | Q | 48.6 | Very low | 62.9 | Low | 162.75 Ų | 162.75 | 77.1 Ų | 77.1 | 76% | 0.761 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -73.5 | 38.7 | 162 | -72.8 | -171.6 | -8 | 0 | 0 | 110.4 | D844 N848 | D844-Q846 VanDerWaalsContact C-N 3.29Å; D844-Q846 PolarHBondContact O-N 3.01Å; Q846-N848 PolarHBondContact O-N 2.99Å |
| 847 | S | 48.7 | Very low | 61.9 | Low | 78.75 Ų | 78.75 | 80.3 Ų | 80.3 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 57.9 | -177.6 | 57.5 | 0 | 0 | 0 | 0 | 112 | D844 T845 F849 | D844-S847 PolarHBondContact O-N 2.79Å; D844-S847 PolarHBondContact O-OG 2.77Å; T845-S847 PolarHBondContact O-N 3.35Å; S847-F849 PolarHBondContact O-N 3.21Å; S847-F849 WeakPolarHBondContact OG-CD2 3.11Å; S847-F849 WeakPolarHBondContact OG-CE2 3.19Å |
| 848 | N | 52.7 | Low | 60.8 | Low | 159.25 Ų | 159.25 | 78.8 Ų | 78.8 | 85% | 0.852 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 44.1 | 178.3 | -73.6 | -19.1 | 0 | 0 | 0 | 111.6 | Q846 V850 | Q846-N848 PolarHBondContact O-N 2.99Å; N848-V850 PolarHBondContact O-N 3.06Å |
| 849 | F | 59.3 | Low | 59.5 | Low | 81.75 Ų | 81.75 | 82.8 Ų | 82.8 | 36% | 0.359 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 129.9 | 172.5 | -155 | -107.6 | 0 | 0 | 0 | 109.4 | S847 S851 W869 T870 A943 M944 P945 A984 | S847-F849 PolarHBondContact O-N 3.21Å; S847-F849 WeakPolarHBondContact OG-CD2 3.11Å; S847-F849 WeakPolarHBondContact OG-CE2 3.19Å; F849-S851 PolarHBondContact O-N 3.04Å; F849-S851 VanDerWaalsContact O-N 3.14Å; F849-W869 HydrophobicContact CD1-CZ2 4.34Å; F849-W869 AromaticContact CE1-CE2 3.69Å; F849-W869 AromaticContact CE1-CZ2 3.84Å; F849-W869 HydrophobicContact CE1-CZ2 3.84Å; F849-W869 AromaticContact CE1-NE1 3.3Å; F849-W869 VanDerWaalsContact CE1-NE1 3.34Å; F849-W869 AromaticContact CZ-CD1 3.94Å; F849-W869 AromaticContact CZ-NE1 3.62Å; F849-T870 WeakPolarHBondContact CE1-O 3.21Å; F849-A943 HydrophobicContact CE2-CB 4.06Å; F849-A943 HydrophobicContact CZ-CB 4.18Å; F849-M944 VanDerWaalsContact CE2-O 3.28Å; F849-M944 WeakPolarHBondContact CE2-O 3.29Å; F849-M944 VanDerWaalsContact CZ-C 3.41Å; F849-M944 VanDerWaalsContact CZ-N 3.35Å; F849-P945 HydrophobicContact CB-CB 4.44Å; F849-P945 HydrophobicContact CD1-CB 4.09Å; F849-P945 HydrophobicContact CD1-CG 4.38Å; F849-P945 HydrophobicContact CD2-CB 4.06Å; F849-P945 HydrophobicContact CE1-CB 4.23Å; F849-P945 HydrophobicContact CE1-CG 4.23Å; F849-P945 HydrophobicContact CE2-CB 4.2Å; F849-P945 VanDerWaalsContact CE2-N 3.32Å; F849-P945 HydrophobicContact CG-CB 3.95Å; F849-P945 HydrophobicContact CZ-CB 4.36Å; F849-P945 VanDerWaalsContact CZ-CD 3.45Å; F849-P945 HydrophobicContact CZ-CG 4.32Å; F849-A984 HydrophobicContact CD2-CB 4.45Å |
| 850 | V | 62.6 | Low | 58.2 | Low | 58.25 Ų | 58.25 | 89.8 Ų | 89.8 | 35% | 0.353 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 119.7 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | N848 V852 A854 F855 W869 | N848-V850 PolarHBondContact O-N 3.06Å; V850-V852 PolarHBondContact O-N 3.04Å; V850-A854 HydrophobicContact CG1-CB 3.79Å; V850-F855 HydrophobicContact CG1-CB 4.04Å; V850-F855 HydrophobicContact CG1-CD2 4.04Å; V850-W869 PolarHBondContact O-NE1 3.3Å; V850-W869 VanDerWaalsContact O-NE1 3.11Å |
| 851 | S | 62.8 | Low | 57 | Low | 62.5 Ų | 62.5 | 88.6 Ų | 88.6 | 44% | 0.437 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 148 | 177.4 | 69 | 0 | 0 | 0 | 0 | 110.2 | F849 E853 A854 F855 | F849-S851 PolarHBondContact O-N 3.04Å; F849-S851 VanDerWaalsContact O-N 3.14Å; S851-E853 CarbonylContact O-C 3.58Å; S851-E853 PolarHBondContact O-N 2.92Å; S851-E853 PolarHBondContact OG-OE2 2.89Å; S851-A854 CarbonylContact O-C 3.51Å; S851-A854 WeakPolarHBondContact O-CA 3.4Å; S851-A854 WeakPolarHBondContact O-CB 3.27Å; S851-A854 PolarHBondContact O-N 2.92Å; S851-A854 VanDerWaalsContact O-N 3.08Å; S851-A854 VanDerWaalsContact OG-CB 3.27Å; S851-A854 WeakPolarHBondContact OG-CB 3.36Å; S851-A854 PolarHBondContact OG-N 3Å; S851-A854 VanDerWaalsContact OG-N 3.16Å; S851-F855 PolarHBondContact O-N 2.83Å |
| 852 | V | 62 | Low | 56 | Low | 40.5 Ų | 40.5 | 86.6 Ų | 86.6 | 25% | 0.245 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -50.6 | -42.7 | 178.3 | 178 | 0 | 0 | 0 | 0 | 111.4 | V670 L673 V850 A854 F855 L856 W869 | V670-V852 HydrophobicContact CG2-CG1 4.23Å; L673-V852 HydrophobicContact CB-CG1 4.47Å; L673-V852 HydrophobicContact CB-CG2 3.87Å; L673-V852 HydrophobicContact CD1-CB 4.24Å; L673-V852 HydrophobicContact CD1-CG1 3.43Å; L673-V852 VanDerWaalsContact CD1-CG1 3.48Å; L673-V852 HydrophobicContact CD1-CG2 3.73Å; L673-V852 HydrophobicContact CG-CG2 4.36Å; V850-V852 PolarHBondContact O-N 3.04Å; V852-A854 VanDerWaalsContact C-N 3.32Å; V852-A854 PolarHBondContact O-N 2.89Å; V852-F855 PolarHBondContact O-N 3.2Å; V852-F855 VanDerWaalsContact O-N 3.15Å; V852-L856 HydrophobicContact CG1-CD1 3.66Å; V852-L856 HydrophobicContact CG1-CG 4.08Å; V852-L856 WeakPolarHBondContact O-CB 3.42Å; V852-L856 VanDerWaalsContact O-CG 3.29Å; V852-L856 WeakPolarHBondContact O-CG 3.33Å; V852-L856 PolarHBondContact O-N 3.08Å; V852-W869 HydrophobicContact CB-CH2 4.47Å; V852-W869 HydrophobicContact CB-CZ2 4.36Å; V852-W869 HydrophobicContact CG2-CD2 4.02Å; V852-W869 HydrophobicContact CG2-CE3 3.89Å; V852-W869 HydrophobicContact CG2-CH2 3.14Å; V852-W869 HydrophobicContact CG2-CZ2 3.29Å; V852-W869 HydrophobicContact CG2-CZ3 3.47Å |
| 853 | E | 59.9 | Low | 55.5 | Low | 94.5 Ų | 94.5 | 85.4 Ų | 85.4 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.8 | -63.6 | 169.3 | 169 | 0 | 0 | 112 | V670 R674 S851 F855 L856 F857 | V670-E853 HydrophobicContact CG1-CG 4.23Å; V670-E853 VanDerWaalsContact CG1-OE1 3.28Å; V670-E853 WeakPolarHBondContact CG1-OE1 3.49Å; V670-E853 HydrophobicContact CG2-CG 4.37Å; R674-E853 IonicContact CZ-OE1 3.47Å; R674-E853 VanDerWaalsContact CZ-OE1 3.26Å; R674-E853 IonicContact CZ-OE2 3.61Å; R674-E853 IonicContact NE-OE1 3.89Å; R674-E853 IonicContact NH1-OE1 3.16Å; R674-E853 PolarHBondContact NH1-OE1 2.84Å; R674-E853 IonicContact NH1-OE2 2.62Å; R674-E853 IonicContact NH2-OE1 3.15Å; R674-E853 PolarHBondContact NH2-OE1 2.89Å; R674-E853 IonicContact NH2-OE2 3.58Å; R674-E853 PolarHBondContact NH2-OE2 2.86Å; S851-E853 CarbonylContact O-C 3.58Å; S851-E853 PolarHBondContact O-N 2.92Å; S851-E853 PolarHBondContact OG-OE2 2.89Å; E853-F855 VanDerWaalsContact C-N 3.33Å; E853-F855 PolarHBondContact O-N 3.01Å; E853-L856 PolarHBondContact O-N 2.96Å; E853-F857 HydrophobicContact CB-CD2 4.31Å; E853-F857 WeakPolarHBondContact O-CA 3.41Å; E853-F857 VanDerWaalsContact O-CB 3.28Å; E853-F857 WeakPolarHBondContact O-CB 3.41Å; E853-F857 VanDerWaalsContact O-CD2 3.29Å; E853-F857 WeakPolarHBondContact O-CD2 3.4Å; E853-F857 PolarHBondContact O-N 3.1Å |
| 854 | A | 63.8 | Low | 56 | Low | 48 Ų | 48 | 81.8 Ų | 81.8 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.3 | -26.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | V850 S851 V852 G858 | V850-A854 HydrophobicContact CG1-CB 3.79Å; S851-A854 CarbonylContact O-C 3.51Å; S851-A854 WeakPolarHBondContact O-CA 3.4Å; S851-A854 WeakPolarHBondContact O-CB 3.27Å; S851-A854 PolarHBondContact O-N 2.92Å; S851-A854 VanDerWaalsContact O-N 3.08Å; S851-A854 VanDerWaalsContact OG-CB 3.27Å; S851-A854 WeakPolarHBondContact OG-CB 3.36Å; S851-A854 PolarHBondContact OG-N 3Å; S851-A854 VanDerWaalsContact OG-N 3.16Å; V852-A854 VanDerWaalsContact C-N 3.32Å; V852-A854 PolarHBondContact O-N 2.89Å; A854-G858 VanDerWaalsContact O-CA 3.26Å; A854-G858 WeakPolarHBondContact O-CA 3.35Å; A854-G858 PolarHBondContact O-N 3Å |
| 855 | F | 63.8 | Low | 57 | Low | 32 Ų | 32 | 75.3 Ų | 75.3 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -78.7 | -40.8 | 174.6 | -162.8 | -106.3 | 0 | 0 | 0 | 112.3 | F607 V850 S851 V852 E853 F857 L868 W869 R941 A943 | F607-F855 HydrophobicContact CD1-CD1 4.37Å; F607-F855 HydrophobicContact CD1-CE1 4.19Å; F607-F855 AromaticContact CE1-CD1 3.83Å; F607-F855 HydrophobicContact CE1-CD1 3.83Å; F607-F855 AromaticContact CE1-CE1 3.45Å; F607-F855 HydrophobicContact CE1-CE1 3.45Å; F607-F855 VanDerWaalsContact CE1-CE1 3.43Å; F607-F855 HydrophobicContact CE1-CZ 4.35Å; F607-F855 HydrophobicContact CZ-CE1 4.33Å; V850-F855 HydrophobicContact CG1-CB 4.04Å; V850-F855 HydrophobicContact CG1-CD2 4.04Å; S851-F855 PolarHBondContact O-N 2.83Å; V852-F855 PolarHBondContact O-N 3.2Å; V852-F855 VanDerWaalsContact O-N 3.15Å; E853-F855 VanDerWaalsContact C-N 3.33Å; E853-F855 PolarHBondContact O-N 3.01Å; F855-F857 VanDerWaalsContact C-N 3.3Å; F855-F857 PolarHBondContact O-N 3.49Å; F855-L868 VanDerWaalsContact CZ-O 3.3Å; F855-L868 WeakPolarHBondContact CZ-O 3.47Å; F855-W869 HydrophobicContact CD1-CB 3.62Å; F855-W869 AromaticContact CD1-CD1 3.83Å; F855-W869 AromaticContact CD1-CG 3.94Å; F855-W869 HydrophobicContact CD1-CG 4.02Å; F855-W869 HydrophobicContact CD1-CZ3 4.22Å; F855-W869 AromaticContact CD2-CD1 3.69Å; F855-W869 HydrophobicContact CE1-CB 3.56Å; F855-W869 HydrophobicContact CE1-CG 4.38Å; F855-W869 HydrophobicContact CG-CB 4.26Å; F855-W869 AromaticContact CG-CD1 3.66Å; F855-W869 VanDerWaalsContact CG-CD1 3.43Å; F855-W869 HydrophobicContact CG-CG 4.24Å; F855-W869 HydrophobicContact CZ-CB 4.18Å; F855-R941 HydrophobicContact CD2-CG 4.34Å; F855-R941 VanDerWaalsContact CE1-NH2 3.26Å; F855-R941 HydrophobicContact CE2-CB 4.03Å; F855-R941 HydrophobicContact CE2-CG 3.66Å; F855-R941 HydrophobicContact CZ-CB 4.12Å; F855-R941 HydrophobicContact CZ-CG 4.01Å; F855-R941 PolarHBondContact O-NH1 2.77Å; F855-A943 HydrophobicContact CD2-CB 3.69Å; F855-A943 VanDerWaalsContact CD2-CB 3.5Å; F855-A943 HydrophobicContact CE2-CB 3.42Å; F855-A943 VanDerWaalsContact CE2-CB 3.5Å; F855-A943 HydrophobicContact CZ-CB 4.3Å |
| 856 | L | 61.5 | Low | 58.4 | Low | 33 Ų | 33 | 74.2 Ų | 74.2 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -76 | -31.3 | -179.2 | -69.6 | 177.8 | 0 | 0 | 0 | 113.5 | F607 A669 V852 E853 L861 | F607-L856 HydrophobicContact CB-CD2 4.05Å; F607-L856 HydrophobicContact CD1-CD2 3.35Å; F607-L856 HydrophobicContact CE1-CD2 3.65Å; F607-L856 HydrophobicContact CG-CD2 4.08Å; F607-L856 HydrophobicContact CZ-CD2 4.47Å; A669-L856 HydrophobicContact CB-CD1 4.14Å; V852-L856 HydrophobicContact CG1-CD1 3.66Å; V852-L856 HydrophobicContact CG1-CG 4.08Å; V852-L856 WeakPolarHBondContact O-CB 3.42Å; V852-L856 VanDerWaalsContact O-CG 3.29Å; V852-L856 WeakPolarHBondContact O-CG 3.33Å; V852-L856 PolarHBondContact O-N 3.08Å; E853-L856 PolarHBondContact O-N 2.96Å; L856-L861 VanDerWaalsContact O-CD1 3.3Å; L856-L861 WeakPolarHBondContact O-CD1 3.43Å |
| 857 | F | 58.9 | Low | 59.7 | Low | 75.75 Ų | 75.75 | 66.9 Ų | 66.9 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -124.6 | 2.2 | -171.4 | -49.6 | -61.7 | 0 | 0 | 0 | 114.5 | Q647 M648 V652 V670 E853 F855 D859 | Q647-F857 HydrophobicContact CB-CE1 4.49Å; Q647-F857 HydrophobicContact CB-CZ 4.4Å; Q647-F857 HydrophobicContact CG-CE1 3.56Å; Q647-F857 HydrophobicContact CG-CZ 3.66Å; M648-F857 HydrophobicContact CE-CE2 3.7Å; M648-F857 HydrophobicContact CE-CZ 3.7Å; M648-F857 HydrophobicContact SD-CD1 4.32Å; M648-F857 HydrophobicContact SD-CD2 3.81Å; M648-F857 HydrophobicContact SD-CE1 3.96Å; M648-F857 HydrophobicContact SD-CE2 3.41Å; M648-F857 WeakPolarHBondContact SD-CE2 3.3Å; M648-F857 HydrophobicContact SD-CG 4.27Å; M648-F857 HydrophobicContact SD-CZ 3.51Å; M648-F857 VanDerWaalsContact SD-CZ 3.51Å; V652-F857 HydrophobicContact CB-CZ 4.43Å; V652-F857 HydrophobicContact CG1-CE2 4.47Å; V652-F857 HydrophobicContact CG1-CZ 4.3Å; V652-F857 HydrophobicContact CG2-CZ 4.03Å; V670-F857 HydrophobicContact CG2-CE2 4.23Å; E853-F857 HydrophobicContact CB-CD2 4.31Å; E853-F857 WeakPolarHBondContact O-CA 3.41Å; E853-F857 VanDerWaalsContact O-CB 3.28Å; E853-F857 WeakPolarHBondContact O-CB 3.41Å; E853-F857 VanDerWaalsContact O-CD2 3.29Å; E853-F857 WeakPolarHBondContact O-CD2 3.4Å; E853-F857 PolarHBondContact O-N 3.1Å; F855-F857 VanDerWaalsContact C-N 3.3Å; F855-F857 PolarHBondContact O-N 3.49Å; F857-D859 VanDerWaalsContact C-N 3.33Å; F857-D859 PolarHBondContact O-N 3.25Å |
| 858 | G | 54 | Low | 61.4 | Low | 41.5 Ų | 41.5 | 65.5 Ų | 65.5 | 43% | 0.428 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -72.8 | -94.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A854 Q860 R941 | A854-G858 VanDerWaalsContact O-CA 3.26Å; A854-G858 WeakPolarHBondContact O-CA 3.35Å; A854-G858 PolarHBondContact O-N 3Å; G858-Q860 PolarHBondContact O-N 2.98Å; G858-R941 PolarHBondContact O-NH1 2.77Å |
| 859 | D | 51.9 | Low | 62.7 | Low | 124.5 Ų | 124.5 | 59.6 Ų | 59.6 | 67% | 0.666 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -66.9 | 141.6 | -176 | -77.1 | -25.8 | 0 | 0 | 0 | 112.4 | F857 L861 R939 | F857-D859 VanDerWaalsContact C-N 3.33Å; F857-D859 PolarHBondContact O-N 3.25Å; D859-L861 VanDerWaalsContact C-N 3.25Å; D859-L861 PolarHBondContact O-N 3.03Å; D859-L861 VanDerWaalsContact O-N 3.09Å; D859-R939 IonicContact OD2-CZ 3.83Å; D859-R939 VanDerWaalsContact OD2-CZ 3.3Å; D859-R939 IonicContact OD2-NH1 3.22Å; D859-R939 PolarHBondContact OD2-NH1 3.19Å; D859-R939 IonicContact OD2-NH2 3.37Å; D859-R939 PolarHBondContact OD2-NH2 3.31Å |
| 860 | Q | 50.5 | Low | 63.8 | Low | 193.5 Ų | 193.5 | 56.3 Ų | 56.3 | 90% | 0.904 | 33% | 0.325 | S | S | * | . | trans | -55.7 | 95.2 | 173.9 | -70.9 | -175.6 | -5.9 | 0 | 0 | 110.4 | G858 S862 | G858-Q860 PolarHBondContact O-N 2.98Å; Q860-S862 PolarHBondContact O-N 3.27Å; Q860-S862 VanDerWaalsContact O-N 3.17Å; Q860-S862 PolarHBondContact O-OG 2.9Å | ||
| 861 | L | 49.7 | Very low | 64.5 | Low | 50.5 Ų | 50.5 | 56.7 Ų | 56.7 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | trans | -52.5 | 113.3 | 174.4 | -77.7 | 158.8 | 0 | 0 | 0 | 109.7 | R542 F607 L856 D859 D865 | R542-L861 PolarHBondContact NH1-O 3.03Å; R542-L861 PolarHBondContact NH2-O 3.49Å; F607-L861 HydrophobicContact CE2-CD1 3.9Å; F607-L861 HydrophobicContact CE2-CD2 4.13Å; F607-L861 HydrophobicContact CZ-CD1 3.87Å; F607-L861 HydrophobicContact CZ-CD2 4.01Å; L856-L861 VanDerWaalsContact O-CD1 3.3Å; L856-L861 WeakPolarHBondContact O-CD1 3.43Å; D859-L861 VanDerWaalsContact C-N 3.25Å; D859-L861 PolarHBondContact O-N 3.03Å; D859-L861 VanDerWaalsContact O-N 3.09Å; L861-D865 HydrophobicContact CD2-CB 3.98Å; L861-D865 WeakPolarHBondContact CD2-OD2 3.17Å | ||
| 862 | S | 52.5 | Low | 65.1 | Low | 59 Ų | 59 | 58.9 Ų | 58.9 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | trans | -84.2 | 155.1 | 179.3 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | N609 Q860 G864 D865 | N609-S862 PolarHBondContact ND2-O 2.78Å; N609-S862 PolarHBondContact OD1-O 2.86Å; N609-S862 VanDerWaalsContact OD1-O 3.1Å; Q860-S862 PolarHBondContact O-N 3.27Å; Q860-S862 VanDerWaalsContact O-N 3.17Å; Q860-S862 PolarHBondContact O-OG 2.9Å; S862-G864 VanDerWaalsContact C-N 3.33Å; S862-G864 PolarHBondContact O-N 2.97Å; S862-D865 WeakPolarHBondContact CB-OD1 3.28Å; S862-D865 WeakPolarHBondContact CB-OD2 3.21Å; S862-D865 PolarHBondContact N-OD2 3.2Å; S862-D865 WeakPolarHBondContact O-CB 3.47Å; S862-D865 PolarHBondContact O-N 2.95Å; S862-D865 VanDerWaalsContact O-N 3.12Å; S862-D865 VanDerWaalsContact OG-CG 3.26Å; S862-D865 PolarHBondContact OG-OD1 2.85Å; S862-D865 PolarHBondContact OG-OD2 2.86Å | ||
| 863 | C | 53 | Low | 66 | Low | 76.75 Ų | 76.75 | 57.5 Ų | 57.5 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 123.3 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | C611 F612 D865 G938 | C611-C863 VanDerWaalsContact C-SG 3.57Å; C611-C863 VanDerWaalsContact CA-CB 3.49Å; C611-C863 WeakPolarHBondContact CA-SG 3.48Å; C611-C863 HydrophobicContact CB-CB 3.54Å; C611-C863 WeakPolarHBondContact CB-SG 3.31Å; C611-C863 WeakPolarHBondContact SG-CB 3.36Å; C611-C863 CovalentContact SG-SG 2.04Å; C611-C863 PolarHBondContact SG-SG 2.72Å; F612-C863 HydrophobicContact CB-CB 4.22Å; F612-C863 PolarHBondContact N-SG 2.83Å; C863-D865 VanDerWaalsContact O-CG 3.28Å; C863-D865 PolarHBondContact O-N 3.23Å; C863-G938 WeakPolarHBondContact O-CA 3.3Å |
| 864 | G | 62.8 | Low | 67.3 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.8 | 18.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N609 C611 S862 G938 R939 | N609-G864 CarbonylContact O-C 3.54Å; N609-G864 WeakPolarHBondContact O-CA 3.36Å; N609-G864 PolarHBondContact O-N 2.83Å; N609-G864 PolarHBondContact OD1-N 3.45Å; C611-G864 PolarHBondContact SG-N 2.83Å; S862-G864 VanDerWaalsContact C-N 3.33Å; S862-G864 PolarHBondContact O-N 2.97Å; G864-G938 CarbonylContact O-C 3.52Å; G864-G938 VanDerWaalsContact O-CA 3.25Å; G864-G938 WeakPolarHBondContact O-CA 3.37Å; G864-G938 PolarHBondContact O-N 3.08Å; G864-G938 VanDerWaalsContact O-N 3.11Å; G864-R939 PolarHBondContact O-N 3.37Å |
| 865 | D | 70.2 | Confident | 68.5 | Low | 15.75 Ų | 15.75 | 57.4 Ų | 57.4 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -81.1 | 133.5 | -174.9 | -66.9 | -7.1 | 0 | 0 | 0 | 111.6 | F607 S608 N609 L861 S862 C863 R939 R941 | F607-D865 HydrophobicContact CE2-CB 4.24Å; S608-D865 CarbonylContact C-O 3.51Å; S608-D865 VanDerWaalsContact CA-O 3.28Å; S608-D865 WeakPolarHBondContact CA-O 3.19Å; N609-D865 PolarHBondContact N-O 3.16Å; N609-D865 PolarHBondContact O-N 3.14Å; N609-D865 PolarHBondContact OD1-N 2.96Å; L861-D865 HydrophobicContact CD2-CB 3.98Å; L861-D865 WeakPolarHBondContact CD2-OD2 3.17Å; S862-D865 WeakPolarHBondContact CB-OD1 3.28Å; S862-D865 WeakPolarHBondContact CB-OD2 3.21Å; S862-D865 PolarHBondContact N-OD2 3.2Å; S862-D865 WeakPolarHBondContact O-CB 3.47Å; S862-D865 PolarHBondContact O-N 2.95Å; S862-D865 VanDerWaalsContact O-N 3.12Å; S862-D865 VanDerWaalsContact OG-CG 3.26Å; S862-D865 PolarHBondContact OG-OD1 2.85Å; S862-D865 PolarHBondContact OG-OD2 2.86Å; C863-D865 VanDerWaalsContact O-CG 3.28Å; C863-D865 PolarHBondContact O-N 3.23Å; D865-R939 CarbonylContact C-O 3.45Å; D865-R939 VanDerWaalsContact CA-O 3.28Å; D865-R939 WeakPolarHBondContact CA-O 3.27Å; D865-R939 HydrophobicContact CB-CB 4.42Å; D865-R939 VanDerWaalsContact OD1-CB 3.28Å; D865-R939 WeakPolarHBondContact OD1-CB 3.37Å; D865-R939 WeakPolarHBondContact OD1-CD 3.3Å; D865-R939 WeakPolarHBondContact OD1-CG 3.18Å; D865-R939 PolarHBondContact OD1-N 3.01Å; D865-R939 VanDerWaalsContact OD1-N 3.12Å; D865-R941 IonicContact OD2-CZ 3.75Å; D865-R941 IonicContact OD2-NE 2.82Å; D865-R941 IonicContact OD2-NH2 3.53Å; D865-R941 PolarHBondContact OD2-NH2 2.98Å | ||
| 866 | V | 76.2 | Confident | 69.9 | Low | 59.25 Ų | 59.25 | 59 Ų | 59 | 36% | 0.359 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.8 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | F607 R939 F940 R941 | F607-V866 CarbonylContact O-C 3.53Å; F607-V866 VanDerWaalsContact O-CA 3.27Å; F607-V866 WeakPolarHBondContact O-CA 3.45Å; V866-R939 PolarHBondContact N-O 3.14Å; V866-F940 HydrophobicContact CB-CD2 4.04Å; V866-F940 HydrophobicContact CB-CE2 4.5Å; V866-F940 HydrophobicContact CG1-CD2 3.89Å; V866-F940 HydrophobicContact CG1-CE2 4.15Å; V866-F940 CarbonylContact O-C 3.57Å; V866-F940 VanDerWaalsContact O-CA 3.26Å; V866-F940 WeakPolarHBondContact O-CA 3.39Å; V866-F940 VanDerWaalsContact O-CD2 3.29Å; V866-F940 WeakPolarHBondContact O-CD2 3.38Å; V866-R941 PolarHBondContact O-N 2.83Å |
| 867 | G | 77.6 | Confident | 71.3 | Confident | 8.75 Ų | 8.75 | 58.5 Ų | 58.5 | 9% | 0.09 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L606 F607 W869 R941 | L606-G867 CarbonylContact C-O 3.56Å; L606-G867 VanDerWaalsContact CA-O 3.27Å; L606-G867 WeakPolarHBondContact CA-O 3.24Å; F607-G867 PolarHBondContact N-O 2.9Å; F607-G867 PolarHBondContact O-N 3Å; G867-W869 PolarHBondContact O-NE1 2.83Å; G867-R941 CarbonylContact C-O 3.5Å; G867-R941 VanDerWaalsContact CA-O 3.28Å; G867-R941 WeakPolarHBondContact CA-O 3.33Å |
| 868 | L | 83 | Confident | 72.9 | Confident | 48.5 Ų | 48.5 | 56.6 Ų | 56.6 | 25% | 0.254 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.8 | 166.4 | 176.2 | 70.9 | 0 | 0 | 0 | 109.4 | I604 C605 L606 F855 T870 F940 R941 I942 A943 M944 | I604-L868 HydrophobicContact CG2-CD1 3.48Å; I604-L868 VanDerWaalsContact CG2-CD1 3.46Å; C605-L868 CarbonylContact O-C 3.47Å; C605-L868 WeakPolarHBondContact O-CA 3.45Å; L606-L868 HydrophobicContact CD2-CB 3.8Å; L606-L868 HydrophobicContact CD2-CD1 3.57Å; L606-L868 VanDerWaalsContact CD2-CD1 3.47Å; L606-L868 HydrophobicContact CD2-CG 4.24Å; L606-L868 HydrophobicContact CG-CD1 4Å; F855-L868 VanDerWaalsContact CZ-O 3.3Å; F855-L868 WeakPolarHBondContact CZ-O 3.47Å; L868-T870 HydrophobicContact CD1-CG2 4.34Å; L868-F940 HydrophobicContact CB-CE2 4.37Å; L868-F940 HydrophobicContact CB-CZ 4.26Å; L868-R941 PolarHBondContact N-O 3.24Å; L868-I942 HydrophobicContact CB-CG1 4.3Å; L868-I942 HydrophobicContact CB-CG2 4.35Å; L868-I942 HydrophobicContact CD2-CG1 4.42Å; L868-I942 HydrophobicContact CD2-CG2 4.19Å; L868-I942 HydrophobicContact CG-CG2 4.24Å; L868-I942 CarbonylContact O-C 3.53Å; L868-I942 WeakPolarHBondContact O-CA 3.38Å; L868-A943 PolarHBondContact O-N 3Å; L868-M944 HydrophobicContact CD2-CE 4.1Å |
| 869 | W | 81.6 | Confident | 74.6 | Confident | 36.25 Ų | 36.25 | 54.8 Ų | 54.8 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.6 | 178 | -160.9 | 92.3 | 0 | 0 | 0 | 111 | K603 I604 C605 L673 F849 V850 V852 F855 G867 D871 A943 | K603-W869 HydrophobicContact CB-CZ3 4.49Å; I604-W869 CarbonylContact C-O 3.56Å; I604-W869 WeakPolarHBondContact CA-O 3.48Å; C605-W869 HydrophobicContact CB-CB 4.41Å; C605-W869 HydrophobicContact CB-CE3 4.2Å; C605-W869 PolarHBondContact N-O 3.26Å; C605-W869 PolarHBondContact O-N 2.91Å; L673-W869 HydrophobicContact CB-CH2 4.31Å; L673-W869 HydrophobicContact CB-CZ3 3.75Å; L673-W869 HydrophobicContact CD1-CD2 4.33Å; L673-W869 HydrophobicContact CD1-CE3 3.44Å; L673-W869 VanDerWaalsContact CD1-CE3 3.44Å; L673-W869 HydrophobicContact CD1-CH2 4.43Å; L673-W869 HydrophobicContact CD1-CZ3 3.52Å; L673-W869 HydrophobicContact CD2-CE3 3.68Å; L673-W869 HydrophobicContact CD2-CZ3 3.7Å; L673-W869 VanDerWaalsContact CD2-CZ3 3.42Å; L673-W869 HydrophobicContact CG-CE3 4.02Å; L673-W869 HydrophobicContact CG-CZ3 3.69Å; F849-W869 HydrophobicContact CD1-CZ2 4.34Å; F849-W869 AromaticContact CE1-CE2 3.69Å; F849-W869 AromaticContact CE1-CZ2 3.84Å; F849-W869 HydrophobicContact CE1-CZ2 3.84Å; F849-W869 AromaticContact CE1-NE1 3.3Å; F849-W869 VanDerWaalsContact CE1-NE1 3.34Å; F849-W869 AromaticContact CZ-CD1 3.94Å; F849-W869 AromaticContact CZ-NE1 3.62Å; V850-W869 PolarHBondContact O-NE1 3.3Å; V850-W869 VanDerWaalsContact O-NE1 3.11Å; V852-W869 HydrophobicContact CB-CH2 4.47Å; V852-W869 HydrophobicContact CB-CZ2 4.36Å; V852-W869 HydrophobicContact CG2-CD2 4.02Å; V852-W869 HydrophobicContact CG2-CE3 3.89Å; V852-W869 HydrophobicContact CG2-CH2 3.14Å; V852-W869 HydrophobicContact CG2-CZ2 3.29Å; V852-W869 HydrophobicContact CG2-CZ3 3.47Å; F855-W869 HydrophobicContact CD1-CB 3.62Å; F855-W869 AromaticContact CD1-CD1 3.83Å; F855-W869 AromaticContact CD1-CG 3.94Å; F855-W869 HydrophobicContact CD1-CG 4.02Å; F855-W869 HydrophobicContact CD1-CZ3 4.22Å; F855-W869 AromaticContact CD2-CD1 3.69Å; F855-W869 HydrophobicContact CE1-CB 3.56Å; F855-W869 HydrophobicContact CE1-CG 4.38Å; F855-W869 HydrophobicContact CG-CB 4.26Å; F855-W869 AromaticContact CG-CD1 3.66Å; F855-W869 VanDerWaalsContact CG-CD1 3.43Å; F855-W869 HydrophobicContact CG-CG 4.24Å; F855-W869 HydrophobicContact CZ-CB 4.18Å; G867-W869 PolarHBondContact O-NE1 2.83Å; W869-D871 HydrophobicContact CH2-CB 3.45Å; W869-D871 VanDerWaalsContact CH2-CB 3.48Å; W869-D871 HydrophobicContact CZ2-CB 4.4Å; W869-D871 HydrophobicContact CZ3-CB 3.67Å; W869-D871 VanDerWaalsContact CZ3-N 3.33Å; W869-A943 VanDerWaalsContact CA-O 3.32Å; W869-A943 WeakPolarHBondContact CA-O 3.35Å; W869-A943 HydrophobicContact CE3-CB 3.95Å; W869-A943 HydrophobicContact CZ3-CB 4.19Å |
| 870 | T | 82.1 | Confident | 76.3 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138 | 173.7 | 84.3 | 0 | 0 | 0 | 0 | 111 | R602 K603 I604 F849 L868 H872 G873 A943 M944 P945 | R602-T870 PolarHBondContact O-OG1 3.32Å; K603-T870 WeakPolarHBondContact O-CA 3.24Å; I604-T870 HydrophobicContact CG1-CG2 4.14Å; I604-T870 HydrophobicContact CG2-CG2 4.35Å; F849-T870 WeakPolarHBondContact CE1-O 3.21Å; L868-T870 HydrophobicContact CD1-CG2 4.34Å; T870-H872 WeakPolarHBondContact CB-O 3.44Å; T870-H872 PolarHBondContact O-N 2.75Å; T870-H872 PolarHBondContact OG1-N 3.03Å; T870-H872 PolarHBondContact OG1-O 3.26Å; T870-H872 VanDerWaalsContact OG1-O 3.12Å; T870-G873 VanDerWaalsContact OG1-CA 3.27Å; T870-G873 WeakPolarHBondContact OG1-CA 3.35Å; T870-G873 PolarHBondContact OG1-N 3.08Å; T870-A943 PolarHBondContact N-O 2.84Å; T870-M944 HydrophobicContact CG2-CB 3.47Å; T870-M944 VanDerWaalsContact CG2-CB 3.47Å; T870-M944 HydrophobicContact CG2-CE 4.48Å; T870-M944 WeakPolarHBondContact OG1-CB 3.34Å; T870-P945 WeakPolarHBondContact O-CD 3.34Å; T870-P945 WeakPolarHBondContact O-CG 3.36Å |
| 871 | D | 75.8 | Confident | 78 | Confident | 66.75 Ų | 66.75 | 40 Ų | 40 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -78 | -28 | -178 | -157.4 | 0.4 | 0 | 0 | 0 | 113.9 | R602 K603 W869 P945 | R602-D871 PolarHBondContact O-N 3.02Å; K603-D871 HydrophobicContact CB-CB 3.85Å; K603-D871 WeakPolarHBondContact CB-OD1 3.42Å; K603-D871 HydrophobicContact CD-CB 4.33Å; K603-D871 WeakPolarHBondContact CD-OD2 3.29Å; K603-D871 HydrophobicContact CG-CB 4.45Å; K603-D871 IonicContact NZ-OD2 3.97Å; K603-D871 PolarHBondContact NZ-OD2 3.13Å; K603-D871 PolarHBondContact O-N 3.18Å; W869-D871 HydrophobicContact CH2-CB 3.45Å; W869-D871 VanDerWaalsContact CH2-CB 3.48Å; W869-D871 HydrophobicContact CZ2-CB 4.4Å; W869-D871 HydrophobicContact CZ3-CB 3.67Å; W869-D871 VanDerWaalsContact CZ3-N 3.33Å; D871-P945 VanDerWaalsContact O-CG 3.28Å; D871-P945 WeakPolarHBondContact O-CG 3.26Å |
| 872 | H | 76.4 | Confident | 79.9 | Confident | 107.5 Ų | 107.5 | 37.9 Ų | 37.9 | 50% | 0.498 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -118.1 | 22.2 | -179.1 | -66.9 | -53.5 | 0 | 0 | 0 | 112.5 | R602 T870 | R602-H872 HydrophobicContact CB-CB 4.05Å; R602-H872 VanDerWaalsContact CB-CD2 3.48Å; R602-H872 WeakPolarHBondContact CB-CD2 3.44Å; R602-H872 WeakPolarHBondContact CD-CD2 3.43Å; R602-H872 HydrophobicContact CG-CB 4.45Å; T870-H872 WeakPolarHBondContact CB-O 3.44Å; T870-H872 PolarHBondContact O-N 2.75Å; T870-H872 PolarHBondContact OG1-N 3.03Å; T870-H872 PolarHBondContact OG1-O 3.26Å; T870-H872 VanDerWaalsContact OG1-O 3.12Å |
| 873 | G | 81.2 | Confident | 81.6 | Confident | 10.75 Ų | 10.75 | 36.1 Ų | 36.1 | 11% | 0.111 | 20% | 0.199 | C | C | . | . | trans | 60.2 | 178.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | S601 T870 Q875 A946 | S601-G873 WeakPolarHBondContact CB-O 3.26Å; S601-G873 PolarHBondContact OG-O 3.38Å; T870-G873 VanDerWaalsContact OG1-CA 3.27Å; T870-G873 WeakPolarHBondContact OG1-CA 3.35Å; T870-G873 PolarHBondContact OG1-N 3.08Å; G873-Q875 PolarHBondContact O-N 2.83Å; G873-A946 CarbonylContact C-O 3.51Å; G873-A946 WeakPolarHBondContact CA-O 3.28Å | ||
| 874 | I | 87.6 | Confident | 83 | Confident | 48.75 Ų | 48.75 | 33.1 Ų | 33.1 | 25% | 0.25 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.4 | -178.8 | -57.4 | 177.9 | 0 | 0 | 0 | 109.3 | I599 L876 M944 A946 I947 T948 | I599-I874 HydrophobicContact CG2-CG2 4.36Å; I874-L876 HydrophobicContact CG2-CD1 4.42Å; I874-L876 HydrophobicContact CG2-CD2 4.08Å; I874-L876 HydrophobicContact CG2-CG 4.06Å; I874-M944 HydrophobicContact CD1-CE 3.85Å; I874-M944 HydrophobicContact CD1-SD 3.98Å; I874-M944 VanDerWaalsContact CD1-SD 3.54Å; I874-M944 HydrophobicContact CG1-SD 4.18Å; I874-A946 PolarHBondContact N-O 3.03Å; I874-A946 VanDerWaalsContact N-O 3.09Å; I874-I947 CarbonylContact O-C 3.51Å; I874-I947 WeakPolarHBondContact O-CA 3.34Å; I874-T948 PolarHBondContact O-N 3.2Å |
| 875 | Q | 89.2 | Confident | 84.1 | Confident | 92.5 Ų | 92.5 | 33.1 Ų | 33.1 | 43% | 0.432 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.2 | 171.1 | -59.7 | -169.4 | 12.5 | 0 | 0 | 109.8 | I599 Q600 G873 T948 | I599-Q875 WeakPolarHBondContact CA-O 3.24Å; Q600-Q875 HydrophobicContact CB-CB 4.4Å; Q600-Q875 PolarHBondContact N-O 3.24Å; Q600-Q875 PolarHBondContact O-N 3.27Å; G873-Q875 PolarHBondContact O-N 2.83Å; Q875-T948 CarbonylContact C-O 3.5Å; Q875-T948 WeakPolarHBondContact CA-O 3.42Å |
| 876 | L | 91.3 | Very high | 84.8 | Confident | 65.25 Ų | 65.25 | 35.5 Ų | 35.5 | 34% | 0.342 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.2 | 177.9 | -80.2 | 162.8 | 0 | 0 | 0 | 108.5 | R598 I599 I874 T878 I947 T948 C949 K950 | R598-L876 CarbonylContact O-C 3.55Å; I599-L876 HydrophobicContact CB-CD2 4.3Å; I599-L876 HydrophobicContact CD1-CD2 4.16Å; I599-L876 HydrophobicContact CG1-CD1 4.47Å; I599-L876 HydrophobicContact CG1-CD2 3.86Å; I599-L876 HydrophobicContact CG1-CG 4.22Å; I599-L876 HydrophobicContact CG2-CD2 3.87Å; I874-L876 HydrophobicContact CG2-CD1 4.42Å; I874-L876 HydrophobicContact CG2-CD2 4.08Å; I874-L876 HydrophobicContact CG2-CG 4.06Å; L876-T878 HydrophobicContact CD2-CG2 4Å; L876-I947 HydrophobicContact CD1-CG2 4.06Å; L876-T948 PolarHBondContact N-O 2.97Å; L876-C949 HydrophobicContact CB-CB 4.33Å; L876-C949 CarbonylContact O-C 3.5Å; L876-C949 WeakPolarHBondContact O-CA 3.41Å; L876-K950 PolarHBondContact O-N 3.07Å |
| 877 | F | 92 | Very high | 85.1 | Confident | 23.75 Ų | 23.75 | 32.9 Ų | 32.9 | 10% | 0.104 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.3 | 170.8 | 173.6 | -99.5 | 0 | 0 | 0 | 108.6 | L597 R598 L797 Q834 K950 I952 | L597-F877 CarbonylContact C-O 3.53Å; L597-F877 VanDerWaalsContact CA-O 3.29Å; L597-F877 WeakPolarHBondContact CA-O 3.18Å; R598-F877 HydrophobicContact CB-CB 4.1Å; R598-F877 HydrophobicContact CB-CD1 4.42Å; R598-F877 PolarHBondContact N-O 3.05Å; R598-F877 PolarHBondContact O-N 3.12Å; L797-F877 HydrophobicContact CD2-CE1 4.2Å; L797-F877 HydrophobicContact CD2-CZ 3.66Å; Q834-F877 HydrophobicContact CB-CB 4.43Å; Q834-F877 HydrophobicContact CB-CD1 3.78Å; Q834-F877 HydrophobicContact CB-CD2 3.71Å; Q834-F877 HydrophobicContact CB-CE1 3.82Å; Q834-F877 HydrophobicContact CB-CE2 3.75Å; Q834-F877 HydrophobicContact CB-CG 3.72Å; Q834-F877 HydrophobicContact CB-CZ 3.81Å; Q834-F877 HydrophobicContact CG-CE1 4.5Å; F877-K950 CarbonylContact C-O 3.53Å; F877-K950 VanDerWaalsContact CA-O 3.29Å; F877-K950 WeakPolarHBondContact CA-O 3.38Å; F877-K950 HydrophobicContact CD2-CB 3.95Å; F877-K950 HydrophobicContact CD2-CD 4.46Å; F877-K950 HydrophobicContact CE2-CB 4.44Å; F877-I952 HydrophobicContact CE2-CB 4.36Å; F877-I952 HydrophobicContact CE2-CD1 3.54Å; F877-I952 VanDerWaalsContact CE2-CD1 3.43Å; F877-I952 HydrophobicContact CE2-CG1 3.75Å; F877-I952 HydrophobicContact CE2-CG2 3.69Å; F877-I952 HydrophobicContact CZ-CB 4.34Å; F877-I952 HydrophobicContact CZ-CD1 3.81Å; F877-I952 HydrophobicContact CZ-CG1 4.18Å; F877-I952 HydrophobicContact CZ-CG2 3.5Å |
| 878 | T | 92 | Very high | 85.2 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 22% | 0.221 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.7 | -179.6 | 164.9 | 0 | 0 | 0 | 0 | 111.9 | L876 K950 T951 I952 W1169 | L876-T878 HydrophobicContact CD2-CG2 4Å; T878-K950 PolarHBondContact N-O 2.91Å; T878-K950 PolarHBondContact OG1-O 2.81Å; T878-T951 HydrophobicContact CG2-CG2 3.91Å; T878-T951 VanDerWaalsContact O-CA 3.3Å; T878-T951 WeakPolarHBondContact O-CA 3.36Å; T878-T951 WeakPolarHBondContact OG1-CG2 3.38Å; T878-I952 PolarHBondContact O-N 2.82Å; T878-I952 VanDerWaalsContact O-N 3.13Å; T878-W1169 HydrophobicContact CG2-CH2 3.68Å; T878-W1169 HydrophobicContact CG2-CZ2 4.47Å; T878-W1169 HydrophobicContact CG2-CZ3 4.19Å |
| 879 | S | 90.9 | Very high | 85.2 | Confident | 2.5 Ų | 2.5 | 35.3 Ų | 35.3 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | trans | -143.6 | 161.2 | 175 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | C596 L881 G882 I883 I952 W1169 | C596-S879 PolarHBondContact O-N 3.18Å; C596-S879 PolarHBondContact O-OG 3.36Å; S879-L881 PolarHBondContact O-N 3.18Å; S879-L881 VanDerWaalsContact O-N 3.16Å; S879-G882 WeakPolarHBondContact O-CA 3.39Å; S879-G882 PolarHBondContact O-N 3.38Å; S879-G882 PolarHBondContact OG-N 3.11Å; S879-G882 VanDerWaalsContact OG-N 3.11Å; S879-I883 PolarHBondContact O-N 3.07Å; S879-I883 VanDerWaalsContact O-N 3.1Å; S879-I952 WeakPolarHBondContact CA-O 3.43Å; S879-I952 VanDerWaalsContact CB-O 3.28Å; S879-I952 WeakPolarHBondContact CB-O 3.37Å; S879-W1169 VanDerWaalsContact C-CH2 3.42Å; S879-W1169 VanDerWaalsContact CA-CH2 3.48Å | ||
| 880 | P | 87.2 | Confident | 85.1 | Confident | 0.25 Ų | 0.25 | 36 Ų | 36 | 0% | 0.002 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53 | -35.5 | 169.7 | -26.6 | 35.1 | 0 | 0 | 0 | 112.3 | V783 Y793 G882 I883 E884 I952 Q953 W1169 A1172 | V783-P880 HydrophobicContact CG2-CB 4.41Å; Y793-P880 WeakPolarHBondContact OH-CD 3.48Å; P880-G882 VanDerWaalsContact C-N 3.35Å; P880-G882 PolarHBondContact O-N 3.24Å; P880-I883 PolarHBondContact O-N 3.18Å; P880-I883 VanDerWaalsContact O-N 3.13Å; P880-E884 PolarHBondContact O-N 3.08Å; P880-I952 WeakPolarHBondContact CD-O 3.43Å; P880-Q953 HydrophobicContact CG-CB 4.17Å; P880-Q953 HydrophobicContact CG-CG 4.23Å; P880-W1169 HydrophobicContact CG-CD2 4.13Å; P880-W1169 HydrophobicContact CG-CE3 4.49Å; P880-W1169 HydrophobicContact CG-CG 4.32Å; P880-W1169 HydrophobicContact CG-CZ2 4.22Å; P880-A1172 HydrophobicContact CB-CB 4.07Å |
| 881 | L | 86.6 | Confident | 84.8 | Confident | 6.5 Ų | 6.5 | 37.4 Ų | 37.4 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 174 | -175.1 | 64.8 | 0 | 0 | 0 | 112.4 | V558 C596 V783 L784 M790 Y793 L797 S879 I883 E884 A885 | V558-L881 HydrophobicContact CB-CD2 4.29Å; V558-L881 HydrophobicContact CB-CG 4.45Å; V558-L881 HydrophobicContact CG1-CD1 4.35Å; V558-L881 HydrophobicContact CG2-CD1 4.28Å; V558-L881 HydrophobicContact CG2-CD2 4.41Å; V558-L881 HydrophobicContact CG2-CG 4.08Å; C596-L881 HydrophobicContact CB-CB 4.18Å; C596-L881 HydrophobicContact CB-CD2 3.99Å; C596-L881 HydrophobicContact CB-CG 3.98Å; V783-L881 HydrophobicContact CG1-CD1 4.27Å; L784-L881 HydrophobicContact CD2-CD1 3.58Å; L784-L881 HydrophobicContact CG-CD1 3.76Å; M790-L881 HydrophobicContact CE-CD1 4.35Å; M790-L881 HydrophobicContact CE-CD2 4.32Å; M790-L881 HydrophobicContact SD-CD1 3.83Å; M790-L881 HydrophobicContact SD-CD2 4.23Å; Y793-L881 HydrophobicContact CD2-CD2 4.43Å; Y793-L881 HydrophobicContact CE2-CB 4.49Å; Y793-L881 HydrophobicContact CG-CD2 4.42Å; L797-L881 HydrophobicContact CD1-CD2 4.16Å; S879-L881 PolarHBondContact O-N 3.18Å; S879-L881 VanDerWaalsContact O-N 3.16Å; L881-I883 VanDerWaalsContact C-N 3.34Å; L881-E884 PolarHBondContact O-N 3.17Å; L881-A885 WeakPolarHBondContact O-CB 3.18Å; L881-A885 PolarHBondContact O-N 3.02Å |
| 882 | G | 88 | Confident | 84.6 | Confident | 7.5 Ų | 7.5 | 37.2 Ų | 37.2 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C596 S879 P880 A885 I886 | C596-G882 VanDerWaalsContact SG-CA 3.53Å; S879-G882 WeakPolarHBondContact O-CA 3.39Å; S879-G882 PolarHBondContact O-N 3.38Å; S879-G882 PolarHBondContact OG-N 3.11Å; S879-G882 VanDerWaalsContact OG-N 3.11Å; P880-G882 VanDerWaalsContact C-N 3.35Å; P880-G882 PolarHBondContact O-N 3.24Å; G882-A885 WeakPolarHBondContact O-CB 3.29Å; G882-A885 PolarHBondContact O-N 3.1Å; G882-I886 WeakPolarHBondContact O-CD1 3.35Å; G882-I886 VanDerWaalsContact O-CG1 3.3Å; G882-I886 WeakPolarHBondContact O-CG1 3.42Å; G882-I886 PolarHBondContact O-N 2.92Å; G882-I886 VanDerWaalsContact O-N 3.08Å |
| 883 | I | 88.5 | Confident | 84.3 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.108 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 173.6 | -69 | -171.7 | 0 | 0 | 0 | 111.1 | S879 P880 L881 A885 I886 G887 W1169 A1172 I1173 L1176 | S879-I883 PolarHBondContact O-N 3.07Å; S879-I883 VanDerWaalsContact O-N 3.1Å; P880-I883 PolarHBondContact O-N 3.18Å; P880-I883 VanDerWaalsContact O-N 3.13Å; L881-I883 VanDerWaalsContact C-N 3.34Å; I883-A885 VanDerWaalsContact C-N 3.29Å; I883-A885 PolarHBondContact O-N 3.08Å; I883-I886 PolarHBondContact O-N 3.04Å; I883-G887 PolarHBondContact O-N 3.11Å; I883-W1169 HydrophobicContact CD1-CE3 3.74Å; I883-W1169 HydrophobicContact CD1-CZ3 3.49Å; I883-W1169 VanDerWaalsContact CD1-CZ3 3.42Å; I883-W1169 HydrophobicContact CG1-CZ3 4.2Å; I883-A1172 HydrophobicContact CB-CB 4.06Å; I883-A1172 HydrophobicContact CG2-CB 3.8Å; I883-A1172 VanDerWaalsContact CG2-O 3.25Å; I883-A1172 WeakPolarHBondContact CG2-O 3.28Å; I883-I1173 HydrophobicContact CD1-CD1 4.43Å; I883-I1173 HydrophobicContact CD1-CG1 3.74Å; I883-L1176 HydrophobicContact CG2-CB 3.8Å; I883-L1176 HydrophobicContact CG2-CD2 3.93Å; I883-L1176 HydrophobicContact CG2-CG 4.42Å |
| 884 | E | 82.9 | Confident | 83.6 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 174.2 | -73.2 | -164.9 | 161.6 | 0 | 0 | 111.6 | T782 V783 L784 P880 L881 I886 G887 L888 A1172 R1175 | T782-E884 WeakPolarHBondContact CA-OE1 3.37Å; T782-E884 WeakPolarHBondContact CB-OE2 3.27Å; V783-E884 WeakPolarHBondContact CA-OE2 3.2Å; V783-E884 WeakPolarHBondContact CB-OE2 3.25Å; V783-E884 VanDerWaalsContact N-CD 3.32Å; V783-E884 PolarHBondContact N-OE1 3.1Å; V783-E884 VanDerWaalsContact N-OE1 3.12Å; V783-E884 PolarHBondContact N-OE2 3.07Å; V783-E884 VanDerWaalsContact N-OE2 3.1Å; L784-E884 HydrophobicContact CD1-CB 4.27Å; L784-E884 PolarHBondContact N-OE2 3.18Å; P880-E884 PolarHBondContact O-N 3.08Å; L881-E884 PolarHBondContact O-N 3.17Å; E884-I886 PolarHBondContact O-N 3.24Å; E884-G887 CarbonylContact O-C 3.56Å; E884-G887 WeakPolarHBondContact O-CA 3.39Å; E884-G887 PolarHBondContact O-N 3.18Å; E884-G887 VanDerWaalsContact O-N 3.14Å; E884-L888 WeakPolarHBondContact O-CG 3.42Å; E884-L888 PolarHBondContact O-N 3.05Å; E884-A1172 HydrophobicContact CG-CB 4.35Å; E884-R1175 IonicContact OE1-CZ 3.36Å; E884-R1175 IonicContact OE1-NH1 2.95Å; E884-R1175 PolarHBondContact OE1-NH1 3.22Å; E884-R1175 VanDerWaalsContact OE1-NH1 3.13Å |
| 885 | A | 84.9 | Confident | 82.4 | Confident | 10.25 Ų | 10.25 | 37.7 Ų | 37.7 | 9% | 0.085 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V520 T556 V558 L881 G882 I883 G887 L888 L889 | V520-A885 HydrophobicContact CG1-CB 4.2Å; V520-A885 HydrophobicContact CG2-CB 4.2Å; T556-A885 HydrophobicContact CG2-CB 3.83Å; V558-A885 HydrophobicContact CG2-CB 3.83Å; L881-A885 WeakPolarHBondContact O-CB 3.18Å; L881-A885 PolarHBondContact O-N 3.02Å; G882-A885 WeakPolarHBondContact O-CB 3.29Å; G882-A885 PolarHBondContact O-N 3.1Å; I883-A885 VanDerWaalsContact C-N 3.29Å; I883-A885 PolarHBondContact O-N 3.08Å; A885-G887 VanDerWaalsContact C-N 3.33Å; A885-L888 WeakPolarHBondContact O-CB 3.42Å; A885-L888 PolarHBondContact O-N 2.97Å; A885-L889 WeakPolarHBondContact O-CG 3.21Å; A885-L889 PolarHBondContact O-N 3.27Å |
| 886 | I | 86.9 | Confident | 80.9 | Confident | 65.5 Ų | 65.5 | 36.7 Ų | 36.7 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63 | -42.1 | 172 | -66.8 | 166.3 | 0 | 0 | 0 | 110.5 | L597 G882 I883 E884 L888 L889 L890 L1176 | L597-I886 HydrophobicContact CD1-CD1 3.93Å; L597-I886 HydrophobicContact CD1-CG1 4.4Å; L597-I886 HydrophobicContact CD2-CD1 4Å; L597-I886 HydrophobicContact CD2-CG1 4.49Å; G882-I886 WeakPolarHBondContact O-CD1 3.35Å; G882-I886 VanDerWaalsContact O-CG1 3.3Å; G882-I886 WeakPolarHBondContact O-CG1 3.42Å; G882-I886 PolarHBondContact O-N 2.92Å; G882-I886 VanDerWaalsContact O-N 3.08Å; I883-I886 PolarHBondContact O-N 3.04Å; E884-I886 PolarHBondContact O-N 3.24Å; I886-L888 VanDerWaalsContact C-N 3.31Å; I886-L888 PolarHBondContact O-N 2.95Å; I886-L889 PolarHBondContact O-N 3.1Å; I886-L889 VanDerWaalsContact O-N 3.16Å; I886-L890 HydrophobicContact CG2-CD1 4.23Å; I886-L890 HydrophobicContact CG2-CG 4.49Å; I886-L890 WeakPolarHBondContact O-CG 3.18Å; I886-L890 PolarHBondContact O-N 3.37Å; I886-L1176 HydrophobicContact CB-CD1 4.4Å; I886-L1176 HydrophobicContact CG2-CD1 3.89Å |
| 887 | G | 82.5 | Confident | 79.4 | Confident | 6.5 Ų | 6.5 | 36.5 Ų | 36.5 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I883 E884 A885 L890 N891 | I883-G887 PolarHBondContact O-N 3.11Å; E884-G887 CarbonylContact O-C 3.56Å; E884-G887 WeakPolarHBondContact O-CA 3.39Å; E884-G887 PolarHBondContact O-N 3.18Å; E884-G887 VanDerWaalsContact O-N 3.14Å; A885-G887 VanDerWaalsContact C-N 3.33Å; G887-L890 PolarHBondContact O-N 2.95Å; G887-N891 WeakPolarHBondContact O-CB 3.48Å; G887-N891 VanDerWaalsContact O-CG 3.25Å; G887-N891 PolarHBondContact O-N 3.15Å; G887-N891 PolarHBondContact O-ND2 3Å; G887-N891 VanDerWaalsContact O-ND2 3.15Å; G887-N891 PolarHBondContact O-OD1 2.99Å |
| 888 | L | 79.4 | Confident | 77.9 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 173.9 | -71.7 | -179 | 0 | 0 | 0 | 112.5 | V520 L784 E884 A885 I886 L890 N891 Q892 | V520-L888 HydrophobicContact CG2-CB 4.27Å; V520-L888 HydrophobicContact CG2-CD1 3.96Å; L784-L888 HydrophobicContact CD1-CD1 3.57Å; L784-L888 HydrophobicContact CD1-CG 4.32Å; E884-L888 WeakPolarHBondContact O-CG 3.42Å; E884-L888 PolarHBondContact O-N 3.05Å; A885-L888 WeakPolarHBondContact O-CB 3.42Å; A885-L888 PolarHBondContact O-N 2.97Å; I886-L888 VanDerWaalsContact C-N 3.31Å; I886-L888 PolarHBondContact O-N 2.95Å; L888-L890 VanDerWaalsContact C-N 3.33Å; L888-L890 PolarHBondContact O-N 2.8Å; L888-N891 PolarHBondContact O-N 3.22Å; L888-Q892 WeakPolarHBondContact O-CG 3.28Å; L888-Q892 PolarHBondContact O-N 3.27Å |
| 889 | L | 81.6 | Confident | 76.1 | Confident | 43.75 Ų | 43.75 | 38.3 Ų | 38.3 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 176 | -69.9 | 169.9 | 0 | 0 | 0 | 111.6 | L443 E517 V520 T522 A885 I886 Q892 C893 | L443-L889 HydrophobicContact CD2-CD2 4.49Å; E517-L889 HydrophobicContact CB-CD2 4.34Å; E517-L889 HydrophobicContact CG-CD2 3.89Å; V520-L889 HydrophobicContact CB-CD2 4.23Å; V520-L889 HydrophobicContact CB-CG 4.44Å; V520-L889 HydrophobicContact CG1-CD1 3.99Å; V520-L889 HydrophobicContact CG1-CD2 4.01Å; V520-L889 HydrophobicContact CG1-CG 3.97Å; T522-L889 WeakPolarHBondContact OG1-CD1 3.48Å; A885-L889 WeakPolarHBondContact O-CG 3.21Å; A885-L889 PolarHBondContact O-N 3.27Å; I886-L889 PolarHBondContact O-N 3.1Å; I886-L889 VanDerWaalsContact O-N 3.16Å; L889-Q892 PolarHBondContact O-N 3.41Å; L889-C893 WeakPolarHBondContact O-CB 3.15Å; L889-C893 PolarHBondContact O-N 2.98Å; L889-C893 PolarHBondContact O-SG 3.22Å |
| 890 | L | 79.7 | Confident | 74.4 | Confident | 52.5 Ų | 52.5 | 39.2 Ų | 39.2 | 28% | 0.275 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -42.4 | 174.1 | -75 | 168.5 | 0 | 0 | 0 | 112.2 | I886 G887 L888 Q892 C893 E894 L1176 A1180 | I886-L890 HydrophobicContact CG2-CD1 4.23Å; I886-L890 HydrophobicContact CG2-CG 4.49Å; I886-L890 WeakPolarHBondContact O-CG 3.18Å; I886-L890 PolarHBondContact O-N 3.37Å; G887-L890 PolarHBondContact O-N 2.95Å; L888-L890 VanDerWaalsContact C-N 3.33Å; L888-L890 PolarHBondContact O-N 2.8Å; L890-Q892 VanDerWaalsContact C-N 3.32Å; L890-Q892 PolarHBondContact O-N 3.13Å; L890-C893 CarbonylContact O-C 3.6Å; L890-C893 WeakPolarHBondContact O-CA 3.29Å; L890-C893 VanDerWaalsContact O-CB 3.28Å; L890-C893 WeakPolarHBondContact O-CB 3.37Å; L890-C893 PolarHBondContact O-N 3.19Å; L890-C893 VanDerWaalsContact O-N 3.14Å; L890-E894 PolarHBondContact O-N 2.85Å; L890-L1176 HydrophobicContact CD1-CD1 3.53Å; L890-L1176 VanDerWaalsContact CD1-CD1 3.47Å; L890-A1180 HydrophobicContact CD1-CB 4.22Å |
| 891 | N | 76.6 | Confident | 73 | Confident | 41.75 Ų | 41.75 | 40.1 Ų | 40.1 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -32.7 | 176.8 | -66.4 | -18.8 | 0 | 0 | 0 | 112 | G887 L888 E894 Q895 S1179 | G887-N891 WeakPolarHBondContact O-CB 3.48Å; G887-N891 VanDerWaalsContact O-CG 3.25Å; G887-N891 PolarHBondContact O-N 3.15Å; G887-N891 PolarHBondContact O-ND2 3Å; G887-N891 VanDerWaalsContact O-ND2 3.15Å; G887-N891 PolarHBondContact O-OD1 2.99Å; L888-N891 PolarHBondContact O-N 3.22Å; N891-E894 WeakPolarHBondContact O-CB 3.41Å; N891-E894 PolarHBondContact O-N 3.13Å; N891-Q895 WeakPolarHBondContact O-CG 3.48Å; N891-Q895 PolarHBondContact O-N 3.09Å; N891-Q895 VanDerWaalsContact O-N 3.14Å; N891-S1179 PolarHBondContact ND2-OG 3.22Å; N891-S1179 WeakPolarHBondContact OD1-CB 3.27Å; N891-S1179 PolarHBondContact OD1-OG 2.94Å |
| 892 | Q | 72.2 | Confident | 71.7 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.7 | -33.9 | 171.4 | -72.7 | -115.7 | -36.8 | 0 | 0 | 112.5 | E517 L888 L889 L890 E894 Q895 N896 | E517-Q892 VanDerWaalsContact OE2-CD 3.26Å; E517-Q892 PolarHBondContact OE2-NE2 3.17Å; E517-Q892 PolarHBondContact OE2-OE1 3.22Å; L888-Q892 WeakPolarHBondContact O-CG 3.28Å; L888-Q892 PolarHBondContact O-N 3.27Å; L889-Q892 PolarHBondContact O-N 3.41Å; L890-Q892 VanDerWaalsContact C-N 3.32Å; L890-Q892 PolarHBondContact O-N 3.13Å; Q892-E894 VanDerWaalsContact C-N 3.3Å; Q892-Q895 PolarHBondContact O-N 3.35Å; Q892-N896 VanDerWaalsContact O-CB 3.25Å; Q892-N896 WeakPolarHBondContact O-CB 3.43Å; Q892-N896 PolarHBondContact O-N 3.17Å; Q892-N896 PolarHBondContact O-ND2 3.34Å; Q892-N896 PolarHBondContact OE1-ND2 3.11Å; Q892-N896 VanDerWaalsContact OE1-ND2 3.11Å |
| 893 | C | 70 | Confident | 70.6 | Confident | 34.25 Ų | 34.25 | 41.9 Ų | 41.9 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 167.2 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | L443 L889 L890 Q895 N896 F897 F898 | L443-C893 WeakPolarHBondContact CD2-SG 3.23Å; L889-C893 WeakPolarHBondContact O-CB 3.15Å; L889-C893 PolarHBondContact O-N 2.98Å; L889-C893 PolarHBondContact O-SG 3.22Å; L890-C893 CarbonylContact O-C 3.6Å; L890-C893 WeakPolarHBondContact O-CA 3.29Å; L890-C893 VanDerWaalsContact O-CB 3.28Å; L890-C893 WeakPolarHBondContact O-CB 3.37Å; L890-C893 PolarHBondContact O-N 3.19Å; L890-C893 VanDerWaalsContact O-N 3.14Å; C893-Q895 VanDerWaalsContact C-N 3.27Å; C893-Q895 PolarHBondContact O-N 3.02Å; C893-N896 PolarHBondContact O-N 3.04Å; C893-F897 HydrophobicContact CB-CB 4.21Å; C893-F897 HydrophobicContact CB-CD2 4.12Å; C893-F897 HydrophobicContact CB-CG 4.46Å; C893-F897 VanDerWaalsContact O-CA 3.31Å; C893-F897 WeakPolarHBondContact O-CA 3.35Å; C893-F897 WeakPolarHBondContact O-CB 3.34Å; C893-F897 PolarHBondContact O-N 3.28Å; C893-F898 PolarHBondContact O-N 3.33Å |
| 894 | E | 66.4 | Low | 69.6 | Low | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.3 | -49.4 | 177.7 | -174.3 | -173.6 | 164.2 | 0 | 0 | 112.3 | L890 N891 Q892 N896 F898 Y899 K1182 N1186 | L890-E894 PolarHBondContact O-N 2.85Å; N891-E894 WeakPolarHBondContact O-CB 3.41Å; N891-E894 PolarHBondContact O-N 3.13Å; Q892-E894 VanDerWaalsContact C-N 3.3Å; E894-N896 PolarHBondContact O-N 3.09Å; E894-F898 HydrophobicContact CB-CD2 4.25Å; E894-F898 HydrophobicContact CB-CE2 4.12Å; E894-F898 HydrophobicContact CB-CZ 4.45Å; E894-F898 HydrophobicContact CG-CD2 3.99Å; E894-F898 HydrophobicContact CG-CE2 4.01Å; E894-F898 WeakPolarHBondContact O-CB 3.31Å; E894-F898 VanDerWaalsContact O-CD2 3.31Å; E894-F898 WeakPolarHBondContact O-CD2 3.46Å; E894-F898 WeakPolarHBondContact O-CG 3.49Å; E894-F898 PolarHBondContact O-N 2.65Å; E894-Y899 WeakPolarHBondContact O-CD2 3.41Å; E894-Y899 WeakPolarHBondContact O-CE2 3.41Å; E894-K1182 WeakPolarHBondContact OE1-CE 3.27Å; E894-K1182 IonicContact OE1-NZ 2.96Å; E894-K1182 PolarHBondContact OE1-NZ 2.92Å; E894-K1182 IonicContact OE2-NZ 2.6Å; E894-K1182 PolarHBondContact OE2-NZ 3.38Å; E894-N1186 HydrophobicContact CG-CB 4.46Å; E894-N1186 WeakPolarHBondContact OE1-CB 3.17Å; E894-N1186 PolarHBondContact OE1-ND2 3.15Å |
| 895 | Q | 61.7 | Low | 68.9 | Low | 113.75 Ų | 113.75 | 41.6 Ų | 41.6 | 53% | 0.532 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.5 | -33.9 | -177 | -68.8 | -180 | -4.7 | 0 | 0 | 114.1 | N891 Q892 C893 Y899 | N891-Q895 WeakPolarHBondContact O-CG 3.48Å; N891-Q895 PolarHBondContact O-N 3.09Å; N891-Q895 VanDerWaalsContact O-N 3.14Å; Q892-Q895 PolarHBondContact O-N 3.35Å; C893-Q895 VanDerWaalsContact C-N 3.27Å; C893-Q895 PolarHBondContact O-N 3.02Å; Q895-Y899 WeakPolarHBondContact O-CD2 3.34Å |
| 896 | N | 58.4 | Low | 68.3 | Low | 70.75 Ų | 70.75 | 42.4 Ų | 42.4 | 38% | 0.378 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -109.8 | -29.5 | -170.5 | -67.1 | -54.7 | 0 | 0 | 0 | 114.6 | K444 Q892 C893 E894 G900 | K444-N896 HydrophobicContact CB-CB 4.25Å; K444-N896 HydrophobicContact CD-CB 4.37Å; K444-N896 HydrophobicContact CG-CB 4.05Å; Q892-N896 VanDerWaalsContact O-CB 3.25Å; Q892-N896 WeakPolarHBondContact O-CB 3.43Å; Q892-N896 PolarHBondContact O-N 3.17Å; Q892-N896 PolarHBondContact O-ND2 3.34Å; Q892-N896 PolarHBondContact OE1-ND2 3.11Å; Q892-N896 VanDerWaalsContact OE1-ND2 3.11Å; C893-N896 PolarHBondContact O-N 3.04Å; E894-N896 PolarHBondContact O-N 3.09Å; N896-G900 PolarHBondContact O-N 3.16Å |
| 897 | F | 58.2 | Low | 67.8 | Low | 61.5 Ų | 61.5 | 40 Ų | 40 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -86.5 | -51.1 | -169.5 | -168.4 | -96.2 | 0 | 0 | 0 | 111.8 | C447 C893 Y899 G900 L901 L902 F1187 | C447-F897 HydrophobicContact CB-CD2 3.74Å; C447-F897 HydrophobicContact CB-CE2 3.83Å; C447-F897 VanDerWaalsContact CB-CE2 3.46Å; C447-F897 VanDerWaalsContact SG-CD2 3.57Å; C447-F897 VanDerWaalsContact SG-CE2 3.52Å; C893-F897 HydrophobicContact CB-CB 4.21Å; C893-F897 HydrophobicContact CB-CD2 4.12Å; C893-F897 HydrophobicContact CB-CG 4.46Å; C893-F897 VanDerWaalsContact O-CA 3.31Å; C893-F897 WeakPolarHBondContact O-CA 3.35Å; C893-F897 WeakPolarHBondContact O-CB 3.34Å; C893-F897 PolarHBondContact O-N 3.28Å; F897-Y899 VanDerWaalsContact C-N 3.31Å; F897-Y899 PolarHBondContact O-N 3.17Å; F897-G900 PolarHBondContact O-N 3.16Å; F897-L901 HydrophobicContact CB-CD1 4.4Å; F897-L901 HydrophobicContact CD1-CB 3.79Å; F897-L901 HydrophobicContact CD1-CD1 3.8Å; F897-L901 HydrophobicContact CD1-CD2 4.13Å; F897-L901 HydrophobicContact CD1-CG 4.14Å; F897-L901 HydrophobicContact CD2-CB 4.15Å; F897-L901 HydrophobicContact CD2-CD1 4.03Å; F897-L901 HydrophobicContact CD2-CG 4.43Å; F897-L901 HydrophobicContact CE1-CB 3.79Å; F897-L901 HydrophobicContact CE1-CD1 3.81Å; F897-L901 HydrophobicContact CE1-CD2 3.67Å; F897-L901 HydrophobicContact CE1-CG 4.12Å; F897-L901 HydrophobicContact CE2-CB 4.37Å; F897-L901 HydrophobicContact CE2-CD1 4.01Å; F897-L901 HydrophobicContact CE2-CD2 4.13Å; F897-L901 HydrophobicContact CG-CB 4.49Å; F897-L901 HydrophobicContact CG-CD1 4.21Å; F897-L901 HydrophobicContact CZ-CD1 3.5Å; F897-L901 VanDerWaalsContact CZ-CD1 3.5Å; F897-L901 HydrophobicContact CZ-CD2 3.68Å; F897-L901 VanDerWaalsContact O-CB 3.3Å; F897-L901 WeakPolarHBondContact O-CB 3.44Å; F897-L901 VanDerWaalsContact O-CD1 3.3Å; F897-L901 WeakPolarHBondContact O-CD1 3.44Å; F897-L901 PolarHBondContact O-N 3.2Å; F897-L901 VanDerWaalsContact O-N 3.1Å; F897-L902 PolarHBondContact O-N 3.44Å; F897-F1187 HydrophobicContact CE1-CD2 4.31Å; F897-F1187 AromaticContact CE1-CE2 3.88Å; F897-F1187 HydrophobicContact CE1-CE2 4.1Å |
| 898 | F | 60.5 | Low | 67.6 | Low | 20.25 Ų | 20.25 | 39.9 Ų | 39.9 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | -173.5 | -57.5 | -35.4 | 0 | 0 | 0 | 112.8 | C893 E894 G900 L901 L902 C1183 N1186 F1187 V1190 | C893-F898 PolarHBondContact O-N 3.33Å; E894-F898 HydrophobicContact CB-CD2 4.25Å; E894-F898 HydrophobicContact CB-CE2 4.12Å; E894-F898 HydrophobicContact CB-CZ 4.45Å; E894-F898 HydrophobicContact CG-CD2 3.99Å; E894-F898 HydrophobicContact CG-CE2 4.01Å; E894-F898 WeakPolarHBondContact O-CB 3.31Å; E894-F898 VanDerWaalsContact O-CD2 3.31Å; E894-F898 WeakPolarHBondContact O-CD2 3.46Å; E894-F898 WeakPolarHBondContact O-CG 3.49Å; E894-F898 PolarHBondContact O-N 2.65Å; F898-G900 VanDerWaalsContact C-N 3.32Å; F898-G900 PolarHBondContact O-N 3.36Å; F898-L901 PolarHBondContact O-N 3.23Å; F898-L901 VanDerWaalsContact O-N 3.14Å; F898-L902 HydrophobicContact CB-CD1 4.17Å; F898-L902 HydrophobicContact CD1-CD1 4.1Å; F898-L902 HydrophobicContact CG-CD1 4.48Å; F898-L902 VanDerWaalsContact O-CB 3.26Å; F898-L902 WeakPolarHBondContact O-CB 3.35Å; F898-L902 VanDerWaalsContact O-CG 3.31Å; F898-L902 WeakPolarHBondContact O-CG 3.16Å; F898-L902 PolarHBondContact O-N 2.99Å; F898-C1183 WeakPolarHBondContact CE2-O 2.98Å; F898-C1183 VanDerWaalsContact CE2-SG 3.52Å; F898-C1183 VanDerWaalsContact CZ-O 3.26Å; F898-C1183 WeakPolarHBondContact CZ-O 3.21Å; F898-C1183 VanDerWaalsContact CZ-SG 3.54Å; F898-N1186 HydrophobicContact CD2-CB 4.38Å; F898-N1186 HydrophobicContact CE2-CB 4Å; F898-F1187 HydrophobicContact CB-CD2 4.45Å; F898-F1187 HydrophobicContact CD1-CB 4.29Å; F898-F1187 AromaticContact CD1-CD2 3.71Å; F898-F1187 HydrophobicContact CD1-CD2 3.71Å; F898-F1187 HydrophobicContact CD1-CE2 4.24Å; F898-F1187 HydrophobicContact CD1-CG 4.32Å; F898-F1187 HydrophobicContact CD2-CD2 4.29Å; F898-F1187 HydrophobicContact CE1-CB 3.56Å; F898-F1187 VanDerWaalsContact CE1-CB 3.49Å; F898-F1187 AromaticContact CE1-CD2 3.38Å; F898-F1187 HydrophobicContact CE1-CD2 3.59Å; F898-F1187 HydrophobicContact CE1-CE2 4.41Å; F898-F1187 AromaticContact CE1-CG 3.85Å; F898-F1187 HydrophobicContact CE1-CG 3.92Å; F898-F1187 HydrophobicContact CE2-CB 4.27Å; F898-F1187 AromaticContact CG-CD2 3.97Å; F898-F1187 HydrophobicContact CG-CD2 3.97Å; F898-F1187 HydrophobicContact CG-CE2 4.48Å; F898-F1187 HydrophobicContact CZ-CB 3.59Å; F898-F1187 HydrophobicContact CZ-CD2 4.3Å; F898-F1187 HydrophobicContact CZ-CG 4.34Å; F898-V1190 HydrophobicContact CB-CB 4.18Å; F898-V1190 HydrophobicContact CB-CG1 4.16Å; F898-V1190 HydrophobicContact CB-CG2 4.14Å; F898-V1190 HydrophobicContact CD2-CG2 4.02Å; F898-V1190 HydrophobicContact CG-CG2 4.21Å |
| 899 | Y | 55.2 | Low | 67.5 | Low | 76.5 Ų | 76.5 | 38 Ų | 38 | 30% | 0.3 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75.4 | -24.1 | -178.5 | -58.7 | -68.7 | 0 | 0 | 0 | 114.3 | E894 Q895 F897 V1190 V1255 A1256 V1259 S1260 I1261 | E894-Y899 WeakPolarHBondContact O-CD2 3.41Å; E894-Y899 WeakPolarHBondContact O-CE2 3.41Å; Q895-Y899 WeakPolarHBondContact O-CD2 3.34Å; F897-Y899 VanDerWaalsContact C-N 3.31Å; F897-Y899 PolarHBondContact O-N 3.17Å; Y899-V1190 HydrophobicContact CD1-CG1 4.14Å; Y899-V1190 HydrophobicContact CE1-CB 4.46Å; Y899-V1190 HydrophobicContact CE1-CG1 3.94Å; Y899-V1190 HydrophobicContact CE1-CG2 3.71Å; Y899-V1255 HydrophobicContact CD1-CG1 3.88Å; Y899-V1255 HydrophobicContact CG-CG1 4.47Å; Y899-A1256 HydrophobicContact CD1-CB 3.92Å; Y899-A1256 HydrophobicContact CE1-CB 4.22Å; Y899-A1256 HydrophobicContact CG-CB 4.31Å; Y899-V1259 HydrophobicContact CD1-CG2 3.41Å; Y899-V1259 VanDerWaalsContact CD1-CG2 3.41Å; Y899-V1259 HydrophobicContact CD2-CG2 4.24Å; Y899-V1259 HydrophobicContact CE1-CB 3.88Å; Y899-V1259 HydrophobicContact CE1-CG1 3.92Å; Y899-V1259 VanDerWaalsContact CE1-CG1 3.48Å; Y899-V1259 HydrophobicContact CE1-CG2 3.96Å; Y899-V1259 HydrophobicContact CE2-CG1 4.02Å; Y899-V1259 HydrophobicContact CE2-CG2 4.35Å; Y899-V1259 HydrophobicContact CG-CG2 3.79Å; Y899-V1259 WeakPolarHBondContact OH-CB 3.44Å; Y899-V1259 WeakPolarHBondContact OH-CG1 3.47Å; Y899-S1260 PolarHBondContact OH-N 2.84Å; Y899-I1261 WeakPolarHBondContact OH-CD1 3.37Å |
| 900 | G | 55.7 | Low | 67.3 | Low | 22.5 Ų | 22.5 | 37.3 Ų | 37.3 | 23% | 0.232 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -99.6 | -29.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | N896 F897 F898 | N896-G900 PolarHBondContact O-N 3.16Å; F897-G900 PolarHBondContact O-N 3.16Å; F898-G900 VanDerWaalsContact C-N 3.32Å; F898-G900 PolarHBondContact O-N 3.36Å |
| 901 | L | 56.1 | Low | 67.3 | Low | 18.75 Ų | 18.75 | 36 Ų | 36 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -100.9 | -27.4 | -173.7 | -85.3 | 129.7 | 0 | 0 | 0 | 114.5 | C447 C448 Q451 F897 F898 T903 N906 | C447-L901 HydrophobicContact CB-CD1 3.7Å; C447-L901 HydrophobicContact CB-CD2 4.06Å; C448-L901 HydrophobicContact CB-CD2 4.16Å; C448-L901 WeakPolarHBondContact SG-CD2 3.06Å; Q451-L901 HydrophobicContact CB-CD2 3.82Å; Q451-L901 VanDerWaalsContact CB-CD2 3.49Å; Q451-L901 HydrophobicContact CG-CD2 3.9Å; F897-L901 HydrophobicContact CB-CD1 4.4Å; F897-L901 HydrophobicContact CD1-CB 3.79Å; F897-L901 HydrophobicContact CD1-CD1 3.8Å; F897-L901 HydrophobicContact CD1-CD2 4.13Å; F897-L901 HydrophobicContact CD1-CG 4.14Å; F897-L901 HydrophobicContact CD2-CB 4.15Å; F897-L901 HydrophobicContact CD2-CD1 4.03Å; F897-L901 HydrophobicContact CD2-CG 4.43Å; F897-L901 HydrophobicContact CE1-CB 3.79Å; F897-L901 HydrophobicContact CE1-CD1 3.81Å; F897-L901 HydrophobicContact CE1-CD2 3.67Å; F897-L901 HydrophobicContact CE1-CG 4.12Å; F897-L901 HydrophobicContact CE2-CB 4.37Å; F897-L901 HydrophobicContact CE2-CD1 4.01Å; F897-L901 HydrophobicContact CE2-CD2 4.13Å; F897-L901 HydrophobicContact CG-CB 4.49Å; F897-L901 HydrophobicContact CG-CD1 4.21Å; F897-L901 HydrophobicContact CZ-CD1 3.5Å; F897-L901 VanDerWaalsContact CZ-CD1 3.5Å; F897-L901 HydrophobicContact CZ-CD2 3.68Å; F897-L901 VanDerWaalsContact O-CB 3.3Å; F897-L901 WeakPolarHBondContact O-CB 3.44Å; F897-L901 VanDerWaalsContact O-CD1 3.3Å; F897-L901 WeakPolarHBondContact O-CD1 3.44Å; F897-L901 PolarHBondContact O-N 3.2Å; F897-L901 VanDerWaalsContact O-N 3.1Å; F898-L901 PolarHBondContact O-N 3.23Å; F898-L901 VanDerWaalsContact O-N 3.14Å; L901-T903 PolarHBondContact O-N 3.28Å; L901-N906 PolarHBondContact O-ND2 3.13Å; L901-N906 VanDerWaalsContact O-ND2 3.1Å |
| 902 | L | 60.3 | Low | 67.6 | Low | 18.5 Ų | 18.5 | 34.9 Ų | 34.9 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | trans | -78.3 | 52.4 | 174.9 | -88.1 | 151.1 | 0 | 0 | 0 | 111.3 | F897 F898 G904 L907 F1187 V1190 E1191 V1194 | F897-L902 PolarHBondContact O-N 3.44Å; F898-L902 HydrophobicContact CB-CD1 4.17Å; F898-L902 HydrophobicContact CD1-CD1 4.1Å; F898-L902 HydrophobicContact CG-CD1 4.48Å; F898-L902 VanDerWaalsContact O-CB 3.26Å; F898-L902 WeakPolarHBondContact O-CB 3.35Å; F898-L902 VanDerWaalsContact O-CG 3.31Å; F898-L902 WeakPolarHBondContact O-CG 3.16Å; F898-L902 PolarHBondContact O-N 2.99Å; L902-G904 PolarHBondContact O-N 3.48Å; L902-G904 VanDerWaalsContact O-N 3.13Å; L902-L907 HydrophobicContact CB-CD1 4.46Å; L902-L907 HydrophobicContact CD2-CB 4.42Å; L902-L907 HydrophobicContact CD2-CD1 3.78Å; L902-L907 HydrophobicContact CD2-CD2 3.55Å; L902-L907 HydrophobicContact CD2-CG 3.83Å; L902-F1187 HydrophobicContact CD1-CD2 4.09Å; L902-F1187 HydrophobicContact CD1-CE2 3.83Å; L902-F1187 HydrophobicContact CD1-CZ 3.96Å; L902-F1187 HydrophobicContact CD2-CE2 3.98Å; L902-F1187 HydrophobicContact CD2-CZ 4.09Å; L902-F1187 HydrophobicContact CG-CE2 4.27Å; L902-V1190 HydrophobicContact CD1-CB 4.1Å; L902-V1190 HydrophobicContact CD1-CG1 3.7Å; L902-V1190 HydrophobicContact CD2-CG1 3.97Å; L902-E1191 HydrophobicContact CD1-CB 4.38Å; L902-E1191 HydrophobicContact CD2-CB 4.23Å; L902-E1191 HydrophobicContact CD2-CG 4.21Å; L902-V1194 HydrophobicContact CB-CG2 4.23Å; L902-V1194 HydrophobicContact CD2-CG2 4.14Å | ||
| 903 | T | 64.1 | Low | 67.8 | Low | 32.5 Ų | 32.5 | 34 Ų | 34 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | trans | -62.4 | 138.1 | 162.5 | 40.9 | 0 | 0 | 0 | 0 | 108.5 | E344 A347 L901 T905 N906 L907 Y1250 | E344-T903 HydrophobicContact CB-CG2 4.34Å; E344-T903 WeakPolarHBondContact OE2-CB 3.34Å; E344-T903 WeakPolarHBondContact OE2-CG2 3.41Å; A347-T903 HydrophobicContact CB-CG2 3.41Å; A347-T903 VanDerWaalsContact CB-CG2 3.41Å; L901-T903 PolarHBondContact O-N 3.28Å; T903-T905 WeakPolarHBondContact CB-OG1 3.42Å; T903-T905 WeakPolarHBondContact CG2-OG1 3.48Å; T903-T905 PolarHBondContact O-N 3Å; T903-T905 VanDerWaalsContact O-N 3.14Å; T903-T905 PolarHBondContact OG1-OG1 2.89Å; T903-N906 WeakPolarHBondContact O-CA 3.39Å; T903-N906 WeakPolarHBondContact O-CB 3.36Å; T903-N906 PolarHBondContact O-N 3.1Å; T903-N906 VanDerWaalsContact O-N 3.13Å; T903-N906 VanDerWaalsContact OG1-CB 3.27Å; T903-N906 WeakPolarHBondContact OG1-CB 3.35Å; T903-N906 VanDerWaalsContact OG1-CG 3.26Å; T903-N906 PolarHBondContact OG1-N 3.33Å; T903-N906 PolarHBondContact OG1-ND2 2.93Å; T903-N906 VanDerWaalsContact OG1-ND2 3.15Å; T903-L907 PolarHBondContact O-N 3.06Å; T903-L907 VanDerWaalsContact O-N 3.1Å; T903-Y1250 HydrophobicContact CG2-CD1 4.45Å; T903-Y1250 HydrophobicContact CG2-CE1 3.75Å | ||
| 904 | G | 67.5 | Low | 68.1 | Low | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.3 | -34.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E344 L902 N906 L907 L908 L1198 Y1250 | E344-G904 PolarHBondContact OE1-N 3.49Å; L902-G904 PolarHBondContact O-N 3.48Å; L902-G904 VanDerWaalsContact O-N 3.13Å; G904-N906 PolarHBondContact O-N 2.85Å; G904-L907 WeakPolarHBondContact O-CB 3.39Å; G904-L907 PolarHBondContact O-N 2.94Å; G904-L908 WeakPolarHBondContact O-CB 3.43Å; G904-L908 WeakPolarHBondContact O-CD1 3.41Å; G904-L908 VanDerWaalsContact O-CG 3.23Å; G904-L908 WeakPolarHBondContact O-CG 3.2Å; G904-L908 PolarHBondContact O-N 3.2Å; G904-L908 VanDerWaalsContact O-N 3.08Å; G904-L1198 VanDerWaalsContact CA-CD1 3.49Å; G904-Y1250 WeakPolarHBondContact CA-OH 3.32Å; G904-Y1250 PolarHBondContact N-OH 2.82Å |
| 905 | T | 69.5 | Low | 68.8 | Low | 25.25 Ų | 25.25 | 36.5 Ų | 36.5 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 173.4 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | L343 E344 T903 L907 L908 V909 M1239 C1242 Y1250 | L343-T905 HydrophobicContact CB-CG2 3.34Å; L343-T905 HydrophobicContact CD1-CG2 3.81Å; L343-T905 HydrophobicContact CG-CG2 4.19Å; E344-T905 VanDerWaalsContact CD-OG1 3.29Å; E344-T905 HydrophobicContact CG-CG2 4.02Å; E344-T905 WeakPolarHBondContact OE1-CB 3.35Å; E344-T905 WeakPolarHBondContact OE1-CG2 3.39Å; E344-T905 PolarHBondContact OE1-N 3.28Å; E344-T905 PolarHBondContact OE1-OG1 3.38Å; T903-T905 WeakPolarHBondContact CB-OG1 3.42Å; T903-T905 WeakPolarHBondContact CG2-OG1 3.48Å; T903-T905 PolarHBondContact O-N 3Å; T903-T905 VanDerWaalsContact O-N 3.14Å; T903-T905 PolarHBondContact OG1-OG1 2.89Å; T905-L907 VanDerWaalsContact C-N 3.34Å; T905-L907 PolarHBondContact O-N 3.1Å; T905-L908 PolarHBondContact O-N 3.01Å; T905-V909 WeakPolarHBondContact O-CB 3.36Å; T905-V909 VanDerWaalsContact O-CG2 3.29Å; T905-V909 WeakPolarHBondContact O-CG2 3.36Å; T905-V909 PolarHBondContact O-N 3.09Å; T905-M1239 HydrophobicContact CG2-CE 4.37Å; T905-M1239 HydrophobicContact CG2-SD 4.22Å; T905-C1242 HydrophobicContact CG2-CB 3.81Å; T905-Y1250 PolarHBondContact N-OH 3.14Å; T905-Y1250 PolarHBondContact OG1-OH 3.15Å |
| 906 | N | 72.2 | Confident | 69.5 | Low | 27.75 Ų | 27.75 | 31.6 Ų | 31.6 | 15% | 0.148 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 179.6 | -72.3 | -12.3 | 0 | 0 | 0 | 111.4 | N455 L901 T903 G904 L908 V909 G910 | N455-N906 PolarHBondContact ND2-OD1 3.1Å; L901-N906 PolarHBondContact O-ND2 3.13Å; L901-N906 VanDerWaalsContact O-ND2 3.1Å; T903-N906 WeakPolarHBondContact O-CA 3.39Å; T903-N906 WeakPolarHBondContact O-CB 3.36Å; T903-N906 PolarHBondContact O-N 3.1Å; T903-N906 VanDerWaalsContact O-N 3.13Å; T903-N906 VanDerWaalsContact OG1-CB 3.27Å; T903-N906 WeakPolarHBondContact OG1-CB 3.35Å; T903-N906 VanDerWaalsContact OG1-CG 3.26Å; T903-N906 PolarHBondContact OG1-N 3.33Å; T903-N906 PolarHBondContact OG1-ND2 2.93Å; T903-N906 VanDerWaalsContact OG1-ND2 3.15Å; G904-N906 PolarHBondContact O-N 2.85Å; N906-L908 PolarHBondContact O-N 2.75Å; N906-V909 PolarHBondContact O-N 3.13Å; N906-G910 PolarHBondContact O-N 2.94Å |
| 907 | L | 75 | Confident | 70.1 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 175.3 | -151.4 | 89.5 | 0 | 0 | 0 | 111.9 | L902 T903 G904 T905 G910 Q911 E1191 V1194 L1195 | L902-L907 HydrophobicContact CB-CD1 4.46Å; L902-L907 HydrophobicContact CD2-CB 4.42Å; L902-L907 HydrophobicContact CD2-CD1 3.78Å; L902-L907 HydrophobicContact CD2-CD2 3.55Å; L902-L907 HydrophobicContact CD2-CG 3.83Å; T903-L907 PolarHBondContact O-N 3.06Å; T903-L907 VanDerWaalsContact O-N 3.1Å; G904-L907 WeakPolarHBondContact O-CB 3.39Å; G904-L907 PolarHBondContact O-N 2.94Å; T905-L907 VanDerWaalsContact C-N 3.34Å; T905-L907 PolarHBondContact O-N 3.1Å; L907-G910 PolarHBondContact O-N 2.85Å; L907-Q911 HydrophobicContact CD1-CG 4.26Å; L907-Q911 WeakPolarHBondContact O-CB 3.28Å; L907-Q911 WeakPolarHBondContact O-CG 3.27Å; L907-Q911 PolarHBondContact O-N 3.21Å; L907-E1191 HydrophobicContact CD1-CB 4.09Å; L907-E1191 HydrophobicContact CD1-CG 3.76Å; L907-E1191 VanDerWaalsContact CD1-CG 3.44Å; L907-E1191 VanDerWaalsContact CD1-OE1 3.32Å; L907-E1191 WeakPolarHBondContact CD1-OE1 3.27Å; L907-E1191 HydrophobicContact CD2-CG 3.99Å; L907-E1191 VanDerWaalsContact CD2-OE1 3.26Å; L907-E1191 WeakPolarHBondContact CD2-OE1 3.25Å; L907-E1191 HydrophobicContact CG-CG 4.41Å; L907-E1191 WeakPolarHBondContact CG-OE1 3.2Å; L907-V1194 HydrophobicContact CD1-CB 3.99Å; L907-V1194 HydrophobicContact CD1-CG1 3.71Å; L907-V1194 HydrophobicContact CD2-CB 4.36Å; L907-V1194 HydrophobicContact CD2-CG1 4.18Å; L907-L1195 HydrophobicContact CD2-CB 4.19Å |
| 908 | L | 78.2 | Confident | 70.7 | Confident | 3.5 Ų | 3.5 | 33 Ų | 33 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.2 | -40.7 | -179.8 | -68.1 | 168.9 | 0 | 0 | 0 | 112 | G904 T905 N906 Q911 F912 L1198 T1235 L1238 M1239 | G904-L908 WeakPolarHBondContact O-CB 3.43Å; G904-L908 WeakPolarHBondContact O-CD1 3.41Å; G904-L908 VanDerWaalsContact O-CG 3.23Å; G904-L908 WeakPolarHBondContact O-CG 3.2Å; G904-L908 PolarHBondContact O-N 3.2Å; G904-L908 VanDerWaalsContact O-N 3.08Å; T905-L908 PolarHBondContact O-N 3.01Å; N906-L908 PolarHBondContact O-N 2.75Å; L908-Q911 PolarHBondContact O-N 2.98Å; L908-F912 WeakPolarHBondContact O-CB 3.22Å; L908-F912 PolarHBondContact O-N 3.25Å; L908-L1198 HydrophobicContact CD1-CD1 4.15Å; L908-L1198 HydrophobicContact CG-CD1 4.43Å; L908-T1235 HydrophobicContact CB-CG2 3.9Å; L908-T1235 HydrophobicContact CD2-CG2 3.96Å; L908-T1235 HydrophobicContact CG-CG2 4.46Å; L908-T1235 WeakPolarHBondContact O-CG2 3.44Å; L908-L1238 HydrophobicContact CD1-CB 3.6Å; L908-L1238 HydrophobicContact CD2-CB 3.83Å; L908-L1238 HydrophobicContact CD2-CD1 3.76Å; L908-L1238 HydrophobicContact CD2-CG 4.46Å; L908-L1238 HydrophobicContact CG-CB 4.4Å; L908-M1239 HydrophobicContact CB-CG 3.64Å; L908-M1239 VanDerWaalsContact CB-CG 3.49Å; L908-M1239 HydrophobicContact CB-SD 3.89Å; L908-M1239 VanDerWaalsContact CB-SD 3.54Å; L908-M1239 HydrophobicContact CD1-CG 3.97Å; L908-M1239 HydrophobicContact CD1-SD 3.93Å; L908-M1239 HydrophobicContact CG-CG 4.33Å; L908-M1239 HydrophobicContact CG-SD 4.4Å |
| 909 | V | 79 | Confident | 71.2 | Confident | 23.25 Ų | 23.25 | 38.7 Ų | 38.7 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 172.8 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | F181 T341 L459 T905 N906 Q911 F912 V913 M1239 | F181-V909 HydrophobicContact CD1-CG2 3.78Å; F181-V909 HydrophobicContact CE1-CG2 3.73Å; T341-V909 HydrophobicContact CG2-CG2 3.74Å; L459-V909 HydrophobicContact CD1-CG1 4.06Å; L459-V909 HydrophobicContact CD2-CG1 4.18Å; L459-V909 HydrophobicContact CG-CG1 4.15Å; T905-V909 WeakPolarHBondContact O-CB 3.36Å; T905-V909 VanDerWaalsContact O-CG2 3.29Å; T905-V909 WeakPolarHBondContact O-CG2 3.36Å; T905-V909 PolarHBondContact O-N 3.09Å; N906-V909 PolarHBondContact O-N 3.13Å; V909-Q911 VanDerWaalsContact C-N 3.32Å; V909-Q911 PolarHBondContact O-N 3.33Å; V909-F912 CarbonylContact O-C 3.6Å; V909-F912 WeakPolarHBondContact O-CB 3.29Å; V909-F912 PolarHBondContact O-N 2.86Å; V909-F912 VanDerWaalsContact O-N 3.09Å; V909-V913 HydrophobicContact CG1-CG2 4.24Å; V909-V913 WeakPolarHBondContact O-CB 3.18Å; V909-V913 VanDerWaalsContact O-CG2 3.29Å; V909-V913 WeakPolarHBondContact O-CG2 3.32Å; V909-V913 PolarHBondContact O-N 2.86Å; V909-M1239 HydrophobicContact CG2-CE 3.69Å; V909-M1239 HydrophobicContact CG2-SD 4.01Å |
| 910 | G | 77.6 | Confident | 72.3 | Confident | 28.75 Ų | 28.75 | 35.1 Ų | 35.1 | 30% | 0.296 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.1 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N906 L907 F912 V913 K914 | N906-G910 PolarHBondContact O-N 2.94Å; L907-G910 PolarHBondContact O-N 2.85Å; G910-F912 VanDerWaalsContact C-N 3.3Å; G910-F912 PolarHBondContact O-N 2.81Å; G910-V913 PolarHBondContact O-N 3.1Å; G910-K914 WeakPolarHBondContact O-CB 3.37Å; G910-K914 VanDerWaalsContact O-CG 3.31Å; G910-K914 WeakPolarHBondContact O-CG 3.41Å; G910-K914 PolarHBondContact O-N 2.99Å; G910-K914 VanDerWaalsContact O-N 3.08Å |
| 911 | Q | 78.6 | Confident | 72.9 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.1 | -150.3 | 49.6 | 27.7 | 0 | 0 | 112.3 | L907 L908 V909 V913 K914 C915 E1191 T1235 F1446 E1449 | L907-Q911 HydrophobicContact CD1-CG 4.26Å; L907-Q911 WeakPolarHBondContact O-CB 3.28Å; L907-Q911 WeakPolarHBondContact O-CG 3.27Å; L907-Q911 PolarHBondContact O-N 3.21Å; L908-Q911 PolarHBondContact O-N 2.98Å; V909-Q911 VanDerWaalsContact C-N 3.32Å; V909-Q911 PolarHBondContact O-N 3.33Å; Q911-V913 PolarHBondContact O-N 3.06Å; Q911-K914 PolarHBondContact O-N 3.27Å; Q911-C915 VanDerWaalsContact O-CB 3.3Å; Q911-C915 WeakPolarHBondContact O-CB 3.27Å; Q911-C915 PolarHBondContact O-N 3.09Å; Q911-E1191 PolarHBondContact NE2-OE1 3.45Å; Q911-T1235 HydrophobicContact CB-CG2 4.32Å; Q911-T1235 HydrophobicContact CG-CG2 4.42Å; Q911-F1446 HydrophobicContact CG-CD2 4.14Å; Q911-F1446 HydrophobicContact CG-CE2 4.29Å; Q911-E1449 PolarHBondContact NE2-OE2 2.8Å |
| 912 | F | 82.1 | Confident | 73.6 | Confident | 18.25 Ų | 18.25 | 36 Ų | 36 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 177.8 | -177.5 | -99.8 | 0 | 0 | 0 | 111.7 | T177 F181 E464 L908 V909 G910 K914 C915 S916 L1226 C1232 T1235 L1236 M1239 | T177-F912 HydrophobicContact CG2-CZ 4.49Å; F181-F912 HydrophobicContact CE2-CD1 4.27Å; F181-F912 HydrophobicContact CE2-CE1 4.14Å; F181-F912 HydrophobicContact CZ-CB 4.49Å; F181-F912 AromaticContact CZ-CD1 3.7Å; F181-F912 HydrophobicContact CZ-CD1 3.7Å; F181-F912 AromaticContact CZ-CE1 4Å; F181-F912 HydrophobicContact CZ-CE1 4Å; F181-F912 AromaticContact CZ-CG 4Å; F181-F912 HydrophobicContact CZ-CG 4Å; E464-F912 HydrophobicContact CG-CE1 4.43Å; E464-F912 HydrophobicContact CG-CZ 4.16Å; L908-F912 WeakPolarHBondContact O-CB 3.22Å; L908-F912 PolarHBondContact O-N 3.25Å; V909-F912 CarbonylContact O-C 3.6Å; V909-F912 WeakPolarHBondContact O-CB 3.29Å; V909-F912 PolarHBondContact O-N 2.86Å; V909-F912 VanDerWaalsContact O-N 3.09Å; G910-F912 VanDerWaalsContact C-N 3.3Å; G910-F912 PolarHBondContact O-N 2.81Å; F912-K914 PolarHBondContact O-N 3Å; F912-C915 PolarHBondContact O-N 3.23Å; F912-S916 VanDerWaalsContact O-CB 3.31Å; F912-S916 WeakPolarHBondContact O-CB 3.24Å; F912-S916 PolarHBondContact O-N 3.16Å; F912-L1226 HydrophobicContact CE2-CD1 3.8Å; F912-L1226 HydrophobicContact CZ-CD1 4.24Å; F912-C1232 HydrophobicContact CD2-CB 4.42Å; F912-C1232 HydrophobicContact CE2-CB 4.39Å; F912-T1235 HydrophobicContact CB-CG2 4.01Å; F912-L1236 HydrophobicContact CD2-CD2 4.3Å; F912-L1236 HydrophobicContact CD2-CG 4.31Å; F912-L1236 HydrophobicContact CE2-CD1 4.25Å; F912-L1236 HydrophobicContact CE2-CD2 4.06Å; F912-L1236 HydrophobicContact CE2-CG 4.13Å; F912-M1239 HydrophobicContact CB-CE 4.46Å; F912-M1239 HydrophobicContact CG-CE 4.42Å |
| 913 | V | 76.6 | Confident | 73.9 | Confident | 44.5 Ų | 44.5 | 36.6 Ų | 36.6 | 27% | 0.27 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 178.8 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | T458 V909 G910 Q911 C915 S916 G917 | T458-V913 HydrophobicContact CG2-CB 3.7Å; T458-V913 HydrophobicContact CG2-CG1 2.99Å; T458-V913 HydrophobicContact CG2-CG2 3.3Å; V909-V913 HydrophobicContact CG1-CG2 4.24Å; V909-V913 WeakPolarHBondContact O-CB 3.18Å; V909-V913 VanDerWaalsContact O-CG2 3.29Å; V909-V913 WeakPolarHBondContact O-CG2 3.32Å; V909-V913 PolarHBondContact O-N 2.86Å; G910-V913 PolarHBondContact O-N 3.1Å; Q911-V913 PolarHBondContact O-N 3.06Å; V913-C915 VanDerWaalsContact C-N 3.27Å; V913-C915 PolarHBondContact O-N 3.02Å; V913-C915 VanDerWaalsContact O-N 3.15Å; V913-S916 CarbonylContact O-C 3.55Å; V913-S916 WeakPolarHBondContact O-CB 3.35Å; V913-S916 PolarHBondContact O-N 2.9Å; V913-S916 VanDerWaalsContact O-N 3.12Å; V913-G917 PolarHBondContact O-N 3.22Å |
| 914 | K | 77.6 | Confident | 73.9 | Confident | 109 Ų | 109 | 36.7 Ų | 36.7 | 47% | 0.474 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 177.7 | -73.6 | 171.8 | 174.4 | -171.4 | 0 | 111.8 | G910 Q911 F912 S916 G917 R918 E1449 | G910-K914 WeakPolarHBondContact O-CB 3.37Å; G910-K914 VanDerWaalsContact O-CG 3.31Å; G910-K914 WeakPolarHBondContact O-CG 3.41Å; G910-K914 PolarHBondContact O-N 2.99Å; G910-K914 VanDerWaalsContact O-N 3.08Å; Q911-K914 PolarHBondContact O-N 3.27Å; F912-K914 PolarHBondContact O-N 3Å; K914-S916 VanDerWaalsContact C-N 3.28Å; K914-S916 PolarHBondContact O-N 3.12Å; K914-G917 PolarHBondContact O-N 3.37Å; K914-G917 VanDerWaalsContact O-N 3.16Å; K914-R918 WeakPolarHBondContact O-CG 3.44Å; K914-R918 PolarHBondContact O-N 3.39Å; K914-R918 VanDerWaalsContact O-N 3.13Å; K914-E1449 VanDerWaalsContact CB-OE1 3.27Å; K914-E1449 WeakPolarHBondContact CB-OE1 3.3Å; K914-E1449 VanDerWaalsContact CD-OE2 3.24Å; K914-E1449 WeakPolarHBondContact CD-OE2 3.26Å; K914-E1449 VanDerWaalsContact CE-OE2 3.23Å; K914-E1449 WeakPolarHBondContact CE-OE2 3.37Å; K914-E1449 IonicContact NZ-OE2 3.31Å; K914-E1449 PolarHBondContact NZ-OE2 2.92Å |
| 915 | C | 79.5 | Confident | 73.6 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.054 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.5 | -40.1 | 176.6 | -167 | 0 | 0 | 0 | 0 | 112.5 | Q911 F912 V913 G917 R918 R919 H920 C1229 C1232 V1445 | Q911-C915 VanDerWaalsContact O-CB 3.3Å; Q911-C915 WeakPolarHBondContact O-CB 3.27Å; Q911-C915 PolarHBondContact O-N 3.09Å; F912-C915 PolarHBondContact O-N 3.23Å; V913-C915 VanDerWaalsContact C-N 3.27Å; V913-C915 PolarHBondContact O-N 3.02Å; V913-C915 VanDerWaalsContact O-N 3.15Å; C915-G917 VanDerWaalsContact C-N 3.35Å; C915-G917 PolarHBondContact O-N 3.45Å; C915-R918 CarbonylContact O-C 3.56Å; C915-R918 WeakPolarHBondContact O-CA 3.39Å; C915-R918 WeakPolarHBondContact O-CB 3.35Å; C915-R918 PolarHBondContact O-N 3.19Å; C915-R918 VanDerWaalsContact O-N 3.07Å; C915-R919 PolarHBondContact O-N 3.09Å; C915-H920 PolarHBondContact O-N 3.08Å; C915-H920 VanDerWaalsContact O-N 3.11Å; C915-H920 PolarHBondContact O-ND1 3.33Å; C915-H920 PolarHBondContact SG-ND1 3.02Å; C915-C1229 VanDerWaalsContact SG-SG 3.66Å; C915-C1232 VanDerWaalsContact CB-SG 3.51Å; C915-C1232 WeakPolarHBondContact CB-SG 3.43Å; C915-C1232 WeakPolarHBondContact SG-CB 3.48Å; C915-C1232 CovalentContact SG-SG 2.05Å; C915-C1232 PolarHBondContact SG-SG 3.14Å; C915-V1445 HydrophobicContact CB-CG1 4.31Å |
| 916 | S | 76.7 | Confident | 73.1 | Confident | 11.25 Ų | 11.25 | 38.5 Ų | 38.5 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | N462 E464 F912 V913 K914 R918 R919 | N462-S916 PolarHBondContact OD1-OG 3.16Å; E464-S916 WeakPolarHBondContact CG-OG 3.38Å; E464-S916 WeakPolarHBondContact OE1-CB 3.34Å; E464-S916 PolarHBondContact OE1-OG 3.16Å; F912-S916 VanDerWaalsContact O-CB 3.31Å; F912-S916 WeakPolarHBondContact O-CB 3.24Å; F912-S916 PolarHBondContact O-N 3.16Å; V913-S916 CarbonylContact O-C 3.55Å; V913-S916 WeakPolarHBondContact O-CB 3.35Å; V913-S916 PolarHBondContact O-N 2.9Å; V913-S916 VanDerWaalsContact O-N 3.12Å; K914-S916 VanDerWaalsContact C-N 3.28Å; K914-S916 PolarHBondContact O-N 3.12Å; S916-R918 PolarHBondContact O-N 3.21Å; S916-R918 VanDerWaalsContact O-N 3.13Å; S916-R919 VanDerWaalsContact O-CA 3.3Å; S916-R919 WeakPolarHBondContact O-CA 3.36Å; S916-R919 PolarHBondContact O-N 3.34Å |
| 917 | G | 71.4 | Confident | 72.3 | Confident | 65.25 Ų | 65.25 | 44 Ų | 44 | 67% | 0.673 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.8 | -28.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V913 K914 C915 R919 | V913-G917 PolarHBondContact O-N 3.22Å; K914-G917 PolarHBondContact O-N 3.37Å; K914-G917 VanDerWaalsContact O-N 3.16Å; C915-G917 VanDerWaalsContact C-N 3.35Å; C915-G917 PolarHBondContact O-N 3.45Å; G917-R919 VanDerWaalsContact C-N 3.32Å; G917-R919 PolarHBondContact O-N 3.16Å; G917-R919 VanDerWaalsContact O-N 3.07Å |
| 918 | R | 70.5 | Confident | 71.3 | Confident | 96.25 Ų | 96.25 | 47 Ų | 47 | 36% | 0.363 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 10.9 | 169.8 | -59.8 | 178.8 | -171.9 | -165.6 | 6.3 | 113.2 | K914 C915 S916 H920 T921 F931 E1448 E1449 | K914-R918 WeakPolarHBondContact O-CG 3.44Å; K914-R918 PolarHBondContact O-N 3.39Å; K914-R918 VanDerWaalsContact O-N 3.13Å; C915-R918 CarbonylContact O-C 3.56Å; C915-R918 WeakPolarHBondContact O-CA 3.39Å; C915-R918 WeakPolarHBondContact O-CB 3.35Å; C915-R918 PolarHBondContact O-N 3.19Å; C915-R918 VanDerWaalsContact O-N 3.07Å; S916-R918 PolarHBondContact O-N 3.21Å; S916-R918 VanDerWaalsContact O-N 3.13Å; R918-H920 PolarHBondContact O-N 3.19Å; R918-H920 VanDerWaalsContact O-N 3.1Å; R918-T921 WeakPolarHBondContact O-CB 3.26Å; R918-T921 VanDerWaalsContact O-CG2 3.3Å; R918-T921 WeakPolarHBondContact O-CG2 3.37Å; R918-T921 PolarHBondContact O-N 2.91Å; R918-T921 VanDerWaalsContact O-N 3.12Å; R918-T921 PolarHBondContact O-OG1 3.29Å; R918-F931 HydrophobicContact CG-CE1 4.42Å; R918-F931 HydrophobicContact CG-CZ 4.29Å; R918-E1448 IonicContact CZ-OE2 3.43Å; R918-E1448 IonicContact NH1-OE2 3.75Å; R918-E1448 PolarHBondContact NH1-OE2 2.89Å; R918-E1448 IonicContact NH2-OE2 2.73Å; R918-E1449 IonicContact CZ-OE1 3.3Å; R918-E1449 VanDerWaalsContact CZ-OE1 3.29Å; R918-E1449 IonicContact NE-OE1 3.31Å; R918-E1449 PolarHBondContact NE-OE1 3.2Å; R918-E1449 VanDerWaalsContact NE-OE1 3.08Å; R918-E1449 IonicContact NH2-OE1 3Å; R918-E1449 PolarHBondContact NH2-OE1 3.26Å |
| 919 | R | 72.3 | Confident | 70 | Confident | 140.5 Ų | 140.5 | 48 Ų | 48 | 53% | 0.53 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 29 | -177.2 | -56 | -179.2 | -177.1 | 179.3 | 0.3 | 113.9 | C915 S916 G917 T921 N1222 L1225 | C915-R919 PolarHBondContact O-N 3.09Å; S916-R919 VanDerWaalsContact O-CA 3.3Å; S916-R919 WeakPolarHBondContact O-CA 3.36Å; S916-R919 PolarHBondContact O-N 3.34Å; G917-R919 VanDerWaalsContact C-N 3.32Å; G917-R919 PolarHBondContact O-N 3.16Å; G917-R919 VanDerWaalsContact O-N 3.07Å; R919-T921 HydrophobicContact CB-CG2 4.36Å; R919-T921 PolarHBondContact O-N 3.05Å; R919-T921 VanDerWaalsContact O-N 3.13Å; R919-N1222 PolarHBondContact O-ND2 2.91Å; R919-N1222 VanDerWaalsContact O-ND2 3.15Å; R919-L1225 WeakPolarHBondContact O-CD1 3.41Å |
| 920 | H | 77.4 | Confident | 68.6 | Low | 0.75 Ų | 0.75 | 53.4 Ų | 53.4 | 0% | 0.003 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 22.8 | -173.6 | -46.4 | -66.9 | 0 | 0 | 0 | 115.1 | E464 C915 R918 Q922 L1225 L1226 C1229 C1232 | E464-H920 IonicContact OE1-CD2 3.4Å; E464-H920 PolarHBondContact OE1-CD2 2.84Å; E464-H920 IonicContact OE1-CE1 2.9Å; E464-H920 IonicContact OE1-NE2 3.2Å; E464-H920 PolarHBondContact OE1-NE2 2.9Å; E464-H920 IonicContact OE2-CD2 3.41Å; E464-H920 IonicContact OE2-CE1 3.54Å; E464-H920 IonicContact OE2-NE2 3.57Å; E464-H920 PolarHBondContact OE2-NE2 3.23Å; C915-H920 PolarHBondContact O-N 3.08Å; C915-H920 VanDerWaalsContact O-N 3.11Å; C915-H920 PolarHBondContact O-ND1 3.33Å; C915-H920 PolarHBondContact SG-ND1 3.02Å; R918-H920 PolarHBondContact O-N 3.19Å; R918-H920 VanDerWaalsContact O-N 3.1Å; H920-Q922 PolarHBondContact O-N 3.16Å; H920-L1225 HydrophobicContact CB-CB 4.12Å; H920-L1226 WeakPolarHBondContact NE2-CD1 3.45Å; H920-C1229 HydrophobicContact CB-CB 4.03Å; H920-C1232 PolarHBondContact CE1-SG 3.11Å; H920-C1232 PolarHBondContact ND1-SG 3.27Å |
| 921 | T | 68.5 | Low | 67.2 | Low | 43.25 Ų | 43.25 | 55.1 Ų | 55.1 | 27% | 0.265 | 27% | 0.27 | S | S | . | . | trans | -66.5 | 124.7 | 175 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | R918 R919 D926 | R918-T921 WeakPolarHBondContact O-CB 3.26Å; R918-T921 VanDerWaalsContact O-CG2 3.3Å; R918-T921 WeakPolarHBondContact O-CG2 3.37Å; R918-T921 PolarHBondContact O-N 2.91Å; R918-T921 VanDerWaalsContact O-N 3.12Å; R918-T921 PolarHBondContact O-OG1 3.29Å; R919-T921 HydrophobicContact CB-CG2 4.36Å; R919-T921 PolarHBondContact O-N 3.05Å; R919-T921 VanDerWaalsContact O-N 3.13Å; T921-D926 HydrophobicContact CG2-CB 4.45Å | ||
| 922 | Q | 71.2 | Confident | 65.6 | Low | 16.5 Ų | 16.5 | 55.8 Ų | 55.8 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | trans | -134 | 158 | 179.5 | 43.2 | 175.1 | 12.2 | 0 | 0 | 110.5 | H920 L924 V925 D926 Q1228 C1229 S1230 V1445 | H920-Q922 PolarHBondContact O-N 3.16Å; Q922-L924 PolarHBondContact O-N 3.01Å; Q922-L924 VanDerWaalsContact O-N 3.1Å; Q922-V925 HydrophobicContact CB-CG2 4.15Å; Q922-V925 HydrophobicContact CG-CB 3.76Å; Q922-V925 HydrophobicContact CG-CG2 3.4Å; Q922-V925 VanDerWaalsContact CG-CG2 3.44Å; Q922-V925 PolarHBondContact O-N 2.99Å; Q922-D926 PolarHBondContact O-N 3.01Å; Q922-D926 VanDerWaalsContact O-N 3.11Å; Q922-Q1228 PolarHBondContact NE2-O 3.14Å; Q922-Q1228 VanDerWaalsContact NE2-O 3.14Å; Q922-C1229 PolarHBondContact OE1-SG 3.15Å; Q922-C1229 VanDerWaalsContact OE1-SG 3.35Å; Q922-S1230 PolarHBondContact OE1-OG 2.9Å; Q922-V1445 HydrophobicContact CB-CG2 3.96Å | ||
| 923 | L | 66.2 | Low | 63.8 | Low | 32 Ų | 32 | 61.3 Ų | 61.3 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.8 | -177.3 | -68.9 | 173.9 | 0 | 0 | 0 | 114.9 | V925 V929 F931 K1082 W1083 Y1086 F1303 V1441 | L923-V925 VanDerWaalsContact C-N 3.34Å; L923-V929 HydrophobicContact CD2-CB 4Å; L923-V929 HydrophobicContact CD2-CG1 3.58Å; L923-V929 HydrophobicContact CD2-CG2 4.13Å; L923-F931 HydrophobicContact CD2-CE2 3.57Å; L923-F931 HydrophobicContact CD2-CZ 4.07Å; L923-K1082 VanDerWaalsContact CD2-C 3.45Å; L923-K1082 HydrophobicContact CD2-CB 3.86Å; L923-K1082 VanDerWaalsContact CD2-CB 3.44Å; L923-K1082 HydrophobicContact CD2-CG 4.36Å; L923-K1082 HydrophobicContact CG-CB 4.41Å; L923-W1083 HydrophobicContact CD2-CB 4.24Å; L923-W1083 HydrophobicContact CD2-CE3 4.46Å; L923-W1083 VanDerWaalsContact CD2-N 3.29Å; L923-W1083 WeakPolarHBondContact O-CH2 3.43Å; L923-W1083 WeakPolarHBondContact O-CZ3 3.36Å; L923-Y1086 HydrophobicContact CD1-CD2 3.85Å; L923-Y1086 HydrophobicContact CD1-CE2 4.08Å; L923-Y1086 HydrophobicContact CD1-CG 4.18Å; L923-Y1086 HydrophobicContact CD2-CD2 4.36Å; L923-F1303 HydrophobicContact CB-CE2 4.44Å; L923-F1303 HydrophobicContact CB-CZ 4.3Å; L923-F1303 WeakPolarHBondContact O-CE2 3.41Å; L923-V1441 HydrophobicContact CB-CG1 4.22Å |
| 924 | L | 64.1 | Low | 62.5 | Low | 34.5 Ų | 34.5 | 62.9 Ų | 62.9 | 18% | 0.181 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -7 | 178.6 | -66.1 | 173.3 | 0 | 0 | 0 | 113.8 | Q922 L1295 A1300 F1303 I1437 V1441 Y1442 | Q922-L924 PolarHBondContact O-N 3.01Å; Q922-L924 VanDerWaalsContact O-N 3.1Å; L924-L1295 HydrophobicContact CD1-CD2 4.11Å; L924-A1300 HydrophobicContact CD2-CB 4.43Å; L924-F1303 HydrophobicContact CD2-CD2 3.94Å; L924-F1303 HydrophobicContact CD2-CE2 4.28Å; L924-I1437 HydrophobicContact CD1-CD1 4.37Å; L924-I1437 HydrophobicContact CD1-CG2 4.4Å; L924-I1437 HydrophobicContact CD2-CD1 4.4Å; L924-I1437 HydrophobicContact CD2-CG2 4.26Å; L924-V1441 HydrophobicContact CD1-CG1 4.38Å; L924-V1441 HydrophobicContact CD2-CG1 3.78Å; L924-V1441 HydrophobicContact CG-CG1 3.9Å; L924-Y1442 HydrophobicContact CD1-CD2 4.15Å |
| 925 | V | 61.6 | Low | 61.1 | Low | 25.5 Ų | 25.5 | 61.1 Ų | 61.1 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -39.7 | -171.5 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | Q922 L923 L1225 Q1228 L1299 | Q922-V925 HydrophobicContact CB-CG2 4.15Å; Q922-V925 HydrophobicContact CG-CB 3.76Å; Q922-V925 HydrophobicContact CG-CG2 3.4Å; Q922-V925 VanDerWaalsContact CG-CG2 3.44Å; Q922-V925 PolarHBondContact O-N 2.99Å; L923-V925 VanDerWaalsContact C-N 3.34Å; V925-L1225 HydrophobicContact CG1-CB 4.01Å; V925-L1225 HydrophobicContact CG1-CD2 3.48Å; V925-L1225 HydrophobicContact CG1-CG 4.28Å; V925-Q1228 HydrophobicContact CG2-CB 3.51Å; V925-Q1228 HydrophobicContact CG2-CG 4.42Å; V925-L1299 VanDerWaalsContact C-CD1 3.41Å; V925-L1299 WeakPolarHBondContact O-CD1 3.22Å |
| 926 | D | 59.7 | Low | 59.8 | Low | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | trans | -129.8 | 124.4 | -173.6 | -166.1 | -3.9 | 0 | 0 | 0 | 111.2 | T921 Q922 T928 V929 | T921-D926 HydrophobicContact CG2-CB 4.45Å; Q922-D926 PolarHBondContact O-N 3.01Å; Q922-D926 VanDerWaalsContact O-N 3.11Å; D926-T928 VanDerWaalsContact C-N 3.31Å; D926-T928 PolarHBondContact O-N 3.24Å; D926-T928 VanDerWaalsContact O-N 3.08Å; D926-T928 WeakPolarHBondContact OD1-CA 3.35Å; D926-T928 WeakPolarHBondContact OD1-CB 3.27Å; D926-T928 PolarHBondContact OD1-N 3Å; D926-T928 PolarHBondContact OD1-OG1 3.08Å; D926-T928 PolarHBondContact OD2-OG1 2.86Å; D926-T928 VanDerWaalsContact OD2-OG1 3.06Å; D926-V929 HydrophobicContact CB-CG2 4.11Å; D926-V929 WeakPolarHBondContact O-CG2 3.26Å; D926-V929 PolarHBondContact O-N 3.42Å | ||
| 927 | R | 54.5 | Low | 58.7 | Low | 144 Ų | 144 | 69.5 Ų | 69.5 | 54% | 0.543 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18 | 173 | -70.1 | -176.9 | 172.9 | 171 | -2.2 | 112.3 | V929 T1081 W1083 L1299 D1302 | R927-V929 VanDerWaalsContact C-N 3.29Å; R927-V929 PolarHBondContact O-N 2.81Å; R927-T1081 WeakPolarHBondContact O-CB 3.31Å; R927-T1081 VanDerWaalsContact O-CG2 3.27Å; R927-T1081 WeakPolarHBondContact O-CG2 3.44Å; R927-W1083 HydrophobicContact CB-CD2 4.44Å; R927-W1083 HydrophobicContact CB-CG 4.46Å; R927-W1083 HydrophobicContact CG-CD2 4.31Å; R927-W1083 HydrophobicContact CG-CE3 4.15Å; R927-W1083 HydrophobicContact CG-CG 4.32Å; R927-W1083 HydrophobicContact CG-CH2 3.99Å; R927-W1083 HydrophobicContact CG-CZ2 4.28Å; R927-W1083 HydrophobicContact CG-CZ3 3.96Å; R927-L1299 HydrophobicContact CG-CD2 3.79Å; R927-D1302 IonicContact CZ-OD2 2.73Å; R927-D1302 IonicContact NE-OD2 3.61Å; R927-D1302 IonicContact NH2-OD2 3.13Å; R927-D1302 PolarHBondContact NH2-OD2 2.81Å |
| 928 | T | 53.2 | Low | 58.2 | Low | 77 Ų | 77 | 67.3 Ų | 67.3 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 25.7 | -177.4 | 61 | 0 | 0 | 0 | 0 | 113.2 | D926 R930 | D926-T928 VanDerWaalsContact C-N 3.31Å; D926-T928 PolarHBondContact O-N 3.24Å; D926-T928 VanDerWaalsContact O-N 3.08Å; D926-T928 WeakPolarHBondContact OD1-CA 3.35Å; D926-T928 WeakPolarHBondContact OD1-CB 3.27Å; D926-T928 PolarHBondContact OD1-N 3Å; D926-T928 PolarHBondContact OD1-OG1 3.08Å; D926-T928 PolarHBondContact OD2-OG1 2.86Å; D926-T928 VanDerWaalsContact OD2-OG1 3.06Å; T928-R930 VanDerWaalsContact C-N 3.31Å; T928-R930 WeakPolarHBondContact O-CG 3.23Å; T928-R930 PolarHBondContact O-N 2.95Å |
| 929 | V | 51.9 | Low | 58.3 | Low | 25.5 Ų | 25.5 | 66.9 Ų | 66.9 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | trans | -67.1 | 91.1 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | L923 D926 R927 F931 D1079 T1081 K1082 | L923-V929 HydrophobicContact CD2-CB 4Å; L923-V929 HydrophobicContact CD2-CG1 3.58Å; L923-V929 HydrophobicContact CD2-CG2 4.13Å; D926-V929 HydrophobicContact CB-CG2 4.11Å; D926-V929 WeakPolarHBondContact O-CG2 3.26Å; D926-V929 PolarHBondContact O-N 3.42Å; R927-V929 VanDerWaalsContact C-N 3.29Å; R927-V929 PolarHBondContact O-N 2.81Å; V929-F931 VanDerWaalsContact C-N 3.31Å; V929-F931 HydrophobicContact CG1-CD2 3.71Å; V929-F931 HydrophobicContact CG1-CE2 3.6Å; V929-F931 HydrophobicContact CG1-CZ 4.27Å; V929-F931 PolarHBondContact O-N 2.75Å; V929-D1079 HydrophobicContact CB-CB 4.21Å; V929-D1079 WeakPolarHBondContact O-CB 3.49Å; V929-T1081 WeakPolarHBondContact O-CA 3.37Å; V929-K1082 HydrophobicContact CB-CB 4.35Å; V929-K1082 HydrophobicContact CG1-CB 4.02Å; V929-K1082 HydrophobicContact CG1-CD 4.14Å; V929-K1082 HydrophobicContact CG1-CG 4.08Å; V929-K1082 WeakPolarHBondContact O-CB 3.5Å; V929-K1082 WeakPolarHBondContact O-CG 3.21Å; V929-K1082 PolarHBondContact O-N 3.12Å | ||
| 930 | R | 50.2 | Low | 58.6 | Low | 137 Ų | 137 | 63.8 Ų | 63.8 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -78 | 114.2 | 178.5 | -71.2 | -178.7 | 176.5 | -165.7 | -5.8 | 110 | T928 G932 A999 D1000 R1003 | T928-R930 VanDerWaalsContact C-N 3.31Å; T928-R930 WeakPolarHBondContact O-CG 3.23Å; T928-R930 PolarHBondContact O-N 2.95Å; R930-G932 PolarHBondContact O-N 3.26Å; R930-A999 PolarHBondContact NH1-O 2.82Å; R930-A999 PolarHBondContact NH2-O 2.82Å; R930-D1000 IonicContact NH2-OD1 3.9Å; R930-D1000 PolarHBondContact NH2-OD1 2.83Å; R930-R1003 VanDerWaalsContact CD-NH2 3.31Å |
| 931 | F | 46.4 | Very low | 58.7 | Low | 63.25 Ų | 63.25 | 65.9 Ų | 65.9 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | trans | -70 | 123.2 | 162.1 | -74 | -73.6 | 0 | 0 | 0 | 109.7 | R918 L923 V929 L1077 A1080 K1082 S1085 C1458 Y1460 K1463 | R918-F931 HydrophobicContact CG-CE1 4.42Å; R918-F931 HydrophobicContact CG-CZ 4.29Å; L923-F931 HydrophobicContact CD2-CE2 3.57Å; L923-F931 HydrophobicContact CD2-CZ 4.07Å; V929-F931 VanDerWaalsContact C-N 3.31Å; V929-F931 HydrophobicContact CG1-CD2 3.71Å; V929-F931 HydrophobicContact CG1-CE2 3.6Å; V929-F931 HydrophobicContact CG1-CZ 4.27Å; V929-F931 PolarHBondContact O-N 2.75Å; F931-L1077 HydrophobicContact CB-CB 3.84Å; F931-L1077 HydrophobicContact CB-CD1 4.07Å; F931-L1077 HydrophobicContact CB-CD2 3.97Å; F931-L1077 HydrophobicContact CB-CG 4.15Å; F931-L1077 WeakPolarHBondContact O-CD1 3.5Å; F931-A1080 WeakPolarHBondContact CD2-O 3.47Å; F931-A1080 PolarHBondContact N-O 2.93Å; F931-K1082 HydrophobicContact CD1-CD 4Å; F931-K1082 HydrophobicContact CD1-CG 3.65Å; F931-K1082 HydrophobicContact CD2-CG 3.95Å; F931-K1082 HydrophobicContact CE1-CB 3.96Å; F931-K1082 HydrophobicContact CE1-CD 3.79Å; F931-K1082 HydrophobicContact CE1-CG 3.64Å; F931-K1082 HydrophobicContact CE2-CB 4.06Å; F931-K1082 HydrophobicContact CE2-CG 3.86Å; F931-K1082 HydrophobicContact CG-CG 3.84Å; F931-K1082 VanDerWaalsContact CZ-CA 3.47Å; F931-K1082 HydrophobicContact CZ-CB 3.65Å; F931-K1082 HydrophobicContact CZ-CD 4.22Å; F931-K1082 HydrophobicContact CZ-CG 3.6Å; F931-S1085 WeakPolarHBondContact CE2-OG 3.32Å; F931-C1458 HydrophobicContact CE1-CB 4.46Å; F931-C1458 WeakPolarHBondContact CE1-O 3.36Å; F931-C1458 HydrophobicContact CZ-CB 3.81Å; F931-C1458 WeakPolarHBondContact CZ-O 3.23Å; F931-Y1460 HydrophobicContact CB-CD2 4.12Å; F931-K1463 HydrophobicContact CD2-CD 4.16Å; F931-K1463 HydrophobicContact CE2-CD 4.34Å | ||
| 932 | G | 46.1 | Very low | 59.4 | Low | 39.75 Ų | 39.75 | 65.3 Ų | 65.3 | 41% | 0.41 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 128 | 166.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R930 R1003 L1077 Y1460 | R930-G932 PolarHBondContact O-N 3.26Å; G932-R1003 PolarHBondContact O-NH1 3Å; G932-R1003 VanDerWaalsContact O-NH1 3.14Å; G932-L1077 VanDerWaalsContact CA-CD1 3.46Å; G932-Y1460 VanDerWaalsContact CA-CD2 3.49Å |
| 933 | W | 45.3 | Very low | 59.9 | Low | 132.75 Ų | 132.75 | 64.8 Ų | 64.8 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -55.1 | 151.7 | -177.3 | -59.9 | 31 | 0 | 0 | 0 | 111.7 | A935 L937 R1003 L1005 | W933-A935 PolarHBondContact O-N 2.98Å; W933-L937 HydrophobicContact CB-CD1 4.4Å; W933-L937 HydrophobicContact CE3-CD1 3.88Å; W933-L937 HydrophobicContact CE3-CD2 4.38Å; W933-R1003 VanDerWaalsContact O-CZ 3.32Å; W933-R1003 PolarHBondContact O-NH1 3.01Å; W933-R1003 PolarHBondContact O-NH2 2.81Å; W933-R1003 VanDerWaalsContact O-NH2 3.12Å; W933-L1005 HydrophobicContact CD2-CD1 3.94Å; W933-L1005 HydrophobicContact CE3-CD1 3.93Å; W933-L1005 HydrophobicContact CE3-CD2 4.12Å; W933-L1005 HydrophobicContact CG-CD1 4.22Å; W933-L1005 HydrophobicContact CH2-CB 3.87Å; W933-L1005 HydrophobicContact CH2-CD1 3.91Å; W933-L1005 HydrophobicContact CH2-CD2 3.75Å; W933-L1005 HydrophobicContact CH2-CG 4.13Å; W933-L1005 HydrophobicContact CZ2-CD1 3.8Å; W933-L1005 VanDerWaalsContact CZ2-CD1 3.45Å; W933-L1005 HydrophobicContact CZ3-CB 3.78Å; W933-L1005 HydrophobicContact CZ3-CD1 3.81Å; W933-L1005 HydrophobicContact CZ3-CD2 3.8Å; W933-L1005 VanDerWaalsContact CZ3-CD2 3.43Å; W933-L1005 HydrophobicContact CZ3-CG 4.09Å |
| 934 | P | 48.2 | Very low | 60.8 | Low | 79.25 Ų | 79.25 | 64.1 Ų | 64.1 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | trans | -45.1 | 135 | 173.4 | -26.2 | 32.8 | 0 | 0 | 0 | 110.7 | D936 L937 R1003 | P934-D936 PolarHBondContact O-N 2.9Å; P934-L937 HydrophobicContact CB-CD1 4.08Å; P934-L937 HydrophobicContact CB-CG 4.24Å; P934-L937 HydrophobicContact CG-CD1 4.07Å; P934-L937 HydrophobicContact CG-CG 4.48Å; P934-L937 PolarHBondContact O-N 3.15Å; P934-L937 VanDerWaalsContact O-N 3.14Å; P934-R1003 PolarHBondContact O-NH1 3.31Å | ||
| 935 | A | 48.4 | Very low | 61.6 | Low | 70.5 Ų | 70.5 | 64 Ų | 64 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W933 | W933-A935 PolarHBondContact O-N 2.98Š|
| 936 | D | 51.1 | Low | 62.7 | Low | 110 Ų | 110 | 63.8 Ų | 63.8 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.7 | -171.5 | -44 | -51.6 | 0 | 0 | 0 | 113.1 | P934 G938 | P934-D936 PolarHBondContact O-N 2.9Å; D936-G938 PolarHBondContact O-N 2.89Å; D936-G938 VanDerWaalsContact O-N 3.12Å |
| 937 | L | 53.8 | Low | 64.1 | Low | 86.25 Ų | 86.25 | 63.8 Ų | 63.8 | 45% | 0.452 | 33% | 0.329 | S | S | . | . | trans | -76.6 | 87 | 172.3 | -122 | 128.4 | 0 | 0 | 0 | 108.7 | W933 P934 A991 | W933-L937 HydrophobicContact CB-CD1 4.4Å; W933-L937 HydrophobicContact CE3-CD1 3.88Å; W933-L937 HydrophobicContact CE3-CD2 4.38Å; P934-L937 HydrophobicContact CB-CD1 4.08Å; P934-L937 HydrophobicContact CB-CG 4.24Å; P934-L937 HydrophobicContact CG-CD1 4.07Å; P934-L937 HydrophobicContact CG-CG 4.48Å; P934-L937 PolarHBondContact O-N 3.15Å; P934-L937 VanDerWaalsContact O-N 3.14Å; L937-A991 WeakPolarHBondContact O-CB 3.36Å | ||
| 938 | G | 62.1 | Low | 65.8 | Low | 18.5 Ų | 18.5 | 57.9 Ų | 57.9 | 19% | 0.191 | 31% | 0.309 | C | S | . | . | trans | -74.7 | -141.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C863 G864 D936 F940 A991 | C863-G938 WeakPolarHBondContact O-CA 3.3Å; G864-G938 CarbonylContact O-C 3.52Å; G864-G938 VanDerWaalsContact O-CA 3.25Å; G864-G938 WeakPolarHBondContact O-CA 3.37Å; G864-G938 PolarHBondContact O-N 3.08Å; G864-G938 VanDerWaalsContact O-N 3.11Å; D936-G938 PolarHBondContact O-N 2.89Å; D936-G938 VanDerWaalsContact O-N 3.12Å; G938-F940 PolarHBondContact O-N 3.11Å; G938-A991 PolarHBondContact O-N 2.9Å | ||
| 939 | R | 71.9 | Confident | 67.6 | Low | 88.75 Ų | 88.75 | 55.7 Ų | 55.7 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.6 | -177 | -113.8 | 173.9 | 173.5 | 170.9 | -5 | 110.6 | D859 G864 D865 V866 R941 F989 Q990 | D859-R939 IonicContact OD2-CZ 3.83Å; D859-R939 VanDerWaalsContact OD2-CZ 3.3Å; D859-R939 IonicContact OD2-NH1 3.22Å; D859-R939 PolarHBondContact OD2-NH1 3.19Å; D859-R939 IonicContact OD2-NH2 3.37Å; D859-R939 PolarHBondContact OD2-NH2 3.31Å; G864-R939 PolarHBondContact O-N 3.37Å; D865-R939 CarbonylContact C-O 3.45Å; D865-R939 VanDerWaalsContact CA-O 3.28Å; D865-R939 WeakPolarHBondContact CA-O 3.27Å; D865-R939 HydrophobicContact CB-CB 4.42Å; D865-R939 VanDerWaalsContact OD1-CB 3.28Å; D865-R939 WeakPolarHBondContact OD1-CB 3.37Å; D865-R939 WeakPolarHBondContact OD1-CD 3.3Å; D865-R939 WeakPolarHBondContact OD1-CG 3.18Å; D865-R939 PolarHBondContact OD1-N 3.01Å; D865-R939 VanDerWaalsContact OD1-N 3.12Å; V866-R939 PolarHBondContact N-O 3.14Å; R939-R941 HydrophobicContact CG-CG 4.06Å; R939-F989 CarbonylContact C-O 3.56Å; R939-F989 VanDerWaalsContact CA-O 3.25Å; R939-F989 WeakPolarHBondContact CA-O 3.39Å; R939-F989 WeakPolarHBondContact CG-O 3.39Å; R939-Q990 HydrophobicContact CB-CB 4.23Å; R939-Q990 HydrophobicContact CB-CG 4.18Å; R939-Q990 HydrophobicContact CG-CB 4.19Å; R939-Q990 HydrophobicContact CG-CG 4.16Å |
| 940 | F | 78.4 | Confident | 69.5 | Low | 75 Ų | 75 | 55.3 Ų | 55.3 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.2 | 168.8 | -179.5 | -116.4 | 0 | 0 | 0 | 109.6 | V866 L868 G938 I942 H988 F989 | V866-F940 HydrophobicContact CB-CD2 4.04Å; V866-F940 HydrophobicContact CB-CE2 4.5Å; V866-F940 HydrophobicContact CG1-CD2 3.89Å; V866-F940 HydrophobicContact CG1-CE2 4.15Å; V866-F940 CarbonylContact O-C 3.57Å; V866-F940 VanDerWaalsContact O-CA 3.26Å; V866-F940 WeakPolarHBondContact O-CA 3.39Å; V866-F940 VanDerWaalsContact O-CD2 3.29Å; V866-F940 WeakPolarHBondContact O-CD2 3.38Å; L868-F940 HydrophobicContact CB-CE2 4.37Å; L868-F940 HydrophobicContact CB-CZ 4.26Å; G938-F940 PolarHBondContact O-N 3.11Å; F940-I942 HydrophobicContact CD1-CD1 4.13Å; F940-I942 HydrophobicContact CD1-CG1 4.25Å; F940-I942 HydrophobicContact CE1-CD1 3.41Å; F940-I942 HydrophobicContact CE1-CG1 3.5Å; F940-I942 VanDerWaalsContact CE1-CG1 3.45Å; F940-I942 HydrophobicContact CE2-CG1 4.35Å; F940-I942 HydrophobicContact CZ-CD1 3.76Å; F940-I942 VanDerWaalsContact CZ-CD1 3.46Å; F940-I942 HydrophobicContact CZ-CG1 3.61Å; F940-I942 VanDerWaalsContact CZ-CG1 3.45Å; F940-H988 CarbonylContact O-C 3.54Å; F940-H988 WeakPolarHBondContact O-CA 3.28Å; F940-F989 HydrophobicContact CB-CB 4.28Å; F940-F989 AromaticContact CD1-CD2 3.85Å; F940-F989 HydrophobicContact CD1-CD2 3.98Å; F940-F989 HydrophobicContact CD1-CE2 4.34Å; F940-F989 PolarHBondContact N-O 2.91Å; F940-F989 PolarHBondContact O-N 3.01Å |
| 941 | R | 80.2 | Confident | 71.5 | Confident | 44.25 Ų | 44.25 | 50.6 Ų | 50.6 | 17% | 0.167 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.3 | 178.7 | -146.6 | -177.4 | -173.3 | 176.7 | 6 | 110.3 | F855 G858 D865 V866 G867 L868 R939 D986 G987 H988 | F855-R941 HydrophobicContact CD2-CG 4.34Å; F855-R941 VanDerWaalsContact CE1-NH2 3.26Å; F855-R941 HydrophobicContact CE2-CB 4.03Å; F855-R941 HydrophobicContact CE2-CG 3.66Å; F855-R941 HydrophobicContact CZ-CB 4.12Å; F855-R941 HydrophobicContact CZ-CG 4.01Å; F855-R941 PolarHBondContact O-NH1 2.77Å; G858-R941 PolarHBondContact O-NH1 2.77Å; D865-R941 IonicContact OD2-CZ 3.75Å; D865-R941 IonicContact OD2-NE 2.82Å; D865-R941 IonicContact OD2-NH2 3.53Å; D865-R941 PolarHBondContact OD2-NH2 2.98Å; V866-R941 PolarHBondContact O-N 2.83Å; G867-R941 CarbonylContact C-O 3.5Å; G867-R941 VanDerWaalsContact CA-O 3.28Å; G867-R941 WeakPolarHBondContact CA-O 3.33Å; L868-R941 PolarHBondContact N-O 3.24Å; R939-R941 HydrophobicContact CG-CG 4.06Å; R941-D986 IonicContact CZ-OD1 3.8Å; R941-D986 IonicContact CZ-OD2 2.67Å; R941-D986 IonicContact NE-OD1 3.22Å; R941-D986 PolarHBondContact NE-OD1 3.11Å; R941-D986 IonicContact NE-OD2 2.89Å; R941-D986 PolarHBondContact NE-OD2 2.85Å; R941-D986 IonicContact NH2-OD1 3.72Å; R941-D986 IonicContact NH2-OD2 3.15Å; R941-D986 PolarHBondContact NH2-OD2 2.89Å; R941-G987 CarbonylContact C-O 3.57Å; R941-G987 VanDerWaalsContact CA-O 3.28Å; R941-G987 WeakPolarHBondContact CA-O 3.34Å; R941-H988 WeakPolarHBondContact CG-ND1 3.36Å; R941-H988 PolarHBondContact NE-CE1 2.82Å; R941-H988 VanDerWaalsContact NE-CE1 3.31Å; R941-H988 PolarHBondContact NE-NE2 2.88Å; R941-H988 PolarHBondContact NH2-CE1 2.89Å; R941-H988 PolarHBondContact NH2-NE2 2.8Å |
| 942 | I | 82.8 | Confident | 73.5 | Confident | 31.5 Ų | 31.5 | 47.6 Ų | 47.6 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.8 | 169.7 | -58.9 | 174.3 | 0 | 0 | 0 | 107.6 | L868 F940 M944 D986 G987 F989 F1009 | L868-I942 HydrophobicContact CB-CG1 4.3Å; L868-I942 HydrophobicContact CB-CG2 4.35Å; L868-I942 HydrophobicContact CD2-CG1 4.42Å; L868-I942 HydrophobicContact CD2-CG2 4.19Å; L868-I942 HydrophobicContact CG-CG2 4.24Å; L868-I942 CarbonylContact O-C 3.53Å; L868-I942 WeakPolarHBondContact O-CA 3.38Å; F940-I942 HydrophobicContact CD1-CD1 4.13Å; F940-I942 HydrophobicContact CD1-CG1 4.25Å; F940-I942 HydrophobicContact CE1-CD1 3.41Å; F940-I942 HydrophobicContact CE1-CG1 3.5Å; F940-I942 VanDerWaalsContact CE1-CG1 3.45Å; F940-I942 HydrophobicContact CE2-CG1 4.35Å; F940-I942 HydrophobicContact CZ-CD1 3.76Å; F940-I942 VanDerWaalsContact CZ-CD1 3.46Å; F940-I942 HydrophobicContact CZ-CG1 3.61Å; F940-I942 VanDerWaalsContact CZ-CG1 3.45Å; I942-M944 HydrophobicContact CG2-CE 3.53Å; I942-M944 VanDerWaalsContact CG2-CE 3.5Å; I942-M944 HydrophobicContact CG2-CG 4.27Å; I942-M944 HydrophobicContact CG2-SD 4.48Å; I942-D986 CarbonylContact O-C 3.49Å; I942-D986 WeakPolarHBondContact O-CA 3.37Å; I942-D986 VanDerWaalsContact O-OD1 3.06Å; I942-G987 PolarHBondContact N-O 3.08Å; I942-G987 PolarHBondContact O-N 2.91Å; I942-F989 HydrophobicContact CD1-CE2 4.04Å; I942-F1009 HydrophobicContact CD1-CE1 4.08Å; I942-F1009 HydrophobicContact CD1-CZ 4.25Å |
| 943 | A | 81.7 | Confident | 75.5 | Confident | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F849 F855 L868 W869 T870 D986 | F849-A943 HydrophobicContact CE2-CB 4.06Å; F849-A943 HydrophobicContact CZ-CB 4.18Å; F855-A943 HydrophobicContact CD2-CB 3.69Å; F855-A943 VanDerWaalsContact CD2-CB 3.5Å; F855-A943 HydrophobicContact CE2-CB 3.42Å; F855-A943 VanDerWaalsContact CE2-CB 3.5Å; F855-A943 HydrophobicContact CZ-CB 4.3Å; L868-A943 PolarHBondContact O-N 3Å; W869-A943 VanDerWaalsContact CA-O 3.32Å; W869-A943 WeakPolarHBondContact CA-O 3.35Å; W869-A943 HydrophobicContact CE3-CB 3.95Å; W869-A943 HydrophobicContact CZ3-CB 4.19Å; T870-A943 PolarHBondContact N-O 2.84Å; A943-D986 VanDerWaalsContact CA-OD1 3.22Å; A943-D986 WeakPolarHBondContact CA-OD1 3.46Å; A943-D986 WeakPolarHBondContact CB-OD1 3.24Å |
| 944 | M | 84.1 | Confident | 77.1 | Confident | 16.5 Ų | 16.5 | 39.8 Ų | 39.8 | 8% | 0.081 | 23% | 0.226 | C | C | . | . | trans | -144.5 | 148.2 | 175 | 40.9 | -175.1 | 120.9 | 0 | 0 | 110.5 | F849 L868 T870 I874 I942 A946 I947 A984 P985 | F849-M944 VanDerWaalsContact CE2-O 3.28Å; F849-M944 WeakPolarHBondContact CE2-O 3.29Å; F849-M944 VanDerWaalsContact CZ-C 3.41Å; F849-M944 VanDerWaalsContact CZ-N 3.35Å; L868-M944 HydrophobicContact CD2-CE 4.1Å; T870-M944 HydrophobicContact CG2-CB 3.47Å; T870-M944 VanDerWaalsContact CG2-CB 3.47Å; T870-M944 HydrophobicContact CG2-CE 4.48Å; T870-M944 WeakPolarHBondContact OG1-CB 3.34Å; I874-M944 HydrophobicContact CD1-CE 3.85Å; I874-M944 HydrophobicContact CD1-SD 3.98Å; I874-M944 VanDerWaalsContact CD1-SD 3.54Å; I874-M944 HydrophobicContact CG1-SD 4.18Å; I942-M944 HydrophobicContact CG2-CE 3.53Å; I942-M944 VanDerWaalsContact CG2-CE 3.5Å; I942-M944 HydrophobicContact CG2-CG 4.27Å; I942-M944 HydrophobicContact CG2-SD 4.48Å; M944-A946 PolarHBondContact O-N 3.31Å; M944-I947 HydrophobicContact CE-CD1 4.11Å; M944-I947 HydrophobicContact CE-CG1 4.25Å; M944-I947 HydrophobicContact CG-CG1 4.28Å; M944-I947 HydrophobicContact SD-CD1 3.7Å; M944-I947 VanDerWaalsContact SD-CD1 3.53Å; M944-I947 HydrophobicContact SD-CG1 3.56Å; M944-I947 WeakPolarHBondContact SD-CG1 3.39Å; M944-A984 VanDerWaalsContact O-CA 3.32Å; M944-A984 WeakPolarHBondContact O-CA 3.24Å; M944-P985 HydrophobicContact CB-CG 4.23Å; M944-P985 HydrophobicContact CE-CG 4.16Å; M944-P985 HydrophobicContact CG-CG 3.5Å; M944-P985 VanDerWaalsContact CG-CG 3.46Å; M944-P985 PolarHBondContact N-O 2.85Å; M944-P985 VanDerWaalsContact N-O 3.15Å; M944-P985 VanDerWaalsContact O-CD 3.27Å; M944-P985 WeakPolarHBondContact O-CD 3.32Å; M944-P985 HydrophobicContact SD-CG 4.18Å | ||
| 945 | P | 81 | Confident | 78.1 | Confident | 32.5 Ų | 32.5 | 36.3 Ų | 36.3 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -73.8 | -35.5 | -173.6 | 26.9 | -34.2 | 0 | 0 | 0 | 112.5 | F849 T870 D871 A984 | F849-P945 HydrophobicContact CB-CB 4.44Å; F849-P945 HydrophobicContact CD1-CB 4.09Å; F849-P945 HydrophobicContact CD1-CG 4.38Å; F849-P945 HydrophobicContact CD2-CB 4.06Å; F849-P945 HydrophobicContact CE1-CB 4.23Å; F849-P945 HydrophobicContact CE1-CG 4.23Å; F849-P945 HydrophobicContact CE2-CB 4.2Å; F849-P945 VanDerWaalsContact CE2-N 3.32Å; F849-P945 HydrophobicContact CG-CB 3.95Å; F849-P945 HydrophobicContact CZ-CB 4.36Å; F849-P945 VanDerWaalsContact CZ-CD 3.45Å; F849-P945 HydrophobicContact CZ-CG 4.32Å; T870-P945 WeakPolarHBondContact O-CD 3.34Å; T870-P945 WeakPolarHBondContact O-CG 3.36Å; D871-P945 VanDerWaalsContact O-CG 3.28Å; D871-P945 WeakPolarHBondContact O-CG 3.26Å; P945-A984 WeakPolarHBondContact O-CA 3.23Å; P945-A984 PolarHBondContact O-N 3.04Å |
| 946 | A | 85.5 | Confident | 78.9 | Confident | 20.5 Ų | 20.5 | 34.6 Ų | 34.6 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 155.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G873 I874 M944 V982 Y983 | G873-A946 CarbonylContact C-O 3.51Å; G873-A946 WeakPolarHBondContact CA-O 3.28Å; I874-A946 PolarHBondContact N-O 3.03Å; I874-A946 VanDerWaalsContact N-O 3.09Å; M944-A946 PolarHBondContact O-N 3.31Å; A946-V982 CarbonylContact C-O 3.53Å; A946-V982 VanDerWaalsContact CA-O 3.23Å; A946-V982 WeakPolarHBondContact CA-O 3.31Å; A946-Y983 HydrophobicContact CB-CD1 4.47Å |
| 947 | I | 89.2 | Confident | 79.5 | Confident | 41 Ų | 41 | 31.8 Ų | 31.8 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124 | 164.1 | -57.1 | 171.8 | 0 | 0 | 0 | 107.5 | I874 L876 M944 V981 V982 P985 | I874-I947 CarbonylContact O-C 3.51Å; I874-I947 WeakPolarHBondContact O-CA 3.34Å; L876-I947 HydrophobicContact CD1-CG2 4.06Å; M944-I947 HydrophobicContact CE-CD1 4.11Å; M944-I947 HydrophobicContact CE-CG1 4.25Å; M944-I947 HydrophobicContact CG-CG1 4.28Å; M944-I947 HydrophobicContact SD-CD1 3.7Å; M944-I947 VanDerWaalsContact SD-CD1 3.53Å; M944-I947 HydrophobicContact SD-CG1 3.56Å; M944-I947 WeakPolarHBondContact SD-CG1 3.39Å; I947-V981 CarbonylContact O-C 3.54Å; I947-V981 WeakPolarHBondContact O-CA 3.35Å; I947-V982 HydrophobicContact CB-CB 4.3Å; I947-V982 PolarHBondContact N-O 3.03Å; I947-V982 PolarHBondContact O-N 2.9Å; I947-P985 HydrophobicContact CD1-CG 3.97Å; I947-P985 HydrophobicContact CG1-CG 4.14Å |
| 948 | T | 89.9 | Confident | 79.5 | Confident | 19.5 Ų | 19.5 | 32.6 Ų | 32.6 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 110 | 179.7 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | I838 I874 Q875 L876 K950 L980 V981 | I838-T948 HydrophobicContact CD1-CG2 3.69Å; I874-T948 PolarHBondContact O-N 3.2Å; Q875-T948 CarbonylContact C-O 3.5Å; Q875-T948 WeakPolarHBondContact CA-O 3.42Å; L876-T948 PolarHBondContact N-O 2.97Å; T948-K950 HydrophobicContact CG2-CG 4.42Å; T948-L980 CarbonylContact C-O 3.52Å; T948-L980 WeakPolarHBondContact CA-O 3.36Å; T948-V981 HydrophobicContact CG2-CG2 4.33Å |
| 949 | C | 91.7 | Very high | 79.1 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.4 | 173.7 | -81.7 | 0 | 0 | 0 | 0 | 110 | L876 I979 L980 | L876-C949 HydrophobicContact CB-CB 4.33Å; L876-C949 CarbonylContact O-C 3.5Å; L876-C949 WeakPolarHBondContact O-CA 3.41Å; C949-I979 CarbonylContact O-C 3.54Å; C949-I979 WeakPolarHBondContact O-CA 3.26Å; C949-L980 HydrophobicContact CB-CB 4.22Å; C949-L980 PolarHBondContact N-O 3.28Å; C949-L980 PolarHBondContact O-N 3.13Å |
| 950 | K | 91.7 | Very high | 77.7 | Confident | 16.5 Ų | 16.5 | 36.3 Ų | 36.3 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.1 | 172.7 | -62.8 | 174.5 | -170.2 | 171 | 0 | 108.2 | Q834 L836 I838 L876 F877 T878 T948 G978 | Q834-K950 PolarHBondContact O-NZ 2.84Å; L836-K950 WeakPolarHBondContact O-CE 3.31Å; L836-K950 PolarHBondContact O-NZ 2.89Å; I838-K950 HydrophobicContact CD1-CD 4.29Å; I838-K950 VanDerWaalsContact CD1-CE 3.48Å; I838-K950 HydrophobicContact CD1-CG 4.18Å; L876-K950 PolarHBondContact O-N 3.07Å; F877-K950 CarbonylContact C-O 3.53Å; F877-K950 VanDerWaalsContact CA-O 3.29Å; F877-K950 WeakPolarHBondContact CA-O 3.38Å; F877-K950 HydrophobicContact CD2-CB 3.95Å; F877-K950 HydrophobicContact CD2-CD 4.46Å; F877-K950 HydrophobicContact CE2-CB 4.44Å; T878-K950 PolarHBondContact N-O 2.91Å; T878-K950 PolarHBondContact OG1-O 2.81Å; T948-K950 HydrophobicContact CG2-CG 4.42Å; K950-G978 CarbonylContact C-O 3.55Å; K950-G978 WeakPolarHBondContact CA-O 3.38Å |
| 951 | T | 91.3 | Very high | 76.1 | Confident | 38.75 Ų | 38.75 | 36.6 Ų | 36.6 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.4 | 178.4 | 62.7 | 0 | 0 | 0 | 0 | 109.4 | T878 V977 G978 W1169 | T878-T951 HydrophobicContact CG2-CG2 3.91Å; T878-T951 VanDerWaalsContact O-CA 3.3Å; T878-T951 WeakPolarHBondContact O-CA 3.36Å; T878-T951 WeakPolarHBondContact OG1-CG2 3.38Å; T951-V977 CarbonylContact O-C 3.51Å; T951-V977 VanDerWaalsContact O-CA 3.25Å; T951-V977 WeakPolarHBondContact O-CA 3.25Å; T951-V977 WeakPolarHBondContact O-CG1 3.4Å; T951-G978 PolarHBondContact N-O 3.29Å; T951-G978 PolarHBondContact O-N 3.14Å; T951-G978 VanDerWaalsContact OG1-C 3.23Å; T951-G978 VanDerWaalsContact OG1-CA 3.31Å; T951-G978 WeakPolarHBondContact OG1-CA 3.27Å; T951-G978 PolarHBondContact OG1-N 3.09Å; T951-G978 PolarHBondContact OG1-O 2.89Å; T951-W1169 HydrophobicContact CG2-CH2 4.32Å; T951-W1169 HydrophobicContact CG2-CZ2 4.14Å |
| 952 | I | 89.5 | Confident | 74.2 | Confident | 0.75 Ų | 0.75 | 39.2 Ų | 39.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.3 | 172.7 | -79.7 | 180 | 0 | 0 | 0 | 109.1 | Y793 L796 L797 L833 F877 T878 S879 P880 V977 | Y793-I952 HydrophobicContact CE1-CG2 4.31Å; L796-I952 HydrophobicContact CB-CD1 4.03Å; L796-I952 HydrophobicContact CD1-CD1 4.1Å; L797-I952 HydrophobicContact CD2-CD1 4.33Å; L797-I952 HydrophobicContact CD2-CG2 3.95Å; L833-I952 HydrophobicContact CB-CD1 3.56Å; L833-I952 HydrophobicContact CD1-CD1 3.8Å; L833-I952 HydrophobicContact CG-CD1 4.34Å; F877-I952 HydrophobicContact CE2-CB 4.36Å; F877-I952 HydrophobicContact CE2-CD1 3.54Å; F877-I952 VanDerWaalsContact CE2-CD1 3.43Å; F877-I952 HydrophobicContact CE2-CG1 3.75Å; F877-I952 HydrophobicContact CE2-CG2 3.69Å; F877-I952 HydrophobicContact CZ-CB 4.34Å; F877-I952 HydrophobicContact CZ-CD1 3.81Å; F877-I952 HydrophobicContact CZ-CG1 4.18Å; F877-I952 HydrophobicContact CZ-CG2 3.5Å; T878-I952 PolarHBondContact O-N 2.82Å; T878-I952 VanDerWaalsContact O-N 3.13Å; S879-I952 WeakPolarHBondContact CA-O 3.43Å; S879-I952 VanDerWaalsContact CB-O 3.28Å; S879-I952 WeakPolarHBondContact CB-O 3.37Å; P880-I952 WeakPolarHBondContact CD-O 3.43Å; I952-V977 HydrophobicContact CB-CG2 4.5Å; I952-V977 HydrophobicContact CD1-CG2 4.26Å; I952-V977 HydrophobicContact CG1-CB 4.49Å; I952-V977 HydrophobicContact CG1-CG1 4.16Å; I952-V977 HydrophobicContact CG1-CG2 4.08Å; I952-V977 HydrophobicContact CG2-CG2 4.42Å |
| 953 | Q | 86.7 | Confident | 72.3 | Confident | 6.75 Ų | 6.75 | 42.4 Ų | 42.4 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.5 | 173.7 | 111.1 | -92.7 | -15 | 0 | 0 | 110.9 | P880 G955 V975 S976 P1164 S1165 S1168 | P880-Q953 HydrophobicContact CG-CB 4.17Å; P880-Q953 HydrophobicContact CG-CG 4.23Å; Q953-G955 VanDerWaalsContact NE2-CA 3.32Å; Q953-V975 CarbonylContact O-C 3.52Å; Q953-V975 WeakPolarHBondContact O-CA 3.29Å; Q953-S976 VanDerWaalsContact CD-O 3.24Å; Q953-S976 VanDerWaalsContact CG-OG 3.26Å; Q953-S976 WeakPolarHBondContact CG-OG 3.25Å; Q953-S976 PolarHBondContact N-O 3.11Å; Q953-S976 PolarHBondContact NE2-O 2.97Å; Q953-S976 PolarHBondContact NE2-OG 3.04Å; Q953-S976 PolarHBondContact O-N 3.04Å; Q953-S976 PolarHBondContact OE1-OG 3.11Å; Q953-S976 VanDerWaalsContact OE1-OG 3.12Å; Q953-P1164 PolarHBondContact NE2-O 2.86Å; Q953-S1165 PolarHBondContact NE2-OG 3.03Å; Q953-S1165 PolarHBondContact OE1-OG 3.34Å; Q953-S1168 WeakPolarHBondContact CB-OG 3.49Å; Q953-S1168 WeakPolarHBondContact CG-OG 3.36Å |
| 954 | C | 79.6 | Confident | 70.5 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 171.6 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | I789 T792 Y793 L796 A974 | I789-C954 HydrophobicContact CG2-CB 3.98Å; I789-C954 WeakPolarHBondContact CG2-O 3.49Å; T792-C954 HydrophobicContact CG2-CB 4.23Å; Y793-C954 HydrophobicContact CD2-CB 4.33Å; Y793-C954 HydrophobicContact CE1-CB 4.23Å; Y793-C954 VanDerWaalsContact CE1-SG 3.55Å; Y793-C954 HydrophobicContact CE2-CB 3.9Å; Y793-C954 PolarHBondContact OH-N 2.96Å; Y793-C954 VanDerWaalsContact OH-N 3.1Å; L796-C954 VanDerWaalsContact CD1-SG 3.53Å; C954-A974 WeakPolarHBondContact CA-O 3.41Å |
| 955 | G | 69.9 | Low | 68.6 | Low | 4.25 Ų | 4.25 | 54.5 Ų | 54.5 | 4% | 0.044 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q953 S973 A974 | Q953-G955 VanDerWaalsContact NE2-CA 3.32Å; G955-S973 CarbonylContact O-C 3.54Å; G955-S973 VanDerWaalsContact O-CA 3.29Å; G955-S973 WeakPolarHBondContact O-CA 3.37Å; G955-S973 WeakPolarHBondContact O-CB 3.37Å; G955-A974 PolarHBondContact N-O 3.03Å; G955-A974 VanDerWaalsContact N-O 3.16Å; G955-A974 PolarHBondContact O-N 3.01Å |
| 956 | L | 65.7 | Low | 67 | Low | 36 Ų | 36 | 56.7 Ų | 56.7 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 137.1 | -179.7 | -116.6 | 109.3 | 0 | 0 | 0 | 111.4 | Y777 P788 I789 | Y777-L956 HydrophobicContact CE1-CD2 4.21Å; P788-L956 HydrophobicContact CB-CD1 4.23Å; P788-L956 HydrophobicContact CG-CD1 4.02Å; I789-L956 HydrophobicContact CD1-CD1 3.88Å; I789-L956 HydrophobicContact CG1-CD1 3.58Å |
| 957 | L | 62.9 | Low | 65.4 | Low | 50.5 Ų | 50.5 | 66.8 Ų | 66.8 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | trans | -78.7 | 128.1 | 170.7 | -74.4 | 156 | 0 | 0 | 0 | 109.9 | K959 L972 A974 D1160 | L957-K959 VanDerWaalsContact C-N 3.31Å; L957-K959 PolarHBondContact O-N 3.05Å; L957-K959 VanDerWaalsContact O-N 3.16Å; L957-L972 PolarHBondContact N-O 3.06Å; L957-L972 VanDerWaalsContact N-O 3.14Å; L957-A974 HydrophobicContact CD1-CB 4.26Å; L957-A974 HydrophobicContact CD2-CB 4.13Å; L957-A974 HydrophobicContact CG-CB 4.22Å; L957-D1160 HydrophobicContact CD2-CB 4Å; L957-D1160 WeakPolarHBondContact CD2-O 3.31Å | ||
| 958 | E | 54.5 | Low | 63.9 | Low | 103.5 Ų | 103.5 | 67.1 Ų | 67.1 | 48% | 0.484 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -63.4 | -15.2 | -177.4 | -73.2 | 177.3 | 179.1 | 0 | 0 | 113.9 | Y777 A960 N1163 K1571 | Y777-E958 HydrophobicContact CE1-CG 4.36Å; Y777-E958 HydrophobicContact CE2-CG 4.35Å; Y777-E958 WeakPolarHBondContact OH-CG 2.97Å; E958-A960 PolarHBondContact O-N 2.96Å; E958-N1163 PolarHBondContact OE1-ND2 2.92Å; E958-K1571 IonicContact OE1-NZ 2.69Å |
| 959 | K | 52.3 | Low | 62.3 | Low | 115 Ų | 115 | 67.1 Ų | 67.1 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -99.4 | 93.1 | 178.3 | -69.9 | 178.7 | -177.9 | 143.5 | 0 | 110.6 | L957 L961 K1154 D1160 | L957-K959 VanDerWaalsContact C-N 3.31Å; L957-K959 PolarHBondContact O-N 3.05Å; L957-K959 VanDerWaalsContact O-N 3.16Å; K959-L961 HydrophobicContact CB-CD1 3.81Å; K959-L961 PolarHBondContact O-N 3.22Å; K959-K1154 PolarHBondContact NZ-O 3.36Å; K959-D1160 IonicContact NZ-OD1 3.35Å; K959-D1160 PolarHBondContact NZ-OD1 2.99Å; K959-D1160 IonicContact NZ-OD2 3.15Å; K959-D1160 PolarHBondContact NZ-OD2 2.82Å |
| 960 | A | 42.8 | Very low | 60.7 | Low | 69 Ų | 69 | 66.2 Ų | 66.2 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -60 | 111.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V773 E958 | V773-A960 HydrophobicContact CG2-CB 4.01Å; E958-A960 PolarHBondContact O-N 2.96Å |
| 961 | L | 44.6 | Very low | 59.1 | Low | 82.75 Ų | 82.75 | 67.1 Ų | 67.1 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | trans | -61.7 | 156.8 | 169.3 | -93.1 | 77 | 0 | 0 | 0 | 110.2 | K959 T963 Q965 | K959-L961 HydrophobicContact CB-CD1 3.81Å; K959-L961 PolarHBondContact O-N 3.22Å; L961-T963 PolarHBondContact O-N 2.9Å; L961-Q965 HydrophobicContact CB-CB 4.36Å; L961-Q965 HydrophobicContact CD2-CB 4Å; L961-Q965 HydrophobicContact CD2-CG 4.42Å | ||
| 962 | P | 41.7 | Very low | 57.5 | Low | 97.5 Ų | 97.5 | 67.3 Ų | 67.3 | 63% | 0.633 | 35% | 0.351 | S | S | * | . | trans | -52.1 | 140.9 | 170.6 | -22 | 32.3 | 0 | 0 | 0 | 111 | D964 Q965 | P962-D964 PolarHBondContact O-N 2.93Å; P962-Q965 PolarHBondContact O-N 3.32Å | ||
| 963 | T | 43 | Very low | 56.2 | Low | 98.25 Ų | 98.25 | 67.4 Ų | 67.4 | 60% | 0.603 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -52.1 | -22 | -171.9 | 42.4 | 0 | 0 | 0 | 0 | 115.2 | L961 Q965 L966 | L961-T963 PolarHBondContact O-N 2.9Å; T963-Q965 VanDerWaalsContact C-N 3.27Å; T963-Q965 PolarHBondContact O-N 3.26Å; T963-L966 HydrophobicContact CG2-CD1 4.26Å; T963-L966 WeakPolarHBondContact O-CB 3.41Å; T963-L966 VanDerWaalsContact O-CD1 3.25Å; T963-L966 WeakPolarHBondContact O-CD1 3.35Å; T963-L966 VanDerWaalsContact O-CG 3.23Å; T963-L966 WeakPolarHBondContact O-CG 3.32Å; T963-L966 PolarHBondContact O-N 3.05Å |
| 964 | D | 41.9 | Very low | 55.4 | Low | 142.75 Ų | 142.75 | 67.3 Ų | 67.3 | 76% | 0.763 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -77.6 | -11.6 | -172 | -57.6 | -13.2 | 0 | 0 | 0 | 113.7 | P962 | P962-D964 PolarHBondContact O-N 2.93Š|
| 965 | Q | 45 | Very low | 55.4 | Low | 134 Ų | 134 | 67.1 Ų | 67.1 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -101.4 | 7 | 177.1 | -67.2 | -162.2 | -5.6 | 0 | 0 | 114.4 | L961 P962 T963 R967 S971 | L961-Q965 HydrophobicContact CB-CB 4.36Å; L961-Q965 HydrophobicContact CD2-CB 4Å; L961-Q965 HydrophobicContact CD2-CG 4.42Å; P962-Q965 PolarHBondContact O-N 3.32Å; T963-Q965 VanDerWaalsContact C-N 3.27Å; T963-Q965 PolarHBondContact O-N 3.26Å; Q965-R967 PolarHBondContact O-N 3.06Å; Q965-S971 PolarHBondContact O-OG 2.92Å |
| 966 | L | 47.6 | Very low | 56.2 | Low | 79.75 Ų | 79.75 | 67 Ų | 67 | 42% | 0.418 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 33.3 | -177.2 | -67.7 | 174.2 | 0 | 0 | 0 | 114.6 | T963 N968 L972 | T963-L966 HydrophobicContact CG2-CD1 4.26Å; T963-L966 WeakPolarHBondContact O-CB 3.41Å; T963-L966 VanDerWaalsContact O-CD1 3.25Å; T963-L966 WeakPolarHBondContact O-CD1 3.35Å; T963-L966 VanDerWaalsContact O-CG 3.23Å; T963-L966 WeakPolarHBondContact O-CG 3.32Å; T963-L966 PolarHBondContact O-N 3.05Å; L966-N968 PolarHBondContact O-N 2.97Å; L966-L972 HydrophobicContact CD1-CD1 4.43Å; L966-L972 HydrophobicContact CD1-CD2 4.23Å; L966-L972 HydrophobicContact CD2-CD1 3.84Å; L966-L972 VanDerWaalsContact CD2-CD1 3.48Å; L966-L972 HydrophobicContact CD2-CD2 3.69Å; L966-L972 HydrophobicContact CD2-CG 4.1Å |
| 967 | R | 52 | Low | 57.2 | Low | 231.75 Ų | 231.75 | 65.5 Ų | 65.5 | 88% | 0.875 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -19.3 | -176.1 | -71.4 | -170.7 | 178.5 | -168.9 | -0.5 | 115.3 | Q965 | Q965-R967 PolarHBondContact O-N 3.06Š|
| 968 | N | 57.5 | Low | 58.5 | Low | 48.5 Ų | 48.5 | 63.6 Ų | 63.6 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | trans | -129.7 | 121.5 | -175.4 | -138.4 | 6 | 0 | 0 | 0 | 110.3 | L966 L970 S971 D1023 | L966-N968 PolarHBondContact O-N 2.97Å; N968-L970 PolarHBondContact O-N 3.2Å; N968-S971 WeakPolarHBondContact O-CB 3.2Å; N968-S971 PolarHBondContact O-N 3.18Å; N968-S971 VanDerWaalsContact O-N 3.09Å; N968-S971 PolarHBondContact O-OG 3.05Å; N968-D1023 VanDerWaalsContact ND2-CG 3.33Å; N968-D1023 PolarHBondContact ND2-OD2 3.03Å | ||
| 969 | P | 56.7 | Low | 60.2 | Low | 19.5 Ų | 19.5 | 58.9 Ų | 58.9 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -64.3 | -25 | -176.7 | 26.5 | -34.9 | 0 | 0 | 0 | 113 | Y568 L791 E795 S971 L972 S973 | Y568-P969 HydrophobicContact CE2-CG 4.41Å; L791-P969 HydrophobicContact CB-CB 4.44Å; E795-P969 VanDerWaalsContact CD-CG 3.42Å; E795-P969 WeakPolarHBondContact OE1-CD 3.45Å; E795-P969 VanDerWaalsContact OE1-CG 3.22Å; E795-P969 WeakPolarHBondContact OE1-CG 3.44Å; E795-P969 VanDerWaalsContact OE2-CG 3.31Å; E795-P969 WeakPolarHBondContact OE2-CG 3.47Å; P969-S971 VanDerWaalsContact C-N 3.27Å; P969-S971 PolarHBondContact O-N 2.82Å; P969-S971 VanDerWaalsContact O-N 3.12Å; P969-L972 PolarHBondContact O-N 2.98Å; P969-S973 PolarHBondContact O-N 3.03Å; P969-S973 PolarHBondContact O-OG 2.99Å; P969-S973 VanDerWaalsContact O-OG 3.07Å |
| 970 | L | 57.3 | Low | 62 | Low | 10.5 Ų | 10.5 | 56.6 Ų | 56.6 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -63.8 | -18.3 | 171.2 | -70.9 | 168.3 | 0 | 0 | 0 | 114.2 | T792 L796 N968 L972 V975 D1023 | T792-L970 HydrophobicContact CG2-CD2 4.12Å; L796-L970 HydrophobicContact CD2-CD2 4.33Å; N968-L970 PolarHBondContact O-N 3.2Å; L970-L972 VanDerWaalsContact C-N 3.31Å; L970-V975 HydrophobicContact CD2-CG2 3.94Å; L970-D1023 HydrophobicContact CB-CB 4.39Å |
| 971 | S | 59.5 | Low | 64.3 | Low | 37.25 Ų | 37.25 | 53.6 Ų | 53.6 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -83.4 | -17.2 | 175 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | Q965 N968 P969 | Q965-S971 PolarHBondContact O-OG 2.92Å; N968-S971 WeakPolarHBondContact O-CB 3.2Å; N968-S971 PolarHBondContact O-N 3.18Å; N968-S971 VanDerWaalsContact O-N 3.09Å; N968-S971 PolarHBondContact O-OG 3.05Å; P969-S971 VanDerWaalsContact C-N 3.27Å; P969-S971 PolarHBondContact O-N 2.82Å; P969-S971 VanDerWaalsContact O-N 3.12Å |
| 972 | L | 57.6 | Low | 66.3 | Low | 41.5 Ų | 41.5 | 50.6 Ų | 50.6 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -19.2 | -176.8 | -76.1 | 165.9 | 0 | 0 | 0 | 113.6 | L957 L966 P969 L970 | L957-L972 PolarHBondContact N-O 3.06Å; L957-L972 VanDerWaalsContact N-O 3.14Å; L966-L972 HydrophobicContact CD1-CD1 4.43Å; L966-L972 HydrophobicContact CD1-CD2 4.23Å; L966-L972 HydrophobicContact CD2-CD1 3.84Å; L966-L972 VanDerWaalsContact CD2-CD1 3.48Å; L966-L972 HydrophobicContact CD2-CD2 3.69Å; L966-L972 HydrophobicContact CD2-CG 4.1Å; P969-L972 PolarHBondContact O-N 2.98Å; L970-L972 VanDerWaalsContact C-N 3.31Å |
| 973 | S | 61.9 | Low | 68.4 | Low | 3.5 Ų | 3.5 | 48.1 Ų | 48.1 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.5 | -173.6 | 58.8 | 0 | 0 | 0 | 0 | 112 | T792 G955 P969 V975 | T792-S973 WeakPolarHBondContact CG2-OG 3.45Å; T792-S973 PolarHBondContact OG1-OG 3.09Å; G955-S973 CarbonylContact O-C 3.54Å; G955-S973 VanDerWaalsContact O-CA 3.29Å; G955-S973 WeakPolarHBondContact O-CA 3.37Å; G955-S973 WeakPolarHBondContact O-CB 3.37Å; P969-S973 PolarHBondContact O-N 3.03Å; P969-S973 PolarHBondContact O-OG 2.99Å; P969-S973 VanDerWaalsContact O-OG 3.07Å; S973-V975 PolarHBondContact O-N 3.11Å |
| 974 | A | 69.4 | Low | 70.1 | Confident | 3.75 Ų | 3.75 | 45.1 Ų | 45.1 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 115.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | C954 G955 L957 P1164 | C954-A974 WeakPolarHBondContact CA-O 3.41Å; G955-A974 PolarHBondContact N-O 3.03Å; G955-A974 VanDerWaalsContact N-O 3.16Å; G955-A974 PolarHBondContact O-N 3.01Å; L957-A974 HydrophobicContact CD1-CB 4.26Å; L957-A974 HydrophobicContact CD2-CB 4.13Å; L957-A974 HydrophobicContact CG-CB 4.22Å; A974-P1164 HydrophobicContact CB-CG 4.12Å |
| 975 | V | 80.4 | Confident | 71.7 | Confident | 0.25 Ų | 0.25 | 38.4 Ų | 38.4 | 0% | 0.002 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.1 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | T792 L796 Q953 L970 S973 Q1020 I1021 | T792-V975 HydrophobicContact CG2-CG2 3.67Å; L796-V975 HydrophobicContact CD1-CB 4.31Å; L796-V975 HydrophobicContact CD1-CG1 3.51Å; L796-V975 VanDerWaalsContact CD1-CG1 3.49Å; L796-V975 HydrophobicContact CD1-CG2 3.79Å; L796-V975 HydrophobicContact CD2-CG1 4.45Å; Q953-V975 CarbonylContact O-C 3.52Å; Q953-V975 WeakPolarHBondContact O-CA 3.29Å; L970-V975 HydrophobicContact CD2-CG2 3.94Å; S973-V975 PolarHBondContact O-N 3.11Å; V975-Q1020 WeakPolarHBondContact O-CA 3.32Å; V975-Q1020 PolarHBondContact O-NE2 3.29Å; V975-Q1020 PolarHBondContact O-OE1 3.4Å; V975-I1021 HydrophobicContact CB-CB 4.07Å; V975-I1021 HydrophobicContact CG1-CB 3.89Å; V975-I1021 HydrophobicContact CG1-CD1 4.2Å; V975-I1021 HydrophobicContact CG1-CG1 4.29Å; V975-I1021 PolarHBondContact O-N 2.88Å; V975-I1021 VanDerWaalsContact O-N 3.08Å |
| 976 | S | 85.4 | Confident | 73.4 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.7 | 176 | 2.8 | 0 | 0 | 0 | 0 | 111.2 | Q953 L1019 I1161 S1165 | Q953-S976 VanDerWaalsContact CD-O 3.24Å; Q953-S976 VanDerWaalsContact CG-OG 3.26Å; Q953-S976 WeakPolarHBondContact CG-OG 3.25Å; Q953-S976 PolarHBondContact N-O 3.11Å; Q953-S976 PolarHBondContact NE2-O 2.97Å; Q953-S976 PolarHBondContact NE2-OG 3.04Å; Q953-S976 PolarHBondContact O-N 3.04Å; Q953-S976 PolarHBondContact OE1-OG 3.11Å; Q953-S976 VanDerWaalsContact OE1-OG 3.12Å; S976-L1019 CarbonylContact C-O 3.56Å; S976-L1019 WeakPolarHBondContact CA-O 3.38Å; S976-L1019 VanDerWaalsContact CB-O 3.28Å; S976-L1019 WeakPolarHBondContact CB-O 3.48Å; S976-I1161 WeakPolarHBondContact OG-CG2 3.47Å; S976-S1165 WeakPolarHBondContact CB-OG 3.35Å; S976-S1165 PolarHBondContact OG-OG 3.14Å |
| 977 | V | 87.7 | Confident | 74.9 | Confident | 3.25 Ų | 3.25 | 30.2 Ų | 30.2 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.5 | -179.6 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | L833 L836 T951 I952 I979 L1019 I1021 | L833-V977 HydrophobicContact CD1-CG2 4.29Å; L836-V977 HydrophobicContact CD1-CG1 4.31Å; T951-V977 CarbonylContact O-C 3.51Å; T951-V977 VanDerWaalsContact O-CA 3.25Å; T951-V977 WeakPolarHBondContact O-CA 3.25Å; T951-V977 WeakPolarHBondContact O-CG1 3.4Å; I952-V977 HydrophobicContact CB-CG2 4.5Å; I952-V977 HydrophobicContact CD1-CG2 4.26Å; I952-V977 HydrophobicContact CG1-CB 4.49Å; I952-V977 HydrophobicContact CG1-CG1 4.16Å; I952-V977 HydrophobicContact CG1-CG2 4.08Å; I952-V977 HydrophobicContact CG2-CG2 4.42Å; V977-I979 HydrophobicContact CG1-CG1 4.37Å; V977-L1019 HydrophobicContact CB-CB 4.25Å; V977-L1019 PolarHBondContact N-O 3.03Å; V977-L1019 PolarHBondContact O-N 3.07Å; V977-I1021 HydrophobicContact CG2-CD1 3.63Å; V977-I1021 HydrophobicContact CG2-CG1 4.18Å |
| 978 | G | 88.8 | Confident | 76.3 | Confident | 12 Ų | 12 | 22.4 Ų | 22.4 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K950 T951 Q1017 | K950-G978 CarbonylContact C-O 3.55Å; K950-G978 WeakPolarHBondContact CA-O 3.38Å; T951-G978 PolarHBondContact N-O 3.29Å; T951-G978 PolarHBondContact O-N 3.14Å; T951-G978 VanDerWaalsContact OG1-C 3.23Å; T951-G978 VanDerWaalsContact OG1-CA 3.31Å; T951-G978 WeakPolarHBondContact OG1-CA 3.27Å; T951-G978 PolarHBondContact OG1-N 3.09Å; T951-G978 PolarHBondContact OG1-O 2.89Å; G978-Q1017 CarbonylContact C-O 3.4Å; G978-Q1017 WeakPolarHBondContact CA-O 3.28Å |
| 979 | I | 90.5 | Very high | 77.3 | Confident | 3.75 Ų | 3.75 | 23.2 Ų | 23.2 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.6 | 173 | -60 | 173.3 | 0 | 0 | 0 | 107.1 | I838 C949 V977 V981 F1016 Q1017 L1019 F1040 V1042 | I838-I979 HydrophobicContact CD1-CD1 4.39Å; I838-I979 HydrophobicContact CD1-CG2 3.63Å; C949-I979 CarbonylContact O-C 3.54Å; C949-I979 WeakPolarHBondContact O-CA 3.26Å; V977-I979 HydrophobicContact CG1-CG1 4.37Å; I979-V981 HydrophobicContact CG2-CG2 4.17Å; I979-F1016 CarbonylContact O-C 3.53Å; I979-F1016 WeakPolarHBondContact O-CA 3.26Å; I979-Q1017 HydrophobicContact CB-CB 4.4Å; I979-Q1017 PolarHBondContact N-O 3.13Å; I979-Q1017 PolarHBondContact O-N 3.31Å; I979-L1019 HydrophobicContact CD1-CD1 4.03Å; I979-F1040 HydrophobicContact CB-CE2 4.48Å; I979-F1040 HydrophobicContact CB-CZ 4.39Å; I979-F1040 HydrophobicContact CG2-CE2 3.87Å; I979-F1040 HydrophobicContact CG2-CZ 3.73Å; I979-V1042 HydrophobicContact CD1-CG1 4.25Å; I979-V1042 HydrophobicContact CD1-CG2 3.53Å; I979-V1042 VanDerWaalsContact CD1-CG2 3.5Å |
| 980 | L | 91.6 | Very high | 78.2 | Confident | 68 Ų | 68 | 25.8 Ų | 25.8 | 36% | 0.356 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.7 | 173.2 | 168.8 | 68.7 | 0 | 0 | 0 | 108 | T948 C949 V982 E1015 F1016 | T948-L980 CarbonylContact C-O 3.52Å; T948-L980 WeakPolarHBondContact CA-O 3.36Å; C949-L980 HydrophobicContact CB-CB 4.22Å; C949-L980 PolarHBondContact N-O 3.28Å; C949-L980 PolarHBondContact O-N 3.13Å; L980-V982 HydrophobicContact CD1-CG2 4.24Å; L980-V982 HydrophobicContact CD2-CG2 4.35Å; L980-V982 HydrophobicContact CG-CG2 4.16Å; L980-E1015 CarbonylContact C-O 3.52Å; L980-E1015 WeakPolarHBondContact CA-O 3.36Å; L980-F1016 HydrophobicContact CD1-CB 4.09Å |
| 981 | V | 89.4 | Confident | 78.8 | Confident | 4.75 Ų | 4.75 | 26.8 Ų | 26.8 | 3% | 0.029 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120.4 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | I838 I947 T948 I979 Y983 A1014 E1015 F1040 | I838-V981 HydrophobicContact CG2-CG2 4.48Å; I947-V981 CarbonylContact O-C 3.54Å; I947-V981 WeakPolarHBondContact O-CA 3.35Å; T948-V981 HydrophobicContact CG2-CG2 4.33Å; I979-V981 HydrophobicContact CG2-CG2 4.17Å; V981-Y983 HydrophobicContact CB-CE2 4.13Å; V981-Y983 HydrophobicContact CG1-CD1 4.38Å; V981-Y983 HydrophobicContact CG1-CD2 4.23Å; V981-Y983 HydrophobicContact CG1-CE1 3.87Å; V981-Y983 HydrophobicContact CG1-CE2 3.7Å; V981-Y983 HydrophobicContact CG1-CG 4.45Å; V981-Y983 VanDerWaalsContact CG1-CZ 3.47Å; V981-A1014 CarbonylContact O-C 3.52Å; V981-A1014 VanDerWaalsContact O-CA 3.31Å; V981-A1014 WeakPolarHBondContact O-CA 3.37Å; V981-E1015 PolarHBondContact N-O 3.05Å; V981-E1015 PolarHBondContact O-N 3.16Å; V981-F1040 HydrophobicContact CB-CD1 4.25Å; V981-F1040 HydrophobicContact CB-CE1 4.13Å; V981-F1040 HydrophobicContact CG2-CD1 3.81Å; V981-F1040 HydrophobicContact CG2-CE1 3.66Å; V981-F1040 HydrophobicContact CG2-CG 4.4Å; V981-F1040 HydrophobicContact CG2-CZ 4.2Å |
| 982 | V | 88.1 | Confident | 79.2 | Confident | 19.25 Ų | 19.25 | 26.5 Ų | 26.5 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.6 | 177.5 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | A946 I947 L980 P985 I1011 A1014 | A946-V982 CarbonylContact C-O 3.53Å; A946-V982 VanDerWaalsContact CA-O 3.23Å; A946-V982 WeakPolarHBondContact CA-O 3.31Å; I947-V982 HydrophobicContact CB-CB 4.3Å; I947-V982 PolarHBondContact N-O 3.03Å; I947-V982 PolarHBondContact O-N 2.9Å; L980-V982 HydrophobicContact CD1-CG2 4.24Å; L980-V982 HydrophobicContact CD2-CG2 4.35Å; L980-V982 HydrophobicContact CG-CG2 4.16Å; V982-P985 HydrophobicContact CG1-CB 4.33Å; V982-P985 HydrophobicContact CG1-CG 4.37Å; V982-I1011 HydrophobicContact CG1-CB 4.35Å; V982-I1011 HydrophobicContact CG1-CD1 3.8Å; V982-I1011 HydrophobicContact CG1-CG1 3.81Å; V982-I1011 HydrophobicContact CG1-CG2 3.62Å; V982-A1014 HydrophobicContact CG2-CB 4.28Å |
| 983 | Y | 85.5 | Confident | 79.4 | Confident | 45 Ų | 45 | 29.7 Ų | 29.7 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.6 | -175.9 | -64 | -85.5 | 0 | 0 | 0 | 111.7 | A946 V981 P985 S1012 R1013 E1015 S1039 | A946-Y983 HydrophobicContact CB-CD1 4.47Å; V981-Y983 HydrophobicContact CB-CE2 4.13Å; V981-Y983 HydrophobicContact CG1-CD1 4.38Å; V981-Y983 HydrophobicContact CG1-CD2 4.23Å; V981-Y983 HydrophobicContact CG1-CE1 3.87Å; V981-Y983 HydrophobicContact CG1-CE2 3.7Å; V981-Y983 HydrophobicContact CG1-CG 4.45Å; V981-Y983 VanDerWaalsContact CG1-CZ 3.47Å; Y983-P985 VanDerWaalsContact C-CD 3.44Å; Y983-S1012 VanDerWaalsContact C-OG 3.3Å; Y983-S1012 WeakPolarHBondContact CB-OG 3.45Å; Y983-S1012 PolarHBondContact O-N 3.1Å; Y983-S1012 PolarHBondContact O-OG 3.17Å; Y983-S1012 VanDerWaalsContact O-OG 3.07Å; Y983-R1013 WeakPolarHBondContact CB-O 3.27Å; Y983-R1013 HydrophobicContact CD2-CB 4.13Å; Y983-R1013 HydrophobicContact CD2-CG 4.25Å; Y983-R1013 WeakPolarHBondContact CD2-O 3.41Å; Y983-R1013 HydrophobicContact CG-CB 4.47Å; Y983-R1013 PolarHBondContact N-O 3.31Å; Y983-E1015 HydrophobicContact CE2-CB 4.29Å; Y983-E1015 HydrophobicContact CE2-CG 4.12Å; Y983-S1039 PolarHBondContact OH-OG 3.11Å; Y983-S1039 VanDerWaalsContact OH-OG 3.1Å |
| 984 | A | 77.3 | Confident | 79.2 | Confident | 36.25 Ų | 36.25 | 30.2 Ų | 30.2 | 30% | 0.3 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 42.3 | 57.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F849 M944 P945 D986 | F849-A984 HydrophobicContact CD2-CB 4.45Å; M944-A984 VanDerWaalsContact O-CA 3.32Å; M944-A984 WeakPolarHBondContact O-CA 3.24Å; P945-A984 WeakPolarHBondContact O-CA 3.23Å; P945-A984 PolarHBondContact O-N 3.04Å; A984-D986 PolarHBondContact O-N 3.05Å; A984-D986 VanDerWaalsContact O-N 3.14Å |
| 985 | P | 77.2 | Confident | 78.5 | Confident | 2.75 Ų | 2.75 | 34.4 Ų | 34.4 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 111.8 | 167.1 | 27.8 | -33.3 | 0 | 0 | 0 | 110.1 | M944 I947 V982 Y983 F1009 D1010 I1011 | M944-P985 HydrophobicContact CB-CG 4.23Å; M944-P985 HydrophobicContact CE-CG 4.16Å; M944-P985 HydrophobicContact CG-CG 3.5Å; M944-P985 VanDerWaalsContact CG-CG 3.46Å; M944-P985 PolarHBondContact N-O 2.85Å; M944-P985 VanDerWaalsContact N-O 3.15Å; M944-P985 VanDerWaalsContact O-CD 3.27Å; M944-P985 WeakPolarHBondContact O-CD 3.32Å; M944-P985 HydrophobicContact SD-CG 4.18Å; I947-P985 HydrophobicContact CD1-CG 3.97Å; I947-P985 HydrophobicContact CG1-CG 4.14Å; V982-P985 HydrophobicContact CG1-CB 4.33Å; V982-P985 HydrophobicContact CG1-CG 4.37Å; Y983-P985 VanDerWaalsContact C-CD 3.44Å; P985-F1009 HydrophobicContact CB-CE1 4.32Å; P985-F1009 HydrophobicContact CB-CE2 4.15Å; P985-F1009 HydrophobicContact CB-CZ 3.79Å; P985-D1010 WeakPolarHBondContact CA-O 3.23Å; P985-I1011 HydrophobicContact CB-CG1 4.17Å |
| 986 | D | 79.7 | Confident | 77.1 | Confident | 39.5 Ų | 39.5 | 39.1 Ų | 39.1 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.6 | 169.4 | -143.4 | -7.6 | 0 | 0 | 0 | 108.9 | R941 I942 A943 A984 H988 F1009 D1010 | R941-D986 IonicContact CZ-OD1 3.8Å; R941-D986 IonicContact CZ-OD2 2.67Å; R941-D986 IonicContact NE-OD1 3.22Å; R941-D986 PolarHBondContact NE-OD1 3.11Å; R941-D986 IonicContact NE-OD2 2.89Å; R941-D986 PolarHBondContact NE-OD2 2.85Å; R941-D986 IonicContact NH2-OD1 3.72Å; R941-D986 IonicContact NH2-OD2 3.15Å; R941-D986 PolarHBondContact NH2-OD2 2.89Å; I942-D986 CarbonylContact O-C 3.49Å; I942-D986 WeakPolarHBondContact O-CA 3.37Å; I942-D986 VanDerWaalsContact O-OD1 3.06Å; A943-D986 VanDerWaalsContact CA-OD1 3.22Å; A943-D986 WeakPolarHBondContact CA-OD1 3.46Å; A943-D986 WeakPolarHBondContact CB-OD1 3.24Å; A984-D986 PolarHBondContact O-N 3.05Å; A984-D986 VanDerWaalsContact O-N 3.14Å; D986-H988 IonicContact OD1-CD2 3.81Å; D986-H988 IonicContact OD1-CE1 3.33Å; D986-H988 PolarHBondContact OD1-CE1 3.35Å; D986-H988 IonicContact OD1-ND1 3.73Å; D986-H988 PolarHBondContact OD1-ND1 2.6Å; D986-H988 IonicContact OD1-NE2 2.77Å; D986-H988 IonicContact OD2-CE1 2.99Å; D986-H988 PolarHBondContact OD2-CE1 3.32Å; D986-H988 VanDerWaalsContact OD2-CE1 3.28Å; D986-H988 IonicContact OD2-NE2 2.89Å; D986-F1009 CarbonylContact O-C 3.51Å; D986-F1009 WeakPolarHBondContact O-CA 3.39Å; D986-D1010 PolarHBondContact N-O 3.15Å; D986-D1010 PolarHBondContact O-N 3.02Å |
| 987 | G | 79.6 | Confident | 75.2 | Confident | 1.5 Ų | 1.5 | 47.5 Ų | 47.5 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R941 I942 S1008 | R941-G987 CarbonylContact C-O 3.57Å; R941-G987 VanDerWaalsContact CA-O 3.28Å; R941-G987 WeakPolarHBondContact CA-O 3.34Å; I942-G987 PolarHBondContact N-O 3.08Å; I942-G987 PolarHBondContact O-N 2.91Å; G987-S1008 CarbonylContact C-O 3.53Å; G987-S1008 WeakPolarHBondContact CA-O 3.31Å |
| 988 | H | 81.5 | Confident | 73.2 | Confident | 67.5 Ų | 67.5 | 50.1 Ų | 50.1 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.8 | 173.8 | -46.6 | -66.7 | 0 | 0 | 0 | 109.4 | F940 R941 D986 G1007 S1008 | F940-H988 CarbonylContact O-C 3.54Å; F940-H988 WeakPolarHBondContact O-CA 3.28Å; R941-H988 WeakPolarHBondContact CG-ND1 3.36Å; R941-H988 PolarHBondContact NE-CE1 2.82Å; R941-H988 VanDerWaalsContact NE-CE1 3.31Å; R941-H988 PolarHBondContact NE-NE2 2.88Å; R941-H988 PolarHBondContact NH2-CE1 2.89Å; R941-H988 PolarHBondContact NH2-NE2 2.8Å; D986-H988 IonicContact OD1-CD2 3.81Å; D986-H988 IonicContact OD1-CE1 3.33Å; D986-H988 PolarHBondContact OD1-CE1 3.35Å; D986-H988 IonicContact OD1-ND1 3.73Å; D986-H988 PolarHBondContact OD1-ND1 2.6Å; D986-H988 IonicContact OD1-NE2 2.77Å; D986-H988 IonicContact OD2-CE1 2.99Å; D986-H988 PolarHBondContact OD2-CE1 3.32Å; D986-H988 VanDerWaalsContact OD2-CE1 3.28Å; D986-H988 IonicContact OD2-NE2 2.89Å; H988-G1007 CarbonylContact O-C 3.53Å; H988-G1007 VanDerWaalsContact O-CA 3.23Å; H988-G1007 WeakPolarHBondContact O-CA 3.37Å; H988-S1008 PolarHBondContact CE1-OG 2.82Å; H988-S1008 PolarHBondContact N-O 3.11Å; H988-S1008 PolarHBondContact ND1-OG 3.37Å; H988-S1008 VanDerWaalsContact ND1-OG 3.09Å; H988-S1008 PolarHBondContact O-N 3.08Å |
| 989 | F | 78.3 | Confident | 71.3 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.9 | 171.7 | -62.7 | -93.8 | 0 | 0 | 0 | 108.9 | R939 F940 I942 F1009 V1070 | R939-F989 CarbonylContact C-O 3.56Å; R939-F989 VanDerWaalsContact CA-O 3.25Å; R939-F989 WeakPolarHBondContact CA-O 3.39Å; R939-F989 WeakPolarHBondContact CG-O 3.39Å; F940-F989 HydrophobicContact CB-CB 4.28Å; F940-F989 AromaticContact CD1-CD2 3.85Å; F940-F989 HydrophobicContact CD1-CD2 3.98Å; F940-F989 HydrophobicContact CD1-CE2 4.34Å; F940-F989 PolarHBondContact N-O 2.91Å; F940-F989 PolarHBondContact O-N 3.01Å; I942-F989 HydrophobicContact CD1-CE2 4.04Å; F989-F1009 HydrophobicContact CD2-CZ 4.45Å; F989-F1009 AromaticContact CE1-CE2 3.99Å; F989-F1009 HydrophobicContact CE1-CE2 3.99Å; F989-F1009 HydrophobicContact CE1-CZ 4.46Å; F989-F1009 HydrophobicContact CE2-CD2 4.47Å; F989-F1009 AromaticContact CE2-CE1 3.97Å; F989-F1009 HydrophobicContact CE2-CE1 3.97Å; F989-F1009 AromaticContact CE2-CE2 3.5Å; F989-F1009 HydrophobicContact CE2-CE2 3.5Å; F989-F1009 VanDerWaalsContact CE2-CE2 3.5Å; F989-F1009 AromaticContact CE2-CZ 3.18Å; F989-F1009 HydrophobicContact CE2-CZ 3.18Å; F989-F1009 HydrophobicContact CZ-CD2 4.16Å; F989-F1009 HydrophobicContact CZ-CE1 4.37Å; F989-F1009 AromaticContact CZ-CE2 3.08Å; F989-F1009 HydrophobicContact CZ-CE2 3.08Å; F989-F1009 AromaticContact CZ-CZ 3.22Å; F989-F1009 HydrophobicContact CZ-CZ 3.22Å; F989-V1070 HydrophobicContact CE1-CG2 4.39Å |
| 990 | Q | 76.2 | Confident | 69.1 | Low | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.7 | 178.4 | -175.5 | 173.3 | -3.2 | 0 | 0 | 109.4 | R939 L1005 S1006 | R939-Q990 HydrophobicContact CB-CB 4.23Å; R939-Q990 HydrophobicContact CB-CG 4.18Å; R939-Q990 HydrophobicContact CG-CB 4.19Å; R939-Q990 HydrophobicContact CG-CG 4.16Å; Q990-L1005 CarbonylContact O-C 3.49Å; Q990-L1005 WeakPolarHBondContact O-CA 3.44Å; Q990-S1006 PolarHBondContact N-O 3.18Å; Q990-S1006 PolarHBondContact O-N 3.07Å; Q990-S1006 VanDerWaalsContact O-O 3.1Å; Q990-S1006 PolarHBondContact O-OG 3.21Å |
| 991 | A | 70.3 | Confident | 67.3 | Low | 31.5 Ų | 31.5 | 56.9 Ų | 56.9 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L937 G938 K1004 L1005 | L937-A991 WeakPolarHBondContact O-CB 3.36Å; G938-A991 PolarHBondContact O-N 2.9Å; A991-K1004 WeakPolarHBondContact CA-O 3.44Å; A991-L1005 HydrophobicContact CB-CD1 4.44Å; A991-L1005 HydrophobicContact CB-CD2 3.91Å; A991-L1005 HydrophobicContact CB-CG 4.33Å |
| 992 | S | 67.2 | Low | 65.7 | Low | 32.5 Ų | 32.5 | 60.2 Ų | 60.2 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.7 | 176.7 | 58.6 | 0 | 0 | 0 | 0 | 110.9 | R1003 K1004 | S992-R1003 WeakPolarHBondContact O-CA 3.28Å; S992-K1004 PolarHBondContact N-O 2.84Å; S992-K1004 PolarHBondContact O-N 3.04Å; S992-K1004 VanDerWaalsContact O-N 3.1Å; S992-K1004 PolarHBondContact OG-O 3.07Å |
| 993 | P | 61.3 | Low | 64.6 | Low | 108 Ų | 108 | 62.9 Ų | 62.9 | 70% | 0.701 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 150.1 | 165.1 | 29.1 | -32.2 | 0 | 0 | 0 | 110 | ||
| 994 | G | 58 | Low | 63.9 | Low | 13 Ų | 13 | 64.6 Ų | 64.6 | 13% | 0.134 | 38% | 0.38 | C | S | . | . | trans | -58 | 152.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D996 T1001 Y1002 | G994-D996 VanDerWaalsContact C-N 3.28Å; G994-D996 PolarHBondContact O-N 2.94Å; G994-D996 VanDerWaalsContact O-N 3.14Å; G994-T1001 PolarHBondContact N-O 2.72Å; G994-Y1002 WeakPolarHBondContact CA-O 3.13Å; G994-Y1002 PolarHBondContact N-O 2.99Å; G994-Y1002 VanDerWaalsContact N-O 3.16Å | ||
| 995 | A | 55.1 | Low | 63.8 | Low | 92.25 Ų | 92.25 | 65.1 Ų | 65.1 | 76% | 0.762 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -69.3 | -12.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 996 | D | 50.5 | Low | 64.1 | Low | 100 Ų | 100 | 66.9 Ų | 66.9 | 54% | 0.535 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -91.2 | 121.9 | -177.7 | -58.5 | -49.8 | 0 | 0 | 0 | 110.5 | G994 A998 T1001 Y1002 | G994-D996 VanDerWaalsContact C-N 3.28Å; G994-D996 PolarHBondContact O-N 2.94Å; G994-D996 VanDerWaalsContact O-N 3.14Å; D996-A998 CarbonylContact O-C 3.6Å; D996-A998 PolarHBondContact O-N 2.93Å; D996-A998 VanDerWaalsContact O-O 3.07Å; D996-T1001 HydrophobicContact CB-CG2 4.01Å; D996-T1001 WeakPolarHBondContact O-CG2 3.24Å; D996-T1001 PolarHBondContact O-OG1 3.01Å; D996-T1001 VanDerWaalsContact O-OG1 3.14Å; D996-Y1002 PolarHBondContact OD2-OH 3.33Å |
| 997 | N | 44.6 | Very low | 64.2 | Low | 178 Ų | 178 | 65.4 Ų | 65.4 | 95% | 0.952 | 38% | 0.383 | S | S | * | . | trans | -63.3 | 19.3 | -172.4 | -71.5 | -44 | 0 | 0 | 0 | 116.3 | ||||
| 998 | A | 47.1 | Very low | 64.5 | Low | 57.5 Ų | 57.5 | 66.4 Ų | 66.4 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -90.2 | 131 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | D996 D1000 T1001 | D996-A998 CarbonylContact O-C 3.6Å; D996-A998 PolarHBondContact O-N 2.93Å; D996-A998 VanDerWaalsContact O-O 3.07Å; A998-D1000 PolarHBondContact O-N 3.05Å; A998-T1001 HydrophobicContact CB-CG2 4.27Å; A998-T1001 WeakPolarHBondContact O-CG2 3.46Å; A998-T1001 PolarHBondContact O-N 2.96Å; A998-T1001 PolarHBondContact O-OG1 3.16Å |
| 999 | A | 47.8 | Very low | 64.6 | Low | 95.5 Ų | 95.5 | 66 Ų | 66 | 79% | 0.789 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 5.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R930 | R930-A999 PolarHBondContact NH1-O 2.82Å; R930-A999 PolarHBondContact NH2-O 2.82Å |
| 1000 | D | 46 | Very low | 64.9 | Low | 92.5 Ų | 92.5 | 65.9 Ų | 65.9 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 6.1 | -174.9 | -63.4 | -42.7 | 0 | 0 | 0 | 113.5 | R930 A998 I1078 | R930-D1000 IonicContact NH2-OD1 3.9Å; R930-D1000 PolarHBondContact NH2-OD1 2.83Å; A998-D1000 PolarHBondContact O-N 3.05Å; D1000-I1078 HydrophobicContact CB-CD1 4.02Å; D1000-I1078 HydrophobicContact CB-CG1 4.18Å |
| 1001 | T | 52.2 | Low | 65.3 | Low | 38.2 Ų | 38.2 | 63.4 Ų | 63.4 | 23% | 0.234 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 140 | -175.2 | 41.9 | 0 | 0 | 0 | 0 | 114.2 | G994 D996 A998 L1077 | G994-T1001 PolarHBondContact N-O 2.72Å; D996-T1001 HydrophobicContact CB-CG2 4.01Å; D996-T1001 WeakPolarHBondContact O-CG2 3.24Å; D996-T1001 PolarHBondContact O-OG1 3.01Å; D996-T1001 VanDerWaalsContact O-OG1 3.14Å; A998-T1001 HydrophobicContact CB-CG2 4.27Å; A998-T1001 WeakPolarHBondContact O-CG2 3.46Å; A998-T1001 PolarHBondContact O-N 2.96Å; A998-T1001 PolarHBondContact O-OG1 3.16Å; T1001-L1077 WeakPolarHBondContact O-CD1 3.26Å |
| 1002 | Y | 56.9 | Low | 66 | Low | 75.4 Ų | 75.4 | 64.8 Ų | 64.8 | 30% | 0.296 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -44.1 | 146.9 | 170.8 | 33.9 | -90.2 | 0 | 0 | 0 | 113.5 | G994 D996 S1074 P1076 F1128 | G994-Y1002 WeakPolarHBondContact CA-O 3.13Å; G994-Y1002 PolarHBondContact N-O 2.99Å; G994-Y1002 VanDerWaalsContact N-O 3.16Å; D996-Y1002 PolarHBondContact OD2-OH 3.33Å; Y1002-S1074 VanDerWaalsContact CB-O 3.28Å; Y1002-S1074 WeakPolarHBondContact CB-O 3.3Å; Y1002-S1074 WeakPolarHBondContact CD1-O 3.37Å; Y1002-P1076 HydrophobicContact CE1-CB 3.86Å; Y1002-P1076 HydrophobicContact CE1-CG 4.05Å; Y1002-F1128 AromaticContact CD1-CE1 3.62Å; Y1002-F1128 HydrophobicContact CD1-CE1 4.03Å; Y1002-F1128 HydrophobicContact CD1-CZ 4.22Å; Y1002-F1128 HydrophobicContact CD2-CE1 4.38Å; Y1002-F1128 HydrophobicContact CE1-CE1 4.27Å; Y1002-F1128 HydrophobicContact CG-CD1 4.4Å; Y1002-F1128 AromaticContact CG-CE1 3.69Å; Y1002-F1128 HydrophobicContact CG-CE1 4.12Å |
| 1003 | R | 63.5 | Low | 67 | Low | 74.8 Ų | 74.8 | 67.3 Ų | 67.3 | 28% | 0.282 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.7 | 173.5 | -63.5 | -176.3 | -179.8 | 179.1 | 8.3 | 110.3 | R930 G932 W933 P934 S992 R1073 S1074 | R930-R1003 VanDerWaalsContact CD-NH2 3.31Å; G932-R1003 PolarHBondContact O-NH1 3Å; G932-R1003 VanDerWaalsContact O-NH1 3.14Å; W933-R1003 VanDerWaalsContact O-CZ 3.32Å; W933-R1003 PolarHBondContact O-NH1 3.01Å; W933-R1003 PolarHBondContact O-NH2 2.81Å; W933-R1003 VanDerWaalsContact O-NH2 3.12Å; P934-R1003 PolarHBondContact O-NH1 3.31Å; S992-R1003 WeakPolarHBondContact O-CA 3.28Å; R1003-R1073 WeakPolarHBondContact O-CA 3.39Å; R1003-S1074 WeakPolarHBondContact CB-OG 3.32Å; R1003-S1074 PolarHBondContact N-OG 3.07Å; R1003-S1074 VanDerWaalsContact N-OG 3.08Å; R1003-S1074 PolarHBondContact O-N 2.99Å; R1003-S1074 PolarHBondContact O-OG 3.04Å; R1003-S1074 VanDerWaalsContact O-OG 3.09Å |
| 1004 | K | 72.1 | Confident | 68.3 | Low | 81.6 Ų | 81.6 | 62.6 Ų | 62.6 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.3 | 172.3 | -174.1 | 179.8 | 179 | -175.4 | 0 | 108.8 | A991 S992 H1072 R1073 | A991-K1004 WeakPolarHBondContact CA-O 3.44Å; S992-K1004 PolarHBondContact N-O 2.84Å; S992-K1004 PolarHBondContact O-N 3.04Å; S992-K1004 VanDerWaalsContact O-N 3.1Å; S992-K1004 PolarHBondContact OG-O 3.07Å; K1004-H1072 CarbonylContact C-O 3.41Å; K1004-H1072 WeakPolarHBondContact CA-O 3.36Å; K1004-R1073 HydrophobicContact CG-CG 4.28Å |
| 1005 | L | 75.5 | Confident | 69.8 | Low | 46.8 Ų | 46.8 | 61.9 Ų | 61.9 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.8 | 162.4 | -111 | 129.1 | 0 | 0 | 0 | 107.8 | W933 Q990 A991 V1070 S1071 H1072 | W933-L1005 HydrophobicContact CD2-CD1 3.94Å; W933-L1005 HydrophobicContact CE3-CD1 3.93Å; W933-L1005 HydrophobicContact CE3-CD2 4.12Å; W933-L1005 HydrophobicContact CG-CD1 4.22Å; W933-L1005 HydrophobicContact CH2-CB 3.87Å; W933-L1005 HydrophobicContact CH2-CD1 3.91Å; W933-L1005 HydrophobicContact CH2-CD2 3.75Å; W933-L1005 HydrophobicContact CH2-CG 4.13Å; W933-L1005 HydrophobicContact CZ2-CD1 3.8Å; W933-L1005 VanDerWaalsContact CZ2-CD1 3.45Å; W933-L1005 HydrophobicContact CZ3-CB 3.78Å; W933-L1005 HydrophobicContact CZ3-CD1 3.81Å; W933-L1005 HydrophobicContact CZ3-CD2 3.8Å; W933-L1005 VanDerWaalsContact CZ3-CD2 3.43Å; W933-L1005 HydrophobicContact CZ3-CG 4.09Å; Q990-L1005 CarbonylContact O-C 3.49Å; Q990-L1005 WeakPolarHBondContact O-CA 3.44Å; A991-L1005 HydrophobicContact CB-CD1 4.44Å; A991-L1005 HydrophobicContact CB-CD2 3.91Å; A991-L1005 HydrophobicContact CB-CG 4.33Å; L1005-V1070 HydrophobicContact CD2-CG1 4.37Å; L1005-S1071 CarbonylContact O-C 3.56Å; L1005-S1071 VanDerWaalsContact O-CA 3.29Å; L1005-S1071 WeakPolarHBondContact O-CA 3.35Å; L1005-H1072 HydrophobicContact CB-CB 4.3Å; L1005-H1072 PolarHBondContact N-O 3.08Å; L1005-H1072 PolarHBondContact O-N 2.99Å |
| 1006 | S | 82.1 | Confident | 71.5 | Confident | 39.6 Ų | 39.6 | 60.4 Ų | 60.4 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.1 | 170.6 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | Q990 V1070 | Q990-S1006 PolarHBondContact N-O 3.18Å; Q990-S1006 PolarHBondContact O-N 3.07Å; Q990-S1006 VanDerWaalsContact O-O 3.1Å; Q990-S1006 PolarHBondContact O-OG 3.21Å; S1006-V1070 CarbonylContact C-O 3.56Å; S1006-V1070 VanDerWaalsContact CA-O 3.27Å; S1006-V1070 WeakPolarHBondContact CA-O 3.29Å |
| 1007 | G | 82.4 | Confident | 73.4 | Confident | 7.2 Ų | 7.2 | 55.8 Ų | 55.8 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | H988 T1069 V1070 | H988-G1007 CarbonylContact O-C 3.53Å; H988-G1007 VanDerWaalsContact O-CA 3.23Å; H988-G1007 WeakPolarHBondContact O-CA 3.37Å; G1007-T1069 CarbonylContact O-C 3.54Å; G1007-T1069 VanDerWaalsContact O-CA 3.28Å; G1007-T1069 WeakPolarHBondContact O-CA 3.41Å; G1007-V1070 PolarHBondContact N-O 2.96Å; G1007-V1070 PolarHBondContact O-N 3.06Å |
| 1008 | S | 85.1 | Confident | 75.4 | Confident | 23.2 Ų | 23.2 | 49 Ų | 49 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.9 | 162.9 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | G987 H988 D1010 L1068 T1069 | G987-S1008 CarbonylContact C-O 3.53Å; G987-S1008 WeakPolarHBondContact CA-O 3.31Å; H988-S1008 PolarHBondContact CE1-OG 2.82Å; H988-S1008 PolarHBondContact N-O 3.11Å; H988-S1008 PolarHBondContact ND1-OG 3.37Å; H988-S1008 VanDerWaalsContact ND1-OG 3.09Å; H988-S1008 PolarHBondContact O-N 3.08Å; S1008-D1010 WeakPolarHBondContact CB-OD2 3.4Å; S1008-D1010 PolarHBondContact OG-OD2 2.96Å; S1008-L1068 CarbonylContact C-O 3.52Å; S1008-L1068 VanDerWaalsContact CA-O 3.27Å; S1008-L1068 WeakPolarHBondContact CA-O 3.36Å; S1008-L1068 PolarHBondContact OG-O 3.11Å; S1008-T1069 WeakPolarHBondContact OG-CA 3.31Å; S1008-T1069 VanDerWaalsContact OG-CB 3.26Å; S1008-T1069 WeakPolarHBondContact OG-CB 3.41Å; S1008-T1069 WeakPolarHBondContact OG-CG2 3.48Å |
| 1009 | F | 84.8 | Confident | 77.2 | Confident | 59.4 Ų | 59.4 | 46.4 Ų | 46.4 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 112.5 | 167 | -158.3 | -104.1 | 0 | 0 | 0 | 108.7 | I942 P985 D986 F989 I1011 N1067 L1068 | I942-F1009 HydrophobicContact CD1-CE1 4.08Å; I942-F1009 HydrophobicContact CD1-CZ 4.25Å; P985-F1009 HydrophobicContact CB-CE1 4.32Å; P985-F1009 HydrophobicContact CB-CE2 4.15Å; P985-F1009 HydrophobicContact CB-CZ 3.79Å; D986-F1009 CarbonylContact O-C 3.51Å; D986-F1009 WeakPolarHBondContact O-CA 3.39Å; F989-F1009 HydrophobicContact CD2-CZ 4.45Å; F989-F1009 AromaticContact CE1-CE2 3.99Å; F989-F1009 HydrophobicContact CE1-CE2 3.99Å; F989-F1009 HydrophobicContact CE1-CZ 4.46Å; F989-F1009 HydrophobicContact CE2-CD2 4.47Å; F989-F1009 AromaticContact CE2-CE1 3.97Å; F989-F1009 HydrophobicContact CE2-CE1 3.97Å; F989-F1009 AromaticContact CE2-CE2 3.5Å; F989-F1009 HydrophobicContact CE2-CE2 3.5Å; F989-F1009 VanDerWaalsContact CE2-CE2 3.5Å; F989-F1009 AromaticContact CE2-CZ 3.18Å; F989-F1009 HydrophobicContact CE2-CZ 3.18Å; F989-F1009 HydrophobicContact CZ-CD2 4.16Å; F989-F1009 HydrophobicContact CZ-CE1 4.37Å; F989-F1009 AromaticContact CZ-CE2 3.08Å; F989-F1009 HydrophobicContact CZ-CE2 3.08Å; F989-F1009 AromaticContact CZ-CZ 3.22Å; F989-F1009 HydrophobicContact CZ-CZ 3.22Å; F1009-I1011 HydrophobicContact CD1-CD1 4.33Å; F1009-I1011 HydrophobicContact CD1-CG1 4.34Å; F1009-I1011 HydrophobicContact CE1-CD1 3.66Å; F1009-I1011 HydrophobicContact CE1-CG1 3.8Å; F1009-I1011 HydrophobicContact CZ-CD1 4.21Å; F1009-I1011 HydrophobicContact CZ-CG1 4.23Å; F1009-N1067 WeakPolarHBondContact O-CA 3.19Å; F1009-L1068 HydrophobicContact CB-CB 4.39Å; F1009-L1068 HydrophobicContact CD2-CD2 4.13Å; F1009-L1068 PolarHBondContact N-O 3.08Å; F1009-L1068 PolarHBondContact O-N 3.09Å |
| 1010 | D | 84.3 | Confident | 78.9 | Confident | 63 Ų | 63 | 42.6 Ų | 42.6 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.1 | -176.5 | -76.6 | -69.4 | 0 | 0 | 0 | 109.5 | P985 D986 S1008 L1066 N1067 | P985-D1010 WeakPolarHBondContact CA-O 3.23Å; D986-D1010 PolarHBondContact N-O 3.15Å; D986-D1010 PolarHBondContact O-N 3.02Å; S1008-D1010 WeakPolarHBondContact CB-OD2 3.4Å; S1008-D1010 PolarHBondContact OG-OD2 2.96Å; D1010-L1066 CarbonylContact C-O 3.54Å; D1010-N1067 VanDerWaalsContact OD1-CB 3.28Å; D1010-N1067 WeakPolarHBondContact OD1-CB 3.37Å; D1010-N1067 VanDerWaalsContact OD1-CG 3.22Å; D1010-N1067 PolarHBondContact OD1-ND2 3.04Å; D1010-N1067 PolarHBondContact OD1-OD1 2.83Å; D1010-N1067 PolarHBondContact OD2-ND2 3.15Å; D1010-N1067 VanDerWaalsContact OD2-ND2 3.12Å |
| 1011 | I | 85.1 | Confident | 80.5 | Confident | 22.4 Ų | 22.4 | 38.7 Ų | 38.7 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.7 | 171.1 | -69.7 | 165.5 | 0 | 0 | 0 | 107.7 | V982 P985 F1009 R1013 A1014 S1065 L1066 | V982-I1011 HydrophobicContact CG1-CB 4.35Å; V982-I1011 HydrophobicContact CG1-CD1 3.8Å; V982-I1011 HydrophobicContact CG1-CG1 3.81Å; V982-I1011 HydrophobicContact CG1-CG2 3.62Å; P985-I1011 HydrophobicContact CB-CG1 4.17Å; F1009-I1011 HydrophobicContact CD1-CD1 4.33Å; F1009-I1011 HydrophobicContact CD1-CG1 4.34Å; F1009-I1011 HydrophobicContact CE1-CD1 3.66Å; F1009-I1011 HydrophobicContact CE1-CG1 3.8Å; F1009-I1011 HydrophobicContact CZ-CD1 4.21Å; F1009-I1011 HydrophobicContact CZ-CG1 4.23Å; I1011-R1013 VanDerWaalsContact C-N 3.34Å; I1011-R1013 VanDerWaalsContact CG2-O 3.3Å; I1011-R1013 WeakPolarHBondContact CG2-O 3.44Å; I1011-R1013 PolarHBondContact O-N 3.23Å; I1011-A1014 HydrophobicContact CG2-CB 4.26Å; I1011-S1065 CarbonylContact O-C 3.59Å; I1011-S1065 WeakPolarHBondContact O-CA 3.41Å; I1011-L1066 HydrophobicContact CB-CB 4.15Å; I1011-L1066 WeakPolarHBondContact CB-O 3.31Å; I1011-L1066 HydrophobicContact CD1-CB 4.28Å; I1011-L1066 HydrophobicContact CD1-CD1 4.35Å; I1011-L1066 HydrophobicContact CD1-CD2 4.03Å; I1011-L1066 HydrophobicContact CG2-CB 4.35Å; I1011-L1066 PolarHBondContact N-O 3.08Å; I1011-L1066 PolarHBondContact O-N 3.06Å |
| 1012 | S | 84.5 | Confident | 81.6 | Confident | 60 Ų | 60 | 37.3 Ų | 37.3 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | -44.8 | 178.3 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | Y983 S1065 | Y983-S1012 VanDerWaalsContact C-OG 3.3Å; Y983-S1012 WeakPolarHBondContact CB-OG 3.45Å; Y983-S1012 PolarHBondContact O-N 3.1Å; Y983-S1012 PolarHBondContact O-OG 3.17Å; Y983-S1012 VanDerWaalsContact O-OG 3.07Å; S1012-S1065 WeakPolarHBondContact O-CA 3.41Å; S1012-S1065 PolarHBondContact O-N 3.17Å |
| 1013 | R | 87.3 | Confident | 82.2 | Confident | 85.6 Ų | 85.6 | 35.2 Ų | 35.2 | 32% | 0.323 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 140.8 | -178.6 | -176.2 | 170.3 | 178.7 | 161 | -1.7 | 110 | Y983 I1011 E1015 V1062 I1063 N1064 | Y983-R1013 WeakPolarHBondContact CB-O 3.27Å; Y983-R1013 HydrophobicContact CD2-CB 4.13Å; Y983-R1013 HydrophobicContact CD2-CG 4.25Å; Y983-R1013 WeakPolarHBondContact CD2-O 3.41Å; Y983-R1013 HydrophobicContact CG-CB 4.47Å; Y983-R1013 PolarHBondContact N-O 3.31Å; I1011-R1013 VanDerWaalsContact C-N 3.34Å; I1011-R1013 VanDerWaalsContact CG2-O 3.3Å; I1011-R1013 WeakPolarHBondContact CG2-O 3.44Å; I1011-R1013 PolarHBondContact O-N 3.23Å; R1013-E1015 HydrophobicContact CG-CG 4.13Å; R1013-E1015 IonicContact CZ-OE1 2.94Å; R1013-E1015 IonicContact NE-OE1 3.2Å; R1013-E1015 PolarHBondContact NE-OE1 3.17Å; R1013-E1015 IonicContact NH2-OE1 3.04Å; R1013-E1015 PolarHBondContact NH2-OE1 3.06Å; R1013-V1062 HydrophobicContact CG-CG1 4.26Å; R1013-I1063 CarbonylContact C-O 3.5Å; R1013-I1063 VanDerWaalsContact CA-O 3.32Å; R1013-I1063 WeakPolarHBondContact CA-O 3.27Å; R1013-N1064 WeakPolarHBondContact CD-OD1 3.13Å; R1013-N1064 WeakPolarHBondContact CG-OD1 3.29Å |
| 1014 | A | 88.8 | Confident | 82.5 | Confident | 7.6 Ų | 7.6 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V981 V982 I1011 V1062 I1063 L1066 | V981-A1014 CarbonylContact O-C 3.52Å; V981-A1014 VanDerWaalsContact O-CA 3.31Å; V981-A1014 WeakPolarHBondContact O-CA 3.37Å; V982-A1014 HydrophobicContact CG2-CB 4.28Å; I1011-A1014 HydrophobicContact CG2-CB 4.26Å; A1014-V1062 CarbonylContact O-C 3.53Å; A1014-I1063 HydrophobicContact CB-CB 4.36Å; A1014-I1063 PolarHBondContact N-O 3Å; A1014-I1063 PolarHBondContact O-N 2.79Å; A1014-L1066 HydrophobicContact CB-CD1 4.16Å |
| 1015 | E | 90.5 | Very high | 82 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.8 | -178.3 | -64.9 | -161.2 | 148 | 0 | 0 | 110.1 | L980 V981 Y983 R1013 L1038 S1039 F1040 G1061 V1062 | L980-E1015 CarbonylContact C-O 3.52Å; L980-E1015 WeakPolarHBondContact CA-O 3.36Å; V981-E1015 PolarHBondContact N-O 3.05Å; V981-E1015 PolarHBondContact O-N 3.16Å; Y983-E1015 HydrophobicContact CE2-CB 4.29Å; Y983-E1015 HydrophobicContact CE2-CG 4.12Å; R1013-E1015 HydrophobicContact CG-CG 4.13Å; R1013-E1015 IonicContact CZ-OE1 2.94Å; R1013-E1015 IonicContact NE-OE1 3.2Å; R1013-E1015 PolarHBondContact NE-OE1 3.17Å; R1013-E1015 IonicContact NH2-OE1 3.04Å; R1013-E1015 PolarHBondContact NH2-OE1 3.06Å; E1015-L1038 HydrophobicContact CB-CD2 4.24Å; E1015-L1038 HydrophobicContact CG-CD2 4.48Å; E1015-S1039 VanDerWaalsContact CD-OG 3.28Å; E1015-S1039 WeakPolarHBondContact OE1-CB 3.39Å; E1015-S1039 PolarHBondContact OE1-N 3.11Å; E1015-S1039 VanDerWaalsContact OE1-N 3.12Å; E1015-S1039 PolarHBondContact OE1-OG 2.84Å; E1015-S1039 VanDerWaalsContact OE1-OG 3.13Å; E1015-S1039 WeakPolarHBondContact OE2-CB 3.39Å; E1015-S1039 PolarHBondContact OE2-N 3.1Å; E1015-S1039 PolarHBondContact OE2-OG 3.19Å; E1015-F1040 HydrophobicContact CB-CD1 4.29Å; E1015-F1040 HydrophobicContact CB-CE1 3.75Å; E1015-F1040 WeakPolarHBondContact OE2-CD1 3.28Å; E1015-G1061 CarbonylContact C-O 3.59Å; E1015-G1061 WeakPolarHBondContact CA-O 3.32Å; E1015-V1062 HydrophobicContact CG-CG1 4.24Å; E1015-V1062 HydrophobicContact CG-CG2 4.16Å; E1015-V1062 WeakPolarHBondContact OE1-CG2 3.46Å |
| 1016 | F | 91.1 | Very high | 81.4 | Confident | 59.8 Ų | 59.8 | 39.8 Ų | 39.8 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150 | 176.6 | 67.5 | -90.7 | 0 | 0 | 0 | 112.5 | I979 L980 L1038 E1060 G1061 I1063 L1141 | I979-F1016 CarbonylContact O-C 3.53Å; I979-F1016 WeakPolarHBondContact O-CA 3.26Å; L980-F1016 HydrophobicContact CD1-CB 4.09Å; F1016-L1038 WeakPolarHBondContact O-CD1 3.36Å; F1016-E1060 CarbonylContact O-C 3.45Å; F1016-E1060 VanDerWaalsContact O-CA 3.3Å; F1016-E1060 WeakPolarHBondContact O-CA 3.36Å; F1016-G1061 PolarHBondContact N-O 3.12Å; F1016-G1061 PolarHBondContact O-N 2.94Å; F1016-I1063 HydrophobicContact CE1-CD1 4.31Å; F1016-I1063 HydrophobicContact CE1-CG1 4.22Å; F1016-L1141 HydrophobicContact CE1-CD2 3.62Å; F1016-L1141 HydrophobicContact CE2-CD1 3.57Å; F1016-L1141 HydrophobicContact CE2-CG 4.44Å; F1016-L1141 HydrophobicContact CZ-CD1 3.77Å; F1016-L1141 HydrophobicContact CZ-CD2 3.35Å; F1016-L1141 HydrophobicContact CZ-CG 4.01Å |
| 1017 | Q | 88.8 | Confident | 80.2 | Confident | 4.4 Ų | 4.4 | 40.8 Ų | 40.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.3 | 178.6 | -158.5 | 168.8 | 48.5 | 0 | 0 | 109.8 | G978 I979 L1019 S1036 L1038 F1040 V1057 A1059 E1060 | G978-Q1017 CarbonylContact C-O 3.4Å; G978-Q1017 WeakPolarHBondContact CA-O 3.28Å; I979-Q1017 HydrophobicContact CB-CB 4.4Å; I979-Q1017 PolarHBondContact N-O 3.13Å; I979-Q1017 PolarHBondContact O-N 3.31Å; Q1017-L1019 HydrophobicContact CG-CD2 3.82Å; Q1017-L1019 HydrophobicContact CG-CG 4.23Å; Q1017-S1036 PolarHBondContact NE2-OG 3.11Å; Q1017-S1036 VanDerWaalsContact NE2-OG 3.09Å; Q1017-L1038 HydrophobicContact CB-CD1 3.58Å; Q1017-L1038 VanDerWaalsContact CB-CD1 3.5Å; Q1017-L1038 HydrophobicContact CG-CD1 3.88Å; Q1017-F1040 HydrophobicContact CB-CE2 4.43Å; Q1017-F1040 HydrophobicContact CB-CZ 4.17Å; Q1017-V1057 HydrophobicContact CG-CG1 3.81Å; Q1017-V1057 HydrophobicContact CG-CG2 4.47Å; Q1017-V1057 VanDerWaalsContact NE2-CG2 3.27Å; Q1017-A1059 CarbonylContact C-O 3.55Å; Q1017-E1060 HydrophobicContact CG-CB 4.44Å |
| 1018 | L | 87.9 | Confident | 79.2 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.6 | 168 | -176.7 | 65.3 | 0 | 0 | 0 | 108.3 | V1058 A1059 L1162 | L1018-V1058 HydrophobicContact CB-CB 4.33Å; L1018-V1058 HydrophobicContact CD2-CB 4.08Å; L1018-V1058 HydrophobicContact CD2-CG1 3.96Å; L1018-V1058 HydrophobicContact CG-CB 4.09Å; L1018-V1058 HydrophobicContact CG-CG1 4.42Å; L1018-V1058 HydrophobicContact CG-CG2 4.35Å; L1018-V1058 WeakPolarHBondContact O-CB 3.3Å; L1018-V1058 PolarHBondContact O-N 2.92Å; L1018-A1059 HydrophobicContact CB-CB 4.36Å; L1018-A1059 PolarHBondContact N-O 3.02Å; L1018-A1059 PolarHBondContact O-N 2.89Å; L1018-L1162 HydrophobicContact CD2-CD2 3.64Å |
| 1019 | L | 85.1 | Confident | 78 | Confident | 4.2 Ų | 4.2 | 43.4 Ų | 43.4 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142.8 | 177.9 | -57.8 | 174.3 | 0 | 0 | 0 | 109.8 | S976 V977 I979 Q1017 L1033 V1042 V1055 S1056 V1057 | S976-L1019 CarbonylContact C-O 3.56Å; S976-L1019 WeakPolarHBondContact CA-O 3.38Å; S976-L1019 VanDerWaalsContact CB-O 3.28Å; S976-L1019 WeakPolarHBondContact CB-O 3.48Å; V977-L1019 HydrophobicContact CB-CB 4.25Å; V977-L1019 PolarHBondContact N-O 3.03Å; V977-L1019 PolarHBondContact O-N 3.07Å; I979-L1019 HydrophobicContact CD1-CD1 4.03Å; Q1017-L1019 HydrophobicContact CG-CD2 3.82Å; Q1017-L1019 HydrophobicContact CG-CG 4.23Å; L1019-L1033 HydrophobicContact CD1-CD2 4.25Å; L1019-L1033 HydrophobicContact CD2-CD2 3.8Å; L1019-V1042 HydrophobicContact CD1-CG1 4.4Å; L1019-V1042 HydrophobicContact CD1-CG2 4.33Å; L1019-V1055 HydrophobicContact CB-CG1 4.12Å; L1019-V1055 HydrophobicContact CD1-CG1 4.31Å; L1019-V1055 HydrophobicContact CD2-CG1 4.24Å; L1019-V1055 HydrophobicContact CG-CG1 4.46Å; L1019-S1056 CarbonylContact C-O 3.53Å; L1019-S1056 WeakPolarHBondContact CA-O 3.35Å; L1019-V1057 HydrophobicContact CD2-CB 4.31Å; L1019-V1057 HydrophobicContact CD2-CG1 4.43Å; L1019-V1057 HydrophobicContact CD2-CG2 3.73Å |
| 1020 | Q | 82.5 | Confident | 77.2 | Confident | 15.8 Ų | 15.8 | 41 Ų | 41 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.4 | 164.3 | -178 | 174 | 15.8 | 0 | 0 | 108.6 | V975 V1055 S1056 V1058 I1161 | V975-Q1020 WeakPolarHBondContact O-CA 3.32Å; V975-Q1020 PolarHBondContact O-NE2 3.29Å; V975-Q1020 PolarHBondContact O-OE1 3.4Å; Q1020-V1055 WeakPolarHBondContact O-CA 3.32Å; Q1020-S1056 PolarHBondContact N-O 2.87Å; Q1020-S1056 PolarHBondContact O-N 3.09Å; Q1020-S1056 VanDerWaalsContact O-N 3.13Å; Q1020-S1056 PolarHBondContact OE1-OG 2.82Å; Q1020-V1058 HydrophobicContact CB-CG2 3.61Å; Q1020-I1161 HydrophobicContact CB-CD1 4.4Å; Q1020-I1161 VanDerWaalsContact CD-CD1 3.45Å; Q1020-I1161 HydrophobicContact CG-CD1 4.08Å; Q1020-I1161 HydrophobicContact CG-CG1 4.33Å; Q1020-I1161 VanDerWaalsContact OE1-CD1 3.29Å |
| 1021 | I | 79.9 | Confident | 76.6 | Confident | 8.8 Ų | 8.8 | 38.5 Ų | 38.5 | 5% | 0.045 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.3 | 169.6 | -54.7 | -178.4 | 0 | 0 | 0 | 107.3 | L833 V975 V977 C1053 V1055 | L833-I1021 HydrophobicContact CD1-CD1 3.41Å; L833-I1021 VanDerWaalsContact CD1-CD1 3.42Å; L833-I1021 HydrophobicContact CD2-CD1 3.99Å; L833-I1021 HydrophobicContact CG-CD1 4.38Å; V975-I1021 HydrophobicContact CB-CB 4.07Å; V975-I1021 HydrophobicContact CG1-CB 3.89Å; V975-I1021 HydrophobicContact CG1-CD1 4.2Å; V975-I1021 HydrophobicContact CG1-CG1 4.29Å; V975-I1021 PolarHBondContact O-N 2.88Å; V975-I1021 VanDerWaalsContact O-N 3.08Å; V977-I1021 HydrophobicContact CG2-CD1 3.63Å; V977-I1021 HydrophobicContact CG2-CG1 4.18Å; I1021-C1053 HydrophobicContact CG2-CB 3.76Å; I1021-V1055 HydrophobicContact CG1-CG1 4.46Å; I1021-V1055 HydrophobicContact CG1-CG2 4.17Å; I1021-V1055 HydrophobicContact CG2-CG2 4.4Å |
| 1022 | S | 74.4 | Confident | 76 | Confident | 10.4 Ų | 10.4 | 40.2 Ų | 40.2 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.4 | 178.6 | 70.3 | 0 | 0 | 0 | 0 | 111 | T1026 V1028 C1053 N1054 | S1022-T1026 WeakPolarHBondContact CB-OG1 3.38Å; S1022-T1026 PolarHBondContact OG-OG1 3.25Å; S1022-V1028 WeakPolarHBondContact OG-CG2 3.28Å; S1022-C1053 CarbonylContact O-C 3.52Å; S1022-C1053 WeakPolarHBondContact O-CA 3.35Å; S1022-N1054 PolarHBondContact N-O 2.87Å; S1022-N1054 PolarHBondContact O-N 3Å |
| 1023 | D | 71 | Confident | 75.4 | Confident | 30.2 Ų | 30.2 | 39.2 Ų | 39.2 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 148.8 | 175.5 | -145.6 | -18 | 0 | 0 | 0 | 110.7 | N968 L970 D1025 T1026 | N968-D1023 VanDerWaalsContact ND2-CG 3.33Å; N968-D1023 PolarHBondContact ND2-OD2 3.03Å; L970-D1023 HydrophobicContact CB-CB 4.39Å; D1023-D1025 PolarHBondContact O-N 3.07Å; D1023-D1025 VanDerWaalsContact O-N 3.12Å; D1023-T1026 HydrophobicContact CB-CG2 4.2Å; D1023-T1026 PolarHBondContact N-OG1 3.17Å; D1023-T1026 WeakPolarHBondContact O-CB 3.37Å; D1023-T1026 WeakPolarHBondContact O-CG2 3.3Å; D1023-T1026 PolarHBondContact O-N 3.06Å; D1023-T1026 PolarHBondContact O-OG1 3.2Å |
| 1024 | K | 68.5 | Low | 74.6 | Confident | 97.4 Ų | 97.4 | 46.6 Ų | 46.6 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -29.6 | -175.4 | -101.9 | -177.2 | 178.5 | -174.7 | 0 | 114.4 | T1026 Y1051 M1052 C1053 N1054 | K1024-T1026 VanDerWaalsContact C-N 3.31Å; K1024-T1026 PolarHBondContact O-N 3.1Å; K1024-Y1051 VanDerWaalsContact CD-O 3.28Å; K1024-Y1051 WeakPolarHBondContact CD-O 3.36Å; K1024-Y1051 VanDerWaalsContact CE-C 3.45Å; K1024-Y1051 VanDerWaalsContact CE-O 3.28Å; K1024-Y1051 WeakPolarHBondContact CE-O 3.33Å; K1024-Y1051 PolarHBondContact NZ-O 2.98Å; K1024-M1052 VanDerWaalsContact CB-O 3.31Å; K1024-M1052 WeakPolarHBondContact CB-O 3.36Å; K1024-M1052 VanDerWaalsContact CG-O 3.3Å; K1024-M1052 WeakPolarHBondContact CG-O 3.37Å; K1024-M1052 PolarHBondContact N-O 2.96Å; K1024-C1053 WeakPolarHBondContact CE-O 3.42Å; K1024-N1054 WeakPolarHBondContact CA-ND2 3.35Å; K1024-N1054 WeakPolarHBondContact CG-OD1 3.42Å; K1024-N1054 PolarHBondContact O-ND2 2.93Å; K1024-N1054 VanDerWaalsContact O-ND2 3.12Å |
| 1025 | D | 62 | Low | 73.9 | Confident | 155.2 Ų | 155.2 | 48.7 Ų | 48.7 | 83% | 0.83 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7 | 179.5 | -61.4 | -24.1 | 0 | 0 | 0 | 112.6 | D1023 A1027 | D1023-D1025 PolarHBondContact O-N 3.07Å; D1023-D1025 VanDerWaalsContact O-N 3.12Å; D1025-A1027 PolarHBondContact O-N 2.99Å |
| 1026 | T | 62.3 | Low | 73.2 | Confident | 48.6 Ų | 48.6 | 48.9 Ų | 48.9 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | trans | -80.8 | 115.9 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | S1022 D1023 K1024 V1028 | S1022-T1026 WeakPolarHBondContact CB-OG1 3.38Å; S1022-T1026 PolarHBondContact OG-OG1 3.25Å; D1023-T1026 HydrophobicContact CB-CG2 4.2Å; D1023-T1026 PolarHBondContact N-OG1 3.17Å; D1023-T1026 WeakPolarHBondContact O-CB 3.37Å; D1023-T1026 WeakPolarHBondContact O-CG2 3.3Å; D1023-T1026 PolarHBondContact O-N 3.06Å; D1023-T1026 PolarHBondContact O-OG1 3.2Å; K1024-T1026 VanDerWaalsContact C-N 3.31Å; K1024-T1026 PolarHBondContact O-N 3.1Å; T1026-V1028 VanDerWaalsContact C-N 3.34Å; T1026-V1028 PolarHBondContact O-N 2.98Å | ||
| 1027 | A | 58.2 | Low | 72.5 | Confident | 59.2 Ų | 59.2 | 52.3 Ų | 52.3 | 49% | 0.489 | 27% | 0.272 | S | S | . | . | trans | -76.3 | 37.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1025 V1029 Q1148 | D1025-A1027 PolarHBondContact O-N 2.99Å; A1027-V1029 PolarHBondContact O-N 3.24Å; A1027-Q1148 VanDerWaalsContact CB-CD 3.42Å; A1027-Q1148 HydrophobicContact CB-CG 4.25Å; A1027-Q1148 VanDerWaalsContact CB-NE2 3.34Å; A1027-Q1148 WeakPolarHBondContact O-CA 3.39Å | ||
| 1028 | V | 60.6 | Low | 72.1 | Confident | 35.4 Ų | 35.4 | 52.3 Ų | 52.3 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | trans | -84.4 | 115.1 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | S1022 T1026 G1030 L1146 Q1148 P1157 | S1022-V1028 WeakPolarHBondContact OG-CG2 3.28Å; T1026-V1028 VanDerWaalsContact C-N 3.34Å; T1026-V1028 PolarHBondContact O-N 2.98Å; V1028-G1030 PolarHBondContact O-N 3.4Å; V1028-L1146 HydrophobicContact CG1-CB 4.28Å; V1028-L1146 HydrophobicContact CG1-CD2 3.56Å; V1028-L1146 VanDerWaalsContact CG1-CD2 3.48Å; V1028-Q1148 HydrophobicContact CG2-CG 4.06Å; V1028-P1157 HydrophobicContact CG1-CB 4.33Å | ||
| 1029 | V | 60.6 | Low | 71.4 | Confident | 50.8 Ų | 50.8 | 51.4 Ų | 51.4 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | trans | -101.8 | 106 | -179 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | A1027 L1146 Q1147 L1149 P1485 V1498 F1500 | A1027-V1029 PolarHBondContact O-N 3.24Å; V1029-L1146 WeakPolarHBondContact O-CA 3.11Å; V1029-L1146 VanDerWaalsContact O-CD2 3.31Å; V1029-L1146 WeakPolarHBondContact O-CD2 3.12Å; V1029-Q1147 PolarHBondContact N-O 3.12Å; V1029-Q1147 VanDerWaalsContact N-O 3.12Å; V1029-Q1147 PolarHBondContact O-N 3.01Å; V1029-Q1147 VanDerWaalsContact O-N 3.16Å; V1029-L1149 HydrophobicContact CB-CD1 3.95Å; V1029-L1149 HydrophobicContact CG2-CD1 3.72Å; V1029-L1149 VanDerWaalsContact CG2-CD1 3.42Å; V1029-P1485 HydrophobicContact CG1-CB 4.28Å; V1029-V1498 HydrophobicContact CG1-CG1 4.2Å; V1029-F1500 HydrophobicContact CG1-CE1 4.22Å; V1029-F1500 HydrophobicContact CG1-CZ 4.15Å | ||
| 1030 | G | 67.5 | Low | 71.1 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | trans | -110 | -172.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1028 P1032 F1500 | V1028-G1030 PolarHBondContact O-N 3.4Å; G1030-P1032 WeakPolarHBondContact O-CD 3.27Å; G1030-F1500 VanDerWaalsContact O-CE1 3.25Å; G1030-F1500 WeakPolarHBondContact O-CE1 3.4Å | ||
| 1031 | I | 71 | Confident | 70.9 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.2 | 176.1 | -53.3 | 157.3 | 0 | 0 | 0 | 108 | L1033 A1035 V1057 N1142 T1483 | I1031-L1033 PolarHBondContact O-N 2.66Å; I1031-A1035 HydrophobicContact CG2-CB 3.88Å; I1031-V1057 HydrophobicContact CB-CB 4.11Å; I1031-V1057 HydrophobicContact CB-CG2 4.49Å; I1031-V1057 HydrophobicContact CD1-CB 4.44Å; I1031-V1057 HydrophobicContact CD1-CG1 4.44Å; I1031-V1057 PolarHBondContact N-O 3.23Å; I1031-V1057 VanDerWaalsContact N-O 3.08Å; I1031-V1057 WeakPolarHBondContact O-CB 3.25Å; I1031-V1057 WeakPolarHBondContact O-CG2 3.39Å; I1031-V1057 PolarHBondContact O-N 3.07Å; I1031-V1057 VanDerWaalsContact O-N 3.14Å; I1031-N1142 HydrophobicContact CD1-CB 4.3Å; I1031-T1483 HydrophobicContact CD1-CG2 4.16Å; I1031-T1483 VanDerWaalsContact CD1-OG1 3.26Å; I1031-T1483 WeakPolarHBondContact CD1-OG1 3.46Å; I1031-T1483 HydrophobicContact CG1-CG2 4.14Å; I1031-T1483 WeakPolarHBondContact CG1-OG1 3.41Å |
| 1032 | P | 72.7 | Confident | 70.9 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 145.8 | 176.4 | 27.6 | -33.4 | 0 | 0 | 0 | 110.1 | G1030 R1034 A1035 S1036 F1500 | G1030-P1032 WeakPolarHBondContact O-CD 3.27Å; P1032-R1034 PolarHBondContact O-N 2.99Å; P1032-A1035 HydrophobicContact CG-CB 3.86Å; P1032-A1035 WeakPolarHBondContact O-CA 3.41Å; P1032-A1035 WeakPolarHBondContact O-CB 3.45Å; P1032-A1035 PolarHBondContact O-N 3.07Å; P1032-S1036 PolarHBondContact O-N 3.03Å; P1032-F1500 VanDerWaalsContact CD-CE2 3.42Å; P1032-F1500 VanDerWaalsContact CD-CZ 3.42Å; P1032-F1500 HydrophobicContact CG-CD2 4.34Å; P1032-F1500 HydrophobicContact CG-CE2 3.85Å; P1032-F1500 HydrophobicContact CG-CZ 4.11Å |
| 1033 | L | 72.3 | Confident | 71 | Confident | 40.4 Ų | 40.4 | 53.3 Ų | 53.3 | 21% | 0.212 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -50.5 | -28.5 | 179.6 | -76.5 | 162 | 0 | 0 | 0 | 114.4 | R841 L1019 I1031 A1035 S1036 V1042 L1044 V1055 V1057 | R841-L1033 PolarHBondContact NH2-O 3.1Å; L1019-L1033 HydrophobicContact CD1-CD2 4.25Å; L1019-L1033 HydrophobicContact CD2-CD2 3.8Å; I1031-L1033 PolarHBondContact O-N 2.66Å; L1033-A1035 VanDerWaalsContact C-N 3.29Å; L1033-A1035 PolarHBondContact O-N 2.94Å; L1033-S1036 VanDerWaalsContact O-CB 3.29Å; L1033-S1036 WeakPolarHBondContact O-CB 3.41Å; L1033-S1036 PolarHBondContact O-N 3.13Å; L1033-V1042 HydrophobicContact CD2-CB 4.38Å; L1033-L1044 HydrophobicContact CD1-CD1 3.61Å; L1033-L1044 HydrophobicContact CD1-CG 4.33Å; L1033-V1055 HydrophobicContact CD1-CB 4.15Å; L1033-V1055 HydrophobicContact CD1-CG1 4.04Å; L1033-V1055 HydrophobicContact CD2-CG1 4.43Å; L1033-V1055 HydrophobicContact CG-CG1 4.33Å; L1033-V1057 HydrophobicContact CD2-CG2 4.27Å; L1033-V1057 HydrophobicContact CG-CG2 4.25Å |
| 1034 | R | 71 | Confident | 71 | Confident | 241.4 Ų | 241.4 | 53.1 Ų | 53.1 | 91% | 0.911 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -71.8 | -24.5 | 175.9 | -65.9 | -175.7 | -179.3 | 172.3 | 0.5 | 114.2 | P1032 | P1032-R1034 PolarHBondContact O-N 2.99Š|
| 1035 | A | 73.5 | Confident | 70.9 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -96.3 | -4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1031 P1032 L1033 | I1031-A1035 HydrophobicContact CG2-CB 3.88Å; P1032-A1035 HydrophobicContact CG-CB 3.86Å; P1032-A1035 WeakPolarHBondContact O-CA 3.41Å; P1032-A1035 WeakPolarHBondContact O-CB 3.45Å; P1032-A1035 PolarHBondContact O-N 3.07Å; L1033-A1035 VanDerWaalsContact C-N 3.29Å; L1033-A1035 PolarHBondContact O-N 2.94Å |
| 1036 | S | 77 | Confident | 71.1 | Confident | 4.8 Ų | 4.8 | 56 Ų | 56 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | trans | -55.5 | 143.3 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | R841 Q1017 P1032 L1033 L1038 E1060 | R841-S1036 VanDerWaalsContact CZ-O 3.25Å; R841-S1036 PolarHBondContact NH1-O 3.15Å; R841-S1036 PolarHBondContact NH2-O 3.13Å; Q1017-S1036 PolarHBondContact NE2-OG 3.11Å; Q1017-S1036 VanDerWaalsContact NE2-OG 3.09Å; P1032-S1036 PolarHBondContact O-N 3.03Å; L1033-S1036 VanDerWaalsContact O-CB 3.29Å; L1033-S1036 WeakPolarHBondContact O-CB 3.41Å; L1033-S1036 PolarHBondContact O-N 3.13Å; S1036-L1038 PolarHBondContact OG-N 3.43Å; S1036-E1060 VanDerWaalsContact CA-OE2 3.26Å; S1036-E1060 WeakPolarHBondContact CA-OE2 3.38Å; S1036-E1060 VanDerWaalsContact CB-OE2 3.25Å; S1036-E1060 WeakPolarHBondContact CB-OE2 3.38Å; S1036-E1060 PolarHBondContact OG-OE2 3.16Å | ||
| 1037 | R | 74.9 | Confident | 71.5 | Confident | 131.2 Ų | 131.2 | 54.3 Ų | 54.3 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | trans | -95.1 | -0.6 | -177.8 | -67.2 | 179.9 | 166.7 | -142.9 | -9.6 | 114.7 | E1060 E1502 | R1037-E1060 WeakPolarHBondContact CB-OE1 3.38Å; R1037-E1060 WeakPolarHBondContact CG-OE1 3.27Å; R1037-E1060 PolarHBondContact N-OE1 2.98Å; R1037-E1060 VanDerWaalsContact N-OE1 3.13Å; R1037-E1060 PolarHBondContact N-OE2 3.04Å; R1037-E1502 IonicContact CZ-OE1 3.52Å; R1037-E1502 IonicContact CZ-OE2 2.96Å; R1037-E1502 VanDerWaalsContact CZ-OE2 3.26Å; R1037-E1502 IonicContact NE-OE1 3.1Å; R1037-E1502 PolarHBondContact NE-OE1 2.98Å; R1037-E1502 VanDerWaalsContact NE-OE1 3.14Å; R1037-E1502 IonicContact NE-OE2 2.67Å; R1037-E1502 IonicContact NH1-OE2 3.52Å; R1037-E1502 IonicContact NH2-OE1 3.2Å; R1037-E1502 PolarHBondContact NH2-OE1 3.05Å; R1037-E1502 IonicContact NH2-OE2 3.35Å; R1037-E1502 PolarHBondContact NH2-OE2 3.15Å | ||
| 1038 | L | 80.2 | Confident | 71.8 | Confident | 3.6 Ų | 3.6 | 54.4 Ų | 54.4 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -71.2 | 155.6 | -176.4 | -56.3 | -179 | 0 | 0 | 0 | 112.1 | R841 E1015 F1016 Q1017 S1036 F1040 E1060 G1061 V1062 | R841-L1038 WeakPolarHBondContact CD-O 3.35Å; E1015-L1038 HydrophobicContact CB-CD2 4.24Å; E1015-L1038 HydrophobicContact CG-CD2 4.48Å; F1016-L1038 WeakPolarHBondContact O-CD1 3.36Å; Q1017-L1038 HydrophobicContact CB-CD1 3.58Å; Q1017-L1038 VanDerWaalsContact CB-CD1 3.5Å; Q1017-L1038 HydrophobicContact CG-CD1 3.88Å; S1036-L1038 PolarHBondContact OG-N 3.43Å; L1038-F1040 VanDerWaalsContact C-N 3.27Å; L1038-F1040 HydrophobicContact CB-CD1 4.35Å; L1038-F1040 HydrophobicContact CB-CE1 4.32Å; L1038-F1040 HydrophobicContact CB-CZ 4.4Å; L1038-F1040 HydrophobicContact CD1-CE1 3.9Å; L1038-F1040 HydrophobicContact CD1-CE2 4.08Å; L1038-F1040 HydrophobicContact CD1-CZ 3.55Å; L1038-F1040 VanDerWaalsContact CD1-CZ 3.48Å; L1038-F1040 PolarHBondContact O-N 3.14Å; L1038-E1060 HydrophobicContact CD1-CB 4.16Å; L1038-E1060 HydrophobicContact CD2-CB 4.21Å; L1038-E1060 HydrophobicContact CG-CB 4.21Å; L1038-G1061 WeakPolarHBondContact CD2-O 3.47Å; L1038-V1062 HydrophobicContact CD2-CG2 3.65Å |
| 1039 | S | 73.8 | Confident | 72.1 | Confident | 16.8 Ų | 16.8 | 54.8 Ų | 54.8 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -72.5 | -16.4 | 177.2 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | R841 Y983 E1015 | R841-S1039 WeakPolarHBondContact CB-O 3.41Å; R841-S1039 PolarHBondContact N-O 3.05Å; Y983-S1039 PolarHBondContact OH-OG 3.11Å; Y983-S1039 VanDerWaalsContact OH-OG 3.1Å; E1015-S1039 VanDerWaalsContact CD-OG 3.28Å; E1015-S1039 WeakPolarHBondContact OE1-CB 3.39Å; E1015-S1039 PolarHBondContact OE1-N 3.11Å; E1015-S1039 VanDerWaalsContact OE1-N 3.12Å; E1015-S1039 PolarHBondContact OE1-OG 2.84Å; E1015-S1039 VanDerWaalsContact OE1-OG 3.13Å; E1015-S1039 WeakPolarHBondContact OE2-CB 3.39Å; E1015-S1039 PolarHBondContact OE2-N 3.1Å; E1015-S1039 PolarHBondContact OE2-OG 3.19Å |
| 1040 | F | 78.9 | Confident | 72.6 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 154.1 | 173.4 | 67 | -98.7 | 0 | 0 | 0 | 113 | I838 S839 R841 I979 V981 E1015 Q1017 L1038 V1042 | I838-F1040 HydrophobicContact CG2-CB 3.68Å; I838-F1040 HydrophobicContact CG2-CD2 3.71Å; I838-F1040 HydrophobicContact CG2-CE2 4.47Å; I838-F1040 HydrophobicContact CG2-CG 3.79Å; S839-F1040 CarbonylContact O-C 3.46Å; S839-F1040 WeakPolarHBondContact O-CA 3.32Å; R841-F1040 PolarHBondContact NE-O 3.46Å; I979-F1040 HydrophobicContact CB-CE2 4.48Å; I979-F1040 HydrophobicContact CB-CZ 4.39Å; I979-F1040 HydrophobicContact CG2-CE2 3.87Å; I979-F1040 HydrophobicContact CG2-CZ 3.73Å; V981-F1040 HydrophobicContact CB-CD1 4.25Å; V981-F1040 HydrophobicContact CB-CE1 4.13Å; V981-F1040 HydrophobicContact CG2-CD1 3.81Å; V981-F1040 HydrophobicContact CG2-CE1 3.66Å; V981-F1040 HydrophobicContact CG2-CG 4.4Å; V981-F1040 HydrophobicContact CG2-CZ 4.2Å; E1015-F1040 HydrophobicContact CB-CD1 4.29Å; E1015-F1040 HydrophobicContact CB-CE1 3.75Å; E1015-F1040 WeakPolarHBondContact OE2-CD1 3.28Å; Q1017-F1040 HydrophobicContact CB-CE2 4.43Å; Q1017-F1040 HydrophobicContact CB-CZ 4.17Å; L1038-F1040 VanDerWaalsContact C-N 3.27Å; L1038-F1040 HydrophobicContact CB-CD1 4.35Å; L1038-F1040 HydrophobicContact CB-CE1 4.32Å; L1038-F1040 HydrophobicContact CB-CZ 4.4Å; L1038-F1040 HydrophobicContact CD1-CE1 3.9Å; L1038-F1040 HydrophobicContact CD1-CE2 4.08Å; L1038-F1040 HydrophobicContact CD1-CZ 3.55Å; L1038-F1040 VanDerWaalsContact CD1-CZ 3.48Å; L1038-F1040 PolarHBondContact O-N 3.14Å; F1040-V1042 HydrophobicContact CD2-CG2 4.11Å; F1040-V1042 HydrophobicContact CE2-CG2 3.94Å |
| 1041 | A | 78.9 | Confident | 72.6 | Confident | 30.2 Ų | 30.2 | 61.6 Ų | 61.6 | 25% | 0.25 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | I838 S839 R841 | I838-A1041 WeakPolarHBondContact CA-O 3.15Å; S839-A1041 PolarHBondContact N-O 3.29Å; S839-A1041 PolarHBondContact O-N 3.03Å; S839-A1041 PolarHBondContact OG-O 2.9Å; R841-A1041 HydrophobicContact CG-CB 3.89Å |
| 1042 | V | 78.5 | Confident | 72.4 | Confident | 16.4 Ų | 16.4 | 65.1 Ų | 65.1 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.2 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | L836 I979 L1019 L1033 F1040 L1044 | L836-V1042 HydrophobicContact CD1-CG1 4.32Å; L836-V1042 HydrophobicContact CD2-CG1 4.1Å; I979-V1042 HydrophobicContact CD1-CG1 4.25Å; I979-V1042 HydrophobicContact CD1-CG2 3.53Å; I979-V1042 VanDerWaalsContact CD1-CG2 3.5Å; L1019-V1042 HydrophobicContact CD1-CG1 4.4Å; L1019-V1042 HydrophobicContact CD1-CG2 4.33Å; L1033-V1042 HydrophobicContact CD2-CB 4.38Å; F1040-V1042 HydrophobicContact CD2-CG2 4.11Å; F1040-V1042 HydrophobicContact CE2-CG2 3.94Å; V1042-L1044 HydrophobicContact CG1-CD1 4.45Å; V1042-L1044 PolarHBondContact O-N 2.95Å |
| 1043 | S | 77 | Confident | 72.3 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 111 | E837 Q1045 | E837-S1043 PolarHBondContact N-O 2.78Å; E837-S1043 PolarHBondContact O-N 3.13Å; S1043-Q1045 VanDerWaalsContact C-N 3.29Å; S1043-Q1045 PolarHBondContact O-N 3.18Å; S1043-Q1045 WeakPolarHBondContact OG-CG 3.28Å; S1043-Q1045 PolarHBondContact OG-N 3.05Å |
| 1044 | L | 71.5 | Confident | 72.5 | Confident | 27.6 Ų | 27.6 | 64.2 Ų | 64.2 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -81.3 | -4.1 | 173.6 | -74.2 | 142.5 | 0 | 0 | 0 | 113.2 | L833 L836 L1033 V1042 R1046 Y1047 H1050 V1055 | L833-L1044 HydrophobicContact CD2-CD2 4.19Å; L836-L1044 HydrophobicContact CD2-CB 4.46Å; L836-L1044 HydrophobicContact CD2-CD2 3.76Å; L836-L1044 HydrophobicContact CD2-CG 4Å; L1033-L1044 HydrophobicContact CD1-CD1 3.61Å; L1033-L1044 HydrophobicContact CD1-CG 4.33Å; V1042-L1044 HydrophobicContact CG1-CD1 4.45Å; V1042-L1044 PolarHBondContact O-N 2.95Å; L1044-R1046 PolarHBondContact O-N 2.97Å; L1044-R1046 VanDerWaalsContact O-N 3.13Å; L1044-Y1047 WeakPolarHBondContact O-CB 3.21Å; L1044-Y1047 PolarHBondContact O-N 3.13Å; L1044-H1050 HydrophobicContact CB-CB 4.05Å; L1044-H1050 VanDerWaalsContact CB-CD2 3.46Å; L1044-H1050 WeakPolarHBondContact CB-CD2 3.48Å; L1044-H1050 VanDerWaalsContact O-CB 3.29Å; L1044-H1050 WeakPolarHBondContact O-CB 3.37Å; L1044-V1055 HydrophobicContact CD1-CB 3.95Å; L1044-V1055 HydrophobicContact CD1-CG1 4.29Å; L1044-V1055 HydrophobicContact CD1-CG2 3.64Å; L1044-V1055 VanDerWaalsContact CD1-CG2 3.5Å; L1044-V1055 HydrophobicContact CD2-CG2 4Å; L1044-V1055 HydrophobicContact CG-CG2 4.42Å |
| 1045 | Q | 67.2 | Low | 72.8 | Confident | 160 Ų | 160 | 54 Ų | 54 | 75% | 0.748 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -61.9 | -26.4 | -173.4 | -67.1 | -178.1 | -8.1 | 0 | 0 | 113.7 | S1043 Y1047 | S1043-Q1045 VanDerWaalsContact C-N 3.29Å; S1043-Q1045 PolarHBondContact O-N 3.18Å; S1043-Q1045 WeakPolarHBondContact OG-CG 3.28Å; S1043-Q1045 PolarHBondContact OG-N 3.05Å; Q1045-Y1047 VanDerWaalsContact C-N 3.3Å |
| 1046 | R | 65.6 | Low | 73.1 | Confident | 151.8 Ų | 151.8 | 52.1 Ų | 52.1 | 57% | 0.573 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -82.9 | -10.8 | 175.3 | -67.7 | -169.2 | -177.7 | 164 | 12.6 | 114 | E837 L1044 P1048 | E837-R1046 VanDerWaalsContact CD-CZ 3.41Å; E837-R1046 VanDerWaalsContact CD-NE 3.35Å; E837-R1046 IonicContact OE1-CZ 3.32Å; E837-R1046 VanDerWaalsContact OE1-CZ 3.27Å; E837-R1046 IonicContact OE1-NE 3.12Å; E837-R1046 IonicContact OE1-NH1 3.46Å; E837-R1046 PolarHBondContact OE1-NH1 3.18Å; E837-R1046 IonicContact OE1-NH2 3.17Å; E837-R1046 PolarHBondContact OE1-NH2 2.92Å; E837-R1046 VanDerWaalsContact OE1-NH2 3.16Å; E837-R1046 IonicContact OE2-CZ 3.61Å; E837-R1046 VanDerWaalsContact OE2-CZ 3.3Å; E837-R1046 IonicContact OE2-NE 2.93Å; E837-R1046 PolarHBondContact OE2-NE 3.19Å; E837-R1046 IonicContact OE2-NH1 3.37Å; E837-R1046 PolarHBondContact OE2-NH1 3.34Å; E837-R1046 IonicContact OE2-NH2 3.4Å; E837-R1046 PolarHBondContact OE2-NH2 3.01Å; E837-R1046 VanDerWaalsContact OE2-NH2 3.1Å; L1044-R1046 PolarHBondContact O-N 2.97Å; L1044-R1046 VanDerWaalsContact O-N 3.13Å; R1046-P1048 WeakPolarHBondContact O-CD 3.46Å |
| 1047 | Y | 70.2 | Confident | 73.4 | Confident | 14.2 Ų | 14.2 | 51.8 Ų | 51.8 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -80.1 | 121.1 | 174.9 | -179.3 | -118.2 | 0 | 0 | 0 | 109.5 | E795 L796 L833 L1044 Q1045 Q1049 H1050 | E795-Y1047 PolarHBondContact O-OH 3.04Å; E795-Y1047 VanDerWaalsContact O-OH 3.09Å; L796-Y1047 WeakPolarHBondContact CD2-OH 3.22Å; L833-Y1047 HydrophobicContact CD2-CD1 4.07Å; L833-Y1047 HydrophobicContact CD2-CD2 3.96Å; L833-Y1047 HydrophobicContact CD2-CE1 4.25Å; L833-Y1047 HydrophobicContact CD2-CE2 4.22Å; L833-Y1047 HydrophobicContact CD2-CG 3.97Å; L833-Y1047 HydrophobicContact CG-CD2 4.15Å; L833-Y1047 HydrophobicContact CG-CE2 4.04Å; L833-Y1047 HydrophobicContact CG-CG 4.4Å; L1044-Y1047 WeakPolarHBondContact O-CB 3.21Å; L1044-Y1047 PolarHBondContact O-N 3.13Å; Q1045-Y1047 VanDerWaalsContact C-N 3.3Å; Y1047-Q1049 VanDerWaalsContact C-N 3.27Å; Y1047-Q1049 HydrophobicContact CD1-CB 4.29Å; Y1047-Q1049 HydrophobicContact CE1-CB 3.6Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.36Å; Y1047-Q1049 PolarHBondContact O-N 2.91Å; Y1047-Q1049 VanDerWaalsContact O-N 3.14Å; Y1047-Q1049 PolarHBondContact OH-OE1 3.14Å; Y1047-H1050 HydrophobicContact CD1-CB 4.31Å; Y1047-H1050 VanDerWaalsContact O-CB 3.31Å; Y1047-H1050 WeakPolarHBondContact O-CB 3.37Å; Y1047-H1050 PolarHBondContact O-N 3.14Å; Y1047-H1050 VanDerWaalsContact O-N 3.16Å; Y1047-H1050 PolarHBondContact O-ND1 3.03Å; Y1047-H1050 VanDerWaalsContact O-ND1 3.08Å |
| 1048 | P | 65.1 | Low | 73.8 | Confident | 60.6 Ų | 60.6 | 45.7 Ų | 45.7 | 39% | 0.394 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.8 | -170.6 | -6.9 | 8.1 | 0 | 0 | 0 | 113.9 | Y578 A831 R1046 Y1051 | Y578-P1048 HydrophobicContact CE1-CB 3.9Å; Y578-P1048 HydrophobicContact CE2-CB 4.09Å; Y578-P1048 WeakPolarHBondContact OH-CA 2.94Å; Y578-P1048 WeakPolarHBondContact OH-CB 3.4Å; Y578-P1048 PolarHBondContact OH-O 3.16Å; A831-P1048 HydrophobicContact CB-CG 3.99Å; A831-P1048 VanDerWaalsContact O-CD 3.29Å; A831-P1048 WeakPolarHBondContact O-CD 3.38Å; A831-P1048 WeakPolarHBondContact O-CG 3.34Å; R1046-P1048 WeakPolarHBondContact O-CD 3.46Å; P1048-Y1051 WeakPolarHBondContact O-CD1 3.41Å; P1048-Y1051 VanDerWaalsContact O-CE1 3.23Å; P1048-Y1051 WeakPolarHBondContact O-CE1 3.38Å |
| 1049 | Q | 66.8 | Low | 74 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 16.5 | -176.9 | -54.9 | 173.9 | -7.1 | 0 | 0 | 113.6 | Y578 E795 Y1047 Y1051 M1052 C1053 | Y578-Q1049 HydrophobicContact CD1-CG 3.81Å; Y578-Q1049 HydrophobicContact CE1-CG 3.33Å; Y578-Q1049 HydrophobicContact CE2-CG 4.29Å; Y578-Q1049 HydrophobicContact CG-CG 4.33Å; E795-Q1049 PolarHBondContact O-NE2 3.09Å; E795-Q1049 VanDerWaalsContact O-NE2 3.12Å; E795-Q1049 PolarHBondContact O-OE1 2.91Å; Y1047-Q1049 VanDerWaalsContact C-N 3.27Å; Y1047-Q1049 HydrophobicContact CD1-CB 4.29Å; Y1047-Q1049 HydrophobicContact CE1-CB 3.6Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.36Å; Y1047-Q1049 PolarHBondContact O-N 2.91Å; Y1047-Q1049 VanDerWaalsContact O-N 3.14Å; Y1047-Q1049 PolarHBondContact OH-OE1 3.14Å; Q1049-Y1051 PolarHBondContact O-N 2.96Å; Q1049-M1052 PolarHBondContact O-N 3.1Å; Q1049-C1053 PolarHBondContact O-N 2.95Å |
| 1050 | H | 70.1 | Confident | 74.8 | Confident | 83.2 Ų | 83.2 | 45.6 Ų | 45.6 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21 | -178.8 | 91.6 | -92.8 | 0 | 0 | 0 | 113.9 | L1044 Y1047 M1052 | L1044-H1050 HydrophobicContact CB-CB 4.05Å; L1044-H1050 VanDerWaalsContact CB-CD2 3.46Å; L1044-H1050 WeakPolarHBondContact CB-CD2 3.48Å; L1044-H1050 VanDerWaalsContact O-CB 3.29Å; L1044-H1050 WeakPolarHBondContact O-CB 3.37Å; Y1047-H1050 HydrophobicContact CD1-CB 4.31Å; Y1047-H1050 VanDerWaalsContact O-CB 3.31Å; Y1047-H1050 WeakPolarHBondContact O-CB 3.37Å; Y1047-H1050 PolarHBondContact O-N 3.14Å; Y1047-H1050 VanDerWaalsContact O-N 3.16Å; Y1047-H1050 PolarHBondContact O-ND1 3.03Å; Y1047-H1050 VanDerWaalsContact O-ND1 3.08Å; H1050-M1052 VanDerWaalsContact C-N 3.29Å; H1050-M1052 PolarHBondContact O-N 2.87Å |
| 1051 | Y | 68.9 | Low | 75.3 | Confident | 119 Ų | 119 | 45.6 Ų | 45.6 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.8 | 176.4 | 68.6 | -91 | 0 | 0 | 0 | 113.9 | Y578 K1024 P1048 Q1049 | Y578-Y1051 HydrophobicContact CE2-CE1 4.27Å; Y578-Y1051 WeakPolarHBondContact CE2-OH 3.31Å; K1024-Y1051 VanDerWaalsContact CD-O 3.28Å; K1024-Y1051 WeakPolarHBondContact CD-O 3.36Å; K1024-Y1051 VanDerWaalsContact CE-C 3.45Å; K1024-Y1051 VanDerWaalsContact CE-O 3.28Å; K1024-Y1051 WeakPolarHBondContact CE-O 3.33Å; K1024-Y1051 PolarHBondContact NZ-O 2.98Å; P1048-Y1051 WeakPolarHBondContact O-CD1 3.41Å; P1048-Y1051 VanDerWaalsContact O-CE1 3.23Å; P1048-Y1051 WeakPolarHBondContact O-CE1 3.38Å; Q1049-Y1051 PolarHBondContact O-N 2.96Å |
| 1052 | M | 66.3 | Low | 75.9 | Confident | 83.2 Ų | 83.2 | 44.7 Ų | 44.7 | 41% | 0.41 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -19.4 | 174.4 | -59.5 | -131 | 67.3 | 0 | 0 | 112.9 | K1024 Q1049 H1050 | K1024-M1052 VanDerWaalsContact CB-O 3.31Å; K1024-M1052 WeakPolarHBondContact CB-O 3.36Å; K1024-M1052 VanDerWaalsContact CG-O 3.3Å; K1024-M1052 WeakPolarHBondContact CG-O 3.37Å; K1024-M1052 PolarHBondContact N-O 2.96Å; Q1049-M1052 PolarHBondContact O-N 3.1Å; H1050-M1052 VanDerWaalsContact C-N 3.29Å; H1050-M1052 PolarHBondContact O-N 2.87Å |
| 1053 | C | 71.4 | Confident | 76.4 | Confident | 11.4 Ų | 11.4 | 45.4 Ų | 45.4 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.1 | -177.5 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | I1021 S1022 K1024 Q1049 | I1021-C1053 HydrophobicContact CG2-CB 3.76Å; S1022-C1053 CarbonylContact O-C 3.52Å; S1022-C1053 WeakPolarHBondContact O-CA 3.35Å; K1024-C1053 WeakPolarHBondContact CE-O 3.42Å; Q1049-C1053 PolarHBondContact O-N 2.95Å |
| 1054 | N | 74.8 | Confident | 76.8 | Confident | 68.2 Ų | 68.2 | 46.3 Ų | 46.3 | 37% | 0.365 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 143.2 | 157.3 | -90.6 | -18.5 | 0 | 0 | 0 | 108.9 | S1022 K1024 | S1022-N1054 PolarHBondContact N-O 2.87Å; S1022-N1054 PolarHBondContact O-N 3Å; K1024-N1054 WeakPolarHBondContact CA-ND2 3.35Å; K1024-N1054 WeakPolarHBondContact CG-OD1 3.42Å; K1024-N1054 PolarHBondContact O-ND2 2.93Å; K1024-N1054 VanDerWaalsContact O-ND2 3.12Å |
| 1055 | V | 78.3 | Confident | 77.4 | Confident | 27.2 Ų | 27.2 | 48.3 Ų | 48.3 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.7 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | L1019 Q1020 I1021 L1033 L1044 | L1019-V1055 HydrophobicContact CB-CG1 4.12Å; L1019-V1055 HydrophobicContact CD1-CG1 4.31Å; L1019-V1055 HydrophobicContact CD2-CG1 4.24Å; L1019-V1055 HydrophobicContact CG-CG1 4.46Å; Q1020-V1055 WeakPolarHBondContact O-CA 3.32Å; I1021-V1055 HydrophobicContact CG1-CG1 4.46Å; I1021-V1055 HydrophobicContact CG1-CG2 4.17Å; I1021-V1055 HydrophobicContact CG2-CG2 4.4Å; L1033-V1055 HydrophobicContact CD1-CB 4.15Å; L1033-V1055 HydrophobicContact CD1-CG1 4.04Å; L1033-V1055 HydrophobicContact CD2-CG1 4.43Å; L1033-V1055 HydrophobicContact CG-CG1 4.33Å; L1044-V1055 HydrophobicContact CD1-CB 3.95Å; L1044-V1055 HydrophobicContact CD1-CG1 4.29Å; L1044-V1055 HydrophobicContact CD1-CG2 3.64Å; L1044-V1055 VanDerWaalsContact CD1-CG2 3.5Å; L1044-V1055 HydrophobicContact CD2-CG2 4Å; L1044-V1055 HydrophobicContact CG-CG2 4.42Å |
| 1056 | S | 79.2 | Confident | 78.3 | Confident | 8.8 Ų | 8.8 | 42.2 Ų | 42.2 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 144.9 | 178.9 | 63 | 0 | 0 | 0 | 0 | 110.7 | L1019 Q1020 V1058 | L1019-S1056 CarbonylContact C-O 3.53Å; L1019-S1056 WeakPolarHBondContact CA-O 3.35Å; Q1020-S1056 PolarHBondContact N-O 2.87Å; Q1020-S1056 PolarHBondContact O-N 3.09Å; Q1020-S1056 VanDerWaalsContact O-N 3.13Å; Q1020-S1056 PolarHBondContact OE1-OG 2.82Å; S1056-V1058 PolarHBondContact O-N 3.39Å |
| 1057 | V | 82.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 119 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | Q1017 L1019 I1031 L1033 A1059 E1060 S1144 | Q1017-V1057 HydrophobicContact CG-CG1 3.81Å; Q1017-V1057 HydrophobicContact CG-CG2 4.47Å; Q1017-V1057 VanDerWaalsContact NE2-CG2 3.27Å; L1019-V1057 HydrophobicContact CD2-CB 4.31Å; L1019-V1057 HydrophobicContact CD2-CG1 4.43Å; L1019-V1057 HydrophobicContact CD2-CG2 3.73Å; I1031-V1057 HydrophobicContact CB-CB 4.11Å; I1031-V1057 HydrophobicContact CB-CG2 4.49Å; I1031-V1057 HydrophobicContact CD1-CB 4.44Å; I1031-V1057 HydrophobicContact CD1-CG1 4.44Å; I1031-V1057 PolarHBondContact N-O 3.23Å; I1031-V1057 VanDerWaalsContact N-O 3.08Å; I1031-V1057 WeakPolarHBondContact O-CB 3.25Å; I1031-V1057 WeakPolarHBondContact O-CG2 3.39Å; I1031-V1057 PolarHBondContact O-N 3.07Å; I1031-V1057 VanDerWaalsContact O-N 3.14Å; L1033-V1057 HydrophobicContact CD2-CG2 4.27Å; L1033-V1057 HydrophobicContact CG-CG2 4.25Å; V1057-A1059 WeakPolarHBondContact CG1-O 3.35Å; V1057-E1060 HydrophobicContact CG1-CB 4.12Å; V1057-E1060 HydrophobicContact CG1-CG 4.38Å; V1057-S1144 VanDerWaalsContact O-CB 3.32Å; V1057-S1144 WeakPolarHBondContact O-CB 3.2Å; V1057-S1144 PolarHBondContact O-OG 3.08Å |
| 1058 | V | 83.3 | Confident | 80.2 | Confident | 1.8 Ų | 1.8 | 38.3 Ų | 38.3 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -47.5 | 176.8 | -179.3 | 0 | 0 | 0 | 0 | 110 | L1018 Q1020 S1056 C1143 S1144 L1146 L1158 I1161 L1162 | L1018-V1058 HydrophobicContact CB-CB 4.33Å; L1018-V1058 HydrophobicContact CD2-CB 4.08Å; L1018-V1058 HydrophobicContact CD2-CG1 3.96Å; L1018-V1058 HydrophobicContact CG-CB 4.09Å; L1018-V1058 HydrophobicContact CG-CG1 4.42Å; L1018-V1058 HydrophobicContact CG-CG2 4.35Å; L1018-V1058 WeakPolarHBondContact O-CB 3.3Å; L1018-V1058 PolarHBondContact O-N 2.92Å; Q1020-V1058 HydrophobicContact CB-CG2 3.61Å; S1056-V1058 PolarHBondContact O-N 3.39Å; V1058-C1143 WeakPolarHBondContact O-CA 3.09Å; V1058-S1144 WeakPolarHBondContact CA-OG 3.36Å; V1058-S1144 WeakPolarHBondContact O-CB 3.16Å; V1058-S1144 PolarHBondContact O-N 3.06Å; V1058-S1144 PolarHBondContact O-OG 3.17Å; V1058-L1146 HydrophobicContact CB-CD1 4.23Å; V1058-L1146 HydrophobicContact CG1-CD1 3.84Å; V1058-L1146 HydrophobicContact CG2-CD1 4.07Å; V1058-L1158 HydrophobicContact CG1-CD1 3.74Å; V1058-L1158 VanDerWaalsContact CG1-CD1 3.48Å; V1058-L1158 HydrophobicContact CG1-CG 4.31Å; V1058-I1161 HydrophobicContact CG2-CD1 4.34Å; V1058-I1161 HydrophobicContact CG2-CG2 4.42Å; V1058-L1162 HydrophobicContact CG1-CD2 4.43Å |
| 1059 | A | 86.4 | Confident | 81.2 | Confident | 15.6 Ų | 15.6 | 37.7 Ų | 37.7 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q1017 L1018 V1057 N1142 | Q1017-A1059 CarbonylContact C-O 3.55Å; L1018-A1059 HydrophobicContact CB-CB 4.36Å; L1018-A1059 PolarHBondContact N-O 3.02Å; L1018-A1059 PolarHBondContact O-N 2.89Å; V1057-A1059 WeakPolarHBondContact CG1-O 3.35Å; A1059-N1142 CarbonylContact C-O 3.51Å; A1059-N1142 VanDerWaalsContact CA-O 3.31Å; A1059-N1142 WeakPolarHBondContact CA-O 3.37Å |
| 1060 | E | 90.2 | Very high | 82.2 | Confident | 4.4 Ų | 4.4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 152.8 | 169.6 | 61.9 | 179.5 | -169.3 | 0 | 0 | 109.7 | F1016 Q1017 S1036 R1037 L1038 V1057 L1141 N1142 | F1016-E1060 CarbonylContact O-C 3.45Å; F1016-E1060 VanDerWaalsContact O-CA 3.3Å; F1016-E1060 WeakPolarHBondContact O-CA 3.36Å; Q1017-E1060 HydrophobicContact CG-CB 4.44Å; S1036-E1060 VanDerWaalsContact CA-OE2 3.26Å; S1036-E1060 WeakPolarHBondContact CA-OE2 3.38Å; S1036-E1060 VanDerWaalsContact CB-OE2 3.25Å; S1036-E1060 WeakPolarHBondContact CB-OE2 3.38Å; S1036-E1060 PolarHBondContact OG-OE2 3.16Å; R1037-E1060 WeakPolarHBondContact CB-OE1 3.38Å; R1037-E1060 WeakPolarHBondContact CG-OE1 3.27Å; R1037-E1060 PolarHBondContact N-OE1 2.98Å; R1037-E1060 VanDerWaalsContact N-OE1 3.13Å; R1037-E1060 PolarHBondContact N-OE2 3.04Å; L1038-E1060 HydrophobicContact CD1-CB 4.16Å; L1038-E1060 HydrophobicContact CD2-CB 4.21Å; L1038-E1060 HydrophobicContact CG-CB 4.21Å; V1057-E1060 HydrophobicContact CG1-CB 4.12Å; V1057-E1060 HydrophobicContact CG1-CG 4.38Å; E1060-L1141 WeakPolarHBondContact O-CA 3.23Å; E1060-N1142 HydrophobicContact CG-CB 3.83Å; E1060-N1142 PolarHBondContact N-O 3.06Å; E1060-N1142 PolarHBondContact O-N 3.09Å; E1060-N1142 PolarHBondContact OE1-ND2 3.08Å |
| 1061 | G | 89.3 | Confident | 82.8 | Confident | 1.6 Ų | 1.6 | 34.6 Ų | 34.6 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1015 F1016 L1038 L1140 | E1015-G1061 CarbonylContact C-O 3.59Å; E1015-G1061 WeakPolarHBondContact CA-O 3.32Å; F1016-G1061 PolarHBondContact N-O 3.12Å; F1016-G1061 PolarHBondContact O-N 2.94Å; L1038-G1061 WeakPolarHBondContact CD2-O 3.47Å; G1061-L1140 CarbonylContact C-O 3.54Å; G1061-L1140 WeakPolarHBondContact CA-O 3.39Å |
| 1062 | V | 90.1 | Very high | 83.5 | Confident | 10.2 Ų | 10.2 | 30.5 Ų | 30.5 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.8 | -178.3 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | R1013 A1014 E1015 L1038 N1064 L1139 L1140 | R1013-V1062 HydrophobicContact CG-CG1 4.26Å; A1014-V1062 CarbonylContact O-C 3.53Å; E1015-V1062 HydrophobicContact CG-CG1 4.24Å; E1015-V1062 HydrophobicContact CG-CG2 4.16Å; E1015-V1062 WeakPolarHBondContact OE1-CG2 3.46Å; L1038-V1062 HydrophobicContact CD2-CG2 3.65Å; V1062-N1064 WeakPolarHBondContact CG1-OD1 3.25Å; V1062-L1139 WeakPolarHBondContact O-CA 3.4Å; V1062-L1140 HydrophobicContact CB-CB 4.48Å; V1062-L1140 PolarHBondContact N-O 3.11Å; V1062-L1140 PolarHBondContact O-N 3.2Å |
| 1063 | I | 89 | Confident | 83.8 | Confident | 31.8 Ų | 31.8 | 30.2 Ų | 30.2 | 16% | 0.163 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 111.9 | 174.3 | -51.2 | 178.6 | 0 | 0 | 0 | 106.5 | R1013 A1014 F1016 L1066 I1136 T1138 L1139 | R1013-I1063 CarbonylContact C-O 3.5Å; R1013-I1063 VanDerWaalsContact CA-O 3.32Å; R1013-I1063 WeakPolarHBondContact CA-O 3.27Å; A1014-I1063 HydrophobicContact CB-CB 4.36Å; A1014-I1063 PolarHBondContact N-O 3Å; A1014-I1063 PolarHBondContact O-N 2.79Å; F1016-I1063 HydrophobicContact CE1-CD1 4.31Å; F1016-I1063 HydrophobicContact CE1-CG1 4.22Å; I1063-L1066 HydrophobicContact CB-CD1 3.94Å; I1063-L1066 HydrophobicContact CD1-CD1 4.23Å; I1063-L1066 HydrophobicContact CG2-CB 4.36Å; I1063-L1066 HydrophobicContact CG2-CD1 4.15Å; I1063-L1066 HydrophobicContact CG2-CD2 4.37Å; I1063-L1066 HydrophobicContact CG2-CG 3.65Å; I1063-I1136 HydrophobicContact CG2-CD1 4.49Å; I1063-I1136 HydrophobicContact CG2-CG1 4.26Å; I1063-I1136 HydrophobicContact CG2-CG2 3.79Å; I1063-T1138 WeakPolarHBondContact CA-O 3.37Å; I1063-L1139 HydrophobicContact CD1-CD1 4.12Å; I1063-L1139 HydrophobicContact CG1-CD1 3.86Å; I1063-L1139 HydrophobicContact CG1-CG 4.18Å |
| 1064 | N | 86.6 | Confident | 83.5 | Confident | 47.8 Ų | 47.8 | 30.4 Ų | 30.4 | 26% | 0.256 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 142.2 | 176.5 | -60.5 | -52.5 | 0 | 0 | 0 | 110.5 | R1013 V1062 S1137 T1138 | R1013-N1064 WeakPolarHBondContact CD-OD1 3.13Å; R1013-N1064 WeakPolarHBondContact CG-OD1 3.29Å; V1062-N1064 WeakPolarHBondContact CG1-OD1 3.25Å; N1064-S1137 VanDerWaalsContact C-OG 3.26Å; N1064-S1137 WeakPolarHBondContact CB-OG 3.32Å; N1064-S1137 PolarHBondContact O-N 3.09Å; N1064-S1137 PolarHBondContact O-OG 3.15Å; N1064-T1138 WeakPolarHBondContact CB-OG1 3.44Å; N1064-T1138 PolarHBondContact N-O 2.99Å; N1064-T1138 PolarHBondContact ND2-OG1 2.82Å |
| 1065 | S | 83.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 28.5 Ų | 28.5 | 48% | 0.483 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 78.5 | 173.8 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | I1011 S1012 S1137 | I1011-S1065 CarbonylContact O-C 3.59Å; I1011-S1065 WeakPolarHBondContact O-CA 3.41Å; S1012-S1065 WeakPolarHBondContact O-CA 3.41Å; S1012-S1065 PolarHBondContact O-N 3.17Å; S1065-S1137 WeakPolarHBondContact CB-OG 3.22Å; S1065-S1137 PolarHBondContact O-N 2.97Å; S1065-S1137 VanDerWaalsContact O-N 3.13Å; S1065-S1137 PolarHBondContact OG-OG 3.24Å |
| 1066 | L | 86.1 | Confident | 81.7 | Confident | 32 Ų | 32 | 29.9 Ų | 29.9 | 17% | 0.168 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.9 | 173.1 | -163.3 | 162 | 0 | 0 | 0 | 107.8 | D1010 I1011 A1014 I1063 L1068 F1134 S1135 I1136 | D1010-L1066 CarbonylContact C-O 3.54Å; I1011-L1066 HydrophobicContact CB-CB 4.15Å; I1011-L1066 WeakPolarHBondContact CB-O 3.31Å; I1011-L1066 HydrophobicContact CD1-CB 4.28Å; I1011-L1066 HydrophobicContact CD1-CD1 4.35Å; I1011-L1066 HydrophobicContact CD1-CD2 4.03Å; I1011-L1066 HydrophobicContact CG2-CB 4.35Å; I1011-L1066 PolarHBondContact N-O 3.08Å; I1011-L1066 PolarHBondContact O-N 3.06Å; A1014-L1066 HydrophobicContact CB-CD1 4.16Å; I1063-L1066 HydrophobicContact CB-CD1 3.94Å; I1063-L1066 HydrophobicContact CD1-CD1 4.23Å; I1063-L1066 HydrophobicContact CG2-CB 4.36Å; I1063-L1066 HydrophobicContact CG2-CD1 4.15Å; I1063-L1066 HydrophobicContact CG2-CD2 4.37Å; I1063-L1066 HydrophobicContact CG2-CG 3.65Å; L1066-L1068 HydrophobicContact CD2-CB 4.16Å; L1066-F1134 HydrophobicContact CD1-CE1 4.48Å; L1066-F1134 HydrophobicContact CD1-CE2 4.28Å; L1066-F1134 HydrophobicContact CD1-CZ 3.76Å; L1066-F1134 HydrophobicContact CD2-CD2 4.41Å; L1066-F1134 HydrophobicContact CD2-CE2 3.73Å; L1066-F1134 HydrophobicContact CD2-CZ 3.94Å; L1066-F1134 HydrophobicContact CG-CE1 4.35Å; L1066-F1134 HydrophobicContact CG-CE2 4.12Å; L1066-F1134 HydrophobicContact CG-CZ 3.79Å; L1066-S1135 CarbonylContact C-O 3.51Å; L1066-S1135 VanDerWaalsContact CA-O 3.28Å; L1066-S1135 WeakPolarHBondContact CA-O 3.24Å; L1066-I1136 HydrophobicContact CD1-CD1 4.21Å; L1066-I1136 HydrophobicContact CD1-CG1 3.94Å; L1066-I1136 HydrophobicContact CD2-CD1 3.97Å; L1066-I1136 HydrophobicContact CD2-CG1 3.63Å; L1066-I1136 HydrophobicContact CG-CG1 4.38Å |
| 1067 | N | 87.9 | Confident | 80.4 | Confident | 41.6 Ų | 41.6 | 32.1 Ų | 32.1 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.9 | 173 | 177.1 | -37.8 | 0 | 0 | 0 | 109 | F1009 D1010 T1069 F1134 S1135 | F1009-N1067 WeakPolarHBondContact O-CA 3.19Å; D1010-N1067 VanDerWaalsContact OD1-CB 3.28Å; D1010-N1067 WeakPolarHBondContact OD1-CB 3.37Å; D1010-N1067 VanDerWaalsContact OD1-CG 3.22Å; D1010-N1067 PolarHBondContact OD1-ND2 3.04Å; D1010-N1067 PolarHBondContact OD1-OD1 2.83Å; D1010-N1067 PolarHBondContact OD2-ND2 3.15Å; D1010-N1067 VanDerWaalsContact OD2-ND2 3.12Å; N1067-T1069 WeakPolarHBondContact OD1-CG2 3.32Å; N1067-T1069 PolarHBondContact OD1-N 3.06Å; N1067-F1134 CarbonylContact O-C 3.47Å; N1067-F1134 WeakPolarHBondContact O-CA 3.47Å; N1067-S1135 WeakPolarHBondContact CB-OG 3.41Å; N1067-S1135 PolarHBondContact N-O 3.2Å; N1067-S1135 PolarHBondContact O-N 3.28Å; N1067-S1135 PolarHBondContact O-OG 2.95Å; N1067-S1135 VanDerWaalsContact O-OG 3.1Å |
| 1068 | L | 87.4 | Confident | 78.9 | Confident | 43.2 Ų | 43.2 | 36.7 Ų | 36.7 | 23% | 0.226 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.4 | 169.6 | 170.7 | 73.9 | 0 | 0 | 0 | 108.6 | S1008 F1009 L1066 V1070 Q1133 F1134 | S1008-L1068 CarbonylContact C-O 3.52Å; S1008-L1068 VanDerWaalsContact CA-O 3.27Å; S1008-L1068 WeakPolarHBondContact CA-O 3.36Å; S1008-L1068 PolarHBondContact OG-O 3.11Å; F1009-L1068 HydrophobicContact CB-CB 4.39Å; F1009-L1068 HydrophobicContact CD2-CD2 4.13Å; F1009-L1068 PolarHBondContact N-O 3.08Å; F1009-L1068 PolarHBondContact O-N 3.09Å; L1066-L1068 HydrophobicContact CD2-CB 4.16Å; L1068-V1070 HydrophobicContact CD1-CG2 3.91Å; L1068-V1070 HydrophobicContact CD2-CG2 4.12Å; L1068-V1070 VanDerWaalsContact CD2-CG2 3.43Å; L1068-V1070 HydrophobicContact CG-CG2 4Å; L1068-Q1133 WeakPolarHBondContact CA-O 3.38Å; L1068-F1134 HydrophobicContact CB-CD1 4.24Å; L1068-F1134 HydrophobicContact CB-CD2 4.06Å; L1068-F1134 HydrophobicContact CB-CE1 4.3Å; L1068-F1134 HydrophobicContact CD1-CB 4.45Å; L1068-F1134 HydrophobicContact CD1-CD1 3.71Å; L1068-F1134 HydrophobicContact CD1-CD2 4.12Å; L1068-F1134 HydrophobicContact CD1-CE1 3.37Å; L1068-F1134 HydrophobicContact CD1-CE2 3.8Å; L1068-F1134 HydrophobicContact CD1-CG 4.06Å; L1068-F1134 HydrophobicContact CD1-CZ 3.7Å; L1068-F1134 HydrophobicContact CD2-CE1 3.83Å; L1068-F1134 HydrophobicContact CD2-CZ 4.21Å; L1068-F1134 HydrophobicContact CG-CD1 4.24Å; L1068-F1134 HydrophobicContact CG-CE1 3.97Å; L1068-F1134 HydrophobicContact CG-CZ 4.41Å |
| 1069 | T | 87.1 | Confident | 77.3 | Confident | 47.2 Ų | 47.2 | 39.7 Ų | 39.7 | 29% | 0.29 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.2 | 165.4 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | G1007 S1008 N1067 L1132 Q1133 | G1007-T1069 CarbonylContact O-C 3.54Å; G1007-T1069 VanDerWaalsContact O-CA 3.28Å; G1007-T1069 WeakPolarHBondContact O-CA 3.41Å; S1008-T1069 WeakPolarHBondContact OG-CA 3.31Å; S1008-T1069 VanDerWaalsContact OG-CB 3.26Å; S1008-T1069 WeakPolarHBondContact OG-CB 3.41Å; S1008-T1069 WeakPolarHBondContact OG-CG2 3.48Å; N1067-T1069 WeakPolarHBondContact OD1-CG2 3.32Å; N1067-T1069 PolarHBondContact OD1-N 3.06Å; T1069-L1132 WeakPolarHBondContact O-CA 3.46Å; T1069-Q1133 PolarHBondContact N-O 3.11Å; T1069-Q1133 PolarHBondContact O-N 3.15Å; T1069-Q1133 WeakPolarHBondContact OG1-CB 3.42Å; T1069-Q1133 PolarHBondContact OG1-O 2.95Å |
| 1070 | V | 86.6 | Confident | 75.6 | Confident | 38.2 Ų | 38.2 | 40.5 Ų | 40.5 | 23% | 0.232 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.5 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 107 | F989 L1005 S1006 G1007 L1068 T1130 L1132 | F989-V1070 HydrophobicContact CE1-CG2 4.39Å; L1005-V1070 HydrophobicContact CD2-CG1 4.37Å; S1006-V1070 CarbonylContact C-O 3.56Å; S1006-V1070 VanDerWaalsContact CA-O 3.27Å; S1006-V1070 WeakPolarHBondContact CA-O 3.29Å; G1007-V1070 PolarHBondContact N-O 2.96Å; G1007-V1070 PolarHBondContact O-N 3.06Å; L1068-V1070 HydrophobicContact CD1-CG2 3.91Å; L1068-V1070 HydrophobicContact CD2-CG2 4.12Å; L1068-V1070 VanDerWaalsContact CD2-CG2 3.43Å; L1068-V1070 HydrophobicContact CG-CG2 4Å; V1070-T1130 HydrophobicContact CG1-CG2 3.92Å; V1070-L1132 HydrophobicContact CB-CD2 4.07Å; V1070-L1132 HydrophobicContact CG1-CD2 3.76Å; V1070-L1132 HydrophobicContact CG2-CD2 3.67Å |
| 1071 | S | 84 | Confident | 73.9 | Confident | 24.2 Ų | 24.2 | 42.2 Ų | 42.2 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.5 | 164.4 | 82.6 | 0 | 0 | 0 | 0 | 110.6 | L1005 T1130 Q1131 | L1005-S1071 CarbonylContact O-C 3.56Å; L1005-S1071 VanDerWaalsContact O-CA 3.29Å; L1005-S1071 WeakPolarHBondContact O-CA 3.35Å; S1071-T1130 CarbonylContact O-C 3.42Å; S1071-T1130 WeakPolarHBondContact O-CA 3.24Å; S1071-Q1131 PolarHBondContact N-O 2.88Å; S1071-Q1131 PolarHBondContact O-N 3.12Å |
| 1072 | H | 82.1 | Confident | 72.4 | Confident | 32.2 Ų | 32.2 | 44.3 Ų | 44.3 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 116.9 | -175.9 | 178.5 | 73.1 | 0 | 0 | 0 | 109 | K1004 L1005 G1129 T1130 Y1460 T1464 | K1004-H1072 CarbonylContact C-O 3.41Å; K1004-H1072 WeakPolarHBondContact CA-O 3.36Å; L1005-H1072 HydrophobicContact CB-CB 4.3Å; L1005-H1072 PolarHBondContact N-O 3.08Å; L1005-H1072 PolarHBondContact O-N 2.99Å; H1072-G1129 CarbonylContact C-O 3.53Å; H1072-G1129 WeakPolarHBondContact CA-O 3.47Å; H1072-T1130 HydrophobicContact CB-CG2 4.33Å; H1072-T1130 PolarHBondContact ND1-OG1 3.1Å; H1072-Y1460 PolarHBondContact CD2-OH 3.03Å; H1072-Y1460 AromaticContact NE2-CE1 3.62Å; H1072-Y1460 WeakPolarHBondContact NE2-CE1 3.49Å; H1072-Y1460 AromaticContact NE2-CZ 3.52Å; H1072-Y1460 PolarHBondContact NE2-OH 3.22Å; H1072-T1464 VanDerWaalsContact CE1-CG2 3.45Å; H1072-T1464 WeakPolarHBondContact CE1-CG2 3.35Å |
| 1073 | R | 72.7 | Confident | 70.9 | Confident | 78.6 Ų | 78.6 | 46.1 Ų | 46.1 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.2 | 170.8 | -63 | -177.9 | -173.5 | -165.3 | 6.7 | 107.9 | R1003 K1004 E1126 E1127 F1128 G1129 | R1003-R1073 WeakPolarHBondContact O-CA 3.39Å; K1004-R1073 HydrophobicContact CG-CG 4.28Å; R1073-E1126 PolarHBondContact NH1-O 3.46Å; R1073-E1126 PolarHBondContact NH2-O 2.82Å; R1073-E1127 WeakPolarHBondContact CD-O 3.34Å; R1073-E1127 IonicContact CZ-OE1 2.73Å; R1073-E1127 VanDerWaalsContact CZ-OE1 3.32Å; R1073-E1127 IonicContact CZ-OE2 2.78Å; R1073-E1127 PolarHBondContact NH1-O 3.08Å; R1073-E1127 IonicContact NH1-OE1 2.75Å; R1073-E1127 PolarHBondContact NH1-OE1 2.97Å; R1073-E1127 VanDerWaalsContact NH1-OE1 3.15Å; R1073-E1127 IonicContact NH1-OE2 3.4Å; R1073-E1127 PolarHBondContact NH1-OE2 3.17Å; R1073-E1127 IonicContact NH2-OE1 3.02Å; R1073-E1127 PolarHBondContact NH2-OE1 3.32Å; R1073-E1127 IonicContact NH2-OE2 3.55Å; R1073-F1128 HydrophobicContact CB-CD1 4.39Å; R1073-G1129 WeakPolarHBondContact CB-O 3.47Å; R1073-G1129 PolarHBondContact N-O 3.11Å; R1073-G1129 VanDerWaalsContact N-O 3.14Å; R1073-G1129 PolarHBondContact O-N 3.31Å |
| 1074 | S | 66.2 | Low | 69.5 | Low | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 142.6 | 172.3 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | Y1002 R1003 F1128 Y1460 | Y1002-S1074 VanDerWaalsContact CB-O 3.28Å; Y1002-S1074 WeakPolarHBondContact CB-O 3.3Å; Y1002-S1074 WeakPolarHBondContact CD1-O 3.37Å; R1003-S1074 WeakPolarHBondContact CB-OG 3.32Å; R1003-S1074 PolarHBondContact N-OG 3.07Å; R1003-S1074 VanDerWaalsContact N-OG 3.08Å; R1003-S1074 PolarHBondContact O-N 2.99Å; R1003-S1074 PolarHBondContact O-OG 3.04Å; R1003-S1074 VanDerWaalsContact O-OG 3.09Å; S1074-F1128 VanDerWaalsContact O-CD1 3.3Å; S1074-F1128 WeakPolarHBondContact O-CD1 3.36Å; S1074-Y1460 VanDerWaalsContact CB-OH 3.24Å; S1074-Y1460 WeakPolarHBondContact CB-OH 3.31Å |
| 1075 | P | 59.8 | Low | 68.2 | Low | 29.8 Ų | 29.8 | 46.9 Ų | 46.9 | 19% | 0.194 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 155.6 | 169.9 | 25.1 | -33.1 | 0 | 0 | 0 | 111.2 | L1077 A1080 F1128 Y1460 K1463 T1464 | P1075-L1077 PolarHBondContact O-N 3.22Å; P1075-A1080 HydrophobicContact CG-CB 4.33Å; P1075-F1128 HydrophobicContact CB-CD1 4.09Å; P1075-F1128 HydrophobicContact CB-CE1 4.3Å; P1075-F1128 HydrophobicContact CB-CG 4.24Å; P1075-Y1460 HydrophobicContact CG-CD2 4.25Å; P1075-Y1460 HydrophobicContact CG-CE2 4.01Å; P1075-K1463 HydrophobicContact CB-CB 3.65Å; P1075-K1463 HydrophobicContact CG-CB 4.16Å; P1075-T1464 HydrophobicContact CG-CG2 4.37Å |
| 1076 | P | 55.6 | Low | 67 | Low | 55.6 Ų | 55.6 | 45.1 Ų | 45.1 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 139.4 | 178.2 | 24.8 | -32 | 0 | 0 | 0 | 110.7 | Y1002 I1078 D1079 A1080 | Y1002-P1076 HydrophobicContact CE1-CB 3.86Å; Y1002-P1076 HydrophobicContact CE1-CG 4.05Å; P1076-I1078 VanDerWaalsContact C-N 3.26Å; P1076-I1078 CarbonylContact O-C 3.55Å; P1076-I1078 PolarHBondContact O-N 3.06Å; P1076-I1078 VanDerWaalsContact O-O 3.11Å; P1076-D1079 PolarHBondContact O-N 3.45Å; P1076-A1080 WeakPolarHBondContact O-CB 3.33Å; P1076-A1080 PolarHBondContact O-N 2.77Å |
| 1077 | L | 52 | Low | 65.8 | Low | 55.8 Ų | 55.8 | 47.4 Ų | 47.4 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -61.7 | 35.9 | -174.6 | -81.6 | 158 | 0 | 0 | 0 | 112.8 | F931 G932 T1001 P1075 D1079 A1080 | F931-L1077 HydrophobicContact CB-CB 3.84Å; F931-L1077 HydrophobicContact CB-CD1 4.07Å; F931-L1077 HydrophobicContact CB-CD2 3.97Å; F931-L1077 HydrophobicContact CB-CG 4.15Å; F931-L1077 WeakPolarHBondContact O-CD1 3.5Å; G932-L1077 VanDerWaalsContact CA-CD1 3.46Å; T1001-L1077 WeakPolarHBondContact O-CD1 3.26Å; P1075-L1077 PolarHBondContact O-N 3.22Å; L1077-D1079 PolarHBondContact O-N 3.07Å; L1077-D1079 VanDerWaalsContact O-N 3.17Å; L1077-A1080 HydrophobicContact CB-CB 4.49Å; L1077-A1080 PolarHBondContact O-N 3.03Å; L1077-A1080 VanDerWaalsContact O-N 3.09Å |
| 1078 | I | 49.9 | Very low | 64.5 | Low | 96.2 Ų | 96.2 | 50 Ų | 50 | 49% | 0.493 | 26% | 0.263 | S | S | . | . | trans | -67 | 55.7 | 173.1 | -59.3 | 173.9 | 0 | 0 | 0 | 107.9 | D1000 P1076 A1080 T1081 K1082 N1084 Y1460 K1463 | D1000-I1078 HydrophobicContact CB-CD1 4.02Å; D1000-I1078 HydrophobicContact CB-CG1 4.18Å; P1076-I1078 VanDerWaalsContact C-N 3.26Å; P1076-I1078 CarbonylContact O-C 3.55Å; P1076-I1078 PolarHBondContact O-N 3.06Å; P1076-I1078 VanDerWaalsContact O-O 3.11Å; I1078-A1080 VanDerWaalsContact C-N 3.27Å; I1078-A1080 HydrophobicContact CG2-CB 4.01Å; I1078-A1080 WeakPolarHBondContact O-CA 3.11Å; I1078-A1080 WeakPolarHBondContact O-CB 3.08Å; I1078-A1080 PolarHBondContact O-N 3.2Å; I1078-T1081 WeakPolarHBondContact O-CG2 3.28Å; I1078-T1081 PolarHBondContact O-N 2.98Å; I1078-T1081 PolarHBondContact O-OG1 3.3Å; I1078-T1081 VanDerWaalsContact O-OG1 3.13Å; I1078-K1082 WeakPolarHBondContact O-CB 3.34Å; I1078-K1082 PolarHBondContact O-N 2.82Å; I1078-N1084 PolarHBondContact O-ND2 3.08Å; I1078-Y1460 HydrophobicContact CD1-CD2 4.48Å; I1078-K1463 PolarHBondContact O-NZ 3.06Å | ||
| 1079 | D | 49.9 | Very low | 63 | Low | 63.8 Ų | 63.8 | 50.4 Ų | 50.4 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 24.7 | -178.5 | -121 | -7.4 | 0 | 0 | 0 | 112.6 | V929 P1076 L1077 T1081 K1082 W1083 N1084 K1463 | V929-D1079 HydrophobicContact CB-CB 4.21Å; V929-D1079 WeakPolarHBondContact O-CB 3.49Å; P1076-D1079 PolarHBondContact O-N 3.45Å; L1077-D1079 PolarHBondContact O-N 3.07Å; L1077-D1079 VanDerWaalsContact O-N 3.17Å; D1079-T1081 PolarHBondContact O-N 3.17Å; D1079-T1081 VanDerWaalsContact O-N 3.12Å; D1079-T1081 PolarHBondContact OD1-OG1 3.35Å; D1079-K1082 HydrophobicContact CB-CB 3.93Å; D1079-K1082 HydrophobicContact CB-CG 4.48Å; D1079-K1082 PolarHBondContact O-N 3.16Å; D1079-K1082 WeakPolarHBondContact OD2-CB 3.08Å; D1079-K1082 WeakPolarHBondContact OD2-CD 2.97Å; D1079-K1082 VanDerWaalsContact OD2-CE 3.32Å; D1079-K1082 WeakPolarHBondContact OD2-CE 3.43Å; D1079-K1082 WeakPolarHBondContact OD2-CG 3.41Å; D1079-K1082 IonicContact OD2-NZ 3.79Å; D1079-K1082 PolarHBondContact OD2-NZ 2.81Å; D1079-W1083 VanDerWaalsContact O-CB 3.32Å; D1079-W1083 WeakPolarHBondContact O-CB 3.23Å; D1079-W1083 PolarHBondContact O-N 3.07Å; D1079-N1084 PolarHBondContact O-ND2 3.44Å; D1079-K1463 PolarHBondContact O-NZ 2.66Å; D1079-K1463 IonicContact OD1-NZ 3.64Å; D1079-K1463 PolarHBondContact OD1-NZ 2.81Å; D1079-K1463 IonicContact OD2-NZ 2.97Å |
| 1080 | A | 50.5 | Low | 61.5 | Low | 32.4 Ų | 32.4 | 51.3 Ų | 51.3 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.3 | -3.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F931 P1075 P1076 L1077 I1078 K1082 W1083 N1084 S1085 | F931-A1080 WeakPolarHBondContact CD2-O 3.47Å; F931-A1080 PolarHBondContact N-O 2.93Å; P1075-A1080 HydrophobicContact CG-CB 4.33Å; P1076-A1080 WeakPolarHBondContact O-CB 3.33Å; P1076-A1080 PolarHBondContact O-N 2.77Å; L1077-A1080 HydrophobicContact CB-CB 4.49Å; L1077-A1080 PolarHBondContact O-N 3.03Å; L1077-A1080 VanDerWaalsContact O-N 3.09Å; I1078-A1080 VanDerWaalsContact C-N 3.27Å; I1078-A1080 HydrophobicContact CG2-CB 4.01Å; I1078-A1080 WeakPolarHBondContact O-CA 3.11Å; I1078-A1080 WeakPolarHBondContact O-CB 3.08Å; I1078-A1080 PolarHBondContact O-N 3.2Å; A1080-K1082 PolarHBondContact O-N 2.91Å; A1080-W1083 PolarHBondContact O-N 3.18Å; A1080-N1084 WeakPolarHBondContact O-CA 3Å; A1080-N1084 WeakPolarHBondContact O-CB 3.33Å; A1080-N1084 PolarHBondContact O-N 3.3Å; A1080-N1084 PolarHBondContact O-ND2 2.81Å; A1080-N1084 PolarHBondContact O-OD1 2.87Å; A1080-S1085 WeakPolarHBondContact CB-OG 3.36Å |
| 1081 | T | 54.2 | Low | 60.1 | Low | 41.8 Ų | 41.8 | 53.1 Ų | 53.1 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 168.5 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | R927 V929 I1078 D1079 W1083 N1084 S1085 K1463 | R927-T1081 WeakPolarHBondContact O-CB 3.31Å; R927-T1081 VanDerWaalsContact O-CG2 3.27Å; R927-T1081 WeakPolarHBondContact O-CG2 3.44Å; V929-T1081 WeakPolarHBondContact O-CA 3.37Å; I1078-T1081 WeakPolarHBondContact O-CG2 3.28Å; I1078-T1081 PolarHBondContact O-N 2.98Å; I1078-T1081 PolarHBondContact O-OG1 3.3Å; I1078-T1081 VanDerWaalsContact O-OG1 3.13Å; D1079-T1081 PolarHBondContact O-N 3.17Å; D1079-T1081 VanDerWaalsContact O-N 3.12Å; D1079-T1081 PolarHBondContact OD1-OG1 3.35Å; T1081-W1083 CarbonylContact O-C 3.58Å; T1081-W1083 PolarHBondContact O-N 3.37Å; T1081-N1084 PolarHBondContact O-N 3.23Å; T1081-N1084 VanDerWaalsContact OG1-CB 3.31Å; T1081-N1084 WeakPolarHBondContact OG1-CB 3.39Å; T1081-N1084 PolarHBondContact OG1-N 3.43Å; T1081-N1084 PolarHBondContact OG1-ND2 3.03Å; T1081-N1084 VanDerWaalsContact OG1-ND2 3.12Å; T1081-S1085 WeakPolarHBondContact O-CB 3.36Å; T1081-S1085 PolarHBondContact O-N 3.3Å; T1081-S1085 VanDerWaalsContact O-N 3.12Å; T1081-S1085 PolarHBondContact O-OG 3Å; T1081-K1463 WeakPolarHBondContact OG1-CE 3.44Å; T1081-K1463 PolarHBondContact OG1-NZ 3.12Å; T1081-K1463 VanDerWaalsContact OG1-NZ 3.16Å |
| 1082 | K | 58.8 | Low | 58.5 | Low | 44.2 Ų | 44.2 | 57.3 Ų | 57.3 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 175.8 | -132.2 | -177.8 | -170 | 166.2 | 0 | 111.7 | L923 V929 F931 I1078 D1079 A1080 N1084 S1085 Y1086 E1448 C1458 | L923-K1082 VanDerWaalsContact CD2-C 3.45Å; L923-K1082 HydrophobicContact CD2-CB 3.86Å; L923-K1082 VanDerWaalsContact CD2-CB 3.44Å; L923-K1082 HydrophobicContact CD2-CG 4.36Å; L923-K1082 HydrophobicContact CG-CB 4.41Å; V929-K1082 HydrophobicContact CB-CB 4.35Å; V929-K1082 HydrophobicContact CG1-CB 4.02Å; V929-K1082 HydrophobicContact CG1-CD 4.14Å; V929-K1082 HydrophobicContact CG1-CG 4.08Å; V929-K1082 WeakPolarHBondContact O-CB 3.5Å; V929-K1082 WeakPolarHBondContact O-CG 3.21Å; V929-K1082 PolarHBondContact O-N 3.12Å; F931-K1082 HydrophobicContact CD1-CD 4Å; F931-K1082 HydrophobicContact CD1-CG 3.65Å; F931-K1082 HydrophobicContact CD2-CG 3.95Å; F931-K1082 HydrophobicContact CE1-CB 3.96Å; F931-K1082 HydrophobicContact CE1-CD 3.79Å; F931-K1082 HydrophobicContact CE1-CG 3.64Å; F931-K1082 HydrophobicContact CE2-CB 4.06Å; F931-K1082 HydrophobicContact CE2-CG 3.86Å; F931-K1082 HydrophobicContact CG-CG 3.84Å; F931-K1082 VanDerWaalsContact CZ-CA 3.47Å; F931-K1082 HydrophobicContact CZ-CB 3.65Å; F931-K1082 HydrophobicContact CZ-CD 4.22Å; F931-K1082 HydrophobicContact CZ-CG 3.6Å; I1078-K1082 WeakPolarHBondContact O-CB 3.34Å; I1078-K1082 PolarHBondContact O-N 2.82Å; D1079-K1082 HydrophobicContact CB-CB 3.93Å; D1079-K1082 HydrophobicContact CB-CG 4.48Å; D1079-K1082 PolarHBondContact O-N 3.16Å; D1079-K1082 WeakPolarHBondContact OD2-CB 3.08Å; D1079-K1082 WeakPolarHBondContact OD2-CD 2.97Å; D1079-K1082 VanDerWaalsContact OD2-CE 3.32Å; D1079-K1082 WeakPolarHBondContact OD2-CE 3.43Å; D1079-K1082 WeakPolarHBondContact OD2-CG 3.41Å; D1079-K1082 IonicContact OD2-NZ 3.79Å; D1079-K1082 PolarHBondContact OD2-NZ 2.81Å; A1080-K1082 PolarHBondContact O-N 2.91Å; K1082-N1084 PolarHBondContact O-N 3.2Å; K1082-S1085 WeakPolarHBondContact O-CB 3.48Å; K1082-S1085 PolarHBondContact O-N 3.2Å; K1082-S1085 VanDerWaalsContact O-N 3.12Å; K1082-Y1086 HydrophobicContact CD-CE2 4.43Å; K1082-Y1086 HydrophobicContact CG-CD2 3.95Å; K1082-Y1086 HydrophobicContact CG-CE2 3.83Å; K1082-Y1086 WeakPolarHBondContact O-CB 3.42Å; K1082-Y1086 VanDerWaalsContact O-CD2 3.29Å; K1082-Y1086 WeakPolarHBondContact O-CD2 3.43Å; K1082-Y1086 PolarHBondContact O-N 3.08Å; K1082-Y1086 VanDerWaalsContact O-N 3.16Å; K1082-E1448 WeakPolarHBondContact CE-OE1 3.36Å; K1082-E1448 IonicContact NZ-OE1 3.13Å; K1082-E1448 PolarHBondContact NZ-OE1 3.2Å; K1082-E1448 IonicContact NZ-OE2 3.59Å; K1082-E1448 PolarHBondContact NZ-OE2 2.94Å; K1082-C1458 HydrophobicContact CD-CB 4.28Å; K1082-C1458 HydrophobicContact CG-CB 4.28Å |
| 1083 | W | 59.5 | Low | 56.6 | Low | 48.6 Ų | 48.6 | 62.1 Ų | 62.1 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 175.1 | -176.1 | 102.4 | 0 | 0 | 0 | 112.2 | L923 R927 D1079 A1080 T1081 S1085 Y1086 K1087 L1299 D1302 F1303 | L923-W1083 HydrophobicContact CD2-CB 4.24Å; L923-W1083 HydrophobicContact CD2-CE3 4.46Å; L923-W1083 VanDerWaalsContact CD2-N 3.29Å; L923-W1083 WeakPolarHBondContact O-CH2 3.43Å; L923-W1083 WeakPolarHBondContact O-CZ3 3.36Å; R927-W1083 HydrophobicContact CB-CD2 4.44Å; R927-W1083 HydrophobicContact CB-CG 4.46Å; R927-W1083 HydrophobicContact CG-CD2 4.31Å; R927-W1083 HydrophobicContact CG-CE3 4.15Å; R927-W1083 HydrophobicContact CG-CG 4.32Å; R927-W1083 HydrophobicContact CG-CH2 3.99Å; R927-W1083 HydrophobicContact CG-CZ2 4.28Å; R927-W1083 HydrophobicContact CG-CZ3 3.96Å; D1079-W1083 VanDerWaalsContact O-CB 3.32Å; D1079-W1083 WeakPolarHBondContact O-CB 3.23Å; D1079-W1083 PolarHBondContact O-N 3.07Å; A1080-W1083 PolarHBondContact O-N 3.18Å; T1081-W1083 CarbonylContact O-C 3.58Å; T1081-W1083 PolarHBondContact O-N 3.37Å; W1083-S1085 VanDerWaalsContact C-N 3.32Å; W1083-S1085 PolarHBondContact O-N 2.97Å; W1083-Y1086 PolarHBondContact O-N 2.85Å; W1083-K1087 HydrophobicContact CH2-CD 3.53Å; W1083-K1087 HydrophobicContact CZ2-CD 3.79Å; W1083-K1087 HydrophobicContact CZ3-CB 4.5Å; W1083-K1087 HydrophobicContact CZ3-CD 4Å; W1083-K1087 VanDerWaalsContact O-CB 3.29Å; W1083-K1087 WeakPolarHBondContact O-CB 3.41Å; W1083-K1087 PolarHBondContact O-N 2.97Å; W1083-L1299 HydrophobicContact CH2-CB 4.07Å; W1083-L1299 HydrophobicContact CH2-CD1 4.32Å; W1083-L1299 HydrophobicContact CH2-CD2 3.79Å; W1083-L1299 HydrophobicContact CH2-CG 4.26Å; W1083-L1299 HydrophobicContact CZ2-CD2 4.25Å; W1083-D1302 HydrophobicContact CZ2-CB 4.09Å; W1083-D1302 VanDerWaalsContact CZ2-CG 3.47Å; W1083-D1302 VanDerWaalsContact CZ2-OD2 3.25Å; W1083-D1302 WeakPolarHBondContact CZ2-OD2 3.31Å; W1083-F1303 AromaticContact CD1-CE2 3.76Å; W1083-F1303 AromaticContact CD1-CZ 3.4Å; W1083-F1303 VanDerWaalsContact CD1-CZ 3.45Å; W1083-F1303 HydrophobicContact CD2-CE2 4.48Å; W1083-F1303 AromaticContact CD2-CZ 3.87Å; W1083-F1303 HydrophobicContact CD2-CZ 3.87Å; W1083-F1303 AromaticContact CE2-CZ 3.68Å; W1083-F1303 HydrophobicContact CE3-CZ 4.11Å; W1083-F1303 AromaticContact CG-CZ 3.99Å; W1083-F1303 HydrophobicContact CG-CZ 4.27Å; W1083-F1303 AromaticContact CH2-CE2 3.56Å; W1083-F1303 HydrophobicContact CH2-CE2 3.56Å; W1083-F1303 AromaticContact CH2-CZ 3.93Å; W1083-F1303 HydrophobicContact CH2-CZ 3.93Å; W1083-F1303 AromaticContact CZ2-CE2 3.54Å; W1083-F1303 HydrophobicContact CZ2-CE2 3.54Å; W1083-F1303 AromaticContact CZ2-CZ 3.71Å; W1083-F1303 HydrophobicContact CZ2-CZ 3.71Å; W1083-F1303 HydrophobicContact CZ3-CE2 4.09Å; W1083-F1303 HydrophobicContact CZ3-CZ 4.15Å; W1083-F1303 AromaticContact NE1-CE2 3.63Å; W1083-F1303 AromaticContact NE1-CZ 3.53Å |
| 1084 | N | 58.7 | Low | 55.1 | Low | 71 Ų | 71 | 66.9 Ų | 66.9 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.8 | -75.9 | -18 | 0 | 0 | 0 | 111.8 | I1078 D1079 A1080 T1081 K1082 Y1086 K1087 Q1088 | I1078-N1084 PolarHBondContact O-ND2 3.08Å; D1079-N1084 PolarHBondContact O-ND2 3.44Å; A1080-N1084 WeakPolarHBondContact O-CA 3Å; A1080-N1084 WeakPolarHBondContact O-CB 3.33Å; A1080-N1084 PolarHBondContact O-N 3.3Å; A1080-N1084 PolarHBondContact O-ND2 2.81Å; A1080-N1084 PolarHBondContact O-OD1 2.87Å; T1081-N1084 PolarHBondContact O-N 3.23Å; T1081-N1084 VanDerWaalsContact OG1-CB 3.31Å; T1081-N1084 WeakPolarHBondContact OG1-CB 3.39Å; T1081-N1084 PolarHBondContact OG1-N 3.43Å; T1081-N1084 PolarHBondContact OG1-ND2 3.03Å; T1081-N1084 VanDerWaalsContact OG1-ND2 3.12Å; K1082-N1084 PolarHBondContact O-N 3.2Å; N1084-Y1086 PolarHBondContact O-N 3.15Å; N1084-K1087 CarbonylContact O-C 3.54Å; N1084-K1087 PolarHBondContact O-N 3.04Å; N1084-Q1088 VanDerWaalsContact O-CB 3.3Å; N1084-Q1088 WeakPolarHBondContact O-CB 3.27Å; N1084-Q1088 WeakPolarHBondContact O-CG 3.43Å; N1084-Q1088 PolarHBondContact O-N 2.99Å |
| 1085 | S | 59.3 | Low | 53.5 | Low | 26.4 Ų | 26.4 | 69.9 Ų | 69.9 | 19% | 0.185 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | F931 A1080 T1081 K1082 W1083 K1087 Q1088 L1089 R1116 C1458 K1463 | F931-S1085 WeakPolarHBondContact CE2-OG 3.32Å; A1080-S1085 WeakPolarHBondContact CB-OG 3.36Å; T1081-S1085 WeakPolarHBondContact O-CB 3.36Å; T1081-S1085 PolarHBondContact O-N 3.3Å; T1081-S1085 VanDerWaalsContact O-N 3.12Å; T1081-S1085 PolarHBondContact O-OG 3Å; K1082-S1085 WeakPolarHBondContact O-CB 3.48Å; K1082-S1085 PolarHBondContact O-N 3.2Å; K1082-S1085 VanDerWaalsContact O-N 3.12Å; W1083-S1085 VanDerWaalsContact C-N 3.32Å; W1083-S1085 PolarHBondContact O-N 2.97Å; S1085-K1087 VanDerWaalsContact C-N 3.34Å; S1085-K1087 PolarHBondContact O-N 3.03Å; S1085-Q1088 PolarHBondContact O-N 3.18Å; S1085-L1089 WeakPolarHBondContact O-CB 3.29Å; S1085-L1089 VanDerWaalsContact O-CD1 3.3Å; S1085-L1089 WeakPolarHBondContact O-CD1 3.38Å; S1085-L1089 VanDerWaalsContact O-CG 3.27Å; S1085-L1089 WeakPolarHBondContact O-CG 3.42Å; S1085-L1089 PolarHBondContact O-N 2.88Å; S1085-L1089 VanDerWaalsContact O-N 3.12Å; S1085-R1116 PolarHBondContact OG-NH2 2.82Å; S1085-C1458 WeakPolarHBondContact CB-SG 3.05Å; S1085-K1463 WeakPolarHBondContact OG-CE 3.35Å; S1085-K1463 PolarHBondContact OG-NZ 2.89Å |
| 1086 | Y | 59.6 | Low | 52.3 | Low | 29.8 Ų | 29.8 | 74.2 Ų | 74.2 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 176 | -103 | -79.9 | 0 | 0 | 0 | 112.2 | L923 K1082 W1083 N1084 Q1088 L1089 L1090 E1440 V1441 V1455 F1637 | L923-Y1086 HydrophobicContact CD1-CD2 3.85Å; L923-Y1086 HydrophobicContact CD1-CE2 4.08Å; L923-Y1086 HydrophobicContact CD1-CG 4.18Å; L923-Y1086 HydrophobicContact CD2-CD2 4.36Å; K1082-Y1086 HydrophobicContact CD-CE2 4.43Å; K1082-Y1086 HydrophobicContact CG-CD2 3.95Å; K1082-Y1086 HydrophobicContact CG-CE2 3.83Å; K1082-Y1086 WeakPolarHBondContact O-CB 3.42Å; K1082-Y1086 VanDerWaalsContact O-CD2 3.29Å; K1082-Y1086 WeakPolarHBondContact O-CD2 3.43Å; K1082-Y1086 PolarHBondContact O-N 3.08Å; K1082-Y1086 VanDerWaalsContact O-N 3.16Å; W1083-Y1086 PolarHBondContact O-N 2.85Å; N1084-Y1086 PolarHBondContact O-N 3.15Å; Y1086-Q1088 VanDerWaalsContact C-N 3.34Å; Y1086-Q1088 PolarHBondContact O-N 2.84Å; Y1086-L1089 PolarHBondContact O-N 3.16Å; Y1086-L1090 HydrophobicContact CD1-CD1 4.07Å; Y1086-L1090 HydrophobicContact CD1-CG 4.18Å; Y1086-L1090 HydrophobicContact CE1-CD1 3.99Å; Y1086-L1090 HydrophobicContact CE1-CG 4.43Å; Y1086-L1090 VanDerWaalsContact O-CB 3.3Å; Y1086-L1090 WeakPolarHBondContact O-CB 3.24Å; Y1086-L1090 WeakPolarHBondContact O-CD1 3.27Å; Y1086-L1090 VanDerWaalsContact O-CG 3.3Å; Y1086-L1090 WeakPolarHBondContact O-CG 3.32Å; Y1086-L1090 PolarHBondContact O-N 3.15Å; Y1086-E1440 HydrophobicContact CE1-CG 4.11Å; Y1086-E1440 WeakPolarHBondContact CE1-OE1 3.45Å; Y1086-E1440 WeakPolarHBondContact OH-CG 3.09Å; Y1086-E1440 PolarHBondContact OH-OE1 3.44Å; Y1086-V1441 HydrophobicContact CD1-CG2 3.76Å; Y1086-V1441 HydrophobicContact CE1-CG2 4.03Å; Y1086-V1441 HydrophobicContact CG-CG2 4.29Å; Y1086-V1455 HydrophobicContact CD2-CG1 4.43Å; Y1086-V1455 HydrophobicContact CD2-CG2 4.13Å; Y1086-V1455 HydrophobicContact CE2-CG1 4.33Å; Y1086-V1455 HydrophobicContact CE2-CG2 3.78Å; Y1086-V1455 VanDerWaalsContact CE2-CG2 3.5Å; Y1086-V1455 WeakPolarHBondContact OH-CG2 3.32Å; Y1086-F1637 AromaticContact CE1-CD2 3.7Å; Y1086-F1637 HydrophobicContact CE1-CD2 3.7Å; Y1086-F1637 AromaticContact CE1-CE2 3.99Å; Y1086-F1637 HydrophobicContact CE1-CE2 4.06Å; Y1086-F1637 HydrophobicContact CE2-CD2 4.36Å; Y1086-F1637 AromaticContact CZ-CD2 3.55Å; Y1086-F1637 VanDerWaalsContact OH-CD2 3.32Å; Y1086-F1637 WeakPolarHBondContact OH-CD2 3.41Å |
| 1087 | K | 60.2 | Low | 51.2 | Low | 80 Ų | 80 | 78.1 Ų | 78.1 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.6 | -158.4 | 171.2 | -177.9 | 172.8 | 0 | 111.9 | W1083 N1084 S1085 L1089 L1090 S1091 D1302 | W1083-K1087 HydrophobicContact CH2-CD 3.53Å; W1083-K1087 HydrophobicContact CZ2-CD 3.79Å; W1083-K1087 HydrophobicContact CZ3-CB 4.5Å; W1083-K1087 HydrophobicContact CZ3-CD 4Å; W1083-K1087 VanDerWaalsContact O-CB 3.29Å; W1083-K1087 WeakPolarHBondContact O-CB 3.41Å; W1083-K1087 PolarHBondContact O-N 2.97Å; N1084-K1087 CarbonylContact O-C 3.54Å; N1084-K1087 PolarHBondContact O-N 3.04Å; S1085-K1087 VanDerWaalsContact C-N 3.34Å; S1085-K1087 PolarHBondContact O-N 3.03Å; K1087-L1089 VanDerWaalsContact C-N 3.26Å; K1087-L1089 PolarHBondContact O-N 2.98Å; K1087-L1090 PolarHBondContact O-N 3.02Å; K1087-L1090 VanDerWaalsContact O-N 3.07Å; K1087-S1091 VanDerWaalsContact O-CB 3.24Å; K1087-S1091 WeakPolarHBondContact O-CB 3.23Å; K1087-S1091 PolarHBondContact O-N 2.96Å; K1087-S1091 PolarHBondContact O-OG 2.99Å; K1087-S1091 VanDerWaalsContact O-OG 3.1Å; K1087-D1302 HydrophobicContact CD-CB 4.38Å; K1087-D1302 WeakPolarHBondContact CE-OD1 3.38Å; K1087-D1302 IonicContact NZ-OD1 3.21Å; K1087-D1302 PolarHBondContact NZ-OD1 3.05Å; K1087-D1302 IonicContact NZ-OD2 2.95Å; K1087-D1302 PolarHBondContact NZ-OD2 2.86Å |
| 1088 | Q | 59.9 | Low | 50.4 | Low | 97 Ų | 97 | 79.5 Ų | 79.5 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 177.7 | -141.5 | 174.6 | -9.1 | 0 | 0 | 111.5 | N1084 S1085 Y1086 L1090 S1091 Q1092 | N1084-Q1088 VanDerWaalsContact O-CB 3.3Å; N1084-Q1088 WeakPolarHBondContact O-CB 3.27Å; N1084-Q1088 WeakPolarHBondContact O-CG 3.43Å; N1084-Q1088 PolarHBondContact O-N 2.99Å; S1085-Q1088 PolarHBondContact O-N 3.18Å; Y1086-Q1088 VanDerWaalsContact C-N 3.34Å; Y1086-Q1088 PolarHBondContact O-N 2.84Å; Q1088-L1090 VanDerWaalsContact C-N 3.33Å; Q1088-L1090 PolarHBondContact O-N 3.22Å; Q1088-S1091 WeakPolarHBondContact CA-OG 3.32Å; Q1088-S1091 PolarHBondContact O-N 3.18Å; Q1088-S1091 PolarHBondContact O-OG 3.27Å; Q1088-Q1092 WeakPolarHBondContact O-CG 3.37Å; Q1088-Q1092 PolarHBondContact O-N 3.05Å; Q1088-Q1092 VanDerWaalsContact O-N 3.15Å |
| 1089 | L | 57.2 | Low | 49.9 | Very low | 52.2 Ų | 52.2 | 81.7 Ų | 81.7 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.8 | -71.1 | 166.8 | 0 | 0 | 0 | 112.6 | S1085 Y1086 K1087 S1091 Q1092 E1093 V1455 W1524 L1526 F1637 | S1085-L1089 WeakPolarHBondContact O-CB 3.29Å; S1085-L1089 VanDerWaalsContact O-CD1 3.3Å; S1085-L1089 WeakPolarHBondContact O-CD1 3.38Å; S1085-L1089 VanDerWaalsContact O-CG 3.27Å; S1085-L1089 WeakPolarHBondContact O-CG 3.42Å; S1085-L1089 PolarHBondContact O-N 2.88Å; S1085-L1089 VanDerWaalsContact O-N 3.12Å; Y1086-L1089 PolarHBondContact O-N 3.16Å; K1087-L1089 VanDerWaalsContact C-N 3.26Å; K1087-L1089 PolarHBondContact O-N 2.98Å; L1089-S1091 VanDerWaalsContact C-N 3.3Å; L1089-S1091 PolarHBondContact O-N 2.93Å; L1089-Q1092 PolarHBondContact O-N 3.35Å; L1089-E1093 PolarHBondContact O-N 3.27Å; L1089-E1093 VanDerWaalsContact O-N 3.08Å; L1089-V1455 HydrophobicContact CD1-CG1 3.99Å; L1089-W1524 HydrophobicContact CD2-CD2 3.9Å; L1089-W1524 HydrophobicContact CD2-CG 3.94Å; L1089-W1524 HydrophobicContact CD2-CZ2 4.15Å; L1089-L1526 HydrophobicContact CD2-CD1 3.8Å; L1089-L1526 HydrophobicContact CD2-CD2 3.53Å; L1089-L1526 HydrophobicContact CD2-CG 4.09Å; L1089-F1637 HydrophobicContact CD1-CE2 3.51Å; L1089-F1637 HydrophobicContact CD1-CZ 3.52Å; L1089-F1637 VanDerWaalsContact CD1-CZ 3.46Å |
| 1090 | L | 55.8 | Low | 49.5 | Very low | 65.8 Ų | 65.8 | 87.2 Ų | 87.2 | 35% | 0.345 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -77.8 | -26.3 | 178.5 | -69.2 | 169 | 0 | 0 | 0 | 113.1 | Y1086 K1087 Q1088 Q1092 E1093 Y1094 F1303 V1305 P1438 | Y1086-L1090 HydrophobicContact CD1-CD1 4.07Å; Y1086-L1090 HydrophobicContact CD1-CG 4.18Å; Y1086-L1090 HydrophobicContact CE1-CD1 3.99Å; Y1086-L1090 HydrophobicContact CE1-CG 4.43Å; Y1086-L1090 VanDerWaalsContact O-CB 3.3Å; Y1086-L1090 WeakPolarHBondContact O-CB 3.24Å; Y1086-L1090 WeakPolarHBondContact O-CD1 3.27Å; Y1086-L1090 VanDerWaalsContact O-CG 3.3Å; Y1086-L1090 WeakPolarHBondContact O-CG 3.32Å; Y1086-L1090 PolarHBondContact O-N 3.15Å; K1087-L1090 PolarHBondContact O-N 3.02Å; K1087-L1090 VanDerWaalsContact O-N 3.07Å; Q1088-L1090 VanDerWaalsContact C-N 3.33Å; Q1088-L1090 PolarHBondContact O-N 3.22Å; L1090-Q1092 VanDerWaalsContact C-N 3.31Å; L1090-Q1092 PolarHBondContact O-N 2.96Å; L1090-E1093 PolarHBondContact O-N 3.4Å; L1090-Y1094 HydrophobicContact CD2-CE2 4.1Å; L1090-Y1094 WeakPolarHBondContact O-CD2 3.24Å; L1090-Y1094 PolarHBondContact O-N 3.27Å; L1090-F1303 HydrophobicContact CD1-CB 4.3Å; L1090-F1303 HydrophobicContact CD1-CD1 3.84Å; L1090-V1305 HydrophobicContact CD2-CG2 4.24Å; L1090-P1438 HydrophobicContact CD1-CG 4.44Å; L1090-P1438 HydrophobicContact CD2-CG 4.13Å |
| 1091 | S | 55.6 | Low | 48.9 | Very low | 75.4 Ų | 75.4 | 92.6 Ų | 92.6 | 53% | 0.527 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -83.4 | -14.7 | -178.1 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | K1087 Q1088 L1089 E1093 A1095 | K1087-S1091 VanDerWaalsContact O-CB 3.24Å; K1087-S1091 WeakPolarHBondContact O-CB 3.23Å; K1087-S1091 PolarHBondContact O-N 2.96Å; K1087-S1091 PolarHBondContact O-OG 2.99Å; K1087-S1091 VanDerWaalsContact O-OG 3.1Å; Q1088-S1091 WeakPolarHBondContact CA-OG 3.32Å; Q1088-S1091 PolarHBondContact O-N 3.18Å; Q1088-S1091 PolarHBondContact O-OG 3.27Å; L1089-S1091 VanDerWaalsContact C-N 3.3Å; L1089-S1091 PolarHBondContact O-N 2.93Å; S1091-E1093 VanDerWaalsContact C-N 3.28Å; S1091-E1093 PolarHBondContact O-N 2.92Å; S1091-A1095 WeakPolarHBondContact O-CB 3.29Å; S1091-A1095 PolarHBondContact O-N 3.42Å; S1091-A1095 VanDerWaalsContact O-N 3.17Å |
| 1092 | Q | 51.4 | Low | 48 | Very low | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | trans | -79.8 | 2.6 | 177.5 | -75.8 | -174.5 | -24.2 | 0 | 0 | 113 | Q1088 L1089 L1090 Y1094 R1309 | Q1088-Q1092 WeakPolarHBondContact O-CG 3.37Å; Q1088-Q1092 PolarHBondContact O-N 3.05Å; Q1088-Q1092 VanDerWaalsContact O-N 3.15Å; L1089-Q1092 PolarHBondContact O-N 3.35Å; L1090-Q1092 VanDerWaalsContact C-N 3.31Å; L1090-Q1092 PolarHBondContact O-N 2.96Å; Q1092-Y1094 PolarHBondContact O-N 2.93Å; Q1092-R1309 PolarHBondContact O-NH2 2.67Å | ||
| 1093 | E | 42.5 | Very low | 46.9 | Very low | 133.2 Ų | 133.2 | 103.4 Ų | 103.4 | 62% | 0.622 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -75.2 | 74 | 170.7 | -84.5 | -168.8 | 158.2 | 0 | 0 | 112.1 | L1089 L1090 S1091 A1095 L1526 | L1089-E1093 PolarHBondContact O-N 3.27Å; L1089-E1093 VanDerWaalsContact O-N 3.08Å; L1090-E1093 PolarHBondContact O-N 3.4Å; S1091-E1093 VanDerWaalsContact C-N 3.28Å; S1091-E1093 PolarHBondContact O-N 2.92Å; E1093-A1095 PolarHBondContact O-N 2.97Å; E1093-L1526 HydrophobicContact CG-CD2 3.52Å |
| 1094 | Y | 39.8 | Very low | 45.7 | Very low | 179.8 Ų | 179.8 | 110 Ų | 110 | 71% | 0.705 | 57% | 0.568 | S | S | * | * | trans | -108.8 | 56.3 | 171.9 | -65.6 | -84.3 | 0 | 0 | 0 | 114.3 | L1090 Q1092 P1096 V1305 R1309 | L1090-Y1094 HydrophobicContact CD2-CE2 4.1Å; L1090-Y1094 WeakPolarHBondContact O-CD2 3.24Å; L1090-Y1094 PolarHBondContact O-N 3.27Å; Q1092-Y1094 PolarHBondContact O-N 2.93Å; Y1094-P1096 WeakPolarHBondContact O-CD 3.36Å; Y1094-V1305 HydrophobicContact CD1-CG1 3.99Å; Y1094-V1305 HydrophobicContact CD2-CG1 4.01Å; Y1094-V1305 HydrophobicContact CD2-CG2 4.28Å; Y1094-V1305 HydrophobicContact CE1-CG1 3.7Å; Y1094-V1305 HydrophobicContact CE2-CB 4.42Å; Y1094-V1305 HydrophobicContact CE2-CG1 3.74Å; Y1094-V1305 HydrophobicContact CE2-CG2 3.71Å; Y1094-V1305 HydrophobicContact CG-CG1 4.16Å; Y1094-R1309 PolarHBondContact O-NH1 3.18Å | ||
| 1095 | A | 34 | Very low | 44.4 | Very low | 77.6 Ų | 77.6 | 113 Ų | 113 | 64% | 0.641 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -86 | 119.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S1091 E1093 L1097 | S1091-A1095 WeakPolarHBondContact O-CB 3.29Å; S1091-A1095 PolarHBondContact O-N 3.42Å; S1091-A1095 VanDerWaalsContact O-N 3.17Å; E1093-A1095 PolarHBondContact O-N 2.97Å; A1095-L1097 PolarHBondContact O-N 2.91Å |
| 1096 | P | 33 | Very low | 43.2 | Very low | 119.8 Ų | 119.8 | 120.8 Ų | 120.8 | 78% | 0.778 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128.8 | 168 | 28.4 | -30.8 | 0 | 0 | 0 | 108.1 | Y1094 S1098 | Y1094-P1096 WeakPolarHBondContact O-CD 3.36Å; P1096-S1098 PolarHBondContact O-N 3.06Å |
| 1097 | L | 33.9 | Very low | 41.8 | Very low | 136.8 Ų | 136.8 | 129 Ų | 129 | 72% | 0.716 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.9 | 164.8 | -71.1 | 163.1 | 0 | 0 | 0 | 107.5 | A1095 D1099 | A1095-L1097 PolarHBondContact O-N 2.91Å; L1097-D1099 PolarHBondContact O-N 2.9Å |
| 1098 | S | 35.3 | Very low | 40.3 | Very low | 85.2 Ų | 85.2 | 128.2 Ų | 128.2 | 60% | 0.596 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.6 | 175.2 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | P1096 E1100 E1101 | P1096-S1098 PolarHBondContact O-N 3.06Å; S1098-E1100 PolarHBondContact O-N 3.09Å; S1098-E1101 PolarHBondContact O-N 3.02Å |
| 1099 | D | 39.8 | Very low | 38.8 | Very low | 143.6 Ų | 143.6 | 131.1 Ų | 131.1 | 77% | 0.768 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 8.9 | -174.4 | -58.7 | -39.9 | 0 | 0 | 0 | 115.6 | L1097 | L1097-D1099 PolarHBondContact O-N 2.9Š|
| 1100 | E | 41 | Very low | 37.5 | Very low | 179.2 Ų | 179.2 | 133.1 Ų | 133.1 | 84% | 0.837 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 3 | -179.4 | -63.7 | -168.4 | 156.9 | 0 | 0 | 113.5 | S1098 | S1098-E1100 PolarHBondContact O-N 3.09Š|
| 1101 | E | 37.2 | Very low | 36.4 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -116 | 5.4 | 175.2 | -75.1 | -177.1 | 165.9 | 0 | 0 | 114.2 | S1098 N1103 | S1098-E1101 PolarHBondContact O-N 3.02Å; E1101-N1103 VanDerWaalsContact C-N 3.33Å; E1101-N1103 PolarHBondContact O-N 3.02Å; E1101-N1103 VanDerWaalsContact O-N 3.1Å |
| 1102 | E | 34.6 | Very low | 35.3 | Very low | 164.6 Ų | 164.6 | 136.5 Ų | 136.5 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5.6 | -178.9 | -86.2 | -161.8 | 155.4 | 0 | 0 | 115.1 | ||
| 1103 | N | 35.4 | Very low | 34.4 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 8.7 | -175.9 | -81.7 | -51.2 | 0 | 0 | 0 | 115.1 | E1101 | E1101-N1103 VanDerWaalsContact C-N 3.33Å; E1101-N1103 PolarHBondContact O-N 3.02Å; E1101-N1103 VanDerWaalsContact O-N 3.1Å |
| 1104 | E | 34.4 | Very low | 34 | Very low | 186.6 Ų | 186.6 | 132.9 Ų | 132.9 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -115.8 | 9.7 | 177.2 | -65 | -161.8 | 153.4 | 0 | 0 | 115.4 | K1106 | E1104-K1106 VanDerWaalsContact C-N 3.29Å; E1104-K1106 PolarHBondContact O-N 3.17Å; E1104-K1106 VanDerWaalsContact O-N 3.07Å |
| 1105 | L | 33.3 | Very low | 33.6 | Very low | 134.8 Ų | 134.8 | 130.4 Ų | 130.4 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -109.4 | 77.5 | 172.1 | -88.4 | 139.8 | 0 | 0 | 0 | 113 | I1112 | L1105-I1112 HydrophobicContact CD1-CD1 4.5Š| ||
| 1106 | K | 32.7 | Very low | 33.7 | Very low | 188.6 Ų | 188.6 | 134.6 Ų | 134.6 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -112.1 | 116.9 | 161.5 | -76.3 | 178.3 | -180 | 165.7 | 0 | 110 | E1104 G1108 | E1104-K1106 VanDerWaalsContact C-N 3.29Å; E1104-K1106 PolarHBondContact O-N 3.17Å; E1104-K1106 VanDerWaalsContact O-N 3.07Å; K1106-G1108 PolarHBondContact O-N 3.09Å |
| 1107 | E | 29.8 | Very low | 33.8 | Very low | 203.4 Ų | 203.4 | 133.8 Ų | 133.8 | 95% | 0.95 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 72.2 | 98.5 | 175.4 | -67.1 | 176.5 | 175.9 | 0 | 0 | 113.7 | ||
| 1108 | G | 28.7 | Very low | 33.8 | Very low | 63.2 Ų | 63.2 | 131.1 Ų | 131.1 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 156.8 | 121.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1106 A1110 | K1106-G1108 PolarHBondContact O-N 3.09Å; G1108-A1110 PolarHBondContact O-N 3.09Å |
| 1109 | D | 29.4 | Very low | 33.7 | Very low | 157.8 Ų | 157.8 | 135.1 Ų | 135.1 | 84% | 0.844 | 71% | 0.707 | S | S | * | * | trans | -31.3 | 96.3 | 171.4 | -69.5 | -41.2 | 0 | 0 | 0 | 114.6 | S1111 | D1109-S1111 PolarHBondContact O-N 3.05Š| ||
| 1110 | A | 30.3 | Very low | 33.4 | Very low | 92.8 Ų | 92.8 | 135.1 Ų | 135.1 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | trans | -86.8 | 61.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1108 I1112 | G1108-A1110 PolarHBondContact O-N 3.09Å; A1110-I1112 VanDerWaalsContact C-N 3.33Å; A1110-I1112 HydrophobicContact CB-CG1 4.02Å; A1110-I1112 PolarHBondContact O-N 3.01Å; A1110-I1112 VanDerWaalsContact O-N 3.17Å | ||
| 1111 | S | 31.8 | Very low | 33 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | trans | -87.4 | 88.6 | 163.7 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | D1109 S1113 | D1109-S1111 PolarHBondContact O-N 3.05Å; S1111-S1113 VanDerWaalsContact C-N 3.33Å; S1111-S1113 PolarHBondContact O-N 3.23Å | ||
| 1112 | I | 32.2 | Very low | 32.8 | Very low | 131.2 Ų | 131.2 | 135.7 Ų | 135.7 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | trans | -74.6 | 74.1 | 178.5 | -59.4 | 175 | 0 | 0 | 0 | 109.6 | L1105 A1110 L1114 | L1105-I1112 HydrophobicContact CD1-CD1 4.5Å; A1110-I1112 VanDerWaalsContact C-N 3.33Å; A1110-I1112 HydrophobicContact CB-CG1 4.02Å; A1110-I1112 PolarHBondContact O-N 3.01Å; A1110-I1112 VanDerWaalsContact O-N 3.17Å; I1112-L1114 PolarHBondContact O-N 3.05Å | ||
| 1113 | S | 32.6 | Very low | 32.9 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 48% | 0.476 | 71% | 0.706 | S | S | . | * | trans | -79.4 | 103.9 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | S1111 E1115 K1523 | S1111-S1113 VanDerWaalsContact C-N 3.33Å; S1111-S1113 PolarHBondContact O-N 3.23Å; S1113-E1115 VanDerWaalsContact C-N 3.31Å; S1113-E1115 PolarHBondContact O-N 3.08Å; S1113-K1523 VanDerWaalsContact OG-CE 3.27Å; S1113-K1523 WeakPolarHBondContact OG-CE 3.34Å; S1113-K1523 PolarHBondContact OG-NZ 3.16Å | ||
| 1114 | L | 34 | Very low | 33.1 | Very low | 100.4 Ų | 100.4 | 132.8 Ų | 132.8 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | trans | -80.3 | 59 | 175.1 | -122.8 | 141.3 | 0 | 0 | 0 | 111.4 | I1112 R1116 S1522 W1524 L1526 | I1112-L1114 PolarHBondContact O-N 3.05Å; L1114-R1116 HydrophobicContact CD2-CG 4.08Å; L1114-R1116 PolarHBondContact O-N 2.92Å; L1114-S1522 VanDerWaalsContact O-O 3.13Å; L1114-W1524 HydrophobicContact CB-CB 3.97Å; L1114-W1524 WeakPolarHBondContact CB-O 3.37Å; L1114-W1524 HydrophobicContact CD1-CB 4.17Å; L1114-W1524 PolarHBondContact N-O 3.43Å; L1114-W1524 PolarHBondContact O-N 3.34Å; L1114-L1526 HydrophobicContact CD1-CD1 4.04Å | ||
| 1115 | E | 32.6 | Very low | 33.5 | Very low | 128.4 Ų | 128.4 | 129 Ų | 129 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | trans | -78.2 | 66.3 | 175 | -77.5 | -169.6 | 167.8 | 0 | 0 | 111.9 | S1113 V1117 S1118 K1523 | S1113-E1115 VanDerWaalsContact C-N 3.31Å; S1113-E1115 PolarHBondContact O-N 3.08Å; E1115-V1117 VanDerWaalsContact C-N 3.29Å; E1115-V1117 HydrophobicContact CB-CG2 3.74Å; E1115-V1117 HydrophobicContact CG-CG2 4.2Å; E1115-V1117 PolarHBondContact O-N 3.21Å; E1115-V1117 WeakPolarHBondContact OE2-CG2 3.48Å; E1115-S1118 PolarHBondContact O-OG 3.36Å; E1115-K1523 VanDerWaalsContact CD-CE 3.44Å; E1115-K1523 HydrophobicContact CG-CD 4.24Å; E1115-K1523 HydrophobicContact CG-CG 3.91Å; E1115-K1523 VanDerWaalsContact OE1-CE 3.24Å; E1115-K1523 WeakPolarHBondContact OE1-CE 3.21Å; E1115-K1523 IonicContact OE1-NZ 3.13Å; E1115-K1523 PolarHBondContact OE1-NZ 3.04Å | ||
| 1116 | R | 35.9 | Very low | 34.3 | Very low | 165.2 Ų | 165.2 | 130.2 Ų | 130.2 | 62% | 0.623 | 70% | 0.695 | S | S | * | * | trans | -88.3 | 59 | 168.9 | -81.9 | -173.3 | 179.9 | 163.4 | 4.3 | 111.9 | S1085 L1114 S1118 T1521 S1522 | S1085-R1116 PolarHBondContact OG-NH2 2.82Å; L1114-R1116 HydrophobicContact CD2-CG 4.08Å; L1114-R1116 PolarHBondContact O-N 2.92Å; R1116-S1118 VanDerWaalsContact C-N 3.27Å; R1116-S1118 PolarHBondContact O-N 2.98Å; R1116-T1521 WeakPolarHBondContact O-CA 3.43Å; R1116-S1522 PolarHBondContact N-O 3Å; R1116-S1522 PolarHBondContact O-N 3.47Å | ||
| 1117 | V | 34.8 | Very low | 35.4 | Very low | 102.2 Ų | 102.2 | 126.6 Ų | 126.6 | 62% | 0.619 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 46.5 | 173 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | E1115 K1119 T1521 | E1115-V1117 VanDerWaalsContact C-N 3.29Å; E1115-V1117 HydrophobicContact CB-CG2 3.74Å; E1115-V1117 HydrophobicContact CG-CG2 4.2Å; E1115-V1117 PolarHBondContact O-N 3.21Å; E1115-V1117 WeakPolarHBondContact OE2-CG2 3.48Å; V1117-K1119 VanDerWaalsContact C-N 3.32Å; V1117-K1119 HydrophobicContact CG1-CB 3.73Å; V1117-K1119 HydrophobicContact CG1-CD 4Å; V1117-K1119 HydrophobicContact CG1-CG 3.68Å; V1117-K1119 PolarHBondContact O-N 3.46Å; V1117-K1119 VanDerWaalsContact O-N 3.15Å; V1117-T1521 HydrophobicContact CG2-CG2 3.86Å |
| 1118 | S | 34.4 | Very low | 36.9 | Very low | 81.4 Ų | 81.4 | 119.2 Ų | 119.2 | 57% | 0.569 | 65% | 0.646 | S | S | * | * | trans | -84.4 | 48.8 | 164.5 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | E1115 R1116 N1120 N1520 | E1115-S1118 PolarHBondContact O-OG 3.36Å; R1116-S1118 VanDerWaalsContact C-N 3.27Å; R1116-S1118 PolarHBondContact O-N 2.98Å; S1118-N1120 PolarHBondContact O-N 3.14Å; S1118-N1520 PolarHBondContact OG-O 2.92Å; S1118-N1520 VanDerWaalsContact OG-O 3.06Å | ||
| 1119 | K | 32.7 | Very low | 38.8 | Very low | 168.2 Ų | 168.2 | 116.8 Ų | 116.8 | 73% | 0.731 | 62% | 0.622 | S | S | * | * | trans | -89.2 | 47.2 | 178.4 | -102.5 | 179.9 | -176.7 | -167.6 | 0 | 112.3 | V1117 E1121 | V1117-K1119 VanDerWaalsContact C-N 3.32Å; V1117-K1119 HydrophobicContact CG1-CB 3.73Å; V1117-K1119 HydrophobicContact CG1-CD 4Å; V1117-K1119 HydrophobicContact CG1-CG 3.68Å; V1117-K1119 PolarHBondContact O-N 3.46Å; V1117-K1119 VanDerWaalsContact O-N 3.15Å; K1119-E1121 VanDerWaalsContact C-N 3.33Å; K1119-E1121 WeakPolarHBondContact CE-OE1 3.46Å; K1119-E1121 HydrophobicContact CG-CG 4.02Å; K1119-E1121 IonicContact NZ-OE1 2.7Å; K1119-E1121 PolarHBondContact NZ-OE1 3.15Å; K1119-E1121 IonicContact NZ-OE2 2.76Å; K1119-E1121 PolarHBondContact NZ-OE2 3.29Å; K1119-E1121 PolarHBondContact O-N 2.82Å | ||
| 1120 | N | 33.5 | Very low | 41.2 | Very low | 144.8 Ų | 144.8 | 110.9 Ų | 110.9 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | trans | -103.4 | 86.1 | 162.9 | -81.2 | 3.5 | 0 | 0 | 0 | 109.3 | S1118 H1122 | S1118-N1120 PolarHBondContact O-N 3.14Å; N1120-H1122 PolarHBondContact O-N 3.05Å | ||
| 1121 | E | 32.1 | Very low | 43.8 | Very low | 150 Ų | 150 | 111.3 Ų | 111.3 | 70% | 0.701 | 58% | 0.577 | S | S | * | * | trans | -71 | 121.8 | 177.9 | -68 | 173.9 | 160.5 | 0 | 0 | 111.1 | K1119 V1123 | K1119-E1121 VanDerWaalsContact C-N 3.33Å; K1119-E1121 WeakPolarHBondContact CE-OE1 3.46Å; K1119-E1121 HydrophobicContact CG-CG 4.02Å; K1119-E1121 IonicContact NZ-OE1 2.7Å; K1119-E1121 PolarHBondContact NZ-OE1 3.15Å; K1119-E1121 IonicContact NZ-OE2 2.76Å; K1119-E1121 PolarHBondContact NZ-OE2 3.29Å; K1119-E1121 PolarHBondContact O-N 2.82Å; E1121-V1123 VanDerWaalsContact C-N 3.32Å; E1121-V1123 PolarHBondContact O-N 2.98Å | ||
| 1122 | H | 33.8 | Very low | 46.3 | Very low | 186.2 Ų | 186.2 | 110.4 Ų | 110.4 | 86% | 0.862 | 57% | 0.565 | S | S | * | * | trans | -23.5 | 74.6 | 173.9 | -70 | -12.9 | 0 | 0 | 0 | 114.7 | N1120 | N1120-H1122 PolarHBondContact O-N 3.05Š| ||
| 1123 | V | 36.9 | Very low | 49 | Very low | 113.2 Ų | 113.2 | 109.2 Ų | 109.2 | 69% | 0.686 | 56% | 0.557 | S | S | * | * | trans | -112.7 | 122.2 | 161.7 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | E1121 T1125 | E1121-V1123 VanDerWaalsContact C-N 3.32Å; E1121-V1123 PolarHBondContact O-N 2.98Å; V1123-T1125 HydrophobicContact CG1-CG2 4.48Å; V1123-T1125 WeakPolarHBondContact CG1-OG1 3.49Å; V1123-T1125 WeakPolarHBondContact O-CG2 3.4Å; V1123-T1125 PolarHBondContact O-N 3Å | ||
| 1124 | D | 39.2 | Very low | 51.7 | Low | 139.6 Ų | 139.6 | 110 Ų | 110 | 75% | 0.747 | 55% | 0.552 | S | S | * | * | trans | -76.1 | 94.6 | -171.8 | -63.5 | -58.9 | 0 | 0 | 0 | 113.9 | E1126 | D1124-E1126 VanDerWaalsContact C-N 3.32Å; D1124-E1126 PolarHBondContact O-N 3.35Å | ||
| 1125 | T | 43.5 | Very low | 54.3 | Low | 107.4 Ų | 107.4 | 107 Ų | 107 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | trans | -85.5 | 21 | -175.1 | 44.5 | 0 | 0 | 0 | 0 | 113.9 | V1123 E1127 | V1123-T1125 HydrophobicContact CG1-CG2 4.48Å; V1123-T1125 WeakPolarHBondContact CG1-OG1 3.49Å; V1123-T1125 WeakPolarHBondContact O-CG2 3.4Å; V1123-T1125 PolarHBondContact O-N 3Å; T1125-E1127 VanDerWaalsContact C-N 3.29Å; T1125-E1127 PolarHBondContact O-N 3.16Å | ||
| 1126 | E | 48.4 | Very low | 57.1 | Low | 158.2 Ų | 158.2 | 102.6 Ų | 102.6 | 74% | 0.739 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 4.7 | -177.2 | -63.8 | -164.5 | 157.5 | 0 | 0 | 113.5 | R1073 D1124 F1128 R1538 | R1073-E1126 PolarHBondContact NH1-O 3.46Å; R1073-E1126 PolarHBondContact NH2-O 2.82Å; D1124-E1126 VanDerWaalsContact C-N 3.32Å; D1124-E1126 PolarHBondContact O-N 3.35Å; E1126-F1128 VanDerWaalsContact C-N 3.28Å; E1126-F1128 HydrophobicContact CB-CD2 4.47Å; E1126-F1128 HydrophobicContact CB-CE2 3.83Å; E1126-F1128 HydrophobicContact CB-CZ 3.87Å; E1126-F1128 WeakPolarHBondContact O-CD2 3.47Å; E1126-F1128 WeakPolarHBondContact O-CE2 3.37Å; E1126-F1128 PolarHBondContact O-N 2.78Å; E1126-F1128 WeakPolarHBondContact OE2-CZ 3.34Å; E1126-R1538 IonicContact OE1-CZ 2.74Å; E1126-R1538 VanDerWaalsContact OE1-CZ 3.3Å; E1126-R1538 IonicContact OE1-NH1 3.93Å; E1126-R1538 PolarHBondContact OE1-NH1 3.45Å; E1126-R1538 IonicContact OE1-NH2 3.74Å; E1126-R1538 PolarHBondContact OE1-NH2 2.84Å; E1126-R1538 IonicContact OE2-CZ 2.81Å; E1126-R1538 IonicContact OE2-NH1 2.71Å; E1126-R1538 PolarHBondContact OE2-NH1 3.31Å |
| 1127 | E | 57.5 | Low | 59.6 | Low | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | trans | -85.8 | 1.9 | -170.8 | -68.4 | -144.9 | 136.4 | 0 | 0 | 115.3 | R1073 T1125 G1129 | R1073-E1127 WeakPolarHBondContact CD-O 3.34Å; R1073-E1127 IonicContact CZ-OE1 2.73Å; R1073-E1127 VanDerWaalsContact CZ-OE1 3.32Å; R1073-E1127 IonicContact CZ-OE2 2.78Å; R1073-E1127 PolarHBondContact NH1-O 3.08Å; R1073-E1127 IonicContact NH1-OE1 2.75Å; R1073-E1127 PolarHBondContact NH1-OE1 2.97Å; R1073-E1127 VanDerWaalsContact NH1-OE1 3.15Å; R1073-E1127 IonicContact NH1-OE2 3.4Å; R1073-E1127 PolarHBondContact NH1-OE2 3.17Å; R1073-E1127 IonicContact NH2-OE1 3.02Å; R1073-E1127 PolarHBondContact NH2-OE1 3.32Å; R1073-E1127 IonicContact NH2-OE2 3.55Å; T1125-E1127 VanDerWaalsContact C-N 3.29Å; T1125-E1127 PolarHBondContact O-N 3.16Å; E1127-G1129 PolarHBondContact O-N 2.86Å | ||
| 1128 | F | 59.7 | Low | 62.1 | Low | 47.8 Ų | 47.8 | 93.8 Ų | 93.8 | 21% | 0.21 | 49% | 0.486 | C | S | . | . | trans | -94 | 128.4 | -178.1 | -60.5 | -74 | 0 | 0 | 0 | 112.2 | Y1002 R1073 S1074 P1075 E1126 T1130 Q1131 Q1467 N1470 W1518 | Y1002-F1128 AromaticContact CD1-CE1 3.62Å; Y1002-F1128 HydrophobicContact CD1-CE1 4.03Å; Y1002-F1128 HydrophobicContact CD1-CZ 4.22Å; Y1002-F1128 HydrophobicContact CD2-CE1 4.38Å; Y1002-F1128 HydrophobicContact CE1-CE1 4.27Å; Y1002-F1128 HydrophobicContact CG-CD1 4.4Å; Y1002-F1128 AromaticContact CG-CE1 3.69Å; Y1002-F1128 HydrophobicContact CG-CE1 4.12Å; R1073-F1128 HydrophobicContact CB-CD1 4.39Å; S1074-F1128 VanDerWaalsContact O-CD1 3.3Å; S1074-F1128 WeakPolarHBondContact O-CD1 3.36Å; P1075-F1128 HydrophobicContact CB-CD1 4.09Å; P1075-F1128 HydrophobicContact CB-CE1 4.3Å; P1075-F1128 HydrophobicContact CB-CG 4.24Å; E1126-F1128 VanDerWaalsContact C-N 3.28Å; E1126-F1128 HydrophobicContact CB-CD2 4.47Å; E1126-F1128 HydrophobicContact CB-CE2 3.83Å; E1126-F1128 HydrophobicContact CB-CZ 3.87Å; E1126-F1128 WeakPolarHBondContact O-CD2 3.47Å; E1126-F1128 WeakPolarHBondContact O-CE2 3.37Å; E1126-F1128 PolarHBondContact O-N 2.78Å; E1126-F1128 WeakPolarHBondContact OE2-CZ 3.34Å; F1128-T1130 VanDerWaalsContact C-N 3.29Å; F1128-T1130 PolarHBondContact O-N 3.22Å; F1128-Q1131 HydrophobicContact CB-CG 4.06Å; F1128-Q1467 WeakPolarHBondContact CA-O 3.49Å; F1128-N1470 HydrophobicContact CB-CB 4.04Å; F1128-N1470 HydrophobicContact CD1-CB 3.97Å; F1128-N1470 HydrophobicContact CD2-CB 3.77Å; F1128-N1470 WeakPolarHBondContact CD2-ND2 3.29Å; F1128-N1470 HydrophobicContact CE1-CB 4.23Å; F1128-N1470 HydrophobicContact CE2-CB 4.21Å; F1128-N1470 WeakPolarHBondContact CE2-ND2 3.32Å; F1128-N1470 HydrophobicContact CG-CB 3.65Å; F1128-N1470 HydrophobicContact CZ-CB 4.34Å; F1128-W1518 HydrophobicContact CE1-CE3 4.23Å; F1128-W1518 HydrophobicContact CE1-CZ3 4.25Å; F1128-W1518 HydrophobicContact CZ-CZ3 4.31Å | ||
| 1129 | G | 70 | Confident | 64.7 | Low | 13 Ų | 13 | 92.2 Ų | 92.2 | 13% | 0.134 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -156.3 | -148.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1072 R1073 E1127 Q1467 G1468 | H1072-G1129 CarbonylContact C-O 3.53Å; H1072-G1129 WeakPolarHBondContact CA-O 3.47Å; R1073-G1129 WeakPolarHBondContact CB-O 3.47Å; R1073-G1129 PolarHBondContact N-O 3.11Å; R1073-G1129 VanDerWaalsContact N-O 3.14Å; R1073-G1129 PolarHBondContact O-N 3.31Å; E1127-G1129 PolarHBondContact O-N 2.86Å; G1129-Q1467 PolarHBondContact N-O 3.14Å; G1129-G1468 CarbonylContact C-O 3.56Å; G1129-G1468 WeakPolarHBondContact CA-O 3.4Å; G1129-G1468 PolarHBondContact N-O 2.85Å; G1129-G1468 VanDerWaalsContact N-O 3.15Å |
| 1130 | T | 79 | Confident | 67.4 | Low | 33.6 Ų | 33.6 | 86.7 Ų | 86.7 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.5 | 172.2 | -47.5 | 0 | 0 | 0 | 0 | 110 | V1070 S1071 H1072 F1128 L1132 G1468 V1469 N1470 | V1070-T1130 HydrophobicContact CG1-CG2 3.92Å; S1071-T1130 CarbonylContact O-C 3.42Å; S1071-T1130 WeakPolarHBondContact O-CA 3.24Å; H1072-T1130 HydrophobicContact CB-CG2 4.33Å; H1072-T1130 PolarHBondContact ND1-OG1 3.1Å; F1128-T1130 VanDerWaalsContact C-N 3.29Å; F1128-T1130 PolarHBondContact O-N 3.22Å; T1130-L1132 HydrophobicContact CG2-CD2 4.29Å; T1130-L1132 HydrophobicContact CG2-CG 4.37Å; T1130-G1468 PolarHBondContact N-O 3.16Å; T1130-G1468 VanDerWaalsContact N-O 3.08Å; T1130-V1469 HydrophobicContact CG2-CG1 4.44Å; T1130-V1469 CarbonylContact O-C 3.48Å; T1130-V1469 WeakPolarHBondContact O-CA 3.29Å; T1130-N1470 PolarHBondContact O-N 3.32Å |
| 1131 | Q | 84.1 | Confident | 70.1 | Confident | 101.6 Ų | 101.6 | 82.5 Ų | 82.5 | 48% | 0.475 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.2 | 172.6 | -64.2 | -179.8 | -9.4 | 0 | 0 | 109.2 | S1071 F1128 N1470 | S1071-Q1131 PolarHBondContact N-O 2.88Å; S1071-Q1131 PolarHBondContact O-N 3.12Å; F1128-Q1131 HydrophobicContact CB-CG 4.06Å; Q1131-N1470 CarbonylContact C-O 3.53Å; Q1131-N1470 WeakPolarHBondContact CA-O 3.45Å |
| 1132 | L | 86.2 | Confident | 72.7 | Confident | 63.4 Ų | 63.4 | 76 Ų | 76 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.2 | 172 | -61 | 170.5 | 0 | 0 | 0 | 108 | T1069 V1070 T1130 F1134 N1470 A1471 A1472 | T1069-L1132 WeakPolarHBondContact O-CA 3.46Å; V1070-L1132 HydrophobicContact CB-CD2 4.07Å; V1070-L1132 HydrophobicContact CG1-CD2 3.76Å; V1070-L1132 HydrophobicContact CG2-CD2 3.67Å; T1130-L1132 HydrophobicContact CG2-CD2 4.29Å; T1130-L1132 HydrophobicContact CG2-CG 4.37Å; L1132-F1134 HydrophobicContact CB-CD2 4.43Å; L1132-F1134 HydrophobicContact CB-CE2 3.9Å; L1132-F1134 HydrophobicContact CB-CZ 4.32Å; L1132-F1134 HydrophobicContact CD1-CE2 4.42Å; L1132-N1470 PolarHBondContact N-O 3.44Å; L1132-A1471 HydrophobicContact CB-CB 4.04Å; L1132-A1471 HydrophobicContact CD1-CB 4.27Å; L1132-A1471 CarbonylContact O-C 3.57Å; L1132-A1471 VanDerWaalsContact O-CA 3.3Å; L1132-A1471 WeakPolarHBondContact O-CA 3.34Å; L1132-A1472 PolarHBondContact O-N 3.12Å |
| 1133 | Q | 88 | Confident | 75.1 | Confident | 107.2 Ų | 107.2 | 68.7 Ų | 68.7 | 50% | 0.501 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.4 | 172.4 | 179.6 | -179 | -3.5 | 0 | 0 | 108.9 | L1068 T1069 A1472 | L1068-Q1133 WeakPolarHBondContact CA-O 3.38Å; T1069-Q1133 PolarHBondContact N-O 3.11Å; T1069-Q1133 PolarHBondContact O-N 3.15Å; T1069-Q1133 WeakPolarHBondContact OG1-CB 3.42Å; T1069-Q1133 PolarHBondContact OG1-O 2.95Å; Q1133-A1472 CarbonylContact C-O 3.53Å; Q1133-A1472 WeakPolarHBondContact CA-O 3.39Å; Q1133-A1472 HydrophobicContact CG-CB 4.5Å |
| 1134 | F | 90 | Very high | 77.1 | Confident | 83.4 Ų | 83.4 | 63.4 Ų | 63.4 | 37% | 0.366 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.4 | 175.4 | -101.4 | -91.6 | 0 | 0 | 0 | 108.3 | L1066 N1067 L1068 L1132 I1136 A1472 L1473 T1474 | L1066-F1134 HydrophobicContact CD1-CE1 4.48Å; L1066-F1134 HydrophobicContact CD1-CE2 4.28Å; L1066-F1134 HydrophobicContact CD1-CZ 3.76Å; L1066-F1134 HydrophobicContact CD2-CD2 4.41Å; L1066-F1134 HydrophobicContact CD2-CE2 3.73Å; L1066-F1134 HydrophobicContact CD2-CZ 3.94Å; L1066-F1134 HydrophobicContact CG-CE1 4.35Å; L1066-F1134 HydrophobicContact CG-CE2 4.12Å; L1066-F1134 HydrophobicContact CG-CZ 3.79Å; N1067-F1134 CarbonylContact O-C 3.47Å; N1067-F1134 WeakPolarHBondContact O-CA 3.47Å; L1068-F1134 HydrophobicContact CB-CD1 4.24Å; L1068-F1134 HydrophobicContact CB-CD2 4.06Å; L1068-F1134 HydrophobicContact CB-CE1 4.3Å; L1068-F1134 HydrophobicContact CD1-CB 4.45Å; L1068-F1134 HydrophobicContact CD1-CD1 3.71Å; L1068-F1134 HydrophobicContact CD1-CD2 4.12Å; L1068-F1134 HydrophobicContact CD1-CE1 3.37Å; L1068-F1134 HydrophobicContact CD1-CE2 3.8Å; L1068-F1134 HydrophobicContact CD1-CG 4.06Å; L1068-F1134 HydrophobicContact CD1-CZ 3.7Å; L1068-F1134 HydrophobicContact CD2-CE1 3.83Å; L1068-F1134 HydrophobicContact CD2-CZ 4.21Å; L1068-F1134 HydrophobicContact CG-CD1 4.24Å; L1068-F1134 HydrophobicContact CG-CE1 3.97Å; L1068-F1134 HydrophobicContact CG-CZ 4.41Å; L1132-F1134 HydrophobicContact CB-CD2 4.43Å; L1132-F1134 HydrophobicContact CB-CE2 3.9Å; L1132-F1134 HydrophobicContact CB-CZ 4.32Å; L1132-F1134 HydrophobicContact CD1-CE2 4.42Å; F1134-I1136 HydrophobicContact CD1-CG1 4.34Å; F1134-I1136 HydrophobicContact CE1-CD1 3.77Å; F1134-I1136 HydrophobicContact CE1-CG1 3.68Å; F1134-I1136 HydrophobicContact CZ-CG1 4.49Å; F1134-A1472 PolarHBondContact N-O 2.78Å; F1134-L1473 HydrophobicContact CB-CD1 3.75Å; F1134-L1473 HydrophobicContact CD1-CD1 3.55Å; F1134-L1473 HydrophobicContact CE1-CD1 4.13Å; F1134-L1473 HydrophobicContact CG-CD1 4.44Å; F1134-L1473 CarbonylContact O-C 3.55Å; F1134-L1473 WeakPolarHBondContact O-CA 3.4Å; F1134-T1474 PolarHBondContact O-N 3.04Å; F1134-T1474 PolarHBondContact O-OG1 3.05Å; F1134-T1474 VanDerWaalsContact O-OG1 3.09Å |
| 1135 | S | 88.8 | Confident | 78.6 | Confident | 37.6 Ų | 37.6 | 58.5 Ų | 58.5 | 26% | 0.263 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130 | 176.3 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | L1066 N1067 T1474 | L1066-S1135 CarbonylContact C-O 3.51Å; L1066-S1135 VanDerWaalsContact CA-O 3.28Å; L1066-S1135 WeakPolarHBondContact CA-O 3.24Å; N1067-S1135 WeakPolarHBondContact CB-OG 3.41Å; N1067-S1135 PolarHBondContact N-O 3.2Å; N1067-S1135 PolarHBondContact O-N 3.28Å; N1067-S1135 PolarHBondContact O-OG 2.95Å; N1067-S1135 VanDerWaalsContact O-OG 3.1Å; S1135-T1474 CarbonylContact C-O 3.52Å; S1135-T1474 VanDerWaalsContact CA-O 3.28Å; S1135-T1474 WeakPolarHBondContact CA-O 3.38Å; S1135-T1474 WeakPolarHBondContact CA-OG1 3.41Å; S1135-T1474 VanDerWaalsContact CB-OG1 3.26Å; S1135-T1474 WeakPolarHBondContact CB-OG1 3.36Å |
| 1136 | I | 89.6 | Confident | 79.5 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.8 | 175 | -60 | 174.6 | 0 | 0 | 0 | 107 | I1063 L1066 F1134 L1139 L1473 T1474 V1475 Q1476 | I1063-I1136 HydrophobicContact CG2-CD1 4.49Å; I1063-I1136 HydrophobicContact CG2-CG1 4.26Å; I1063-I1136 HydrophobicContact CG2-CG2 3.79Å; L1066-I1136 HydrophobicContact CD1-CD1 4.21Å; L1066-I1136 HydrophobicContact CD1-CG1 3.94Å; L1066-I1136 HydrophobicContact CD2-CD1 3.97Å; L1066-I1136 HydrophobicContact CD2-CG1 3.63Å; L1066-I1136 HydrophobicContact CG-CG1 4.38Å; F1134-I1136 HydrophobicContact CD1-CG1 4.34Å; F1134-I1136 HydrophobicContact CE1-CD1 3.77Å; F1134-I1136 HydrophobicContact CE1-CG1 3.68Å; F1134-I1136 HydrophobicContact CZ-CG1 4.49Å; I1136-L1139 HydrophobicContact CD1-CD1 4.21Å; I1136-L1139 HydrophobicContact CG2-CB 4.4Å; I1136-L1473 HydrophobicContact CD1-CD1 4.29Å; I1136-T1474 PolarHBondContact N-O 3.17Å; I1136-V1475 HydrophobicContact CB-CG1 4.1Å; I1136-V1475 HydrophobicContact CB-CG2 4.31Å; I1136-V1475 HydrophobicContact CD1-CG2 4.28Å; I1136-V1475 HydrophobicContact CG2-CG1 4.19Å; I1136-V1475 WeakPolarHBondContact O-CA 3.4Å; I1136-Q1476 PolarHBondContact O-N 3.03Å; I1136-Q1476 VanDerWaalsContact O-N 3.11Å |
| 1137 | S | 88.7 | Confident | 80.2 | Confident | 30.6 Ų | 30.6 | 49.4 Ų | 49.4 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -64 | 174.3 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | N1064 S1065 Q1476 S1477 | N1064-S1137 VanDerWaalsContact C-OG 3.26Å; N1064-S1137 WeakPolarHBondContact CB-OG 3.32Å; N1064-S1137 PolarHBondContact O-N 3.09Å; N1064-S1137 PolarHBondContact O-OG 3.15Å; S1065-S1137 WeakPolarHBondContact CB-OG 3.22Å; S1065-S1137 PolarHBondContact O-N 2.97Å; S1065-S1137 VanDerWaalsContact O-N 3.13Å; S1065-S1137 PolarHBondContact OG-OG 3.24Å; S1137-Q1476 CarbonylContact O-C 3.57Å; S1137-Q1476 WeakPolarHBondContact O-CA 3.35Å; S1137-Q1476 WeakPolarHBondContact O-CB 3.4Å; S1137-Q1476 PolarHBondContact O-N 3.14Å; S1137-Q1476 VanDerWaalsContact O-N 3.11Å; S1137-S1477 PolarHBondContact O-N 3.23Å; S1137-S1477 VanDerWaalsContact O-N 3.11Å |
| 1138 | T | 88.6 | Confident | 80.2 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 131.6 | -176.1 | 62.5 | 0 | 0 | 0 | 0 | 110.3 | I1063 N1064 S1477 | I1063-T1138 WeakPolarHBondContact CA-O 3.37Å; N1064-T1138 WeakPolarHBondContact CB-OG1 3.44Å; N1064-T1138 PolarHBondContact N-O 2.99Å; N1064-T1138 PolarHBondContact ND2-OG1 2.82Å; T1138-S1477 WeakPolarHBondContact CA-O 3.38Å; T1138-S1477 WeakPolarHBondContact CG2-OG 3.37Å |
| 1139 | L | 89.2 | Confident | 79.9 | Confident | 48.8 Ų | 48.8 | 49 Ų | 49 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.3 | 171.2 | -177.4 | 118.2 | 0 | 0 | 0 | 109.1 | V1062 I1063 I1136 L1141 S1477 I1478 S1479 | V1062-L1139 WeakPolarHBondContact O-CA 3.4Å; I1063-L1139 HydrophobicContact CD1-CD1 4.12Å; I1063-L1139 HydrophobicContact CG1-CD1 3.86Å; I1063-L1139 HydrophobicContact CG1-CG 4.18Å; I1136-L1139 HydrophobicContact CD1-CD1 4.21Å; I1136-L1139 HydrophobicContact CG2-CB 4.4Å; L1139-L1141 HydrophobicContact CD2-CB 4.21Å; L1139-L1141 HydrophobicContact CD2-CD1 4.1Å; L1139-L1141 HydrophobicContact CD2-CD2 4.45Å; L1139-L1141 HydrophobicContact CD2-CG 3.71Å; L1139-S1477 PolarHBondContact N-O 2.97Å; L1139-I1478 HydrophobicContact CB-CG1 4.28Å; L1139-I1478 HydrophobicContact CD2-CG1 4.39Å; L1139-I1478 HydrophobicContact CD2-CG2 3.91Å; L1139-I1478 CarbonylContact O-C 3.56Å; L1139-I1478 WeakPolarHBondContact O-CA 3.35Å; L1139-S1479 PolarHBondContact O-N 3.17Å; L1139-S1479 PolarHBondContact O-OG 2.9Å |
| 1140 | L | 89.4 | Confident | 78.9 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129 | 172.4 | 179.8 | 77.5 | 0 | 0 | 0 | 108.6 | G1061 V1062 S1479 L1481 | G1061-L1140 CarbonylContact C-O 3.54Å; G1061-L1140 WeakPolarHBondContact CA-O 3.39Å; V1062-L1140 HydrophobicContact CB-CB 4.48Å; V1062-L1140 PolarHBondContact N-O 3.11Å; V1062-L1140 PolarHBondContact O-N 3.2Å; L1140-S1479 WeakPolarHBondContact CA-O 3.37Å; L1140-S1479 VanDerWaalsContact CD1-OG 3.3Å; L1140-S1479 WeakPolarHBondContact CD1-OG 3.38Å; L1140-L1481 HydrophobicContact CD1-CD1 3.8Å; L1140-L1481 HydrophobicContact CD1-CG 4.04Å |
| 1141 | L | 89.3 | Confident | 77.3 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.3 | 176.7 | -153.3 | 147 | 0 | 0 | 0 | 108.8 | F1016 E1060 L1139 C1143 S1479 L1480 L1481 | F1016-L1141 HydrophobicContact CE1-CD2 3.62Å; F1016-L1141 HydrophobicContact CE2-CD1 3.57Å; F1016-L1141 HydrophobicContact CE2-CG 4.44Å; F1016-L1141 HydrophobicContact CZ-CD1 3.77Å; F1016-L1141 HydrophobicContact CZ-CD2 3.35Å; F1016-L1141 HydrophobicContact CZ-CG 4.01Å; E1060-L1141 WeakPolarHBondContact O-CA 3.23Å; L1139-L1141 HydrophobicContact CD2-CB 4.21Å; L1139-L1141 HydrophobicContact CD2-CD1 4.1Å; L1139-L1141 HydrophobicContact CD2-CD2 4.45Å; L1139-L1141 HydrophobicContact CD2-CG 3.71Å; L1141-C1143 WeakPolarHBondContact CD2-SG 3.36Å; L1141-S1479 PolarHBondContact N-O 2.81Å; L1141-L1480 HydrophobicContact CB-CD2 3.77Å; L1141-L1480 HydrophobicContact CD1-CD2 4.15Å; L1141-L1480 HydrophobicContact CG-CD2 4.26Å; L1141-L1480 CarbonylContact O-C 3.55Å; L1141-L1480 WeakPolarHBondContact O-CA 3.42Å; L1141-L1481 PolarHBondContact O-N 3.1Å |
| 1142 | N | 87.1 | Confident | 75.5 | Confident | 12.6 Ų | 12.6 | 58.7 Ų | 58.7 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 114.4 | 179.9 | -165.8 | 13.5 | 0 | 0 | 0 | 109.3 | I1031 A1059 E1060 L1481 T1483 | I1031-N1142 HydrophobicContact CD1-CB 4.3Å; A1059-N1142 CarbonylContact C-O 3.51Å; A1059-N1142 VanDerWaalsContact CA-O 3.31Å; A1059-N1142 WeakPolarHBondContact CA-O 3.37Å; E1060-N1142 HydrophobicContact CG-CB 3.83Å; E1060-N1142 PolarHBondContact N-O 3.06Å; E1060-N1142 PolarHBondContact O-N 3.09Å; E1060-N1142 PolarHBondContact OE1-ND2 3.08Å; N1142-L1481 WeakPolarHBondContact CA-O 3.33Å; N1142-L1481 HydrophobicContact CB-CB 4.25Å; N1142-T1483 WeakPolarHBondContact OD1-CG2 3.27Å; N1142-T1483 PolarHBondContact OD1-OG1 2.8Å; N1142-T1483 VanDerWaalsContact OD1-OG1 3.06Å |
| 1143 | C | 84.2 | Confident | 73.6 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 22% | 0.223 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.8 | 176.7 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | V1058 L1141 L1481 V1482 T1483 L1557 | V1058-C1143 WeakPolarHBondContact O-CA 3.09Å; L1141-C1143 WeakPolarHBondContact CD2-SG 3.36Å; C1143-L1481 PolarHBondContact N-O 3.26Å; C1143-V1482 CarbonylContact O-C 3.53Å; C1143-V1482 VanDerWaalsContact O-CA 3.27Å; C1143-V1482 WeakPolarHBondContact O-CA 3.36Å; C1143-T1483 PolarHBondContact O-N 3.1Å; C1143-T1483 PolarHBondContact O-OG1 2.9Å; C1143-L1557 HydrophobicContact CB-CD1 4.38Å; C1143-L1557 HydrophobicContact CB-CD2 3.75Å |
| 1144 | S | 78.8 | Confident | 71.8 | Confident | 3.6 Ų | 3.6 | 62 Ų | 62 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 139.3 | 172.4 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | V1057 V1058 L1146 L1158 T1483 | V1057-S1144 VanDerWaalsContact O-CB 3.32Å; V1057-S1144 WeakPolarHBondContact O-CB 3.2Å; V1057-S1144 PolarHBondContact O-OG 3.08Å; V1058-S1144 WeakPolarHBondContact CA-OG 3.36Å; V1058-S1144 WeakPolarHBondContact O-CB 3.16Å; V1058-S1144 PolarHBondContact O-N 3.06Å; V1058-S1144 PolarHBondContact O-OG 3.17Å; S1144-L1146 VanDerWaalsContact C-N 3.3Å; S1144-L1146 PolarHBondContact O-N 3.16Å; S1144-L1146 VanDerWaalsContact OG-CD1 3.29Å; S1144-L1146 WeakPolarHBondContact OG-CD1 3.45Å; S1144-L1146 VanDerWaalsContact OG-CG 3.31Å; S1144-L1146 WeakPolarHBondContact OG-CG 3.4Å; S1144-L1158 WeakPolarHBondContact O-CD1 3.26Å; S1144-T1483 VanDerWaalsContact CA-OG1 3.29Å; S1144-T1483 WeakPolarHBondContact CA-OG1 3.32Å; S1144-T1483 WeakPolarHBondContact CB-OG1 3.36Å |
| 1145 | L | 70 | Confident | 70.1 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | trans | -75.5 | -4.6 | 177.6 | -143.9 | 86.4 | 0 | 0 | 0 | 112.1 | Q1147 V1482 T1483 E1484 P1553 V1556 L1557 | L1145-Q1147 VanDerWaalsContact C-N 3.35Å; L1145-Q1147 PolarHBondContact O-N 3.11Å; L1145-V1482 HydrophobicContact CB-CG1 4.41Å; L1145-V1482 HydrophobicContact CD1-CG1 4.21Å; L1145-T1483 PolarHBondContact N-O 2.97Å; L1145-E1484 HydrophobicContact CD2-CG 4.38Å; L1145-P1553 HydrophobicContact CD1-CB 4.14Å; L1145-P1553 VanDerWaalsContact CD1-O 3.32Å; L1145-P1553 WeakPolarHBondContact CD1-O 3.41Å; L1145-P1553 HydrophobicContact CD2-CB 4.02Å; L1145-P1553 HydrophobicContact CD2-CG 4.44Å; L1145-V1556 HydrophobicContact CD1-CB 4.22Å; L1145-V1556 HydrophobicContact CD1-CG1 4.05Å; L1145-V1556 HydrophobicContact CG-CG1 4.44Å; L1145-L1557 HydrophobicContact CD1-CB 4.23Å | ||
| 1146 | L | 64 | Low | 69 | Low | 5.6 Ų | 5.6 | 64.3 Ų | 64.3 | 3% | 0.029 | 34% | 0.34 | C | S | . | . | trans | 35.1 | 63.7 | -178.7 | -77.3 | 146.7 | 0 | 0 | 0 | 114.1 | V1028 V1029 V1058 S1144 P1157 L1158 I1161 | V1028-L1146 HydrophobicContact CG1-CB 4.28Å; V1028-L1146 HydrophobicContact CG1-CD2 3.56Å; V1028-L1146 VanDerWaalsContact CG1-CD2 3.48Å; V1029-L1146 WeakPolarHBondContact O-CA 3.11Å; V1029-L1146 VanDerWaalsContact O-CD2 3.31Å; V1029-L1146 WeakPolarHBondContact O-CD2 3.12Å; V1058-L1146 HydrophobicContact CB-CD1 4.23Å; V1058-L1146 HydrophobicContact CG1-CD1 3.84Å; V1058-L1146 HydrophobicContact CG2-CD1 4.07Å; S1144-L1146 VanDerWaalsContact C-N 3.3Å; S1144-L1146 PolarHBondContact O-N 3.16Å; S1144-L1146 VanDerWaalsContact OG-CD1 3.29Å; S1144-L1146 WeakPolarHBondContact OG-CD1 3.45Å; S1144-L1146 VanDerWaalsContact OG-CG 3.31Å; S1144-L1146 WeakPolarHBondContact OG-CG 3.4Å; L1146-P1157 VanDerWaalsContact C-CG 3.49Å; L1146-P1157 HydrophobicContact CB-CB 4.19Å; L1146-P1157 HydrophobicContact CB-CG 4.09Å; L1146-P1157 WeakPolarHBondContact O-CG 3.3Å; L1146-L1158 HydrophobicContact CD1-CD1 4.03Å; L1146-I1161 HydrophobicContact CD1-CD1 3.86Å; L1146-I1161 HydrophobicContact CD2-CD1 4.39Å | ||
| 1147 | Q | 62.9 | Low | 67.9 | Low | 68.8 Ų | 68.8 | 63.7 Ų | 63.7 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | trans | -112 | 135 | -175.8 | -160.2 | 169.1 | -1.7 | 0 | 0 | 112.1 | V1029 L1145 L1149 L1151 P1485 | V1029-Q1147 PolarHBondContact N-O 3.12Å; V1029-Q1147 VanDerWaalsContact N-O 3.12Å; V1029-Q1147 PolarHBondContact O-N 3.01Å; V1029-Q1147 VanDerWaalsContact O-N 3.16Å; L1145-Q1147 VanDerWaalsContact C-N 3.35Å; L1145-Q1147 PolarHBondContact O-N 3.11Å; Q1147-L1149 VanDerWaalsContact O-CD1 3.24Å; Q1147-L1149 WeakPolarHBondContact O-CD1 3.18Å; Q1147-L1149 PolarHBondContact O-N 3.23Å; Q1147-L1151 PolarHBondContact NE2-O 3.4Å; Q1147-P1485 HydrophobicContact CB-CG 3.95Å | ||
| 1148 | Q | 57.1 | Low | 67.2 | Low | 68.2 Ų | 68.2 | 62.9 Ų | 62.9 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | trans | -77.3 | 125.5 | 163.3 | -99.6 | -176.8 | -23 | 0 | 0 | 108.5 | A1027 V1028 E1150 L1151 | A1027-Q1148 VanDerWaalsContact CB-CD 3.42Å; A1027-Q1148 HydrophobicContact CB-CG 4.25Å; A1027-Q1148 VanDerWaalsContact CB-NE2 3.34Å; A1027-Q1148 WeakPolarHBondContact O-CA 3.39Å; V1028-Q1148 HydrophobicContact CG2-CG 4.06Å; Q1148-E1150 VanDerWaalsContact C-N 3.3Å; Q1148-E1150 PolarHBondContact O-N 3.05Å; Q1148-E1150 VanDerWaalsContact O-N 3.17Å; Q1148-L1151 HydrophobicContact CB-CD1 4.18Å; Q1148-L1151 PolarHBondContact O-N 3.34Å | ||
| 1149 | L | 53.3 | Low | 66.6 | Low | 86.6 Ų | 86.6 | 63.2 Ų | 63.2 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -15.3 | -171.8 | -82.6 | 82.4 | 0 | 0 | 0 | 114.2 | V1029 Q1147 E1487 V1498 | V1029-L1149 HydrophobicContact CB-CD1 3.95Å; V1029-L1149 HydrophobicContact CG2-CD1 3.72Å; V1029-L1149 VanDerWaalsContact CG2-CD1 3.42Å; Q1147-L1149 VanDerWaalsContact O-CD1 3.24Å; Q1147-L1149 WeakPolarHBondContact O-CD1 3.18Å; Q1147-L1149 PolarHBondContact O-N 3.23Å; L1149-E1487 HydrophobicContact CD2-CB 3.9Å; L1149-E1487 HydrophobicContact CD2-CG 3.8Å; L1149-V1498 HydrophobicContact CD1-CG2 4.31Å; L1149-V1498 HydrophobicContact CD2-CG1 4.35Å; L1149-V1498 HydrophobicContact CD2-CG2 3.83Å |
| 1150 | E | 48.3 | Very low | 65.8 | Low | 152 Ų | 152 | 62.5 Ų | 62.5 | 71% | 0.71 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -2.3 | -170.6 | -60 | -167.9 | 153.5 | 0 | 0 | 115.2 | Q1148 K1496 | Q1148-E1150 VanDerWaalsContact C-N 3.3Å; Q1148-E1150 PolarHBondContact O-N 3.05Å; Q1148-E1150 VanDerWaalsContact O-N 3.17Å; E1150-K1496 IonicContact OE1-NZ 3.64Å; E1150-K1496 PolarHBondContact OE1-NZ 3.11Å |
| 1151 | L | 46.7 | Very low | 65.1 | Low | 109.4 Ų | 109.4 | 60.2 Ų | 60.2 | 57% | 0.573 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -122.4 | 140.7 | -178.6 | -84 | 108.8 | 0 | 0 | 0 | 114.6 | Q1147 Q1148 L1155 | Q1147-L1151 PolarHBondContact NE2-O 3.4Å; Q1148-L1151 HydrophobicContact CB-CD1 4.18Å; Q1148-L1151 PolarHBondContact O-N 3.34Å; L1151-L1155 HydrophobicContact CD2-CD1 3.73Å |
| 1152 | S | 45.6 | Very low | 64.5 | Low | 89.6 Ų | 89.6 | 59.2 Ų | 59.2 | 63% | 0.627 | 31% | 0.306 | S | S | * | . | trans | -60.9 | 142.4 | -177.7 | 108.2 | 0 | 0 | 0 | 0 | 113.8 | K1154 | S1152-K1154 PolarHBondContact O-N 3.08Š| ||
| 1153 | A | 47.2 | Very low | 64.1 | Low | 65.8 Ų | 65.8 | 59.3 Ų | 59.3 | 54% | 0.544 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -18.4 | 13.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | M1794 | A1153-M1794 HydrophobicContact CB-CG 3.93Å; A1153-M1794 HydrophobicContact CB-SD 3.79Å |
| 1154 | K | 49.2 | Very low | 63.6 | Low | 174.2 Ų | 174.2 | 58.8 Ų | 58.8 | 76% | 0.757 | 30% | 0.303 | S | S | * | . | trans | -103.2 | -2.7 | -174.3 | -75.5 | -173.6 | 175.5 | -177.5 | 0 | 114.9 | K959 S1152 | K959-K1154 PolarHBondContact NZ-O 3.36Å; S1152-K1154 PolarHBondContact O-N 3.08Å | ||
| 1155 | L | 55 | Low | 63.5 | Low | 80 Ų | 80 | 59 Ų | 59 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | trans | -114.1 | 132 | 177.1 | -77.4 | 121.8 | 0 | 0 | 0 | 109.3 | L1151 P1157 D1160 | L1151-L1155 HydrophobicContact CD2-CD1 3.73Å; L1155-P1157 VanDerWaalsContact C-CD 3.42Å; L1155-P1157 VanDerWaalsContact O-CD 3.25Å; L1155-P1157 WeakPolarHBondContact O-CD 3.28Å; L1155-D1160 WeakPolarHBondContact CD2-OD2 3.49Å | ||
| 1156 | W | 64.5 | Low | 64 | Low | 89.2 Ų | 89.2 | 61 Ų | 61 | 34% | 0.338 | 32% | 0.315 | S | S | . | . | trans | -113.2 | 71.4 | 178 | -66.5 | 89.6 | 0 | 0 | 0 | 108.2 | L1158 Y1159 D1160 N1559 Q1560 Y1563 V1801 | W1156-L1158 VanDerWaalsContact C-N 3.29Å; W1156-L1158 PolarHBondContact O-N 3.03Å; W1156-L1158 VanDerWaalsContact O-N 3.15Å; W1156-Y1159 CarbonylContact O-C 3.49Å; W1156-Y1159 WeakPolarHBondContact O-CA 3.36Å; W1156-Y1159 WeakPolarHBondContact O-CB 3.31Å; W1156-Y1159 PolarHBondContact O-N 3.26Å; W1156-D1160 VanDerWaalsContact O-CG 3.3Å; W1156-D1160 PolarHBondContact O-N 2.99Å; W1156-N1559 HydrophobicContact CH2-CB 4.5Å; W1156-N1559 HydrophobicContact CZ3-CB 4.37Å; W1156-Q1560 VanDerWaalsContact C-OE1 3.32Å; W1156-Q1560 HydrophobicContact CB-CG 4.38Å; W1156-Q1560 HydrophobicContact CD2-CG 4.26Å; W1156-Q1560 HydrophobicContact CE3-CB 4.12Å; W1156-Q1560 HydrophobicContact CE3-CG 3.44Å; W1156-Q1560 VanDerWaalsContact CE3-CG 3.43Å; W1156-Q1560 HydrophobicContact CZ3-CB 4.36Å; W1156-Q1560 HydrophobicContact CZ3-CG 3.91Å; W1156-Q1560 PolarHBondContact O-OE1 3.11Å; W1156-Y1563 HydrophobicContact CE3-CD2 4.22Å; W1156-Y1563 AromaticContact CH2-CD2 3.8Å; W1156-Y1563 HydrophobicContact CH2-CD2 3.8Å; W1156-Y1563 AromaticContact CH2-CE2 3.6Å; W1156-Y1563 HydrophobicContact CH2-CE2 3.6Å; W1156-Y1563 HydrophobicContact CZ2-CE2 4.44Å; W1156-Y1563 AromaticContact CZ3-CD2 3.48Å; W1156-Y1563 HydrophobicContact CZ3-CD2 3.48Å; W1156-Y1563 VanDerWaalsContact CZ3-CD2 3.48Å; W1156-Y1563 AromaticContact CZ3-CE2 3.81Å; W1156-Y1563 HydrophobicContact CZ3-CE2 3.81Å; W1156-V1801 HydrophobicContact CZ2-CG2 4.31Å | ||
| 1157 | P | 67.9 | Low | 64.6 | Low | 23 Ų | 23 | 61.6 Ų | 61.6 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -33.9 | -166.5 | 19.5 | -26.6 | 0 | 0 | 0 | 112.8 | V1028 L1146 L1155 Y1159 D1160 I1161 | V1028-P1157 HydrophobicContact CG1-CB 4.33Å; L1146-P1157 VanDerWaalsContact C-CG 3.49Å; L1146-P1157 HydrophobicContact CB-CB 4.19Å; L1146-P1157 HydrophobicContact CB-CG 4.09Å; L1146-P1157 WeakPolarHBondContact O-CG 3.3Å; L1155-P1157 VanDerWaalsContact C-CD 3.42Å; L1155-P1157 VanDerWaalsContact O-CD 3.25Å; L1155-P1157 WeakPolarHBondContact O-CD 3.28Å; P1157-Y1159 VanDerWaalsContact C-N 3.33Å; P1157-Y1159 PolarHBondContact O-N 2.96Å; P1157-D1160 WeakPolarHBondContact CA-OD2 3.24Å; P1157-D1160 WeakPolarHBondContact O-CB 3.41Å; P1157-D1160 PolarHBondContact O-N 3.1Å; P1157-I1161 WeakPolarHBondContact O-CD1 3.21Å; P1157-I1161 WeakPolarHBondContact O-CG1 3.31Å; P1157-I1161 PolarHBondContact O-N 3.03Å; P1157-I1161 VanDerWaalsContact O-N 3.14Å |
| 1158 | L | 73.6 | Confident | 65.3 | Low | 14.2 Ų | 14.2 | 59 Ų | 59 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.4 | -36.3 | 176.3 | -172.5 | 106.3 | 0 | 0 | 0 | 111.8 | V1058 S1144 L1146 W1156 I1161 L1162 L1557 Q1560 I1561 | V1058-L1158 HydrophobicContact CG1-CD1 3.74Å; V1058-L1158 VanDerWaalsContact CG1-CD1 3.48Å; V1058-L1158 HydrophobicContact CG1-CG 4.31Å; S1144-L1158 WeakPolarHBondContact O-CD1 3.26Å; L1146-L1158 HydrophobicContact CD1-CD1 4.03Å; W1156-L1158 VanDerWaalsContact C-N 3.29Å; W1156-L1158 PolarHBondContact O-N 3.03Å; W1156-L1158 VanDerWaalsContact O-N 3.15Å; L1158-I1161 PolarHBondContact O-N 2.93Å; L1158-L1162 HydrophobicContact CD1-CD1 4.11Å; L1158-L1162 HydrophobicContact CD1-CG 3.93Å; L1158-L1162 HydrophobicContact CD2-CD1 3.74Å; L1158-L1162 VanDerWaalsContact CD2-CD1 3.48Å; L1158-L1162 HydrophobicContact CD2-CG 4.44Å; L1158-L1162 HydrophobicContact CG-CD1 3.74Å; L1158-L1162 HydrophobicContact CG-CG 4.21Å; L1158-L1162 VanDerWaalsContact O-CB 3.25Å; L1158-L1162 WeakPolarHBondContact O-CB 3.39Å; L1158-L1162 VanDerWaalsContact O-CG 3.26Å; L1158-L1162 WeakPolarHBondContact O-CG 3.24Å; L1158-L1162 PolarHBondContact O-N 2.85Å; L1158-L1557 HydrophobicContact CD1-CD1 3.64Å; L1158-L1557 HydrophobicContact CD2-CD1 3.63Å; L1158-L1557 HydrophobicContact CG-CD1 4.41Å; L1158-Q1560 HydrophobicContact CB-CB 4.5Å; L1158-Q1560 HydrophobicContact CD2-CB 4.02Å; L1158-Q1560 VanDerWaalsContact N-OE1 3.1Å; L1158-I1561 HydrophobicContact CD2-CG1 4.4Å |
| 1159 | Y | 75.7 | Confident | 66.6 | Low | 58.4 Ų | 58.4 | 58 Ų | 58 | 23% | 0.229 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 170.6 | 172.7 | -90.7 | 0 | 0 | 0 | 111.3 | W1156 P1157 I1161 L1162 N1163 V1564 A1567 | W1156-Y1159 CarbonylContact O-C 3.49Å; W1156-Y1159 WeakPolarHBondContact O-CA 3.36Å; W1156-Y1159 WeakPolarHBondContact O-CB 3.31Å; W1156-Y1159 PolarHBondContact O-N 3.26Å; P1157-Y1159 VanDerWaalsContact C-N 3.33Å; P1157-Y1159 PolarHBondContact O-N 2.96Å; Y1159-I1161 PolarHBondContact O-N 3.23Å; Y1159-I1161 VanDerWaalsContact O-N 3.11Å; Y1159-L1162 PolarHBondContact O-N 3.15Å; Y1159-N1163 HydrophobicContact CD1-CB 4.3Å; Y1159-N1163 HydrophobicContact CD2-CB 4.27Å; Y1159-N1163 HydrophobicContact CE1-CB 4.33Å; Y1159-N1163 HydrophobicContact CE2-CB 4.07Å; Y1159-N1163 WeakPolarHBondContact CE2-ND2 3.48Å; Y1159-N1163 HydrophobicContact CG-CB 4.46Å; Y1159-N1163 VanDerWaalsContact CZ-ND2 3.25Å; Y1159-N1163 VanDerWaalsContact O-CB 3.27Å; Y1159-N1163 WeakPolarHBondContact O-CB 3.37Å; Y1159-N1163 PolarHBondContact O-N 3.06Å; Y1159-N1163 PolarHBondContact OH-ND2 3.05Å; Y1159-N1163 VanDerWaalsContact OH-ND2 3.12Å; Y1159-V1564 HydrophobicContact CD2-CB 4.47Å; Y1159-V1564 HydrophobicContact CD2-CG2 3.68Å; Y1159-V1564 HydrophobicContact CE2-CG2 4.46Å; Y1159-V1564 HydrophobicContact CG-CG2 4.35Å; Y1159-A1567 HydrophobicContact CE2-CB 3.92Å |
| 1160 | D | 71.5 | Confident | 67.9 | Low | 34 Ų | 34 | 57.6 Ų | 57.6 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -21.9 | 179.8 | -66.4 | -34 | 0 | 0 | 0 | 112.5 | L957 K959 L1155 W1156 P1157 P1164 | L957-D1160 HydrophobicContact CD2-CB 4Å; L957-D1160 WeakPolarHBondContact CD2-O 3.31Å; K959-D1160 IonicContact NZ-OD1 3.35Å; K959-D1160 PolarHBondContact NZ-OD1 2.99Å; K959-D1160 IonicContact NZ-OD2 3.15Å; K959-D1160 PolarHBondContact NZ-OD2 2.82Å; L1155-D1160 WeakPolarHBondContact CD2-OD2 3.49Å; W1156-D1160 VanDerWaalsContact O-CG 3.3Å; W1156-D1160 PolarHBondContact O-N 2.99Å; P1157-D1160 WeakPolarHBondContact CA-OD2 3.24Å; P1157-D1160 WeakPolarHBondContact O-CB 3.41Å; P1157-D1160 PolarHBondContact O-N 3.1Å; D1160-P1164 VanDerWaalsContact O-CD 3.27Å; D1160-P1164 WeakPolarHBondContact O-CD 3.39Å; D1160-P1164 WeakPolarHBondContact O-CG 3.28Å |
| 1161 | I | 74.5 | Confident | 69.3 | Low | 4.8 Ų | 4.8 | 52.9 Ų | 52.9 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -91.2 | -56.8 | 172.7 | -62.5 | 157.2 | 0 | 0 | 0 | 111.2 | S976 Q1020 V1058 L1146 P1157 L1158 Y1159 N1163 P1164 S1165 | S976-I1161 WeakPolarHBondContact OG-CG2 3.47Å; Q1020-I1161 HydrophobicContact CB-CD1 4.4Å; Q1020-I1161 VanDerWaalsContact CD-CD1 3.45Å; Q1020-I1161 HydrophobicContact CG-CD1 4.08Å; Q1020-I1161 HydrophobicContact CG-CG1 4.33Å; Q1020-I1161 VanDerWaalsContact OE1-CD1 3.29Å; V1058-I1161 HydrophobicContact CG2-CD1 4.34Å; V1058-I1161 HydrophobicContact CG2-CG2 4.42Å; L1146-I1161 HydrophobicContact CD1-CD1 3.86Å; L1146-I1161 HydrophobicContact CD2-CD1 4.39Å; P1157-I1161 WeakPolarHBondContact O-CD1 3.21Å; P1157-I1161 WeakPolarHBondContact O-CG1 3.31Å; P1157-I1161 PolarHBondContact O-N 3.03Å; P1157-I1161 VanDerWaalsContact O-N 3.14Å; L1158-I1161 PolarHBondContact O-N 2.93Å; Y1159-I1161 PolarHBondContact O-N 3.23Å; Y1159-I1161 VanDerWaalsContact O-N 3.11Å; I1161-N1163 VanDerWaalsContact C-N 3.33Å; I1161-N1163 PolarHBondContact O-N 3.12Å; I1161-P1164 WeakPolarHBondContact O-CD 3.11Å; I1161-P1164 VanDerWaalsContact O-CG 3.3Å; I1161-P1164 WeakPolarHBondContact O-CG 3.32Å; I1161-S1165 VanDerWaalsContact O-CB 3.29Å; I1161-S1165 WeakPolarHBondContact O-CB 3.37Å; I1161-S1165 PolarHBondContact O-N 3.14Å; I1161-S1165 VanDerWaalsContact O-N 3.15Å; I1161-S1165 PolarHBondContact O-OG 2.99Å |
| 1162 | L | 78.5 | Confident | 70.9 | Confident | 35.8 Ų | 35.8 | 47.7 Ų | 47.7 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -36.3 | -169.8 | -70.8 | 179.7 | 0 | 0 | 0 | 113.1 | L1018 V1058 L1158 Y1159 S1165 I1166 V1564 | L1018-L1162 HydrophobicContact CD2-CD2 3.64Å; V1058-L1162 HydrophobicContact CG1-CD2 4.43Å; L1158-L1162 HydrophobicContact CD1-CD1 4.11Å; L1158-L1162 HydrophobicContact CD1-CG 3.93Å; L1158-L1162 HydrophobicContact CD2-CD1 3.74Å; L1158-L1162 VanDerWaalsContact CD2-CD1 3.48Å; L1158-L1162 HydrophobicContact CD2-CG 4.44Å; L1158-L1162 HydrophobicContact CG-CD1 3.74Å; L1158-L1162 HydrophobicContact CG-CG 4.21Å; L1158-L1162 VanDerWaalsContact O-CB 3.25Å; L1158-L1162 WeakPolarHBondContact O-CB 3.39Å; L1158-L1162 VanDerWaalsContact O-CG 3.26Å; L1158-L1162 WeakPolarHBondContact O-CG 3.24Å; L1158-L1162 PolarHBondContact O-N 2.85Å; Y1159-L1162 PolarHBondContact O-N 3.15Å; L1162-S1165 WeakPolarHBondContact O-CA 3.44Å; L1162-S1165 WeakPolarHBondContact O-CB 3.39Å; L1162-S1165 PolarHBondContact O-N 3.3Å; L1162-S1165 VanDerWaalsContact O-N 3.17Å; L1162-I1166 HydrophobicContact CB-CD1 4.44Å; L1162-I1166 WeakPolarHBondContact O-CG1 3.39Å; L1162-I1166 PolarHBondContact O-N 3.13Å; L1162-V1564 HydrophobicContact CB-CG1 4.3Å; L1162-V1564 HydrophobicContact CB-CG2 3.94Å |
| 1163 | N | 78.6 | Confident | 72.7 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -56.3 | -179.5 | -179 | 26 | 0 | 0 | 0 | 112.2 | E958 Y1159 I1161 S1165 I1166 A1167 V1564 K1571 | E958-N1163 PolarHBondContact OE1-ND2 2.92Å; Y1159-N1163 HydrophobicContact CD1-CB 4.3Å; Y1159-N1163 HydrophobicContact CD2-CB 4.27Å; Y1159-N1163 HydrophobicContact CE1-CB 4.33Å; Y1159-N1163 HydrophobicContact CE2-CB 4.07Å; Y1159-N1163 WeakPolarHBondContact CE2-ND2 3.48Å; Y1159-N1163 HydrophobicContact CG-CB 4.46Å; Y1159-N1163 VanDerWaalsContact CZ-ND2 3.25Å; Y1159-N1163 VanDerWaalsContact O-CB 3.27Å; Y1159-N1163 WeakPolarHBondContact O-CB 3.37Å; Y1159-N1163 PolarHBondContact O-N 3.06Å; Y1159-N1163 PolarHBondContact OH-ND2 3.05Å; Y1159-N1163 VanDerWaalsContact OH-ND2 3.12Å; I1161-N1163 VanDerWaalsContact C-N 3.33Å; I1161-N1163 PolarHBondContact O-N 3.12Å; N1163-S1165 VanDerWaalsContact C-N 3.28Å; N1163-S1165 PolarHBondContact O-N 3.04Å; N1163-I1166 PolarHBondContact O-N 2.92Å; N1163-A1167 WeakPolarHBondContact O-CB 3.33Å; N1163-A1167 PolarHBondContact O-N 3.09Å; N1163-V1564 HydrophobicContact CB-CG2 4.46Å; N1163-K1571 PolarHBondContact ND2-NZ 3.08Å; N1163-K1571 PolarHBondContact OD1-NZ 3.1Å |
| 1164 | P | 72.7 | Confident | 74.2 | Confident | 22.6 Ų | 22.6 | 47.5 Ų | 47.5 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -30.8 | 174.3 | 20.4 | -27.4 | 0 | 0 | 0 | 112.7 | Q953 A974 D1160 I1161 S1168 | Q953-P1164 PolarHBondContact NE2-O 2.86Å; A974-P1164 HydrophobicContact CB-CG 4.12Å; D1160-P1164 VanDerWaalsContact O-CD 3.27Å; D1160-P1164 WeakPolarHBondContact O-CD 3.39Å; D1160-P1164 WeakPolarHBondContact O-CG 3.28Å; I1161-P1164 WeakPolarHBondContact O-CD 3.11Å; I1161-P1164 VanDerWaalsContact O-CG 3.3Å; I1161-P1164 WeakPolarHBondContact O-CG 3.32Å; P1164-S1168 VanDerWaalsContact O-CB 3.29Å; P1164-S1168 WeakPolarHBondContact O-CB 3.37Å; P1164-S1168 PolarHBondContact O-N 3.18Å; P1164-S1168 VanDerWaalsContact O-N 3.11Å; P1164-S1168 PolarHBondContact O-OG 2.97Å; P1164-S1168 VanDerWaalsContact O-OG 3.13Å |
| 1165 | S | 76.5 | Confident | 75.5 | Confident | 7.6 Ų | 7.6 | 41.4 Ų | 41.4 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -59.7 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | Q953 S976 I1161 L1162 N1163 A1167 S1168 W1169 | Q953-S1165 PolarHBondContact NE2-OG 3.03Å; Q953-S1165 PolarHBondContact OE1-OG 3.34Å; S976-S1165 WeakPolarHBondContact CB-OG 3.35Å; S976-S1165 PolarHBondContact OG-OG 3.14Å; I1161-S1165 VanDerWaalsContact O-CB 3.29Å; I1161-S1165 WeakPolarHBondContact O-CB 3.37Å; I1161-S1165 PolarHBondContact O-N 3.14Å; I1161-S1165 VanDerWaalsContact O-N 3.15Å; I1161-S1165 PolarHBondContact O-OG 2.99Å; L1162-S1165 WeakPolarHBondContact O-CA 3.44Å; L1162-S1165 WeakPolarHBondContact O-CB 3.39Å; L1162-S1165 PolarHBondContact O-N 3.3Å; L1162-S1165 VanDerWaalsContact O-N 3.17Å; N1163-S1165 VanDerWaalsContact C-N 3.28Å; N1163-S1165 PolarHBondContact O-N 3.04Å; S1165-A1167 VanDerWaalsContact C-N 3.35Å; S1165-A1167 PolarHBondContact O-N 3.45Å; S1165-S1168 PolarHBondContact O-N 3.42Å; S1165-S1168 PolarHBondContact O-OG 3.1Å; S1165-S1168 VanDerWaalsContact O-OG 3.1Å; S1165-W1169 VanDerWaalsContact O-CD1 3.26Å; S1165-W1169 PolarHBondContact O-N 3.02Å |
| 1166 | I | 80.6 | Confident | 76.8 | Confident | 78 Ų | 78 | 39.6 Ų | 39.6 | 40% | 0.4 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.9 | -42 | -175.9 | -61.7 | 165.5 | 0 | 0 | 0 | 110.5 | L1162 N1163 S1168 W1169 Q1170 V1564 L1568 | L1162-I1166 HydrophobicContact CB-CD1 4.44Å; L1162-I1166 WeakPolarHBondContact O-CG1 3.39Å; L1162-I1166 PolarHBondContact O-N 3.13Å; N1163-I1166 PolarHBondContact O-N 2.92Å; I1166-S1168 VanDerWaalsContact C-N 3.28Å; I1166-S1168 PolarHBondContact O-N 3.05Å; I1166-W1169 PolarHBondContact O-N 3.13Å; I1166-W1169 VanDerWaalsContact O-N 3.15Å; I1166-Q1170 WeakPolarHBondContact O-CB 3.44Å; I1166-Q1170 PolarHBondContact O-N 3.02Å; I1166-V1564 HydrophobicContact CD1-CG1 4.07Å; I1166-L1568 HydrophobicContact CB-CD1 4.06Å; I1166-L1568 HydrophobicContact CB-CD2 4.17Å; I1166-L1568 HydrophobicContact CD1-CD1 4.21Å; I1166-L1568 HydrophobicContact CG2-CD1 3.59Å; I1166-L1568 HydrophobicContact CG2-CD2 4Å; I1166-L1568 HydrophobicContact CG2-CG 4.47Å |
| 1167 | A | 77.1 | Confident | 77.7 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -38.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1163 S1165 Q1170 Q1171 L1568 K1571 | N1163-A1167 WeakPolarHBondContact O-CB 3.33Å; N1163-A1167 PolarHBondContact O-N 3.09Å; S1165-A1167 VanDerWaalsContact C-N 3.35Å; S1165-A1167 PolarHBondContact O-N 3.45Å; A1167-Q1170 PolarHBondContact O-N 3.23Å; A1167-Q1171 VanDerWaalsContact O-CB 3.29Å; A1167-Q1171 WeakPolarHBondContact O-CB 3.38Å; A1167-Q1171 VanDerWaalsContact O-CG 3.28Å; A1167-Q1171 WeakPolarHBondContact O-CG 3.38Å; A1167-Q1171 PolarHBondContact O-N 3.14Å; A1167-L1568 HydrophobicContact CB-CD2 3.96Å; A1167-K1571 HydrophobicContact CB-CD 4.2Å |
| 1168 | S | 77.1 | Confident | 78.2 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 178.4 | 66.5 | 0 | 0 | 0 | 0 | 113 | Q953 P1164 S1165 I1166 A1172 | Q953-S1168 WeakPolarHBondContact CB-OG 3.49Å; Q953-S1168 WeakPolarHBondContact CG-OG 3.36Å; P1164-S1168 VanDerWaalsContact O-CB 3.29Å; P1164-S1168 WeakPolarHBondContact O-CB 3.37Å; P1164-S1168 PolarHBondContact O-N 3.18Å; P1164-S1168 VanDerWaalsContact O-N 3.11Å; P1164-S1168 PolarHBondContact O-OG 2.97Å; P1164-S1168 VanDerWaalsContact O-OG 3.13Å; S1165-S1168 PolarHBondContact O-N 3.42Å; S1165-S1168 PolarHBondContact O-OG 3.1Å; S1165-S1168 VanDerWaalsContact O-OG 3.1Å; I1166-S1168 VanDerWaalsContact C-N 3.28Å; I1166-S1168 PolarHBondContact O-N 3.05Å; S1168-A1172 VanDerWaalsContact O-CB 3.3Å; S1168-A1172 WeakPolarHBondContact O-CB 3.36Å; S1168-A1172 PolarHBondContact O-N 3.03Å; S1168-A1172 VanDerWaalsContact O-N 3.12Å |
| 1169 | W | 84.6 | Confident | 78.4 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | 173.6 | -76.7 | 100.7 | 0 | 0 | 0 | 111.8 | T878 S879 P880 I883 T951 S1165 I1166 Q1171 A1172 I1173 | T878-W1169 HydrophobicContact CG2-CH2 3.68Å; T878-W1169 HydrophobicContact CG2-CZ2 4.47Å; T878-W1169 HydrophobicContact CG2-CZ3 4.19Å; S879-W1169 VanDerWaalsContact C-CH2 3.42Å; S879-W1169 VanDerWaalsContact CA-CH2 3.48Å; P880-W1169 HydrophobicContact CG-CD2 4.13Å; P880-W1169 HydrophobicContact CG-CE3 4.49Å; P880-W1169 HydrophobicContact CG-CG 4.32Å; P880-W1169 HydrophobicContact CG-CZ2 4.22Å; I883-W1169 HydrophobicContact CD1-CE3 3.74Å; I883-W1169 HydrophobicContact CD1-CZ3 3.49Å; I883-W1169 VanDerWaalsContact CD1-CZ3 3.42Å; I883-W1169 HydrophobicContact CG1-CZ3 4.2Å; T951-W1169 HydrophobicContact CG2-CH2 4.32Å; T951-W1169 HydrophobicContact CG2-CZ2 4.14Å; S1165-W1169 VanDerWaalsContact O-CD1 3.26Å; S1165-W1169 PolarHBondContact O-N 3.02Å; I1166-W1169 PolarHBondContact O-N 3.13Å; I1166-W1169 VanDerWaalsContact O-N 3.15Å; W1169-Q1171 VanDerWaalsContact C-N 3.32Å; W1169-Q1171 PolarHBondContact O-N 3.34Å; W1169-A1172 PolarHBondContact O-N 3.1Å; W1169-I1173 HydrophobicContact CB-CD1 4.4Å; W1169-I1173 HydrophobicContact CE3-CD1 4.43Å; W1169-I1173 VanDerWaalsContact O-CB 3.27Å; W1169-I1173 WeakPolarHBondContact O-CB 3.36Å; W1169-I1173 VanDerWaalsContact O-CG1 3.24Å; W1169-I1173 WeakPolarHBondContact O-CG1 3.45Å; W1169-I1173 PolarHBondContact O-N 3.11Å |
| 1170 | Q | 81 | Confident | 78.7 | Confident | 79.6 Ų | 79.6 | 42.9 Ų | 42.9 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 177.2 | -178.1 | 173.9 | -13.2 | 0 | 0 | 111.3 | I1166 A1167 S1174 D1572 | I1166-Q1170 WeakPolarHBondContact O-CB 3.44Å; I1166-Q1170 PolarHBondContact O-N 3.02Å; A1167-Q1170 PolarHBondContact O-N 3.23Å; Q1170-S1174 WeakPolarHBondContact O-CB 3.36Å; Q1170-S1174 PolarHBondContact O-N 3.08Å; Q1170-D1572 PolarHBondContact NE2-OD1 3.05Å; Q1170-D1572 PolarHBondContact NE2-OD2 2.92Å |
| 1171 | Q | 76.3 | Confident | 79.1 | Confident | 52.4 Ų | 52.4 | 44.2 Ų | 44.2 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 176.4 | -143.4 | 176.2 | 30.9 | 0 | 0 | 112.4 | A1167 W1169 I1173 S1174 R1175 Y1575 | A1167-Q1171 VanDerWaalsContact O-CB 3.29Å; A1167-Q1171 WeakPolarHBondContact O-CB 3.38Å; A1167-Q1171 VanDerWaalsContact O-CG 3.28Å; A1167-Q1171 WeakPolarHBondContact O-CG 3.38Å; A1167-Q1171 PolarHBondContact O-N 3.14Å; W1169-Q1171 VanDerWaalsContact C-N 3.32Å; W1169-Q1171 PolarHBondContact O-N 3.34Å; Q1171-I1173 VanDerWaalsContact C-N 3.33Å; Q1171-I1173 PolarHBondContact O-N 2.78Å; Q1171-S1174 PolarHBondContact O-N 3.03Å; Q1171-R1175 VanDerWaalsContact CD-NH1 3.28Å; Q1171-R1175 VanDerWaalsContact O-CB 3.28Å; Q1171-R1175 WeakPolarHBondContact O-CB 3.24Å; Q1171-R1175 VanDerWaalsContact O-CG 3.26Å; Q1171-R1175 WeakPolarHBondContact O-CG 3.33Å; Q1171-R1175 PolarHBondContact O-N 2.88Å; Q1171-Y1575 HydrophobicContact CB-CE2 4.3Å; Q1171-Y1575 HydrophobicContact CG-CE2 4Å; Q1171-Y1575 PolarHBondContact O-OH 3.08Å |
| 1172 | A | 80.4 | Confident | 79.2 | Confident | 1.2 Ų | 1.2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P880 I883 E884 S1168 W1169 R1175 L1176 | P880-A1172 HydrophobicContact CB-CB 4.07Å; I883-A1172 HydrophobicContact CB-CB 4.06Å; I883-A1172 HydrophobicContact CG2-CB 3.8Å; I883-A1172 VanDerWaalsContact CG2-O 3.25Å; I883-A1172 WeakPolarHBondContact CG2-O 3.28Å; E884-A1172 HydrophobicContact CG-CB 4.35Å; S1168-A1172 VanDerWaalsContact O-CB 3.3Å; S1168-A1172 WeakPolarHBondContact O-CB 3.36Å; S1168-A1172 PolarHBondContact O-N 3.03Å; S1168-A1172 VanDerWaalsContact O-N 3.12Å; W1169-A1172 PolarHBondContact O-N 3.1Å; A1172-R1175 PolarHBondContact O-N 2.82Å; A1172-L1176 WeakPolarHBondContact O-CB 3.36Å; A1172-L1176 PolarHBondContact O-N 3Å |
| 1173 | I | 83.9 | Confident | 79.2 | Confident | 90.6 Ų | 90.6 | 47.4 Ų | 47.4 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 177.5 | -67.1 | 166.9 | 0 | 0 | 0 | 110.8 | I883 W1169 Q1171 R1175 L1176 N1177 | I883-I1173 HydrophobicContact CD1-CD1 4.43Å; I883-I1173 HydrophobicContact CD1-CG1 3.74Å; W1169-I1173 HydrophobicContact CB-CD1 4.4Å; W1169-I1173 HydrophobicContact CE3-CD1 4.43Å; W1169-I1173 VanDerWaalsContact O-CB 3.27Å; W1169-I1173 WeakPolarHBondContact O-CB 3.36Å; W1169-I1173 VanDerWaalsContact O-CG1 3.24Å; W1169-I1173 WeakPolarHBondContact O-CG1 3.45Å; W1169-I1173 PolarHBondContact O-N 3.11Å; Q1171-I1173 VanDerWaalsContact C-N 3.33Å; Q1171-I1173 PolarHBondContact O-N 2.78Å; I1173-R1175 VanDerWaalsContact C-N 3.32Å; I1173-R1175 PolarHBondContact O-N 3.22Å; I1173-L1176 PolarHBondContact O-N 3.12Å; I1173-N1177 VanDerWaalsContact O-CB 3.3Å; I1173-N1177 WeakPolarHBondContact O-CB 3.41Å; I1173-N1177 PolarHBondContact O-N 3.18Å |
| 1174 | S | 79.2 | Confident | 79.2 | Confident | 59.8 Ų | 59.8 | 52.1 Ų | 52.1 | 42% | 0.418 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.9 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | Q1170 Q1171 L1176 N1177 E1178 Y1575 | Q1170-S1174 WeakPolarHBondContact O-CB 3.36Å; Q1170-S1174 PolarHBondContact O-N 3.08Å; Q1171-S1174 PolarHBondContact O-N 3.03Å; S1174-L1176 VanDerWaalsContact C-N 3.32Å; S1174-L1176 PolarHBondContact O-N 3.17Å; S1174-N1177 WeakPolarHBondContact O-CB 3.43Å; S1174-N1177 PolarHBondContact O-N 3Å; S1174-N1177 VanDerWaalsContact O-N 3.15Å; S1174-E1178 WeakPolarHBondContact O-CB 3.31Å; S1174-E1178 PolarHBondContact O-N 2.87Å; S1174-Y1575 WeakPolarHBondContact CB-OH 3.19Å; S1174-Y1575 WeakPolarHBondContact OG-CE1 3.06Å |
| 1175 | R | 76.3 | Confident | 79.4 | Confident | 45.8 Ų | 45.8 | 56.7 Ų | 56.7 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.4 | -75.4 | 175.5 | 175.3 | 159.9 | 1.3 | 112.5 | F780 P781 E884 Q1171 A1172 I1173 N1177 E1178 S1179 Y1575 V1579 | F780-R1175 PolarHBondContact O-NH2 3.25Å; P781-R1175 PolarHBondContact O-NH2 3.41Å; E884-R1175 IonicContact OE1-CZ 3.36Å; E884-R1175 IonicContact OE1-NH1 2.95Å; E884-R1175 PolarHBondContact OE1-NH1 3.22Å; E884-R1175 VanDerWaalsContact OE1-NH1 3.13Å; Q1171-R1175 VanDerWaalsContact CD-NH1 3.28Å; Q1171-R1175 VanDerWaalsContact O-CB 3.28Å; Q1171-R1175 WeakPolarHBondContact O-CB 3.24Å; Q1171-R1175 VanDerWaalsContact O-CG 3.26Å; Q1171-R1175 WeakPolarHBondContact O-CG 3.33Å; Q1171-R1175 PolarHBondContact O-N 2.88Å; A1172-R1175 PolarHBondContact O-N 2.82Å; I1173-R1175 VanDerWaalsContact C-N 3.32Å; I1173-R1175 PolarHBondContact O-N 3.22Å; R1175-N1177 VanDerWaalsContact C-N 3.32Å; R1175-N1177 PolarHBondContact O-N 2.76Å; R1175-E1178 PolarHBondContact O-N 2.81Å; R1175-S1179 VanDerWaalsContact O-CB 3.26Å; R1175-S1179 WeakPolarHBondContact O-CB 3.28Å; R1175-S1179 PolarHBondContact O-N 3Å; R1175-S1179 PolarHBondContact O-OG 3.39Å; R1175-Y1575 VanDerWaalsContact CG-OH 3.26Å; R1175-Y1575 WeakPolarHBondContact CG-OH 3.34Å; R1175-Y1575 PolarHBondContact N-OH 3.05Å; R1175-Y1575 VanDerWaalsContact N-OH 3.16Å; R1175-Y1575 PolarHBondContact NE-OH 2.97Å; R1175-V1579 HydrophobicContact CG-CG1 4.41Å |
| 1176 | L | 82.3 | Confident | 79.4 | Confident | 43.4 Ų | 43.4 | 58.6 Ų | 58.6 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176 | 177.2 | 64.6 | 0 | 0 | 0 | 110.9 | I883 I886 L890 A1172 I1173 S1174 S1179 A1180 | I883-L1176 HydrophobicContact CG2-CB 3.8Å; I883-L1176 HydrophobicContact CG2-CD2 3.93Å; I883-L1176 HydrophobicContact CG2-CG 4.42Å; I886-L1176 HydrophobicContact CB-CD1 4.4Å; I886-L1176 HydrophobicContact CG2-CD1 3.89Å; L890-L1176 HydrophobicContact CD1-CD1 3.53Å; L890-L1176 VanDerWaalsContact CD1-CD1 3.47Å; A1172-L1176 WeakPolarHBondContact O-CB 3.36Å; A1172-L1176 PolarHBondContact O-N 3Å; I1173-L1176 PolarHBondContact O-N 3.12Å; S1174-L1176 VanDerWaalsContact C-N 3.32Å; S1174-L1176 PolarHBondContact O-N 3.17Å; L1176-S1179 PolarHBondContact O-N 3.12Å; L1176-A1180 VanDerWaalsContact O-CB 3.27Å; L1176-A1180 WeakPolarHBondContact O-CB 3.34Å; L1176-A1180 PolarHBondContact O-N 2.94Å |
| 1177 | N | 84 | Confident | 79.3 | Confident | 101.4 Ų | 101.4 | 57.8 Ų | 57.8 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 178.8 | -172.5 | 51 | 0 | 0 | 0 | 111.7 | I1173 S1174 R1175 S1179 A1180 C1181 | I1173-N1177 VanDerWaalsContact O-CB 3.3Å; I1173-N1177 WeakPolarHBondContact O-CB 3.41Å; I1173-N1177 PolarHBondContact O-N 3.18Å; S1174-N1177 WeakPolarHBondContact O-CB 3.43Å; S1174-N1177 PolarHBondContact O-N 3Å; S1174-N1177 VanDerWaalsContact O-N 3.15Å; R1175-N1177 VanDerWaalsContact C-N 3.32Å; R1175-N1177 PolarHBondContact O-N 2.76Å; N1177-S1179 PolarHBondContact O-N 3.43Å; N1177-A1180 PolarHBondContact O-N 3.22Å; N1177-C1181 WeakPolarHBondContact O-CB 3.42Å; N1177-C1181 PolarHBondContact O-N 3.08Å; N1177-C1181 PolarHBondContact O-SG 3.05Å; N1177-C1181 VanDerWaalsContact O-SG 3.36Å |
| 1178 | E | 77.6 | Confident | 79.3 | Confident | 92.6 Ų | 92.6 | 59.3 Ų | 59.3 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 175.1 | -170 | -171.1 | 177.3 | 0 | 0 | 111.5 | S1174 R1175 A1180 C1181 K1182 V1579 | S1174-E1178 WeakPolarHBondContact O-CB 3.31Å; S1174-E1178 PolarHBondContact O-N 2.87Å; R1175-E1178 PolarHBondContact O-N 2.81Å; E1178-A1180 VanDerWaalsContact C-N 3.34Å; E1178-A1180 PolarHBondContact O-N 3.15Å; E1178-C1181 PolarHBondContact O-N 3.16Å; E1178-K1182 VanDerWaalsContact CD-NZ 3.32Å; E1178-K1182 HydrophobicContact CG-CD 4.25Å; E1178-K1182 VanDerWaalsContact O-CB 3.29Å; E1178-K1182 WeakPolarHBondContact O-CB 3.22Å; E1178-K1182 VanDerWaalsContact O-CG 3.29Å; E1178-K1182 WeakPolarHBondContact O-CG 3.22Å; E1178-K1182 PolarHBondContact O-N 3.01Å; E1178-K1182 VanDerWaalsContact OE1-CE 3.24Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.35Å; E1178-K1182 IonicContact OE1-NZ 3.06Å; E1178-K1182 PolarHBondContact OE1-NZ 2.95Å; E1178-V1579 WeakPolarHBondContact OE2-CG1 3.34Å |
| 1179 | S | 77.6 | Confident | 79.4 | Confident | 20.2 Ų | 20.2 | 60 Ų | 60 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 174.9 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | N891 R1175 L1176 N1177 C1183 | N891-S1179 PolarHBondContact ND2-OG 3.22Å; N891-S1179 WeakPolarHBondContact OD1-CB 3.27Å; N891-S1179 PolarHBondContact OD1-OG 2.94Å; R1175-S1179 VanDerWaalsContact O-CB 3.26Å; R1175-S1179 WeakPolarHBondContact O-CB 3.28Å; R1175-S1179 PolarHBondContact O-N 3Å; R1175-S1179 PolarHBondContact O-OG 3.39Å; L1176-S1179 PolarHBondContact O-N 3.12Å; N1177-S1179 PolarHBondContact O-N 3.43Å; S1179-C1183 WeakPolarHBondContact O-CB 3.34Å; S1179-C1183 PolarHBondContact O-N 3Å |
| 1180 | A | 82 | Confident | 79 | Confident | 39.8 Ų | 39.8 | 58.1 Ų | 58.1 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L890 L1176 N1177 E1178 C1183 H1184 | L890-A1180 HydrophobicContact CD1-CB 4.22Å; L1176-A1180 VanDerWaalsContact O-CB 3.27Å; L1176-A1180 WeakPolarHBondContact O-CB 3.34Å; L1176-A1180 PolarHBondContact O-N 2.94Å; N1177-A1180 PolarHBondContact O-N 3.22Å; E1178-A1180 VanDerWaalsContact C-N 3.34Å; E1178-A1180 PolarHBondContact O-N 3.15Å; A1180-C1183 PolarHBondContact O-N 3.1Å; A1180-H1184 VanDerWaalsContact O-CB 3.25Å; A1180-H1184 WeakPolarHBondContact O-CB 3.35Å; A1180-H1184 PolarHBondContact O-N 3.21Å |
| 1181 | C | 80.5 | Confident | 78.9 | Confident | 60.2 Ų | 60.2 | 55.9 Ų | 55.9 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 174.4 | -71.6 | 0 | 0 | 0 | 0 | 111.1 | N1177 E1178 C1183 H1184 E1185 | N1177-C1181 WeakPolarHBondContact O-CB 3.42Å; N1177-C1181 PolarHBondContact O-N 3.08Å; N1177-C1181 PolarHBondContact O-SG 3.05Å; N1177-C1181 VanDerWaalsContact O-SG 3.36Å; E1178-C1181 PolarHBondContact O-N 3.16Å; C1181-C1183 PolarHBondContact O-N 3.09Å; C1181-H1184 CarbonylContact O-C 3.6Å; C1181-H1184 WeakPolarHBondContact O-CB 3.26Å; C1181-H1184 PolarHBondContact O-N 2.97Å; C1181-H1184 VanDerWaalsContact O-N 3.13Å; C1181-E1185 WeakPolarHBondContact O-CB 3.49Å; C1181-E1185 WeakPolarHBondContact O-CG 3.37Å; C1181-E1185 PolarHBondContact O-N 3.17Å |
| 1182 | K | 76 | Confident | 79.2 | Confident | 93.6 Ų | 93.6 | 55 Ų | 55 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.5 | -111.2 | 177.5 | 178.2 | -177 | 0 | 112.1 | E894 E1178 H1184 E1185 N1186 | E894-K1182 WeakPolarHBondContact OE1-CE 3.27Å; E894-K1182 IonicContact OE1-NZ 2.96Å; E894-K1182 PolarHBondContact OE1-NZ 2.92Å; E894-K1182 IonicContact OE2-NZ 2.6Å; E894-K1182 PolarHBondContact OE2-NZ 3.38Å; E1178-K1182 VanDerWaalsContact CD-NZ 3.32Å; E1178-K1182 HydrophobicContact CG-CD 4.25Å; E1178-K1182 VanDerWaalsContact O-CB 3.29Å; E1178-K1182 WeakPolarHBondContact O-CB 3.22Å; E1178-K1182 VanDerWaalsContact O-CG 3.29Å; E1178-K1182 WeakPolarHBondContact O-CG 3.22Å; E1178-K1182 PolarHBondContact O-N 3.01Å; E1178-K1182 VanDerWaalsContact OE1-CE 3.24Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.35Å; E1178-K1182 IonicContact OE1-NZ 3.06Å; E1178-K1182 PolarHBondContact OE1-NZ 2.95Å; K1182-H1184 VanDerWaalsContact C-N 3.32Å; K1182-H1184 PolarHBondContact O-N 2.96Å; K1182-E1185 PolarHBondContact O-N 3.16Å; K1182-N1186 VanDerWaalsContact O-CB 3.28Å; K1182-N1186 WeakPolarHBondContact O-CB 3.3Å; K1182-N1186 VanDerWaalsContact O-CG 3.26Å; K1182-N1186 PolarHBondContact O-N 3.23Å; K1182-N1186 PolarHBondContact O-ND2 3.18Å |
| 1183 | C | 77.9 | Confident | 79.2 | Confident | 14.8 Ų | 14.8 | 55.3 Ų | 55.3 | 10% | 0.1 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | F898 S1179 A1180 C1181 F1187 | F898-C1183 WeakPolarHBondContact CE2-O 2.98Å; F898-C1183 VanDerWaalsContact CE2-SG 3.52Å; F898-C1183 VanDerWaalsContact CZ-O 3.26Å; F898-C1183 WeakPolarHBondContact CZ-O 3.21Å; F898-C1183 VanDerWaalsContact CZ-SG 3.54Å; S1179-C1183 WeakPolarHBondContact O-CB 3.34Å; S1179-C1183 PolarHBondContact O-N 3Å; A1180-C1183 PolarHBondContact O-N 3.1Å; C1181-C1183 PolarHBondContact O-N 3.09Å; C1183-F1187 VanDerWaalsContact O-CB 3.3Å; C1183-F1187 WeakPolarHBondContact O-CB 3.37Å; C1183-F1187 PolarHBondContact O-N 2.87Å |
| 1184 | H | 80.4 | Confident | 78.9 | Confident | 113.4 Ų | 113.4 | 51.3 Ų | 51.3 | 53% | 0.525 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 176.1 | -177.3 | 62.2 | 0 | 0 | 0 | 112.8 | A1180 C1181 K1182 F1187 N1188 | A1180-H1184 VanDerWaalsContact O-CB 3.25Å; A1180-H1184 WeakPolarHBondContact O-CB 3.35Å; A1180-H1184 PolarHBondContact O-N 3.21Å; C1181-H1184 CarbonylContact O-C 3.6Å; C1181-H1184 WeakPolarHBondContact O-CB 3.26Å; C1181-H1184 PolarHBondContact O-N 2.97Å; C1181-H1184 VanDerWaalsContact O-N 3.13Å; K1182-H1184 VanDerWaalsContact C-N 3.32Å; K1182-H1184 PolarHBondContact O-N 2.96Å; H1184-F1187 PolarHBondContact O-N 3.07Å; H1184-N1188 PolarHBondContact CD2-ND2 3.26Å; H1184-N1188 VanDerWaalsContact CD2-ND2 3.34Å; H1184-N1188 PolarHBondContact CE1-ND2 2.99Å; H1184-N1188 VanDerWaalsContact CE1-ND2 3.29Å; H1184-N1188 PolarHBondContact NE2-ND2 3.12Å; H1184-N1188 WeakPolarHBondContact O-CB 3.36Å; H1184-N1188 VanDerWaalsContact O-CG 3.28Å; H1184-N1188 PolarHBondContact O-N 3.11Å; H1184-N1188 VanDerWaalsContact O-N 3.1Å; H1184-N1188 PolarHBondContact O-ND2 3.24Å |
| 1185 | E | 76.6 | Confident | 79.1 | Confident | 118.4 Ų | 118.4 | 49 Ų | 49 | 55% | 0.553 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.6 | -46.9 | 175.5 | -73.4 | 178.3 | 173.3 | 0 | 0 | 111.6 | C1181 K1182 F1187 N1188 I1189 | C1181-E1185 WeakPolarHBondContact O-CB 3.49Å; C1181-E1185 WeakPolarHBondContact O-CG 3.37Å; C1181-E1185 PolarHBondContact O-N 3.17Å; K1182-E1185 PolarHBondContact O-N 3.16Å; E1185-F1187 VanDerWaalsContact C-N 3.35Å; E1185-F1187 PolarHBondContact O-N 3.28Å; E1185-N1188 CarbonylContact O-C 3.49Å; E1185-N1188 WeakPolarHBondContact O-CB 3.41Å; E1185-N1188 PolarHBondContact O-N 2.95Å; E1185-I1189 WeakPolarHBondContact O-CB 3.31Å; E1185-I1189 VanDerWaalsContact O-CG1 3.31Å; E1185-I1189 WeakPolarHBondContact O-CG1 3.21Å; E1185-I1189 PolarHBondContact O-N 3.22Å |
| 1186 | N | 75.8 | Confident | 79.5 | Confident | 48.4 Ų | 48.4 | 47.1 Ų | 47.1 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 177.3 | -72.3 | -12.6 | 0 | 0 | 0 | 111.5 | E894 F898 K1182 N1188 I1189 V1190 | E894-N1186 HydrophobicContact CG-CB 4.46Å; E894-N1186 WeakPolarHBondContact OE1-CB 3.17Å; E894-N1186 PolarHBondContact OE1-ND2 3.15Å; F898-N1186 HydrophobicContact CD2-CB 4.38Å; F898-N1186 HydrophobicContact CE2-CB 4Å; K1182-N1186 VanDerWaalsContact O-CB 3.28Å; K1182-N1186 WeakPolarHBondContact O-CB 3.3Å; K1182-N1186 VanDerWaalsContact O-CG 3.26Å; K1182-N1186 PolarHBondContact O-N 3.23Å; K1182-N1186 PolarHBondContact O-ND2 3.18Å; N1186-N1188 VanDerWaalsContact C-N 3.35Å; N1186-N1188 PolarHBondContact O-N 3.27Å; N1186-I1189 PolarHBondContact O-N 3Å; N1186-I1189 VanDerWaalsContact O-N 3.17Å; N1186-V1190 WeakPolarHBondContact O-CB 3.2Å; N1186-V1190 VanDerWaalsContact O-CG2 3.25Å; N1186-V1190 WeakPolarHBondContact O-CG2 3.41Å; N1186-V1190 PolarHBondContact O-N 3.04Å |
| 1187 | F | 77.8 | Confident | 79.4 | Confident | 60.4 Ų | 60.4 | 45.6 Ų | 45.6 | 27% | 0.265 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.2 | -50.1 | 171.3 | 179.3 | -97.3 | 0 | 0 | 0 | 111.3 | F897 F898 L902 C1183 H1184 E1185 I1189 V1190 E1191 | F897-F1187 HydrophobicContact CE1-CD2 4.31Å; F897-F1187 AromaticContact CE1-CE2 3.88Å; F897-F1187 HydrophobicContact CE1-CE2 4.1Å; F898-F1187 HydrophobicContact CB-CD2 4.45Å; F898-F1187 HydrophobicContact CD1-CB 4.29Å; F898-F1187 AromaticContact CD1-CD2 3.71Å; F898-F1187 HydrophobicContact CD1-CD2 3.71Å; F898-F1187 HydrophobicContact CD1-CE2 4.24Å; F898-F1187 HydrophobicContact CD1-CG 4.32Å; F898-F1187 HydrophobicContact CD2-CD2 4.29Å; F898-F1187 HydrophobicContact CE1-CB 3.56Å; F898-F1187 VanDerWaalsContact CE1-CB 3.49Å; F898-F1187 AromaticContact CE1-CD2 3.38Å; F898-F1187 HydrophobicContact CE1-CD2 3.59Å; F898-F1187 HydrophobicContact CE1-CE2 4.41Å; F898-F1187 AromaticContact CE1-CG 3.85Å; F898-F1187 HydrophobicContact CE1-CG 3.92Å; F898-F1187 HydrophobicContact CE2-CB 4.27Å; F898-F1187 AromaticContact CG-CD2 3.97Å; F898-F1187 HydrophobicContact CG-CD2 3.97Å; F898-F1187 HydrophobicContact CG-CE2 4.48Å; F898-F1187 HydrophobicContact CZ-CB 3.59Å; F898-F1187 HydrophobicContact CZ-CD2 4.3Å; F898-F1187 HydrophobicContact CZ-CG 4.34Å; L902-F1187 HydrophobicContact CD1-CD2 4.09Å; L902-F1187 HydrophobicContact CD1-CE2 3.83Å; L902-F1187 HydrophobicContact CD1-CZ 3.96Å; L902-F1187 HydrophobicContact CD2-CE2 3.98Å; L902-F1187 HydrophobicContact CD2-CZ 4.09Å; L902-F1187 HydrophobicContact CG-CE2 4.27Å; C1183-F1187 VanDerWaalsContact O-CB 3.3Å; C1183-F1187 WeakPolarHBondContact O-CB 3.37Å; C1183-F1187 PolarHBondContact O-N 2.87Å; H1184-F1187 PolarHBondContact O-N 3.07Å; E1185-F1187 VanDerWaalsContact C-N 3.35Å; E1185-F1187 PolarHBondContact O-N 3.28Å; F1187-I1189 VanDerWaalsContact C-N 3.3Å; F1187-I1189 PolarHBondContact O-N 2.96Å; F1187-V1190 PolarHBondContact O-N 3.14Å; F1187-E1191 HydrophobicContact CE1-CB 4.42Å; F1187-E1191 WeakPolarHBondContact CE1-OE2 3.42Å; F1187-E1191 VanDerWaalsContact O-CB 3.24Å; F1187-E1191 WeakPolarHBondContact O-CB 3.32Å; F1187-E1191 PolarHBondContact O-N 2.98Å |
| 1188 | N | 78.6 | Confident | 79.2 | Confident | 48.6 Ų | 48.6 | 41 Ų | 41 | 26% | 0.26 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -36.3 | 179.2 | -71 | -30.8 | 0 | 0 | 0 | 112.2 | H1184 E1185 N1186 K1192 | H1184-N1188 PolarHBondContact CD2-ND2 3.26Å; H1184-N1188 VanDerWaalsContact CD2-ND2 3.34Å; H1184-N1188 PolarHBondContact CE1-ND2 2.99Å; H1184-N1188 VanDerWaalsContact CE1-ND2 3.29Å; H1184-N1188 PolarHBondContact NE2-ND2 3.12Å; H1184-N1188 WeakPolarHBondContact O-CB 3.36Å; H1184-N1188 VanDerWaalsContact O-CG 3.28Å; H1184-N1188 PolarHBondContact O-N 3.11Å; H1184-N1188 VanDerWaalsContact O-N 3.1Å; H1184-N1188 PolarHBondContact O-ND2 3.24Å; E1185-N1188 CarbonylContact O-C 3.49Å; E1185-N1188 WeakPolarHBondContact O-CB 3.41Å; E1185-N1188 PolarHBondContact O-N 2.95Å; N1186-N1188 VanDerWaalsContact C-N 3.35Å; N1186-N1188 PolarHBondContact O-N 3.27Å; N1188-K1192 WeakPolarHBondContact O-CB 3.3Å; N1188-K1192 WeakPolarHBondContact O-CD 3.31Å; N1188-K1192 VanDerWaalsContact O-CG 3.23Å; N1188-K1192 WeakPolarHBondContact O-CG 3.35Å; N1188-K1192 PolarHBondContact O-N 3.11Å; N1188-K1192 VanDerWaalsContact O-N 3.16Å |
| 1189 | I | 78.6 | Confident | 79.5 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.9 | -49.8 | 176 | -72.6 | 165.4 | 0 | 0 | 0 | 110.5 | E1185 N1186 F1187 E1191 K1192 L1193 L1272 | E1185-I1189 WeakPolarHBondContact O-CB 3.31Å; E1185-I1189 VanDerWaalsContact O-CG1 3.31Å; E1185-I1189 WeakPolarHBondContact O-CG1 3.21Å; E1185-I1189 PolarHBondContact O-N 3.22Å; N1186-I1189 PolarHBondContact O-N 3Å; N1186-I1189 VanDerWaalsContact O-N 3.17Å; F1187-I1189 VanDerWaalsContact C-N 3.3Å; F1187-I1189 PolarHBondContact O-N 2.96Å; I1189-E1191 VanDerWaalsContact C-N 3.33Å; I1189-E1191 PolarHBondContact O-N 3.15Å; I1189-K1192 WeakPolarHBondContact O-CB 3.28Å; I1189-K1192 PolarHBondContact O-N 2.95Å; I1189-L1193 HydrophobicContact CG2-CD1 3.83Å; I1189-L1193 HydrophobicContact CG2-CG 4.33Å; I1189-L1193 WeakPolarHBondContact O-CB 3.18Å; I1189-L1193 WeakPolarHBondContact O-CG 3.4Å; I1189-L1193 PolarHBondContact O-N 2.89Å; I1189-L1272 HydrophobicContact CB-CD1 4.4Å; I1189-L1272 HydrophobicContact CG1-CD1 4.23Å; I1189-L1272 HydrophobicContact CG2-CD1 4.04Å |
| 1190 | V | 76.8 | Confident | 79.9 | Confident | 6.6 Ų | 6.6 | 36.3 Ų | 36.3 | 4% | 0.04 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | F898 Y899 L902 N1186 F1187 K1192 L1193 V1194 V1259 | F898-V1190 HydrophobicContact CB-CB 4.18Å; F898-V1190 HydrophobicContact CB-CG1 4.16Å; F898-V1190 HydrophobicContact CB-CG2 4.14Å; F898-V1190 HydrophobicContact CD2-CG2 4.02Å; F898-V1190 HydrophobicContact CG-CG2 4.21Å; Y899-V1190 HydrophobicContact CD1-CG1 4.14Å; Y899-V1190 HydrophobicContact CE1-CB 4.46Å; Y899-V1190 HydrophobicContact CE1-CG1 3.94Å; Y899-V1190 HydrophobicContact CE1-CG2 3.71Å; L902-V1190 HydrophobicContact CD1-CB 4.1Å; L902-V1190 HydrophobicContact CD1-CG1 3.7Å; L902-V1190 HydrophobicContact CD2-CG1 3.97Å; N1186-V1190 WeakPolarHBondContact O-CB 3.2Å; N1186-V1190 VanDerWaalsContact O-CG2 3.25Å; N1186-V1190 WeakPolarHBondContact O-CG2 3.41Å; N1186-V1190 PolarHBondContact O-N 3.04Å; F1187-V1190 PolarHBondContact O-N 3.14Å; V1190-K1192 VanDerWaalsContact C-N 3.32Å; V1190-K1192 PolarHBondContact O-N 3.19Å; V1190-L1193 PolarHBondContact O-N 2.99Å; V1190-V1194 HydrophobicContact CG1-CG2 4.22Å; V1190-V1194 WeakPolarHBondContact O-CB 3.46Å; V1190-V1194 VanDerWaalsContact O-CG2 3.27Å; V1190-V1194 WeakPolarHBondContact O-CG2 3.4Å; V1190-V1194 PolarHBondContact O-N 2.95Å; V1190-V1259 HydrophobicContact CG1-CG2 4.37Å; V1190-V1259 HydrophobicContact CG2-CB 4.35Å; V1190-V1259 HydrophobicContact CG2-CG1 3.91Å; V1190-V1259 HydrophobicContact CG2-CG2 3.78Å |
| 1191 | E | 78.7 | Confident | 79.8 | Confident | 33.4 Ų | 33.4 | 36.4 Ų | 36.4 | 16% | 0.156 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.6 | -45.1 | 174.6 | 174.6 | 169.2 | -147.9 | 0 | 0 | 111.6 | L902 L907 Q911 F1187 I1189 L1195 R1450 | L902-E1191 HydrophobicContact CD1-CB 4.38Å; L902-E1191 HydrophobicContact CD2-CB 4.23Å; L902-E1191 HydrophobicContact CD2-CG 4.21Å; L907-E1191 HydrophobicContact CD1-CB 4.09Å; L907-E1191 HydrophobicContact CD1-CG 3.76Å; L907-E1191 VanDerWaalsContact CD1-CG 3.44Å; L907-E1191 VanDerWaalsContact CD1-OE1 3.32Å; L907-E1191 WeakPolarHBondContact CD1-OE1 3.27Å; L907-E1191 HydrophobicContact CD2-CG 3.99Å; L907-E1191 VanDerWaalsContact CD2-OE1 3.26Å; L907-E1191 WeakPolarHBondContact CD2-OE1 3.25Å; L907-E1191 HydrophobicContact CG-CG 4.41Å; L907-E1191 WeakPolarHBondContact CG-OE1 3.2Å; Q911-E1191 PolarHBondContact NE2-OE1 3.45Å; F1187-E1191 HydrophobicContact CE1-CB 4.42Å; F1187-E1191 WeakPolarHBondContact CE1-OE2 3.42Å; F1187-E1191 VanDerWaalsContact O-CB 3.24Å; F1187-E1191 WeakPolarHBondContact O-CB 3.32Å; F1187-E1191 PolarHBondContact O-N 2.98Å; I1189-E1191 VanDerWaalsContact C-N 3.33Å; I1189-E1191 PolarHBondContact O-N 3.15Å; E1191-L1195 VanDerWaalsContact O-CB 3.28Å; E1191-L1195 WeakPolarHBondContact O-CB 3.32Å; E1191-L1195 PolarHBondContact O-N 3.03Å; E1191-L1195 VanDerWaalsContact O-N 3.1Å; E1191-R1450 IonicContact OE1-CZ 3.11Å; E1191-R1450 IonicContact OE1-NH1 3.25Å; E1191-R1450 PolarHBondContact OE1-NH1 3.15Å; E1191-R1450 IonicContact OE1-NH2 2.86Å; E1191-R1450 PolarHBondContact OE1-NH2 3.31Å; E1191-R1450 IonicContact OE2-NH1 2.86Å; E1191-R1450 PolarHBondContact OE2-NH1 3.39Å |
| 1192 | K | 82.7 | Confident | 79.8 | Confident | 33.2 Ų | 33.2 | 33.6 Ų | 33.6 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 175.7 | -73.5 | 173.6 | -171.2 | -177 | 0 | 112.4 | N1188 I1189 V1190 L1195 I1196 L1272 N1273 I1276 | N1188-K1192 WeakPolarHBondContact O-CB 3.3Å; N1188-K1192 WeakPolarHBondContact O-CD 3.31Å; N1188-K1192 VanDerWaalsContact O-CG 3.23Å; N1188-K1192 WeakPolarHBondContact O-CG 3.35Å; N1188-K1192 PolarHBondContact O-N 3.11Å; N1188-K1192 VanDerWaalsContact O-N 3.16Å; I1189-K1192 WeakPolarHBondContact O-CB 3.28Å; I1189-K1192 PolarHBondContact O-N 2.95Å; V1190-K1192 VanDerWaalsContact C-N 3.32Å; V1190-K1192 PolarHBondContact O-N 3.19Å; K1192-L1195 PolarHBondContact O-N 3.23Å; K1192-I1196 WeakPolarHBondContact O-CB 3.41Å; K1192-I1196 WeakPolarHBondContact O-CD1 3.4Å; K1192-I1196 WeakPolarHBondContact O-CG1 3.4Å; K1192-I1196 PolarHBondContact O-N 3Å; K1192-L1272 HydrophobicContact CB-CB 4.47Å; K1192-L1272 HydrophobicContact CB-CD1 4.32Å; K1192-L1272 HydrophobicContact CD-CB 4.24Å; K1192-L1272 HydrophobicContact CD-CD1 4.43Å; K1192-N1273 WeakPolarHBondContact CE-OD1 3.43Å; K1192-N1273 PolarHBondContact NZ-OD1 3.16Å; K1192-I1276 HydrophobicContact CB-CD1 3.92Å; K1192-I1276 HydrophobicContact CD-CD1 4.21Å; K1192-I1276 HydrophobicContact CG-CD1 3.69Å |
| 1193 | L | 79.9 | Confident | 79.9 | Confident | 6.8 Ų | 6.8 | 30.2 Ų | 30.2 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | 178.8 | -74.2 | 169.9 | 0 | 0 | 0 | 112.1 | I1189 V1190 L1195 I1196 S1197 V1255 I1258 V1259 I1261 W1266 L1272 W1613 | I1189-L1193 HydrophobicContact CG2-CD1 3.83Å; I1189-L1193 HydrophobicContact CG2-CG 4.33Å; I1189-L1193 WeakPolarHBondContact O-CB 3.18Å; I1189-L1193 WeakPolarHBondContact O-CG 3.4Å; I1189-L1193 PolarHBondContact O-N 2.89Å; V1190-L1193 PolarHBondContact O-N 2.99Å; L1193-L1195 VanDerWaalsContact C-N 3.32Å; L1193-L1195 PolarHBondContact O-N 3.18Å; L1193-I1196 PolarHBondContact O-N 3.22Å; L1193-S1197 PolarHBondContact O-N 3.23Å; L1193-S1197 PolarHBondContact O-OG 2.93Å; L1193-V1255 HydrophobicContact CB-CG1 4.41Å; L1193-I1258 HydrophobicContact CB-CG2 3.65Å; L1193-I1258 HydrophobicContact CD1-CG2 4.26Å; L1193-I1258 HydrophobicContact CD2-CG2 4.36Å; L1193-V1259 HydrophobicContact CD1-CG2 3.82Å; L1193-I1261 HydrophobicContact CD1-CG2 4.3Å; L1193-I1261 HydrophobicContact CD2-CG2 4.26Å; L1193-W1266 HydrophobicContact CD2-CB 4.39Å; L1193-W1266 HydrophobicContact CD2-CD2 4.31Å; L1193-W1266 HydrophobicContact CD2-CE3 3.61Å; L1193-W1266 HydrophobicContact CD2-CZ3 4.19Å; L1193-L1272 HydrophobicContact CD2-CD2 3.68Å; L1193-L1272 HydrophobicContact CG-CD2 4.26Å; L1193-W1613 HydrophobicContact CD2-CH2 4.37Å |
| 1194 | V | 78 | Confident | 79.5 | Confident | 7.4 Ų | 7.4 | 35.6 Ų | 35.6 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | L902 L907 V1190 I1196 S1197 L1198 V1255 I1258 | L902-V1194 HydrophobicContact CB-CG2 4.23Å; L902-V1194 HydrophobicContact CD2-CG2 4.14Å; L907-V1194 HydrophobicContact CD1-CB 3.99Å; L907-V1194 HydrophobicContact CD1-CG1 3.71Å; L907-V1194 HydrophobicContact CD2-CB 4.36Å; L907-V1194 HydrophobicContact CD2-CG1 4.18Å; V1190-V1194 HydrophobicContact CG1-CG2 4.22Å; V1190-V1194 WeakPolarHBondContact O-CB 3.46Å; V1190-V1194 VanDerWaalsContact O-CG2 3.27Å; V1190-V1194 WeakPolarHBondContact O-CG2 3.4Å; V1190-V1194 PolarHBondContact O-N 2.95Å; V1194-I1196 PolarHBondContact O-N 3.28Å; V1194-S1197 WeakPolarHBondContact CA-OG 3.5Å; V1194-S1197 PolarHBondContact O-N 2.94Å; V1194-S1197 PolarHBondContact O-OG 3.16Å; V1194-L1198 HydrophobicContact CG1-CD1 3.87Å; V1194-L1198 HydrophobicContact CG1-CG 4.49Å; V1194-L1198 WeakPolarHBondContact O-CB 3.4Å; V1194-L1198 VanDerWaalsContact O-CD1 3.28Å; V1194-L1198 WeakPolarHBondContact O-CD1 3.27Å; V1194-L1198 VanDerWaalsContact O-CG 3.28Å; V1194-L1198 WeakPolarHBondContact O-CG 3.38Å; V1194-L1198 PolarHBondContact O-N 2.97Å; V1194-L1198 VanDerWaalsContact O-N 3.14Å; V1194-V1255 HydrophobicContact CG2-CG1 4.17Å; V1194-V1255 HydrophobicContact CG2-CG2 4.44Å; V1194-I1258 HydrophobicContact CG2-CD1 4.26Å |
| 1195 | L | 82.4 | Confident | 78.9 | Confident | 11.4 Ų | 11.4 | 31.2 Ų | 31.2 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 176 | 179.3 | 64.7 | 0 | 0 | 0 | 112.6 | L907 E1191 K1192 L1193 S1197 L1198 M1199 I1276 F1446 | L907-L1195 HydrophobicContact CD2-CB 4.19Å; E1191-L1195 VanDerWaalsContact O-CB 3.28Å; E1191-L1195 WeakPolarHBondContact O-CB 3.32Å; E1191-L1195 PolarHBondContact O-N 3.03Å; E1191-L1195 VanDerWaalsContact O-N 3.1Å; K1192-L1195 PolarHBondContact O-N 3.23Å; L1193-L1195 VanDerWaalsContact C-N 3.32Å; L1193-L1195 PolarHBondContact O-N 3.18Å; L1195-S1197 VanDerWaalsContact C-N 3.35Å; L1195-S1197 PolarHBondContact O-N 2.95Å; L1195-L1198 PolarHBondContact O-N 2.95Å; L1195-M1199 HydrophobicContact CD1-CG 4.14Å; L1195-M1199 HydrophobicContact CD1-SD 3.85Å; L1195-M1199 HydrophobicContact CD2-SD 4.45Å; L1195-M1199 HydrophobicContact CG-CG 4.45Å; L1195-M1199 HydrophobicContact CG-SD 3.86Å; L1195-M1199 VanDerWaalsContact O-CB 3.31Å; L1195-M1199 WeakPolarHBondContact O-CB 3.39Å; L1195-M1199 VanDerWaalsContact O-CG 3.29Å; L1195-M1199 WeakPolarHBondContact O-CG 3.35Å; L1195-M1199 PolarHBondContact O-N 3.13Å; L1195-I1276 HydrophobicContact CD2-CD1 4.32Å; L1195-F1446 HydrophobicContact CD1-CE2 4.45Å; L1195-F1446 HydrophobicContact CD1-CZ 4.04Å; L1195-F1446 HydrophobicContact CD2-CE1 4.28Å; L1195-F1446 HydrophobicContact CD2-CZ 3.75Å; L1195-F1446 HydrophobicContact CG-CZ 4.43Å |
| 1196 | I | 85 | Confident | 78 | Confident | 5.6 Ų | 5.6 | 30.4 Ų | 30.4 | 3% | 0.029 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 178 | -73.7 | 164.5 | 0 | 0 | 0 | 110.7 | K1192 L1193 V1194 L1198 M1199 A1200 W1266 L1272 I1275 I1276 L1279 W1613 A1617 | K1192-I1196 WeakPolarHBondContact O-CB 3.41Å; K1192-I1196 WeakPolarHBondContact O-CD1 3.4Å; K1192-I1196 WeakPolarHBondContact O-CG1 3.4Å; K1192-I1196 PolarHBondContact O-N 3Å; L1193-I1196 PolarHBondContact O-N 3.22Å; V1194-I1196 PolarHBondContact O-N 3.28Å; I1196-L1198 PolarHBondContact O-N 2.78Å; I1196-M1199 PolarHBondContact O-N 2.92Å; I1196-A1200 VanDerWaalsContact O-CB 3.27Å; I1196-A1200 WeakPolarHBondContact O-CB 3.41Å; I1196-A1200 PolarHBondContact O-N 2.97Å; I1196-W1266 HydrophobicContact CG2-CZ3 4.34Å; I1196-L1272 HydrophobicContact CD1-CB 4.37Å; I1196-L1272 HydrophobicContact CD1-CD2 3.78Å; I1196-I1275 HydrophobicContact CB-CG2 4.47Å; I1196-I1275 HydrophobicContact CD1-CB 4.1Å; I1196-I1275 HydrophobicContact CD1-CG2 3.87Å; I1196-I1275 HydrophobicContact CG1-CG2 3.92Å; I1196-I1275 HydrophobicContact CG2-CG2 3.76Å; I1196-I1276 HydrophobicContact CD1-CD1 4.35Å; I1196-I1276 HydrophobicContact CD1-CG1 3.95Å; I1196-I1276 HydrophobicContact CG1-CD1 4.33Å; I1196-I1276 HydrophobicContact CG1-CG1 3.65Å; I1196-L1279 HydrophobicContact CB-CD1 4.39Å; I1196-L1279 HydrophobicContact CG1-CD1 4.37Å; I1196-L1279 HydrophobicContact CG2-CD1 4.02Å; I1196-W1613 HydrophobicContact CG2-CE3 4.1Å; I1196-W1613 HydrophobicContact CG2-CZ3 3.84Å; I1196-A1617 HydrophobicContact CG2-CB 4.13Å |
| 1197 | S | 80.4 | Confident | 77.1 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 179.8 | 62.1 | 0 | 0 | 0 | 0 | 112 | L1193 V1194 L1195 M1199 A1200 D1201 | L1193-S1197 PolarHBondContact O-N 3.23Å; L1193-S1197 PolarHBondContact O-OG 2.93Å; V1194-S1197 WeakPolarHBondContact CA-OG 3.5Å; V1194-S1197 PolarHBondContact O-N 2.94Å; V1194-S1197 PolarHBondContact O-OG 3.16Å; L1195-S1197 VanDerWaalsContact C-N 3.35Å; L1195-S1197 PolarHBondContact O-N 2.95Å; S1197-M1199 PolarHBondContact O-N 3.26Å; S1197-A1200 PolarHBondContact O-N 3.11Å; S1197-D1201 VanDerWaalsContact O-CB 3.27Å; S1197-D1201 WeakPolarHBondContact O-CB 3.38Å; S1197-D1201 PolarHBondContact O-N 3.09Å |
| 1198 | L | 79.5 | Confident | 76.2 | Confident | 5.6 Ų | 5.6 | 31.4 Ų | 31.4 | 3% | 0.029 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.1 | -67.9 | 163.7 | 0 | 0 | 0 | 111.9 | G904 L908 V1194 L1195 I1196 A1200 A1202 Y1250 | G904-L1198 VanDerWaalsContact CA-CD1 3.49Å; L908-L1198 HydrophobicContact CD1-CD1 4.15Å; L908-L1198 HydrophobicContact CG-CD1 4.43Å; V1194-L1198 HydrophobicContact CG1-CD1 3.87Å; V1194-L1198 HydrophobicContact CG1-CG 4.49Å; V1194-L1198 WeakPolarHBondContact O-CB 3.4Å; V1194-L1198 VanDerWaalsContact O-CD1 3.28Å; V1194-L1198 WeakPolarHBondContact O-CD1 3.27Å; V1194-L1198 VanDerWaalsContact O-CG 3.28Å; V1194-L1198 WeakPolarHBondContact O-CG 3.38Å; V1194-L1198 PolarHBondContact O-N 2.97Å; V1194-L1198 VanDerWaalsContact O-N 3.14Å; L1195-L1198 PolarHBondContact O-N 2.95Å; I1196-L1198 PolarHBondContact O-N 2.78Å; L1198-A1200 VanDerWaalsContact C-N 3.31Å; L1198-A1200 PolarHBondContact O-N 3.06Å; L1198-A1202 VanDerWaalsContact O-CB 3.25Å; L1198-A1202 WeakPolarHBondContact O-CB 3.29Å; L1198-A1202 PolarHBondContact O-N 3Å; L1198-A1202 VanDerWaalsContact O-N 3.12Å; L1198-Y1250 HydrophobicContact CD2-CE2 4.5Å |
| 1199 | M | 85.4 | Confident | 75.1 | Confident | 0.2 Ų | 0.2 | 35.6 Ų | 35.6 | 0% | 0.001 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 178.6 | -75.1 | -178.9 | 71.5 | 0 | 0 | 112.5 | L1195 I1196 S1197 M1203 L1234 L1238 L1279 L1280 W1283 F1446 | L1195-M1199 HydrophobicContact CD1-CG 4.14Å; L1195-M1199 HydrophobicContact CD1-SD 3.85Å; L1195-M1199 HydrophobicContact CD2-SD 4.45Å; L1195-M1199 HydrophobicContact CG-CG 4.45Å; L1195-M1199 HydrophobicContact CG-SD 3.86Å; L1195-M1199 VanDerWaalsContact O-CB 3.31Å; L1195-M1199 WeakPolarHBondContact O-CB 3.39Å; L1195-M1199 VanDerWaalsContact O-CG 3.29Å; L1195-M1199 WeakPolarHBondContact O-CG 3.35Å; L1195-M1199 PolarHBondContact O-N 3.13Å; I1196-M1199 PolarHBondContact O-N 2.92Å; S1197-M1199 PolarHBondContact O-N 3.26Å; M1199-M1203 WeakPolarHBondContact O-CE 3.38Å; M1199-M1203 VanDerWaalsContact O-CG 3.27Å; M1199-M1203 WeakPolarHBondContact O-CG 3.22Å; M1199-M1203 PolarHBondContact O-N 3.4Å; M1199-L1234 HydrophobicContact CE-CD2 4.25Å; M1199-L1238 HydrophobicContact CG-CD1 3.94Å; M1199-L1238 HydrophobicContact CG-CD2 4.44Å; M1199-L1279 HydrophobicContact CB-CD1 4.09Å; M1199-L1279 HydrophobicContact CE-CB 3.92Å; M1199-L1280 HydrophobicContact CE-CD2 3.69Å; M1199-L1280 HydrophobicContact CE-CG 3.96Å; M1199-W1283 VanDerWaalsContact CE-CD1 3.43Å; M1199-W1283 HydrophobicContact CE-CG 4.07Å; M1199-W1283 WeakPolarHBondContact O-CZ2 3.28Å; M1199-W1283 PolarHBondContact O-NE1 2.89Å; M1199-F1446 HydrophobicContact SD-CZ 4.39Å |
| 1200 | A | 84.7 | Confident | 73.8 | Confident | 13.6 Ų | 13.6 | 37.7 Ų | 37.7 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I1196 S1197 L1198 A1202 M1203 L1279 W1613 R1616 | I1196-A1200 VanDerWaalsContact O-CB 3.27Å; I1196-A1200 WeakPolarHBondContact O-CB 3.41Å; I1196-A1200 PolarHBondContact O-N 2.97Å; S1197-A1200 PolarHBondContact O-N 3.11Å; L1198-A1200 VanDerWaalsContact C-N 3.31Å; L1198-A1200 PolarHBondContact O-N 3.06Å; A1200-A1202 PolarHBondContact O-N 3.43Å; A1200-M1203 WeakPolarHBondContact O-CB 3.32Å; A1200-M1203 PolarHBondContact O-N 2.99Å; A1200-L1279 HydrophobicContact CB-CD2 4.44Å; A1200-W1613 HydrophobicContact CB-CB 3.87Å; A1200-R1616 WeakPolarHBondContact O-CD 3.4Å; A1200-R1616 PolarHBondContact O-NH1 3.21Å |
| 1201 | D | 79.5 | Confident | 72.7 | Confident | 42.4 Ų | 42.4 | 41.3 Ų | 41.3 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.1 | -40.6 | -179.2 | -76.8 | -18.8 | 0 | 0 | 0 | 112.8 | S1197 M1203 Y1241 R1253 K1254 W1613 | S1197-D1201 VanDerWaalsContact O-CB 3.27Å; S1197-D1201 WeakPolarHBondContact O-CB 3.38Å; S1197-D1201 PolarHBondContact O-N 3.09Å; D1201-M1203 VanDerWaalsContact C-N 3.26Å; D1201-M1203 PolarHBondContact O-N 3.11Å; D1201-M1203 VanDerWaalsContact O-N 3.14Å; D1201-Y1241 HydrophobicContact CB-CE1 4.31Å; D1201-Y1241 VanDerWaalsContact CB-OH 3.28Å; D1201-Y1241 WeakPolarHBondContact CB-OH 3.41Å; D1201-Y1241 PolarHBondContact O-OH 3.41Å; D1201-R1253 VanDerWaalsContact CB-NH1 3.29Å; D1201-R1253 IonicContact OD2-CZ 3.5Å; D1201-R1253 IonicContact OD2-NE 2.81Å; D1201-R1253 PolarHBondContact OD2-NE 2.78Å; D1201-R1253 IonicContact OD2-NH1 3.21Å; D1201-R1253 PolarHBondContact OD2-NH1 3.17Å; D1201-R1253 IonicContact OD2-NH2 3.14Å; D1201-R1253 PolarHBondContact OD2-NH2 3.15Å; D1201-R1253 VanDerWaalsContact OD2-NH2 3.16Å; D1201-K1254 WeakPolarHBondContact OD2-CD 3.28Å; D1201-K1254 WeakPolarHBondContact OD2-CE 3.33Å; D1201-K1254 IonicContact OD2-NZ 3.38Å; D1201-K1254 PolarHBondContact OD2-NZ 3.43Å; D1201-W1613 WeakPolarHBondContact OD1-CB 3.35Å |
| 1202 | A | 80.5 | Confident | 71.4 | Confident | 0.2 Ų | 0.2 | 47.4 Ų | 47.4 | 0% | 0.002 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -69.6 | -19.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1198 A1200 D1204 S1205 L1208 L1238 Y1241 W1283 | L1198-A1202 VanDerWaalsContact O-CB 3.25Å; L1198-A1202 WeakPolarHBondContact O-CB 3.29Å; L1198-A1202 PolarHBondContact O-N 3Å; L1198-A1202 VanDerWaalsContact O-N 3.12Å; A1200-A1202 PolarHBondContact O-N 3.43Å; A1202-D1204 VanDerWaalsContact C-N 3.33Å; A1202-D1204 PolarHBondContact O-N 3Å; A1202-S1205 WeakPolarHBondContact O-CB 3.37Å; A1202-S1205 PolarHBondContact O-N 3.09Å; A1202-S1205 VanDerWaalsContact O-N 3.09Å; A1202-S1205 PolarHBondContact O-OG 3.12Å; A1202-L1208 WeakPolarHBondContact O-CD1 3.44Å; A1202-L1238 HydrophobicContact CB-CD2 3.73Å; A1202-Y1241 HydrophobicContact CB-CD1 3.7Å; A1202-Y1241 HydrophobicContact CB-CD2 3.89Å; A1202-Y1241 HydrophobicContact CB-CE1 4.12Å; A1202-Y1241 HydrophobicContact CB-CE2 4.24Å; A1202-Y1241 HydrophobicContact CB-CG 3.57Å; A1202-W1283 HydrophobicContact CB-CH2 3.96Å; A1202-W1283 HydrophobicContact CB-CZ2 3.86Å |
| 1203 | M | 77.9 | Confident | 70.2 | Confident | 23.6 Ų | 23.6 | 54.7 Ų | 54.7 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -63 | -31.3 | -176.8 | -75.2 | -179.5 | -34.9 | 0 | 0 | 114.3 | M1199 A1200 D1201 S1205 L1279 H1282 W1283 I1286 I1620 | M1199-M1203 WeakPolarHBondContact O-CE 3.38Å; M1199-M1203 VanDerWaalsContact O-CG 3.27Å; M1199-M1203 WeakPolarHBondContact O-CG 3.22Å; M1199-M1203 PolarHBondContact O-N 3.4Å; A1200-M1203 WeakPolarHBondContact O-CB 3.32Å; A1200-M1203 PolarHBondContact O-N 2.99Å; D1201-M1203 VanDerWaalsContact C-N 3.26Å; D1201-M1203 PolarHBondContact O-N 3.11Å; D1201-M1203 VanDerWaalsContact O-N 3.14Å; M1203-S1205 VanDerWaalsContact C-N 3.33Å; M1203-S1205 PolarHBondContact O-N 3.47Å; M1203-L1279 HydrophobicContact CE-CD2 4.03Å; M1203-L1279 HydrophobicContact SD-CD2 4.13Å; M1203-H1282 WeakPolarHBondContact CE-CD2 3.4Å; M1203-H1282 HydrophobicContact SD-CB 4.41Å; M1203-W1283 HydrophobicContact CB-CZ2 4.41Å; M1203-W1283 HydrophobicContact CG-CD2 4.31Å; M1203-W1283 VanDerWaalsContact CG-CE2 3.46Å; M1203-W1283 HydrophobicContact CG-CH2 4.32Å; M1203-W1283 HydrophobicContact CG-CZ2 3.54Å; M1203-W1283 VanDerWaalsContact CG-CZ2 3.45Å; M1203-I1286 HydrophobicContact CB-CD1 3.95Å; M1203-I1286 HydrophobicContact CG-CD1 3.58Å; M1203-I1286 VanDerWaalsContact CG-CD1 3.49Å; M1203-I1286 HydrophobicContact SD-CD1 3.95Å; M1203-I1620 HydrophobicContact CE-CD1 3.67Å |
| 1204 | D | 70.2 | Confident | 69.4 | Low | 127 Ų | 127 | 56.5 Ų | 56.5 | 68% | 0.679 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -89.4 | -1.3 | 179.1 | -71.8 | -16 | 0 | 0 | 0 | 113.2 | A1202 S1206 R1616 | A1202-D1204 VanDerWaalsContact C-N 3.33Å; A1202-D1204 PolarHBondContact O-N 3Å; D1204-S1206 PolarHBondContact O-N 3.34Å; D1204-S1206 VanDerWaalsContact O-N 3.14Å; D1204-R1616 VanDerWaalsContact CG-NH2 3.29Å; D1204-R1616 IonicContact OD1-CZ 3.12Å; D1204-R1616 IonicContact OD1-NH1 3.41Å; D1204-R1616 PolarHBondContact OD1-NH1 3.09Å; D1204-R1616 VanDerWaalsContact OD1-NH1 3.15Å; D1204-R1616 IonicContact OD1-NH2 2.81Å; D1204-R1616 PolarHBondContact OD1-NH2 2.86Å; D1204-R1616 IonicContact OD2-CZ 2.61Å; D1204-R1616 VanDerWaalsContact OD2-CZ 3.27Å; D1204-R1616 IonicContact OD2-NH1 3.32Å; D1204-R1616 PolarHBondContact OD2-NH1 3.03Å; D1204-R1616 IonicContact OD2-NH2 2.78Å; D1204-R1616 PolarHBondContact OD2-NH2 3.02Å |
| 1205 | S | 68.2 | Low | 68.6 | Low | 22.2 Ų | 22.2 | 65.4 Ų | 65.4 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | trans | -78.5 | 111.3 | -172.7 | 90.3 | 0 | 0 | 0 | 0 | 111.9 | A1202 M1203 K1207 L1208 Y1241 | A1202-S1205 WeakPolarHBondContact O-CB 3.37Å; A1202-S1205 PolarHBondContact O-N 3.09Å; A1202-S1205 VanDerWaalsContact O-N 3.09Å; A1202-S1205 PolarHBondContact O-OG 3.12Å; M1203-S1205 VanDerWaalsContact C-N 3.33Å; M1203-S1205 PolarHBondContact O-N 3.47Å; S1205-K1207 PolarHBondContact O-N 3.11Å; S1205-K1207 VanDerWaalsContact O-N 3.12Å; S1205-K1207 WeakPolarHBondContact OG-CB 3.36Å; S1205-K1207 PolarHBondContact OG-N 3.02Å; S1205-L1208 WeakPolarHBondContact O-CD1 3.32Å; S1205-L1208 WeakPolarHBondContact O-CG 3.32Å; S1205-L1208 PolarHBondContact O-N 3.24Å; S1205-L1208 VanDerWaalsContact O-N 3.16Å; S1205-Y1241 VanDerWaalsContact OG-CD2 3.31Å; S1205-Y1241 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 1206 | S | 58.1 | Low | 67.7 | Low | 99.8 Ų | 99.8 | 71.3 Ų | 71.3 | 70% | 0.698 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -62 | -3.4 | 174.2 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | D1204 L1208 | D1204-S1206 PolarHBondContact O-N 3.34Å; D1204-S1206 VanDerWaalsContact O-N 3.14Å; S1206-L1208 PolarHBondContact O-N 3.13Å |
| 1207 | K | 56 | Low | 66.7 | Low | 120.6 Ų | 120.6 | 72.6 Ų | 72.6 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -88.5 | -5.2 | -177.9 | -60 | -172.9 | -176.8 | 179.6 | 0 | 114.2 | S1205 Q1209 S1210 A1244 | S1205-K1207 PolarHBondContact O-N 3.11Å; S1205-K1207 VanDerWaalsContact O-N 3.12Å; S1205-K1207 WeakPolarHBondContact OG-CB 3.36Å; S1205-K1207 PolarHBondContact OG-N 3.02Å; K1207-Q1209 PolarHBondContact O-N 3.1Å; K1207-Q1209 VanDerWaalsContact O-N 3.15Å; K1207-S1210 PolarHBondContact O-OG 3.3Å; K1207-A1244 HydrophobicContact CB-CB 4.43Å; K1207-A1244 HydrophobicContact CD-CB 3.83Å; K1207-A1244 PolarHBondContact NZ-O 3.07Å |
| 1208 | L | 59.2 | Low | 65.8 | Low | 9.4 Ų | 9.4 | 80.8 Ų | 80.8 | 5% | 0.049 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -57.5 | -27.6 | 175.9 | -78.5 | 157.5 | 0 | 0 | 0 | 113.4 | A1202 S1205 S1206 S1210 A1237 R1240 W1283 I1286 E1290 | A1202-L1208 WeakPolarHBondContact O-CD1 3.44Å; S1205-L1208 WeakPolarHBondContact O-CD1 3.32Å; S1205-L1208 WeakPolarHBondContact O-CG 3.32Å; S1205-L1208 PolarHBondContact O-N 3.24Å; S1205-L1208 VanDerWaalsContact O-N 3.16Å; S1206-L1208 PolarHBondContact O-N 3.13Å; L1208-S1210 VanDerWaalsContact C-N 3.32Å; L1208-S1210 PolarHBondContact O-N 3.1Å; L1208-A1237 HydrophobicContact CD2-CB 3.75Å; L1208-R1240 PolarHBondContact O-NH1 2.92Å; L1208-W1283 HydrophobicContact CD1-CH2 4.35Å; L1208-W1283 HydrophobicContact CD1-CZ3 4.3Å; L1208-W1283 HydrophobicContact CD2-CH2 4.26Å; L1208-W1283 HydrophobicContact CD2-CZ3 4.22Å; L1208-I1286 HydrophobicContact CD1-CG2 4.41Å; L1208-E1290 WeakPolarHBondContact CB-OE2 3.37Å |
| 1209 | Q | 54.7 | Low | 65 | Low | 136.8 Ų | 136.8 | 87.7 Ų | 87.7 | 64% | 0.639 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -76.6 | -10.1 | -163.8 | -63.4 | -178.7 | -9.1 | 0 | 0 | 115.9 | K1207 T1211 E1290 | K1207-Q1209 PolarHBondContact O-N 3.1Å; K1207-Q1209 VanDerWaalsContact O-N 3.15Å; Q1209-T1211 PolarHBondContact O-N 2.99Å; Q1209-T1211 VanDerWaalsContact O-N 3.16Å; Q1209-E1290 WeakPolarHBondContact CG-OE1 3.29Å; Q1209-E1290 PolarHBondContact NE2-OE1 3.17Å |
| 1210 | S | 52.1 | Low | 64.2 | Low | 73.8 Ų | 73.8 | 92.3 Ų | 92.3 | 52% | 0.516 | 46% | 0.457 | S | S | . | . | trans | -87 | 85.7 | -176.6 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | K1207 L1208 L1212 | K1207-S1210 PolarHBondContact O-OG 3.3Å; L1208-S1210 VanDerWaalsContact C-N 3.32Å; L1208-S1210 PolarHBondContact O-N 3.1Å; S1210-L1212 VanDerWaalsContact C-N 3.32Å; S1210-L1212 PolarHBondContact O-N 3.44Å; S1210-L1212 VanDerWaalsContact O-N 3.1Å | ||
| 1211 | T | 54.1 | Low | 63.3 | Low | 81.4 Ų | 81.4 | 98.2 Ų | 98.2 | 50% | 0.499 | 49% | 0.486 | S | S | . | . | trans | -74.4 | 91.2 | 161.9 | 55 | 0 | 0 | 0 | 0 | 109.8 | Q1209 K1213 L1292 | Q1209-T1211 PolarHBondContact O-N 2.99Å; Q1209-T1211 VanDerWaalsContact O-N 3.16Å; T1211-K1213 VanDerWaalsContact C-N 3.33Å; T1211-K1213 PolarHBondContact O-N 3.26Å; T1211-L1292 HydrophobicContact CG2-CD2 4.14Å | ||
| 1212 | L | 51.8 | Low | 62.8 | Low | 161.6 Ų | 161.6 | 98.3 Ų | 98.3 | 85% | 0.846 | 49% | 0.487 | S | S | * | . | trans | -59.7 | 103 | 166 | -96.9 | 151 | 0 | 0 | 0 | 108.9 | S1210 S1214 | S1210-L1212 VanDerWaalsContact C-N 3.32Å; S1210-L1212 PolarHBondContact O-N 3.44Å; S1210-L1212 VanDerWaalsContact O-N 3.1Å; L1212-S1214 PolarHBondContact O-N 3.28Å; L1212-S1214 VanDerWaalsContact O-N 3.07Å | ||
| 1213 | K | 57.3 | Low | 62.6 | Low | 186.8 Ų | 186.8 | 102.2 Ų | 102.2 | 81% | 0.812 | 50% | 0.503 | S | S | * | . | trans | -68.4 | 102.1 | 175.5 | -70.6 | -178.3 | 179.6 | 177.1 | 0 | 108.8 | T1211 | T1211-K1213 VanDerWaalsContact C-N 3.33Å; T1211-K1213 PolarHBondContact O-N 3.26Å | ||
| 1214 | S | 62.1 | Low | 62.3 | Low | 45.8 Ų | 45.8 | 104.1 Ų | 104.1 | 32% | 0.32 | 52% | 0.523 | S | S | . | . | trans | -73.5 | 134.3 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | L1212 F1216 D1217 | L1212-S1214 PolarHBondContact O-N 3.28Å; L1212-S1214 VanDerWaalsContact O-N 3.07Å; S1214-F1216 PolarHBondContact O-N 3.06Å; S1214-F1216 VanDerWaalsContact O-N 3.14Å; S1214-F1216 WeakPolarHBondContact OG-CB 3.08Å; S1214-F1216 PolarHBondContact OG-N 3.12Å; S1214-F1216 VanDerWaalsContact OG-N 3.14Å; S1214-D1217 PolarHBondContact N-OD2 3.15Å; S1214-D1217 VanDerWaalsContact N-OD2 3.08Å; S1214-D1217 VanDerWaalsContact O-CB 3.27Å; S1214-D1217 WeakPolarHBondContact O-CB 3.29Å; S1214-D1217 VanDerWaalsContact O-CG 3.3Å; S1214-D1217 PolarHBondContact O-N 2.94Å | ||
| 1215 | K | 61.3 | Low | 62.5 | Low | 194.2 Ų | 194.2 | 100.7 Ų | 100.7 | 84% | 0.844 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -60.4 | -22.3 | 171.7 | -70.8 | -173.3 | 178.1 | -179.4 | 0 | 112.2 | D1217 | K1215-D1217 VanDerWaalsContact C-N 3.3Å; K1215-D1217 PolarHBondContact O-N 3.18Å |
| 1216 | F | 63.2 | Low | 62.9 | Low | 133.8 Ų | 133.8 | 100.7 Ų | 100.7 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -78.7 | -8.6 | 175.9 | -61.8 | -77.7 | 0 | 0 | 0 | 113.9 | L467 S1214 Q1218 R1219 R1220 | L467-F1216 HydrophobicContact CD1-CD1 3.86Å; L467-F1216 HydrophobicContact CD1-CE1 4.26Å; L467-F1216 HydrophobicContact CD2-CB 3.99Å; L467-F1216 HydrophobicContact CD2-CD1 4.21Å; L467-F1216 HydrophobicContact CD2-CG 4.49Å; S1214-F1216 PolarHBondContact O-N 3.06Å; S1214-F1216 VanDerWaalsContact O-N 3.14Å; S1214-F1216 WeakPolarHBondContact OG-CB 3.08Å; S1214-F1216 PolarHBondContact OG-N 3.12Å; S1214-F1216 VanDerWaalsContact OG-N 3.14Å; F1216-Q1218 PolarHBondContact O-N 3.11Å; F1216-Q1218 VanDerWaalsContact O-N 3.12Å; F1216-R1219 WeakPolarHBondContact O-CA 3.26Å; F1216-R1219 PolarHBondContact O-N 3.1Å; F1216-R1220 PolarHBondContact O-N 3.27Å |
| 1217 | D | 64.3 | Low | 63.9 | Low | 34 Ų | 34 | 96.9 Ų | 96.9 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -58.8 | -28.8 | 179.6 | -79.2 | -18.1 | 0 | 0 | 0 | 113 | S1214 K1215 R1219 R1220 K1223 | S1214-D1217 PolarHBondContact N-OD2 3.15Å; S1214-D1217 VanDerWaalsContact N-OD2 3.08Å; S1214-D1217 VanDerWaalsContact O-CB 3.27Å; S1214-D1217 WeakPolarHBondContact O-CB 3.29Å; S1214-D1217 VanDerWaalsContact O-CG 3.3Å; S1214-D1217 PolarHBondContact O-N 2.94Å; K1215-D1217 VanDerWaalsContact C-N 3.3Å; K1215-D1217 PolarHBondContact O-N 3.18Å; D1217-R1219 VanDerWaalsContact C-N 3.26Å; D1217-R1219 PolarHBondContact O-N 3.09Å; D1217-R1220 IonicContact OD1-NE 3.56Å; D1217-K1223 HydrophobicContact CB-CD 4.08Å; D1217-K1223 HydrophobicContact CB-CG 4.34Å; D1217-K1223 VanDerWaalsContact CG-CE 3.44Å; D1217-K1223 VanDerWaalsContact CG-NZ 3.32Å; D1217-K1223 WeakPolarHBondContact O-CG 3.31Å; D1217-K1223 VanDerWaalsContact OD1-CE 3.28Å; D1217-K1223 WeakPolarHBondContact OD1-CE 3.38Å; D1217-K1223 IonicContact OD1-NZ 3.05Å; D1217-K1223 PolarHBondContact OD1-NZ 3.38Å; D1217-K1223 IonicContact OD2-NZ 3.11Å; D1217-K1223 PolarHBondContact OD2-NZ 3.2Å |
| 1218 | Q | 62.7 | Low | 65 | Low | 184.6 Ų | 184.6 | 93.3 Ų | 93.3 | 86% | 0.863 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -72.1 | -14.6 | 176.4 | -66.4 | -179.8 | -10.2 | 0 | 0 | 113.6 | F1216 | F1216-Q1218 PolarHBondContact O-N 3.11Å; F1216-Q1218 VanDerWaalsContact O-N 3.12Å |
| 1219 | R | 62.8 | Low | 66.1 | Low | 150.2 Ų | 150.2 | 93.2 Ų | 93.2 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -108.7 | -5.2 | -178.3 | -66.8 | -131.3 | -179.7 | -167 | -0.7 | 113.8 | L467 L468 F1216 D1217 L1221 | L467-R1219 HydrophobicContact CD2-CB 4.24Å; L468-R1219 WeakPolarHBondContact CB-O 3.43Å; L468-R1219 WeakPolarHBondContact CG-O 3.15Å; L468-R1219 PolarHBondContact N-O 3.49Å; F1216-R1219 WeakPolarHBondContact O-CA 3.26Å; F1216-R1219 PolarHBondContact O-N 3.1Å; D1217-R1219 VanDerWaalsContact C-N 3.26Å; D1217-R1219 PolarHBondContact O-N 3.09Å; R1219-L1221 PolarHBondContact O-N 3.28Å |
| 1220 | R | 68.7 | Low | 67.5 | Low | 96.8 Ų | 96.8 | 86.7 Ų | 86.7 | 37% | 0.365 | 43% | 0.432 | S | S | . | . | trans | -79.7 | 111.8 | 178.3 | -77 | -179.8 | 174.2 | -168.2 | -1.2 | 110.8 | E465 D466 L467 F1216 D1217 N1222 K1223 | E465-R1220 IonicContact OE1-CZ 3.05Å; E465-R1220 IonicContact OE1-NH1 3.82Å; E465-R1220 PolarHBondContact OE1-NH1 3.25Å; E465-R1220 IonicContact OE1-NH2 2.73Å; E465-R1220 PolarHBondContact OE1-NH2 2.85Å; E465-R1220 VanDerWaalsContact OE1-NH2 3.1Å; E465-R1220 IonicContact OE2-CZ 3.1Å; E465-R1220 IonicContact OE2-NE 2.76Å; E465-R1220 PolarHBondContact OE2-NE 3.01Å; E465-R1220 IonicContact OE2-NH1 3.97Å; E465-R1220 PolarHBondContact OE2-NH1 2.85Å; E465-R1220 IonicContact OE2-NH2 2.71Å; E465-R1220 PolarHBondContact OE2-NH2 2.96Å; D466-R1220 WeakPolarHBondContact O-CA 3.24Å; L467-R1220 HydrophobicContact CD2-CG 3.88Å; F1216-R1220 PolarHBondContact O-N 3.27Å; D1217-R1220 IonicContact OD1-NE 3.56Å; R1220-N1222 VanDerWaalsContact C-N 3.25Å; R1220-N1222 PolarHBondContact O-N 3.22Å; R1220-N1222 VanDerWaalsContact O-N 3.09Å; R1220-K1223 HydrophobicContact CB-CB 4.09Å; R1220-K1223 VanDerWaalsContact O-CB 3.29Å; R1220-K1223 WeakPolarHBondContact O-CB 3.31Å; R1220-K1223 PolarHBondContact O-N 3.18Å | ||
| 1221 | L | 63.8 | Low | 69.1 | Low | 137.2 Ų | 137.2 | 83.4 Ų | 83.4 | 72% | 0.718 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -44.5 | -176.4 | -121.3 | 128.7 | 0 | 0 | 0 | 113.4 | D466 L468 R1219 K1223 | D466-L1221 PolarHBondContact O-N 3.28Å; D466-L1221 VanDerWaalsContact O-N 3.13Å; L468-L1221 HydrophobicContact CD2-CD1 3.53Å; L468-L1221 HydrophobicContact CG-CD1 4.46Å; R1219-L1221 PolarHBondContact O-N 3.28Å; L1221-K1223 PolarHBondContact O-N 3.24Å |
| 1222 | N | 70.3 | Confident | 70.5 | Confident | 44.2 Ų | 44.2 | 79.9 Ų | 79.9 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 15.3 | -174.1 | -65.3 | -5.1 | 0 | 0 | 0 | 114.2 | E464 R919 R1220 A1224 L1225 L1226 | E464-N1222 WeakPolarHBondContact OE1-CB 3.37Å; E464-N1222 PolarHBondContact OE1-ND2 3.19Å; R919-N1222 PolarHBondContact O-ND2 2.91Å; R919-N1222 VanDerWaalsContact O-ND2 3.15Å; R1220-N1222 VanDerWaalsContact C-N 3.25Å; R1220-N1222 PolarHBondContact O-N 3.22Å; R1220-N1222 VanDerWaalsContact O-N 3.09Å; N1222-A1224 VanDerWaalsContact C-N 3.29Å; N1222-A1224 PolarHBondContact O-N 3.21Å; N1222-A1224 VanDerWaalsContact O-N 3.09Å; N1222-L1225 HydrophobicContact CB-CB 4.5Å; N1222-L1225 HydrophobicContact CB-CD1 4.11Å; N1222-L1225 HydrophobicContact CB-CG 4.45Å; N1222-L1225 PolarHBondContact O-N 3.05Å; N1222-L1225 VanDerWaalsContact O-N 3.12Å; N1222-L1226 PolarHBondContact O-N 3.08Å |
| 1223 | K | 75 | Confident | 72.1 | Confident | 81.6 Ų | 81.6 | 73.1 Ų | 73.1 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.4 | -38.7 | -173.8 | -179.6 | 136.8 | 175.7 | -169.7 | 0 | 113.4 | D1217 R1220 L1221 L1225 L1226 A1227 | D1217-K1223 HydrophobicContact CB-CD 4.08Å; D1217-K1223 HydrophobicContact CB-CG 4.34Å; D1217-K1223 VanDerWaalsContact CG-CE 3.44Å; D1217-K1223 VanDerWaalsContact CG-NZ 3.32Å; D1217-K1223 WeakPolarHBondContact O-CG 3.31Å; D1217-K1223 VanDerWaalsContact OD1-CE 3.28Å; D1217-K1223 WeakPolarHBondContact OD1-CE 3.38Å; D1217-K1223 IonicContact OD1-NZ 3.05Å; D1217-K1223 PolarHBondContact OD1-NZ 3.38Å; D1217-K1223 IonicContact OD2-NZ 3.11Å; D1217-K1223 PolarHBondContact OD2-NZ 3.2Å; R1220-K1223 HydrophobicContact CB-CB 4.09Å; R1220-K1223 VanDerWaalsContact O-CB 3.29Å; R1220-K1223 WeakPolarHBondContact O-CB 3.31Å; R1220-K1223 PolarHBondContact O-N 3.18Å; L1221-K1223 PolarHBondContact O-N 3.24Å; K1223-L1225 VanDerWaalsContact C-N 3.35Å; K1223-L1226 PolarHBondContact O-N 3.05Å; K1223-A1227 WeakPolarHBondContact O-CB 3.34Å; K1223-A1227 PolarHBondContact O-N 3.02Å; K1223-A1227 VanDerWaalsContact O-N 3.08Å |
| 1224 | A | 72.6 | Confident | 73.5 | Confident | 64.2 Ų | 64.2 | 64.2 Ų | 64.2 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1222 L1226 A1227 Q1228 | N1222-A1224 VanDerWaalsContact C-N 3.29Å; N1222-A1224 PolarHBondContact O-N 3.21Å; N1222-A1224 VanDerWaalsContact O-N 3.09Å; A1224-L1226 VanDerWaalsContact C-N 3.34Å; A1224-L1226 PolarHBondContact O-N 2.79Å; A1224-A1227 PolarHBondContact O-N 3.1Å; A1224-A1227 VanDerWaalsContact O-N 3.14Å; A1224-Q1228 VanDerWaalsContact O-CG 3.31Å; A1224-Q1228 WeakPolarHBondContact O-CG 3.34Å; A1224-Q1228 PolarHBondContact O-N 3.1Å; A1224-Q1228 PolarHBondContact O-OE1 3.17Å |
| 1225 | L | 73.9 | Confident | 74.6 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.3 | -53.9 | 173.4 | 0 | 0 | 0 | 111 | R919 H920 V925 N1222 K1223 A1227 Q1228 C1229 | R919-L1225 WeakPolarHBondContact O-CD1 3.41Å; H920-L1225 HydrophobicContact CB-CB 4.12Å; V925-L1225 HydrophobicContact CG1-CB 4.01Å; V925-L1225 HydrophobicContact CG1-CD2 3.48Å; V925-L1225 HydrophobicContact CG1-CG 4.28Å; N1222-L1225 HydrophobicContact CB-CB 4.5Å; N1222-L1225 HydrophobicContact CB-CD1 4.11Å; N1222-L1225 HydrophobicContact CB-CG 4.45Å; N1222-L1225 PolarHBondContact O-N 3.05Å; N1222-L1225 VanDerWaalsContact O-N 3.12Å; K1223-L1225 VanDerWaalsContact C-N 3.35Å; L1225-A1227 VanDerWaalsContact C-N 3.31Å; L1225-A1227 PolarHBondContact O-N 3.23Å; L1225-Q1228 PolarHBondContact O-N 3.2Å; L1225-Q1228 VanDerWaalsContact O-N 3.15Å; L1225-C1229 VanDerWaalsContact O-CB 3.3Å; L1225-C1229 WeakPolarHBondContact O-CB 3.42Å; L1225-C1229 PolarHBondContact O-N 3.25Å |
| 1226 | L | 78 | Confident | 75.5 | Confident | 22.4 Ų | 22.4 | 55.6 Ų | 55.6 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 174.7 | 179.2 | 67.1 | 0 | 0 | 0 | 112.2 | F912 H920 N1222 K1223 A1224 Q1228 C1229 C1232 Q1233 L1236 | F912-L1226 HydrophobicContact CE2-CD1 3.8Å; F912-L1226 HydrophobicContact CZ-CD1 4.24Å; H920-L1226 WeakPolarHBondContact NE2-CD1 3.45Å; N1222-L1226 PolarHBondContact O-N 3.08Å; K1223-L1226 PolarHBondContact O-N 3.05Å; A1224-L1226 VanDerWaalsContact C-N 3.34Å; A1224-L1226 PolarHBondContact O-N 2.79Å; L1226-Q1228 VanDerWaalsContact C-N 3.29Å; L1226-Q1228 PolarHBondContact O-N 3.29Å; L1226-C1229 PolarHBondContact O-N 3.47Å; L1226-C1232 HydrophobicContact CD1-CB 3.71Å; L1226-Q1233 PolarHBondContact O-NE2 3.04Å; L1226-L1236 HydrophobicContact CD1-CD1 4.16Å; L1226-L1236 HydrophobicContact CD2-CD1 4.28Å; L1226-L1236 HydrophobicContact CG-CD1 4.33Å |
| 1227 | A | 78.4 | Confident | 76.4 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.9 | -23.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1223 A1224 L1225 N1294 | K1223-A1227 WeakPolarHBondContact O-CB 3.34Å; K1223-A1227 PolarHBondContact O-N 3.02Å; K1223-A1227 VanDerWaalsContact O-N 3.08Å; A1224-A1227 PolarHBondContact O-N 3.1Å; A1224-A1227 VanDerWaalsContact O-N 3.14Å; L1225-A1227 VanDerWaalsContact C-N 3.31Å; L1225-A1227 PolarHBondContact O-N 3.23Å; A1227-N1294 HydrophobicContact CB-CB 4.35Å; A1227-N1294 PolarHBondContact O-N 3.11Å |
| 1228 | Q | 79.1 | Confident | 77.3 | Confident | 45.8 Ų | 45.8 | 47.9 Ų | 47.9 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -84.8 | -24 | 173.8 | -69.2 | 164.3 | 9.5 | 0 | 0 | 112.5 | Q922 V925 A1224 L1225 L1226 S1230 V1293 N1294 | Q922-Q1228 PolarHBondContact NE2-O 3.14Å; Q922-Q1228 VanDerWaalsContact NE2-O 3.14Å; V925-Q1228 HydrophobicContact CG2-CB 3.51Å; V925-Q1228 HydrophobicContact CG2-CG 4.42Å; A1224-Q1228 VanDerWaalsContact O-CG 3.31Å; A1224-Q1228 WeakPolarHBondContact O-CG 3.34Å; A1224-Q1228 PolarHBondContact O-N 3.1Å; A1224-Q1228 PolarHBondContact O-OE1 3.17Å; L1225-Q1228 PolarHBondContact O-N 3.2Å; L1225-Q1228 VanDerWaalsContact O-N 3.15Å; L1226-Q1228 VanDerWaalsContact C-N 3.29Å; L1226-Q1228 PolarHBondContact O-N 3.29Å; Q1228-S1230 PolarHBondContact O-N 3.05Å; Q1228-V1293 WeakPolarHBondContact O-CG1 3.45Å; Q1228-N1294 WeakPolarHBondContact CA-O 3.27Å; Q1228-N1294 WeakPolarHBondContact CB-O 3.47Å; Q1228-N1294 WeakPolarHBondContact CG-O 3.24Å |
| 1229 | C | 82.5 | Confident | 78.1 | Confident | 6.6 Ų | 6.6 | 42.1 Ų | 42.1 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | trans | -79.9 | 96.8 | -177.2 | -174.2 | 0 | 0 | 0 | 0 | 112.8 | C915 H920 Q922 L1225 L1226 S1231 C1232 Q1233 | C915-C1229 VanDerWaalsContact SG-SG 3.66Å; H920-C1229 HydrophobicContact CB-CB 4.03Å; Q922-C1229 PolarHBondContact OE1-SG 3.15Å; Q922-C1229 VanDerWaalsContact OE1-SG 3.35Å; L1225-C1229 VanDerWaalsContact O-CB 3.3Å; L1225-C1229 WeakPolarHBondContact O-CB 3.42Å; L1225-C1229 PolarHBondContact O-N 3.25Å; L1226-C1229 PolarHBondContact O-N 3.47Å; C1229-S1231 VanDerWaalsContact C-N 3.28Å; C1229-S1231 PolarHBondContact O-N 3.21Å; C1229-S1231 PolarHBondContact SG-OG 3.34Å; C1229-C1232 HydrophobicContact CB-CB 4.07Å; C1229-C1232 CarbonylContact O-C 3.59Å; C1229-C1232 PolarHBondContact O-N 3.04Å; C1229-C1232 VanDerWaalsContact O-N 3.11Å; C1229-C1232 PolarHBondContact SG-N 3.26Å; C1229-C1232 VanDerWaalsContact SG-SG 3.66Å; C1229-Q1233 WeakPolarHBondContact O-CG 3.21Å; C1229-Q1233 PolarHBondContact O-N 3.03Å; C1229-Q1233 VanDerWaalsContact O-N 3.09Å | ||
| 1230 | S | 84 | Confident | 78.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -48.6 | -43.1 | 173.1 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | Q922 Q1228 C1232 Q1233 L1234 Y1442 F1443 | Q922-S1230 PolarHBondContact OE1-OG 2.9Å; Q1228-S1230 PolarHBondContact O-N 3.05Å; S1230-C1232 VanDerWaalsContact C-N 3.35Å; S1230-C1232 PolarHBondContact O-N 2.81Å; S1230-Q1233 PolarHBondContact O-N 2.97Å; S1230-Q1233 VanDerWaalsContact O-N 3.16Å; S1230-L1234 WeakPolarHBondContact O-CB 3.29Å; S1230-L1234 PolarHBondContact O-N 3.05Å; S1230-Y1442 VanDerWaalsContact CB-CE1 3.48Å; S1230-Y1442 VanDerWaalsContact CB-O 3.32Å; S1230-Y1442 WeakPolarHBondContact CB-O 3.32Å; S1230-Y1442 PolarHBondContact OG-O 3.03Å; S1230-F1443 WeakPolarHBondContact OG-CD1 3.44Å |
| 1231 | S | 85.1 | Confident | 79.1 | Confident | 3.2 Ų | 3.2 | 35.2 Ų | 35.2 | 2% | 0.022 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 179.7 | -44.2 | 0 | 0 | 0 | 0 | 111.2 | C1229 Q1233 L1234 T1235 F1446 | C1229-S1231 VanDerWaalsContact C-N 3.28Å; C1229-S1231 PolarHBondContact O-N 3.21Å; C1229-S1231 PolarHBondContact SG-OG 3.34Å; S1231-Q1233 VanDerWaalsContact C-N 3.35Å; S1231-Q1233 PolarHBondContact O-N 2.62Å; S1231-L1234 PolarHBondContact O-N 3.12Å; S1231-T1235 PolarHBondContact O-N 3.2Å; S1231-T1235 VanDerWaalsContact O-N 3.12Å; S1231-T1235 PolarHBondContact O-OG1 3.18Å; S1231-T1235 VanDerWaalsContact O-OG1 3.05Å; S1231-F1446 WeakPolarHBondContact OG-CB 3.32Å; S1231-F1446 PolarHBondContact OG-N 2.97Å; S1231-F1446 VanDerWaalsContact OG-N 3.1Å |
| 1232 | C | 84.3 | Confident | 79.7 | Confident | 9.8 Ų | 9.8 | 29.7 Ų | 29.7 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -34.7 | 175 | -78 | 0 | 0 | 0 | 0 | 112.6 | F912 C915 H920 L1226 C1229 S1230 L1234 T1235 L1236 | F912-C1232 HydrophobicContact CD2-CB 4.42Å; F912-C1232 HydrophobicContact CE2-CB 4.39Å; C915-C1232 VanDerWaalsContact CB-SG 3.51Å; C915-C1232 WeakPolarHBondContact CB-SG 3.43Å; C915-C1232 WeakPolarHBondContact SG-CB 3.48Å; C915-C1232 CovalentContact SG-SG 2.05Å; C915-C1232 PolarHBondContact SG-SG 3.14Å; H920-C1232 PolarHBondContact CE1-SG 3.11Å; H920-C1232 PolarHBondContact ND1-SG 3.27Å; L1226-C1232 HydrophobicContact CD1-CB 3.71Å; C1229-C1232 HydrophobicContact CB-CB 4.07Å; C1229-C1232 CarbonylContact O-C 3.59Å; C1229-C1232 PolarHBondContact O-N 3.04Å; C1229-C1232 VanDerWaalsContact O-N 3.11Å; C1229-C1232 PolarHBondContact SG-N 3.26Å; C1229-C1232 VanDerWaalsContact SG-SG 3.66Å; S1230-C1232 VanDerWaalsContact C-N 3.35Å; S1230-C1232 PolarHBondContact O-N 2.81Å; C1232-L1234 VanDerWaalsContact C-N 3.34Å; C1232-T1235 PolarHBondContact O-N 3.13Å; C1232-L1236 VanDerWaalsContact O-CB 3.26Å; C1232-L1236 WeakPolarHBondContact O-CB 3.35Å; C1232-L1236 VanDerWaalsContact O-CG 3.26Å; C1232-L1236 WeakPolarHBondContact O-CG 3.29Å; C1232-L1236 PolarHBondContact O-N 3.14Å |
| 1233 | Q | 84.9 | Confident | 79.7 | Confident | 18.6 Ų | 18.6 | 31.2 Ų | 31.2 | 9% | 0.087 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 175.2 | -66.2 | -54.3 | -38.2 | 0 | 0 | 112.1 | L1226 C1229 S1230 S1231 L1236 A1237 L1287 L1292 V1293 | L1226-Q1233 PolarHBondContact O-NE2 3.04Å; C1229-Q1233 WeakPolarHBondContact O-CG 3.21Å; C1229-Q1233 PolarHBondContact O-N 3.03Å; C1229-Q1233 VanDerWaalsContact O-N 3.09Å; S1230-Q1233 PolarHBondContact O-N 2.97Å; S1230-Q1233 VanDerWaalsContact O-N 3.16Å; S1231-Q1233 VanDerWaalsContact C-N 3.35Å; S1231-Q1233 PolarHBondContact O-N 2.62Å; Q1233-L1236 PolarHBondContact O-N 3.18Å; Q1233-A1237 VanDerWaalsContact O-CB 3.25Å; Q1233-A1237 WeakPolarHBondContact O-CB 3.25Å; Q1233-A1237 PolarHBondContact O-N 3.26Å; Q1233-L1287 HydrophobicContact CB-CD2 4.45Å; Q1233-L1292 WeakPolarHBondContact CG-O 3.34Å; Q1233-V1293 HydrophobicContact CB-CG2 3.96Å; Q1233-V1293 HydrophobicContact CG-CG2 4.04Å |
| 1234 | L | 87 | Confident | 79.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.6 | -50.3 | 169.9 | 179 | 61.8 | 0 | 0 | 0 | 111 | M1199 S1230 S1231 C1232 L1236 A1237 L1238 L1280 W1283 L1287 F1443 F1446 | M1199-L1234 HydrophobicContact CE-CD2 4.25Å; S1230-L1234 WeakPolarHBondContact O-CB 3.29Å; S1230-L1234 PolarHBondContact O-N 3.05Å; S1231-L1234 PolarHBondContact O-N 3.12Å; C1232-L1234 VanDerWaalsContact C-N 3.34Å; L1234-L1236 VanDerWaalsContact C-N 3.34Å; L1234-L1236 PolarHBondContact O-N 3.02Å; L1234-A1237 WeakPolarHBondContact O-CB 3.34Å; L1234-A1237 PolarHBondContact O-N 2.97Å; L1234-L1238 HydrophobicContact CD1-CD1 4.18Å; L1234-L1238 HydrophobicContact CD1-CG 4.35Å; L1234-L1238 HydrophobicContact CG-CD1 4.17Å; L1234-L1238 WeakPolarHBondContact O-CG 3.36Å; L1234-L1238 PolarHBondContact O-N 3.13Å; L1234-L1280 HydrophobicContact CD2-CD2 3.58Å; L1234-L1280 VanDerWaalsContact CD2-CD2 3.5Å; L1234-W1283 HydrophobicContact CD1-CB 4.06Å; L1234-W1283 HydrophobicContact CD1-CD2 3.46Å; L1234-W1283 VanDerWaalsContact CD1-CD2 3.46Å; L1234-W1283 HydrophobicContact CD1-CE3 3.5Å; L1234-W1283 VanDerWaalsContact CD1-CE3 3.49Å; L1234-W1283 HydrophobicContact CD1-CG 3.72Å; L1234-W1283 HydrophobicContact CD1-CZ3 4.19Å; L1234-L1287 HydrophobicContact CB-CD1 4.08Å; L1234-L1287 HydrophobicContact CD1-CD1 4.42Å; L1234-F1443 HydrophobicContact CB-CE1 4.23Å; L1234-F1443 HydrophobicContact CD2-CD1 4.4Å; L1234-F1443 HydrophobicContact CD2-CE1 4.03Å; L1234-F1443 HydrophobicContact CD2-CZ 4.32Å; L1234-F1446 HydrophobicContact CD2-CD2 4.31Å; L1234-F1446 HydrophobicContact CD2-CE2 4.15Å; L1234-F1446 HydrophobicContact CD2-CG 4.44Å; L1234-F1446 HydrophobicContact CD2-CZ 4.33Å |
| 1235 | T | 84.3 | Confident | 79.2 | Confident | 15.6 Ų | 15.6 | 28.3 Ų | 28.3 | 10% | 0.096 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | L908 Q911 F912 S1231 C1232 L1238 M1239 | L908-T1235 HydrophobicContact CB-CG2 3.9Å; L908-T1235 HydrophobicContact CD2-CG2 3.96Å; L908-T1235 HydrophobicContact CG-CG2 4.46Å; L908-T1235 WeakPolarHBondContact O-CG2 3.44Å; Q911-T1235 HydrophobicContact CB-CG2 4.32Å; Q911-T1235 HydrophobicContact CG-CG2 4.42Å; F912-T1235 HydrophobicContact CB-CG2 4.01Å; S1231-T1235 PolarHBondContact O-N 3.2Å; S1231-T1235 VanDerWaalsContact O-N 3.12Å; S1231-T1235 PolarHBondContact O-OG1 3.18Å; S1231-T1235 VanDerWaalsContact O-OG1 3.05Å; C1232-T1235 PolarHBondContact O-N 3.13Å; T1235-L1238 PolarHBondContact O-N 3.06Å; T1235-M1239 HydrophobicContact CG2-CE 4.22Å; T1235-M1239 HydrophobicContact CG2-CG 4.39Å; T1235-M1239 WeakPolarHBondContact O-CB 3.34Å; T1235-M1239 VanDerWaalsContact O-CG 3.28Å; T1235-M1239 WeakPolarHBondContact O-CG 3.34Å; T1235-M1239 PolarHBondContact O-N 3.21Å |
| 1236 | L | 81.5 | Confident | 78.6 | Confident | 42.8 Ų | 42.8 | 31.5 Ų | 31.5 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.3 | -73.7 | 170.3 | 0 | 0 | 0 | 112.5 | F912 L1226 C1232 Q1233 L1234 M1239 R1240 | F912-L1236 HydrophobicContact CD2-CD2 4.3Å; F912-L1236 HydrophobicContact CD2-CG 4.31Å; F912-L1236 HydrophobicContact CE2-CD1 4.25Å; F912-L1236 HydrophobicContact CE2-CD2 4.06Å; F912-L1236 HydrophobicContact CE2-CG 4.13Å; L1226-L1236 HydrophobicContact CD1-CD1 4.16Å; L1226-L1236 HydrophobicContact CD2-CD1 4.28Å; L1226-L1236 HydrophobicContact CG-CD1 4.33Å; C1232-L1236 VanDerWaalsContact O-CB 3.26Å; C1232-L1236 WeakPolarHBondContact O-CB 3.35Å; C1232-L1236 VanDerWaalsContact O-CG 3.26Å; C1232-L1236 WeakPolarHBondContact O-CG 3.29Å; C1232-L1236 PolarHBondContact O-N 3.14Å; Q1233-L1236 PolarHBondContact O-N 3.18Å; L1234-L1236 VanDerWaalsContact C-N 3.34Å; L1234-L1236 PolarHBondContact O-N 3.02Å; L1236-M1239 HydrophobicContact CD2-CE 3.85Å; L1236-M1239 HydrophobicContact CG-CE 4.39Å; L1236-M1239 PolarHBondContact O-N 3.03Å; L1236-R1240 WeakPolarHBondContact O-CB 3.29Å; L1236-R1240 VanDerWaalsContact O-CG 3.3Å; L1236-R1240 WeakPolarHBondContact O-CG 3.27Å; L1236-R1240 PolarHBondContact O-N 3.03Å |
| 1237 | A | 81.9 | Confident | 77.7 | Confident | 2.4 Ų | 2.4 | 34.7 Ų | 34.7 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1208 Q1233 L1234 M1239 R1240 Y1241 W1283 L1287 | L1208-A1237 HydrophobicContact CD2-CB 3.75Å; Q1233-A1237 VanDerWaalsContact O-CB 3.25Å; Q1233-A1237 WeakPolarHBondContact O-CB 3.25Å; Q1233-A1237 PolarHBondContact O-N 3.26Å; L1234-A1237 WeakPolarHBondContact O-CB 3.34Å; L1234-A1237 PolarHBondContact O-N 2.97Å; A1237-M1239 PolarHBondContact O-N 3.13Å; A1237-R1240 WeakPolarHBondContact O-CB 3.49Å; A1237-R1240 PolarHBondContact O-N 3.13Å; A1237-Y1241 PolarHBondContact O-N 3.14Å; A1237-W1283 HydrophobicContact CB-CZ3 4.37Å; A1237-L1287 HydrophobicContact CB-CD2 4.49Å |
| 1238 | L | 83.2 | Confident | 76.5 | Confident | 4.2 Ų | 4.2 | 41.6 Ų | 41.6 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.4 | -64.1 | 173 | 0 | 0 | 0 | 112.1 | L908 M1199 A1202 L1234 T1235 R1240 Y1241 C1242 W1283 | L908-L1238 HydrophobicContact CD1-CB 3.6Å; L908-L1238 HydrophobicContact CD2-CB 3.83Å; L908-L1238 HydrophobicContact CD2-CD1 3.76Å; L908-L1238 HydrophobicContact CD2-CG 4.46Å; L908-L1238 HydrophobicContact CG-CB 4.4Å; M1199-L1238 HydrophobicContact CG-CD1 3.94Å; M1199-L1238 HydrophobicContact CG-CD2 4.44Å; A1202-L1238 HydrophobicContact CB-CD2 3.73Å; L1234-L1238 HydrophobicContact CD1-CD1 4.18Å; L1234-L1238 HydrophobicContact CD1-CG 4.35Å; L1234-L1238 HydrophobicContact CG-CD1 4.17Å; L1234-L1238 WeakPolarHBondContact O-CG 3.36Å; L1234-L1238 PolarHBondContact O-N 3.13Å; T1235-L1238 PolarHBondContact O-N 3.06Å; L1238-R1240 PolarHBondContact O-N 3.05Å; L1238-Y1241 WeakPolarHBondContact O-CB 3.29Å; L1238-Y1241 PolarHBondContact O-N 2.91Å; L1238-C1242 PolarHBondContact O-N 3.04Å; L1238-C1242 PolarHBondContact O-SG 3.18Å; L1238-C1242 VanDerWaalsContact O-SG 3.34Å; L1238-W1283 HydrophobicContact CD2-CH2 4.08Å; L1238-W1283 HydrophobicContact CD2-CZ2 3.83Å |
| 1239 | M | 78.2 | Confident | 75.4 | Confident | 63.2 Ų | 63.2 | 42 Ų | 42 | 31% | 0.311 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 174.5 | -74.7 | -99.6 | -66.3 | 0 | 0 | 112.7 | T905 L908 V909 F912 T1235 L1236 A1237 Y1241 C1242 A1243 | T905-M1239 HydrophobicContact CG2-CE 4.37Å; T905-M1239 HydrophobicContact CG2-SD 4.22Å; L908-M1239 HydrophobicContact CB-CG 3.64Å; L908-M1239 VanDerWaalsContact CB-CG 3.49Å; L908-M1239 HydrophobicContact CB-SD 3.89Å; L908-M1239 VanDerWaalsContact CB-SD 3.54Å; L908-M1239 HydrophobicContact CD1-CG 3.97Å; L908-M1239 HydrophobicContact CD1-SD 3.93Å; L908-M1239 HydrophobicContact CG-CG 4.33Å; L908-M1239 HydrophobicContact CG-SD 4.4Å; V909-M1239 HydrophobicContact CG2-CE 3.69Å; V909-M1239 HydrophobicContact CG2-SD 4.01Å; F912-M1239 HydrophobicContact CB-CE 4.46Å; F912-M1239 HydrophobicContact CG-CE 4.42Å; T1235-M1239 HydrophobicContact CG2-CE 4.22Å; T1235-M1239 HydrophobicContact CG2-CG 4.39Å; T1235-M1239 WeakPolarHBondContact O-CB 3.34Å; T1235-M1239 VanDerWaalsContact O-CG 3.28Å; T1235-M1239 WeakPolarHBondContact O-CG 3.34Å; T1235-M1239 PolarHBondContact O-N 3.21Å; L1236-M1239 HydrophobicContact CD2-CE 3.85Å; L1236-M1239 HydrophobicContact CG-CE 4.39Å; L1236-M1239 PolarHBondContact O-N 3.03Å; A1237-M1239 PolarHBondContact O-N 3.13Å; M1239-Y1241 VanDerWaalsContact C-N 3.33Å; M1239-Y1241 PolarHBondContact O-N 3.11Å; M1239-C1242 PolarHBondContact O-N 3.2Å; M1239-A1243 VanDerWaalsContact O-CB 3.32Å; M1239-A1243 WeakPolarHBondContact O-CB 3.32Å; M1239-A1243 PolarHBondContact O-N 3.29Å |
| 1240 | R | 76.3 | Confident | 74 | Confident | 74 Ų | 74 | 43.6 Ų | 43.6 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 173 | -74 | 176.9 | -162.3 | 148.3 | 9.6 | 111.7 | L1208 L1236 A1237 L1238 A1243 A1244 | L1208-R1240 PolarHBondContact O-NH1 2.92Å; L1236-R1240 WeakPolarHBondContact O-CB 3.29Å; L1236-R1240 VanDerWaalsContact O-CG 3.3Å; L1236-R1240 WeakPolarHBondContact O-CG 3.27Å; L1236-R1240 PolarHBondContact O-N 3.03Å; A1237-R1240 WeakPolarHBondContact O-CB 3.49Å; A1237-R1240 PolarHBondContact O-N 3.13Å; L1238-R1240 PolarHBondContact O-N 3.05Å; R1240-A1243 PolarHBondContact O-N 3.02Å; R1240-A1244 VanDerWaalsContact O-CB 3.26Å; R1240-A1244 WeakPolarHBondContact O-CB 3.41Å; R1240-A1244 PolarHBondContact O-N 3.15Å; R1240-A1244 VanDerWaalsContact O-N 3.13Å |
| 1241 | Y | 77.9 | Confident | 72.4 | Confident | 26.6 Ų | 26.6 | 52.8 Ų | 52.8 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 174.2 | 175.1 | -102.5 | 0 | 0 | 0 | 111.2 | D1201 A1202 S1205 A1237 L1238 M1239 A1243 A1244 E1245 R1253 K1254 | D1201-Y1241 HydrophobicContact CB-CE1 4.31Å; D1201-Y1241 VanDerWaalsContact CB-OH 3.28Å; D1201-Y1241 WeakPolarHBondContact CB-OH 3.41Å; D1201-Y1241 PolarHBondContact O-OH 3.41Å; A1202-Y1241 HydrophobicContact CB-CD1 3.7Å; A1202-Y1241 HydrophobicContact CB-CD2 3.89Å; A1202-Y1241 HydrophobicContact CB-CE1 4.12Å; A1202-Y1241 HydrophobicContact CB-CE2 4.24Å; A1202-Y1241 HydrophobicContact CB-CG 3.57Å; S1205-Y1241 VanDerWaalsContact OG-CD2 3.31Å; S1205-Y1241 WeakPolarHBondContact OG-CD2 3.34Å; A1237-Y1241 PolarHBondContact O-N 3.14Å; L1238-Y1241 WeakPolarHBondContact O-CB 3.29Å; L1238-Y1241 PolarHBondContact O-N 2.91Å; M1239-Y1241 VanDerWaalsContact C-N 3.33Å; M1239-Y1241 PolarHBondContact O-N 3.11Å; Y1241-A1243 VanDerWaalsContact C-N 3.3Å; Y1241-A1243 PolarHBondContact O-N 3.09Å; Y1241-A1244 PolarHBondContact O-N 3.05Å; Y1241-A1244 VanDerWaalsContact O-N 3.13Å; Y1241-E1245 HydrophobicContact CE1-CG 4.4Å; Y1241-E1245 WeakPolarHBondContact CE1-OE2 3.48Å; Y1241-E1245 HydrophobicContact CE2-CG 4.27Å; Y1241-E1245 VanDerWaalsContact CZ-CD 3.41Å; Y1241-E1245 VanDerWaalsContact CZ-OE1 3.25Å; Y1241-E1245 PolarHBondContact O-N 3.27Å; Y1241-E1245 VanDerWaalsContact O-N 3.13Å; Y1241-E1245 VanDerWaalsContact OH-CD 3.25Å; Y1241-E1245 PolarHBondContact OH-OE1 2.93Å; Y1241-E1245 PolarHBondContact OH-OE2 3.03Å; Y1241-R1253 PolarHBondContact OH-NH1 3.05Å; Y1241-R1253 VanDerWaalsContact OH-NH1 3.16Å; Y1241-R1253 PolarHBondContact OH-NH2 3.18Å; Y1241-K1254 PolarHBondContact OH-NZ 3.02Å |
| 1242 | C | 74.6 | Confident | 70.7 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -35.9 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 113 | T905 L1238 M1239 A1244 Y1250 | T905-C1242 HydrophobicContact CG2-CB 3.81Å; L1238-C1242 PolarHBondContact O-N 3.04Å; L1238-C1242 PolarHBondContact O-SG 3.18Å; L1238-C1242 VanDerWaalsContact O-SG 3.34Å; M1239-C1242 PolarHBondContact O-N 3.2Å; C1242-A1244 VanDerWaalsContact C-N 3.32Å; C1242-A1244 PolarHBondContact O-N 2.9Å; C1242-Y1250 HydrophobicContact CB-CE2 4.14Å |
| 1243 | A | 72.1 | Confident | 69.3 | Low | 77.2 Ų | 77.2 | 59.5 Ų | 59.5 | 64% | 0.638 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -78.1 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1239 R1240 Y1241 | M1239-A1243 VanDerWaalsContact O-CB 3.32Å; M1239-A1243 WeakPolarHBondContact O-CB 3.32Å; M1239-A1243 PolarHBondContact O-N 3.29Å; R1240-A1243 PolarHBondContact O-N 3.02Å; Y1241-A1243 VanDerWaalsContact C-N 3.3Å; Y1241-A1243 PolarHBondContact O-N 3.09Å |
| 1244 | A | 70.6 | Confident | 67.7 | Low | 39.8 Ų | 39.8 | 64.4 Ų | 64.4 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -104.3 | -2.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1207 R1240 Y1241 C1242 | K1207-A1244 HydrophobicContact CB-CB 4.43Å; K1207-A1244 HydrophobicContact CD-CB 3.83Å; K1207-A1244 PolarHBondContact NZ-O 3.07Å; R1240-A1244 VanDerWaalsContact O-CB 3.26Å; R1240-A1244 WeakPolarHBondContact O-CB 3.41Å; R1240-A1244 PolarHBondContact O-N 3.15Å; R1240-A1244 VanDerWaalsContact O-N 3.13Å; Y1241-A1244 PolarHBondContact O-N 3.05Å; Y1241-A1244 VanDerWaalsContact O-N 3.13Å; C1242-A1244 VanDerWaalsContact C-N 3.32Å; C1242-A1244 PolarHBondContact O-N 2.9Å |
| 1245 | E | 65.8 | Low | 66.1 | Low | 45 Ų | 45 | 66 Ų | 66 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -87.9 | 150 | 172.5 | -110.8 | -170.1 | 158.4 | 0 | 0 | 111.5 | Y1241 A1249 Y1250 R1253 K1254 | Y1241-E1245 HydrophobicContact CE1-CG 4.4Å; Y1241-E1245 WeakPolarHBondContact CE1-OE2 3.48Å; Y1241-E1245 HydrophobicContact CE2-CG 4.27Å; Y1241-E1245 VanDerWaalsContact CZ-CD 3.41Å; Y1241-E1245 VanDerWaalsContact CZ-OE1 3.25Å; Y1241-E1245 PolarHBondContact O-N 3.27Å; Y1241-E1245 VanDerWaalsContact O-N 3.13Å; Y1241-E1245 VanDerWaalsContact OH-CD 3.25Å; Y1241-E1245 PolarHBondContact OH-OE1 2.93Å; Y1241-E1245 PolarHBondContact OH-OE2 3.03Å; E1245-A1249 HydrophobicContact CG-CB 4.25Å; E1245-A1249 WeakPolarHBondContact OE1-CB 3.49Å; E1245-Y1250 WeakPolarHBondContact OE2-CD2 3.49Å; E1245-R1253 VanDerWaalsContact CD-NH2 3.32Å; E1245-R1253 IonicContact OE1-CZ 3.23Å; E1245-R1253 IonicContact OE1-NE 3.07Å; E1245-R1253 IonicContact OE1-NH2 3Å; E1245-R1253 PolarHBondContact OE1-NH2 3.12Å; E1245-R1253 IonicContact OE2-CZ 3.55Å; E1245-R1253 VanDerWaalsContact OE2-CZ 3.27Å; E1245-R1253 IonicContact OE2-NE 2.83Å; E1245-R1253 PolarHBondContact OE2-NE 3.15Å; E1245-R1253 IonicContact OE2-NH1 2.68Å; E1245-R1253 PolarHBondContact OE2-NH1 2.85Å; E1245-R1253 IonicContact OE2-NH2 3.27Å; E1245-R1253 PolarHBondContact OE2-NH2 3.15Å; E1245-K1254 IonicContact OE1-NZ 3.57Å; E1245-K1254 PolarHBondContact OE1-NZ 3.47Å; E1245-K1254 IonicContact OE2-NZ 2.66Å |
| 1246 | N | 60.7 | Low | 64.4 | Low | 121.4 Ų | 121.4 | 67.6 Ų | 67.6 | 65% | 0.649 | 37% | 0.367 | S | S | * | . | trans | -67.3 | 132.3 | 173.4 | -90 | -7.7 | 0 | 0 | 0 | 109.7 | E1248 A1249 Y1250 | N1246-E1248 PolarHBondContact O-N 2.88Å; N1246-E1248 VanDerWaalsContact O-N 3.11Å; N1246-A1249 HydrophobicContact CB-CB 4.28Å; N1246-A1249 WeakPolarHBondContact O-CB 3.49Å; N1246-A1249 PolarHBondContact O-N 2.94Å; N1246-A1249 VanDerWaalsContact O-N 3.08Å; N1246-Y1250 PolarHBondContact O-N 3.19Å | ||
| 1247 | P | 59 | Low | 62.8 | Low | 89.2 Ų | 89.2 | 67.6 Ų | 67.6 | 58% | 0.579 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.5 | -26.7 | -176.2 | 23.1 | -33.4 | 0 | 0 | 0 | 113.1 | Y1250 R1251 | P1247-Y1250 WeakPolarHBondContact O-CB 3.3Å; P1247-Y1250 PolarHBondContact O-N 2.8Å; P1247-R1251 VanDerWaalsContact O-CB 3.28Å; P1247-R1251 WeakPolarHBondContact O-CB 3.29Å; P1247-R1251 WeakPolarHBondContact O-CG 3.38Å; P1247-R1251 PolarHBondContact O-N 3.08Å; P1247-R1251 VanDerWaalsContact O-N 3.1Å |
| 1248 | E | 53.1 | Low | 61.5 | Low | 166 Ų | 166 | 68.6 Ų | 68.6 | 78% | 0.776 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72 | -38.6 | 174.7 | -62.4 | -166.9 | 156.1 | 0 | 0 | 113 | N1246 Y1250 R1251 G1252 | N1246-E1248 PolarHBondContact O-N 2.88Å; N1246-E1248 VanDerWaalsContact O-N 3.11Å; E1248-Y1250 VanDerWaalsContact C-N 3.33Å; E1248-Y1250 PolarHBondContact O-N 3.04Å; E1248-R1251 PolarHBondContact O-N 3.07Å; E1248-G1252 WeakPolarHBondContact O-CA 3.43Å; E1248-G1252 PolarHBondContact O-N 3.02Å |
| 1249 | A | 56.1 | Low | 60 | Low | 52.8 Ų | 52.8 | 70.8 Ų | 70.8 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1245 N1246 G1252 R1253 | E1245-A1249 HydrophobicContact CG-CB 4.25Å; E1245-A1249 WeakPolarHBondContact OE1-CB 3.49Å; N1246-A1249 HydrophobicContact CB-CB 4.28Å; N1246-A1249 WeakPolarHBondContact O-CB 3.49Å; N1246-A1249 PolarHBondContact O-N 2.94Å; N1246-A1249 VanDerWaalsContact O-N 3.08Å; A1249-G1252 CarbonylContact O-C 3.51Å; A1249-G1252 WeakPolarHBondContact O-CA 3.45Å; A1249-G1252 PolarHBondContact O-N 3.01Å; A1249-G1252 VanDerWaalsContact O-N 3.12Å; A1249-R1253 WeakPolarHBondContact O-CB 3.21Å; A1249-R1253 PolarHBondContact O-N 2.94Å; A1249-R1253 VanDerWaalsContact O-N 3.09Å |
| 1250 | Y | 54.1 | Low | 58.6 | Low | 41.8 Ų | 41.8 | 70.7 Ų | 70.7 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 176 | -165 | -92.5 | 0 | 0 | 0 | 112.3 | T903 G904 T905 L1198 C1242 E1245 N1246 P1247 E1248 G1252 R1253 K1254 V1255 | T903-Y1250 HydrophobicContact CG2-CD1 4.45Å; T903-Y1250 HydrophobicContact CG2-CE1 3.75Å; G904-Y1250 WeakPolarHBondContact CA-OH 3.32Å; G904-Y1250 PolarHBondContact N-OH 2.82Å; T905-Y1250 PolarHBondContact N-OH 3.14Å; T905-Y1250 PolarHBondContact OG1-OH 3.15Å; L1198-Y1250 HydrophobicContact CD2-CE2 4.5Å; C1242-Y1250 HydrophobicContact CB-CE2 4.14Å; E1245-Y1250 WeakPolarHBondContact OE2-CD2 3.49Å; N1246-Y1250 PolarHBondContact O-N 3.19Å; P1247-Y1250 WeakPolarHBondContact O-CB 3.3Å; P1247-Y1250 PolarHBondContact O-N 2.8Å; E1248-Y1250 VanDerWaalsContact C-N 3.33Å; E1248-Y1250 PolarHBondContact O-N 3.04Å; Y1250-G1252 VanDerWaalsContact C-N 3.3Å; Y1250-G1252 PolarHBondContact O-N 2.78Å; Y1250-R1253 CarbonylContact O-C 3.6Å; Y1250-R1253 WeakPolarHBondContact O-CA 3.43Å; Y1250-R1253 VanDerWaalsContact O-CB 3.3Å; Y1250-R1253 WeakPolarHBondContact O-CB 3.44Å; Y1250-R1253 PolarHBondContact O-N 2.96Å; Y1250-K1254 HydrophobicContact CD2-CB 4.34Å; Y1250-K1254 HydrophobicContact CD2-CD 3.85Å; Y1250-K1254 HydrophobicContact CE2-CB 4.32Å; Y1250-K1254 HydrophobicContact CE2-CD 3.86Å; Y1250-K1254 PolarHBondContact O-N 2.77Å; Y1250-V1255 HydrophobicContact CD1-CG2 3.77Å; Y1250-V1255 HydrophobicContact CE1-CG2 3.55Å; Y1250-V1255 PolarHBondContact O-N 3.2Å |
| 1251 | R | 50.6 | Low | 57.3 | Low | 193 Ų | 193 | 70 Ų | 70 | 73% | 0.728 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.8 | -33.6 | 171.6 | -101.8 | -174.8 | -171.3 | -174.9 | -1.9 | 112.8 | P1247 E1248 R1253 K1254 | P1247-R1251 VanDerWaalsContact O-CB 3.28Å; P1247-R1251 WeakPolarHBondContact O-CB 3.29Å; P1247-R1251 WeakPolarHBondContact O-CG 3.38Å; P1247-R1251 PolarHBondContact O-N 3.08Å; P1247-R1251 VanDerWaalsContact O-N 3.1Å; E1248-R1251 PolarHBondContact O-N 3.07Å; R1251-R1253 VanDerWaalsContact C-N 3.26Å; R1251-R1253 PolarHBondContact O-N 3.06Å; R1251-K1254 PolarHBondContact O-N 2.72Å |
| 1252 | G | 48.5 | Very low | 55.9 | Low | 56.8 Ų | 56.8 | 71.4 Ų | 71.4 | 59% | 0.586 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69 | -24.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E1248 A1249 Y1250 K1254 | E1248-G1252 WeakPolarHBondContact O-CA 3.43Å; E1248-G1252 PolarHBondContact O-N 3.02Å; A1249-G1252 CarbonylContact O-C 3.51Å; A1249-G1252 WeakPolarHBondContact O-CA 3.45Å; A1249-G1252 PolarHBondContact O-N 3.01Å; A1249-G1252 VanDerWaalsContact O-N 3.12Å; Y1250-G1252 VanDerWaalsContact C-N 3.3Å; Y1250-G1252 PolarHBondContact O-N 2.78Å; G1252-K1254 PolarHBondContact O-N 3.26Å |
| 1253 | R | 54.7 | Low | 54.7 | Low | 97.4 Ų | 97.4 | 73.1 Ų | 73.1 | 37% | 0.368 | 43% | 0.43 | S | S | . | . | trans | -76.1 | 56 | 173 | -63.1 | 179.9 | -177.8 | -145.6 | 0.9 | 111.6 | D1201 Y1241 E1245 A1249 Y1250 R1251 V1255 | D1201-R1253 VanDerWaalsContact CB-NH1 3.29Å; D1201-R1253 IonicContact OD2-CZ 3.5Å; D1201-R1253 IonicContact OD2-NE 2.81Å; D1201-R1253 PolarHBondContact OD2-NE 2.78Å; D1201-R1253 IonicContact OD2-NH1 3.21Å; D1201-R1253 PolarHBondContact OD2-NH1 3.17Å; D1201-R1253 IonicContact OD2-NH2 3.14Å; D1201-R1253 PolarHBondContact OD2-NH2 3.15Å; D1201-R1253 VanDerWaalsContact OD2-NH2 3.16Å; Y1241-R1253 PolarHBondContact OH-NH1 3.05Å; Y1241-R1253 VanDerWaalsContact OH-NH1 3.16Å; Y1241-R1253 PolarHBondContact OH-NH2 3.18Å; E1245-R1253 VanDerWaalsContact CD-NH2 3.32Å; E1245-R1253 IonicContact OE1-CZ 3.23Å; E1245-R1253 IonicContact OE1-NE 3.07Å; E1245-R1253 IonicContact OE1-NH2 3Å; E1245-R1253 PolarHBondContact OE1-NH2 3.12Å; E1245-R1253 IonicContact OE2-CZ 3.55Å; E1245-R1253 VanDerWaalsContact OE2-CZ 3.27Å; E1245-R1253 IonicContact OE2-NE 2.83Å; E1245-R1253 PolarHBondContact OE2-NE 3.15Å; E1245-R1253 IonicContact OE2-NH1 2.68Å; E1245-R1253 PolarHBondContact OE2-NH1 2.85Å; E1245-R1253 IonicContact OE2-NH2 3.27Å; E1245-R1253 PolarHBondContact OE2-NH2 3.15Å; A1249-R1253 WeakPolarHBondContact O-CB 3.21Å; A1249-R1253 PolarHBondContact O-N 2.94Å; A1249-R1253 VanDerWaalsContact O-N 3.09Å; Y1250-R1253 CarbonylContact O-C 3.6Å; Y1250-R1253 WeakPolarHBondContact O-CA 3.43Å; Y1250-R1253 VanDerWaalsContact O-CB 3.3Å; Y1250-R1253 WeakPolarHBondContact O-CB 3.44Å; Y1250-R1253 PolarHBondContact O-N 2.96Å; R1251-R1253 VanDerWaalsContact C-N 3.26Å; R1251-R1253 PolarHBondContact O-N 3.06Å; R1253-V1255 HydrophobicContact CB-CG2 4.4Å; R1253-V1255 PolarHBondContact O-N 2.93Å | ||
| 1254 | K | 51.3 | Low | 53.9 | Low | 122 Ų | 122 | 73.4 Ų | 73.4 | 53% | 0.53 | 42% | 0.423 | S | S | . | . | trans | -71 | 91.3 | 170.3 | -69.2 | -172 | 176.9 | -174.2 | 0 | 109.8 | D1201 Y1241 E1245 Y1250 R1251 G1252 A1256 P1257 I1258 | D1201-K1254 WeakPolarHBondContact OD2-CD 3.28Å; D1201-K1254 WeakPolarHBondContact OD2-CE 3.33Å; D1201-K1254 IonicContact OD2-NZ 3.38Å; D1201-K1254 PolarHBondContact OD2-NZ 3.43Å; Y1241-K1254 PolarHBondContact OH-NZ 3.02Å; E1245-K1254 IonicContact OE1-NZ 3.57Å; E1245-K1254 PolarHBondContact OE1-NZ 3.47Å; E1245-K1254 IonicContact OE2-NZ 2.66Å; Y1250-K1254 HydrophobicContact CD2-CB 4.34Å; Y1250-K1254 HydrophobicContact CD2-CD 3.85Å; Y1250-K1254 HydrophobicContact CE2-CB 4.32Å; Y1250-K1254 HydrophobicContact CE2-CD 3.86Å; Y1250-K1254 PolarHBondContact O-N 2.77Å; R1251-K1254 PolarHBondContact O-N 2.72Å; G1252-K1254 PolarHBondContact O-N 3.26Å; K1254-A1256 VanDerWaalsContact C-N 3.31Å; K1254-A1256 HydrophobicContact CB-CB 4.21Å; K1254-A1256 PolarHBondContact O-N 3.2Å; K1254-P1257 VanDerWaalsContact C-CD 3.41Å; K1254-P1257 HydrophobicContact CB-CG 4.06Å; K1254-P1257 WeakPolarHBondContact O-CD 3.3Å; K1254-P1257 WeakPolarHBondContact O-CG 3.47Å; K1254-I1258 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1255 | V | 53.3 | Low | 53.4 | Low | 32.2 Ų | 32.2 | 76.5 Ų | 76.5 | 20% | 0.195 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -74.4 | -25.9 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | Y899 L1193 V1194 Y1250 R1253 P1257 I1258 V1259 | Y899-V1255 HydrophobicContact CD1-CG1 3.88Å; Y899-V1255 HydrophobicContact CG-CG1 4.47Å; L1193-V1255 HydrophobicContact CB-CG1 4.41Å; V1194-V1255 HydrophobicContact CG2-CG1 4.17Å; V1194-V1255 HydrophobicContact CG2-CG2 4.44Å; Y1250-V1255 HydrophobicContact CD1-CG2 3.77Å; Y1250-V1255 HydrophobicContact CE1-CG2 3.55Å; Y1250-V1255 PolarHBondContact O-N 3.2Å; R1253-V1255 HydrophobicContact CB-CG2 4.4Å; R1253-V1255 PolarHBondContact O-N 2.93Å; V1255-P1257 VanDerWaalsContact C-CD 3.43Å; V1255-P1257 VanDerWaalsContact O-N 3.16Å; V1255-I1258 HydrophobicContact CG1-CB 4.48Å; V1255-I1258 HydrophobicContact CG1-CD1 4.28Å; V1255-I1258 WeakPolarHBondContact O-CA 3.48Å; V1255-I1258 WeakPolarHBondContact O-CB 3.32Å; V1255-I1258 PolarHBondContact O-N 2.97Å; V1255-I1258 VanDerWaalsContact O-N 3.1Å; V1255-V1259 HydrophobicContact CG1-CG2 4.13Å; V1255-V1259 WeakPolarHBondContact O-CG2 3.28Å; V1255-V1259 PolarHBondContact O-N 3.02Å; V1255-V1259 VanDerWaalsContact O-N 3.07Å |
| 1256 | A | 48.4 | Very low | 53.5 | Low | 49.8 Ų | 49.8 | 75.5 Ų | 75.5 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -49 | -42.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y899 K1254 I1258 V1259 S1260 | Y899-A1256 HydrophobicContact CD1-CB 3.92Å; Y899-A1256 HydrophobicContact CE1-CB 4.22Å; Y899-A1256 HydrophobicContact CG-CB 4.31Å; K1254-A1256 VanDerWaalsContact C-N 3.31Å; K1254-A1256 HydrophobicContact CB-CB 4.21Å; K1254-A1256 PolarHBondContact O-N 3.2Å; A1256-I1258 VanDerWaalsContact C-N 3.3Å; A1256-I1258 PolarHBondContact O-N 3.14Å; A1256-V1259 CarbonylContact O-C 3.53Å; A1256-V1259 PolarHBondContact O-N 3.11Å; A1256-S1260 PolarHBondContact O-N 2.94Å; A1256-S1260 VanDerWaalsContact O-N 3.12Å; A1256-S1260 PolarHBondContact O-OG 2.88Å |
| 1257 | P | 48.7 | Very low | 53.7 | Low | 42.6 Ų | 42.6 | 72.7 Ų | 72.7 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.5 | -28.4 | 177.5 | -8.8 | 20 | 0 | 0 | 0 | 113.3 | K1254 V1255 V1259 S1260 I1261 M1603 L1611 | K1254-P1257 VanDerWaalsContact C-CD 3.41Å; K1254-P1257 HydrophobicContact CB-CG 4.06Å; K1254-P1257 WeakPolarHBondContact O-CD 3.3Å; K1254-P1257 WeakPolarHBondContact O-CG 3.47Å; V1255-P1257 VanDerWaalsContact C-CD 3.43Å; V1255-P1257 VanDerWaalsContact O-N 3.16Å; P1257-V1259 PolarHBondContact O-N 2.99Å; P1257-S1260 WeakPolarHBondContact CA-OG 3.18Å; P1257-S1260 PolarHBondContact O-N 3.08Å; P1257-S1260 PolarHBondContact O-OG 3.07Å; P1257-I1261 HydrophobicContact CB-CD1 4.42Å; P1257-I1261 WeakPolarHBondContact O-CB 3.38Å; P1257-I1261 VanDerWaalsContact O-CD1 3.29Å; P1257-I1261 WeakPolarHBondContact O-CD1 3.46Å; P1257-I1261 WeakPolarHBondContact O-CG1 3.33Å; P1257-I1261 PolarHBondContact O-N 3.15Å; P1257-I1261 VanDerWaalsContact O-N 3.12Å; P1257-M1603 HydrophobicContact CB-CG 4.39Å; P1257-L1611 HydrophobicContact CB-CD1 4.45Å |
| 1258 | I | 53.4 | Low | 54.4 | Low | 23.6 Ų | 23.6 | 71.3 Ų | 71.3 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.8 | -33.6 | -179.4 | -59.4 | 171.4 | 0 | 0 | 0 | 110.6 | L1193 V1194 K1254 V1255 A1256 S1260 I1261 W1266 L1611 W1613 | L1193-I1258 HydrophobicContact CB-CG2 3.65Å; L1193-I1258 HydrophobicContact CD1-CG2 4.26Å; L1193-I1258 HydrophobicContact CD2-CG2 4.36Å; V1194-I1258 HydrophobicContact CG2-CD1 4.26Å; K1254-I1258 WeakPolarHBondContact O-CD1 3.34Å; V1255-I1258 HydrophobicContact CG1-CB 4.48Å; V1255-I1258 HydrophobicContact CG1-CD1 4.28Å; V1255-I1258 WeakPolarHBondContact O-CA 3.48Å; V1255-I1258 WeakPolarHBondContact O-CB 3.32Å; V1255-I1258 PolarHBondContact O-N 2.97Å; V1255-I1258 VanDerWaalsContact O-N 3.1Å; A1256-I1258 VanDerWaalsContact C-N 3.3Å; A1256-I1258 PolarHBondContact O-N 3.14Å; I1258-S1260 VanDerWaalsContact C-N 3.28Å; I1258-S1260 PolarHBondContact O-N 3.34Å; I1258-I1261 PolarHBondContact O-N 3.21Å; I1258-W1266 HydrophobicContact CG2-CB 4.15Å; I1258-W1266 HydrophobicContact CG2-CG 4.39Å; I1258-L1611 HydrophobicContact CD1-CD1 4.26Å; I1258-L1611 HydrophobicContact CG1-CD1 4.49Å; I1258-W1613 HydrophobicContact CD1-CZ2 3.79Å; I1258-W1613 HydrophobicContact CG1-CZ2 4.14Å |
| 1259 | V | 51.8 | Low | 55.4 | Low | 51 Ų | 51 | 66.4 Ų | 66.4 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -84 | -21.3 | 179.8 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | Y899 V1190 L1193 V1255 A1256 P1257 I1261 G1262 | Y899-V1259 HydrophobicContact CD1-CG2 3.41Å; Y899-V1259 VanDerWaalsContact CD1-CG2 3.41Å; Y899-V1259 HydrophobicContact CD2-CG2 4.24Å; Y899-V1259 HydrophobicContact CE1-CB 3.88Å; Y899-V1259 HydrophobicContact CE1-CG1 3.92Å; Y899-V1259 VanDerWaalsContact CE1-CG1 3.48Å; Y899-V1259 HydrophobicContact CE1-CG2 3.96Å; Y899-V1259 HydrophobicContact CE2-CG1 4.02Å; Y899-V1259 HydrophobicContact CE2-CG2 4.35Å; Y899-V1259 HydrophobicContact CG-CG2 3.79Å; Y899-V1259 WeakPolarHBondContact OH-CB 3.44Å; Y899-V1259 WeakPolarHBondContact OH-CG1 3.47Å; V1190-V1259 HydrophobicContact CG1-CG2 4.37Å; V1190-V1259 HydrophobicContact CG2-CB 4.35Å; V1190-V1259 HydrophobicContact CG2-CG1 3.91Å; V1190-V1259 HydrophobicContact CG2-CG2 3.78Å; L1193-V1259 HydrophobicContact CD1-CG2 3.82Å; V1255-V1259 HydrophobicContact CG1-CG2 4.13Å; V1255-V1259 WeakPolarHBondContact O-CG2 3.28Å; V1255-V1259 PolarHBondContact O-N 3.02Å; V1255-V1259 VanDerWaalsContact O-N 3.07Å; A1256-V1259 CarbonylContact O-C 3.53Å; A1256-V1259 PolarHBondContact O-N 3.11Å; P1257-V1259 PolarHBondContact O-N 2.99Å; V1259-I1261 VanDerWaalsContact C-N 3.29Å; V1259-I1261 HydrophobicContact CG1-CD1 4.09Å; V1259-I1261 HydrophobicContact CG1-CG1 3.64Å; V1259-I1261 WeakPolarHBondContact O-CG1 3.17Å; V1259-I1261 PolarHBondContact O-N 3.24Å; V1259-I1261 VanDerWaalsContact O-N 3.14Å; V1259-G1262 PolarHBondContact O-N 2.99Å; V1259-G1262 VanDerWaalsContact O-N 3.12Å |
| 1260 | S | 50.1 | Low | 56.3 | Low | 60.8 Ų | 60.8 | 70 Ų | 70 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.1 | 0.2 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 113 | Y899 A1256 P1257 I1258 G1262 S1263 | Y899-S1260 PolarHBondContact OH-N 2.84Å; A1256-S1260 PolarHBondContact O-N 2.94Å; A1256-S1260 VanDerWaalsContact O-N 3.12Å; A1256-S1260 PolarHBondContact O-OG 2.88Å; P1257-S1260 WeakPolarHBondContact CA-OG 3.18Å; P1257-S1260 PolarHBondContact O-N 3.08Å; P1257-S1260 PolarHBondContact O-OG 3.07Å; I1258-S1260 VanDerWaalsContact C-N 3.28Å; I1258-S1260 PolarHBondContact O-N 3.34Å; S1260-G1262 VanDerWaalsContact C-N 3.3Å; S1260-G1262 PolarHBondContact O-N 3.15Å; S1260-S1263 PolarHBondContact O-N 2.85Å; S1260-S1263 VanDerWaalsContact O-N 3.15Å; S1260-S1263 PolarHBondContact O-OG 3.39Å |
| 1261 | I | 47.9 | Very low | 57.6 | Low | 58.2 Ų | 58.2 | 70.5 Ų | 70.5 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -85.9 | 60.8 | 176.3 | -64.4 | 168.6 | 0 | 0 | 0 | 110.7 | Y899 L1193 P1257 I1258 V1259 S1263 T1264 W1266 P1602 I1608 W1613 | Y899-I1261 WeakPolarHBondContact OH-CD1 3.37Å; L1193-I1261 HydrophobicContact CD1-CG2 4.3Å; L1193-I1261 HydrophobicContact CD2-CG2 4.26Å; P1257-I1261 HydrophobicContact CB-CD1 4.42Å; P1257-I1261 WeakPolarHBondContact O-CB 3.38Å; P1257-I1261 VanDerWaalsContact O-CD1 3.29Å; P1257-I1261 WeakPolarHBondContact O-CD1 3.46Å; P1257-I1261 WeakPolarHBondContact O-CG1 3.33Å; P1257-I1261 PolarHBondContact O-N 3.15Å; P1257-I1261 VanDerWaalsContact O-N 3.12Å; I1258-I1261 PolarHBondContact O-N 3.21Å; V1259-I1261 VanDerWaalsContact C-N 3.29Å; V1259-I1261 HydrophobicContact CG1-CD1 4.09Å; V1259-I1261 HydrophobicContact CG1-CG1 3.64Å; V1259-I1261 WeakPolarHBondContact O-CG1 3.17Å; V1259-I1261 PolarHBondContact O-N 3.24Å; V1259-I1261 VanDerWaalsContact O-N 3.14Å; I1261-S1263 VanDerWaalsContact C-N 3.34Å; I1261-S1263 PolarHBondContact O-N 2.79Å; I1261-S1263 VanDerWaalsContact O-N 3.08Å; I1261-T1264 WeakPolarHBondContact CG2-OG1 3.38Å; I1261-T1264 PolarHBondContact O-N 2.78Å; I1261-T1264 VanDerWaalsContact O-N 3.08Å; I1261-T1264 PolarHBondContact O-OG1 3.14Å; I1261-W1266 HydrophobicContact CG2-CB 3.75Å; I1261-W1266 HydrophobicContact CG2-CD2 4.34Å; I1261-W1266 HydrophobicContact CG2-CG 3.68Å; I1261-P1602 HydrophobicContact CD1-CB 4.17Å; I1261-P1602 HydrophobicContact CD1-CG 4.16Å; I1261-I1608 HydrophobicContact CB-CD1 4.47Å; I1261-I1608 HydrophobicContact CD1-CG2 4.27Å; I1261-I1608 HydrophobicContact CG1-CB 4.47Å; I1261-I1608 HydrophobicContact CG1-CD1 3.92Å; I1261-I1608 HydrophobicContact CG1-CG1 3.76Å; I1261-I1608 HydrophobicContact CG1-CG2 3.93Å; I1261-I1608 HydrophobicContact CG2-CD1 3.97Å; I1261-W1613 HydrophobicContact CD1-CH2 4.33Å; I1261-W1613 HydrophobicContact CD1-CZ2 4.07Å |
| 1262 | G | 48.4 | Very low | 59.1 | Low | 56.2 Ų | 56.2 | 61.3 Ų | 61.3 | 58% | 0.579 | 36% | 0.355 | S | S | * | . | trans | -63 | 25.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1259 S1260 T1264 S1267 | V1259-G1262 PolarHBondContact O-N 2.99Å; V1259-G1262 VanDerWaalsContact O-N 3.12Å; S1260-G1262 VanDerWaalsContact C-N 3.3Å; S1260-G1262 PolarHBondContact O-N 3.15Å; G1262-T1264 PolarHBondContact O-N 2.86Å; G1262-S1267 WeakPolarHBondContact O-CB 3.15Å | ||
| 1263 | S | 50.4 | Low | 60.8 | Low | 58.6 Ų | 58.6 | 60 Ų | 60 | 41% | 0.41 | 33% | 0.334 | S | S | . | . | trans | -70.7 | 68.4 | 175.9 | 84.4 | 0 | 0 | 0 | 0 | 112.6 | S1260 I1261 E1265 W1266 S1267 | S1260-S1263 PolarHBondContact O-N 2.85Å; S1260-S1263 VanDerWaalsContact O-N 3.15Å; S1260-S1263 PolarHBondContact O-OG 3.39Å; I1261-S1263 VanDerWaalsContact C-N 3.34Å; I1261-S1263 PolarHBondContact O-N 2.79Å; I1261-S1263 VanDerWaalsContact O-N 3.08Å; S1263-E1265 PolarHBondContact O-N 2.87Å; S1263-W1266 PolarHBondContact O-N 3.15Å; S1263-S1267 PolarHBondContact O-N 3.21Å; S1263-S1267 VanDerWaalsContact O-N 3.13Å; S1263-S1267 PolarHBondContact O-OG 3.4Å | ||
| 1264 | T | 56 | Low | 62.2 | Low | 83.4 Ų | 83.4 | 57.3 Ų | 57.3 | 51% | 0.512 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -50.3 | -177.4 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | I1261 G1262 W1266 S1267 I1608 | I1261-T1264 WeakPolarHBondContact CG2-OG1 3.38Å; I1261-T1264 PolarHBondContact O-N 2.78Å; I1261-T1264 VanDerWaalsContact O-N 3.08Å; I1261-T1264 PolarHBondContact O-OG1 3.14Å; G1262-T1264 PolarHBondContact O-N 2.86Å; T1264-W1266 PolarHBondContact O-N 3.43Å; T1264-S1267 WeakPolarHBondContact CA-OG 3.42Å; T1264-S1267 WeakPolarHBondContact O-CB 3.46Å; T1264-S1267 PolarHBondContact O-N 3.05Å; T1264-S1267 PolarHBondContact O-OG 3.16Å; T1264-S1267 VanDerWaalsContact O-OG 3.13Å; T1264-I1608 HydrophobicContact CG2-CD1 3.77Å; T1264-I1608 VanDerWaalsContact OG1-CD1 3.26Å; T1264-I1608 WeakPolarHBondContact OG1-CD1 3.29Å |
| 1265 | E | 60.2 | Low | 63.8 | Low | 104.8 Ų | 104.8 | 51.8 Ų | 51.8 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.8 | 179.6 | -66 | -167.9 | -176.7 | 0 | 0 | 115.2 | S1263 S1267 R1271 | S1263-E1265 PolarHBondContact O-N 2.87Å; E1265-S1267 VanDerWaalsContact C-N 3.31Å; E1265-R1271 VanDerWaalsContact CB-NH1 3.33Å; E1265-R1271 VanDerWaalsContact O-CD 3.28Å; E1265-R1271 WeakPolarHBondContact O-CD 3.34Å; E1265-R1271 PolarHBondContact O-NH1 3.17Å; E1265-R1271 IonicContact OE2-CZ 2.88Å; E1265-R1271 IonicContact OE2-NH1 3.6Å; E1265-R1271 PolarHBondContact OE2-NH1 3.23Å; E1265-R1271 IonicContact OE2-NH2 2.99Å; E1265-R1271 PolarHBondContact OE2-NH2 2.9Å |
| 1266 | W | 66.2 | Low | 65.4 | Low | 24.4 Ų | 24.4 | 50.3 Ų | 50.3 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -5.5 | -178.8 | -69 | 93 | 0 | 0 | 0 | 113.8 | L1193 I1196 I1258 I1261 S1263 T1264 D1268 L1272 I1275 W1613 A1614 A1617 N1618 | L1193-W1266 HydrophobicContact CD2-CB 4.39Å; L1193-W1266 HydrophobicContact CD2-CD2 4.31Å; L1193-W1266 HydrophobicContact CD2-CE3 3.61Å; L1193-W1266 HydrophobicContact CD2-CZ3 4.19Å; I1196-W1266 HydrophobicContact CG2-CZ3 4.34Å; I1258-W1266 HydrophobicContact CG2-CB 4.15Å; I1258-W1266 HydrophobicContact CG2-CG 4.39Å; I1261-W1266 HydrophobicContact CG2-CB 3.75Å; I1261-W1266 HydrophobicContact CG2-CD2 4.34Å; I1261-W1266 HydrophobicContact CG2-CG 3.68Å; S1263-W1266 PolarHBondContact O-N 3.15Å; T1264-W1266 PolarHBondContact O-N 3.43Å; W1266-D1268 VanDerWaalsContact C-N 3.32Å; W1266-L1272 HydrophobicContact CE3-CD2 3.91Å; W1266-L1272 HydrophobicContact CZ3-CD2 4.25Å; W1266-L1272 WeakPolarHBondContact O-CD1 3.28Å; W1266-I1275 HydrophobicContact CE3-CD1 4.22Å; W1266-I1275 HydrophobicContact CH2-CD1 4.02Å; W1266-I1275 HydrophobicContact CZ3-CD1 3.66Å; W1266-I1275 VanDerWaalsContact CZ3-CD1 3.46Å; W1266-W1613 HydrophobicContact CE3-CZ3 4.45Å; W1266-W1613 HydrophobicContact CH2-CH2 4.42Å; W1266-W1613 AromaticContact CH2-CZ3 3.86Å; W1266-W1613 HydrophobicContact CH2-CZ3 3.91Å; W1266-W1613 HydrophobicContact CZ3-CH2 4.35Å; W1266-W1613 AromaticContact CZ3-CZ3 3.84Å; W1266-W1613 HydrophobicContact CZ3-CZ3 3.92Å; W1266-A1614 HydrophobicContact CH2-CB 4.21Å; W1266-A1614 HydrophobicContact CZ2-CB 3.88Å; W1266-A1617 HydrophobicContact CH2-CB 4.25Å; W1266-N1618 VanDerWaalsContact CZ2-ND2 3.29Å; W1266-N1618 WeakPolarHBondContact CZ2-ND2 3.3Å |
| 1267 | S | 66.4 | Low | 67.1 | Low | 61.6 Ų | 61.6 | 48.6 Ų | 48.6 | 43% | 0.431 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -77 | -19.2 | 172.3 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | G1262 S1263 T1264 E1265 P1269 | G1262-S1267 WeakPolarHBondContact O-CB 3.15Å; S1263-S1267 PolarHBondContact O-N 3.21Å; S1263-S1267 VanDerWaalsContact O-N 3.13Å; S1263-S1267 PolarHBondContact O-OG 3.4Å; T1264-S1267 WeakPolarHBondContact CA-OG 3.42Å; T1264-S1267 WeakPolarHBondContact O-CB 3.46Å; T1264-S1267 PolarHBondContact O-N 3.05Å; T1264-S1267 PolarHBondContact O-OG 3.16Å; T1264-S1267 VanDerWaalsContact O-OG 3.13Å; E1265-S1267 VanDerWaalsContact C-N 3.31Å; S1267-P1269 VanDerWaalsContact O-CD 3.25Å; S1267-P1269 WeakPolarHBondContact O-CD 3.36Å; S1267-P1269 VanDerWaalsContact O-N 3.15Å |
| 1268 | D | 73.2 | Confident | 68.9 | Low | 61 Ų | 61 | 47.1 Ų | 47.1 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | trans | -72.1 | 111.6 | -179.6 | 175.2 | 19.2 | 0 | 0 | 0 | 111.7 | W1266 R1270 R1271 L1272 | W1266-D1268 VanDerWaalsContact C-N 3.32Å; D1268-R1270 PolarHBondContact O-N 3.17Å; D1268-R1270 VanDerWaalsContact OD1-CB 3.26Å; D1268-R1270 WeakPolarHBondContact OD1-CB 3.22Å; D1268-R1270 WeakPolarHBondContact OD1-CD 3.33Å; D1268-R1270 VanDerWaalsContact OD1-CG 3.28Å; D1268-R1270 WeakPolarHBondContact OD1-CG 3.29Å; D1268-R1270 PolarHBondContact OD1-N 3.1Å; D1268-R1271 HydrophobicContact CB-CB 4.2Å; D1268-R1271 PolarHBondContact O-N 2.94Å; D1268-R1271 VanDerWaalsContact O-N 3.17Å; D1268-R1271 VanDerWaalsContact OD2-CB 3.27Å; D1268-R1271 WeakPolarHBondContact OD2-CB 3.36Å; D1268-R1271 PolarHBondContact OD2-N 3Å; D1268-L1272 WeakPolarHBondContact O-CG 3.3Å; D1268-L1272 PolarHBondContact O-N 3.31Å; D1268-L1272 VanDerWaalsContact O-N 3.14Å | ||
| 1269 | P | 73.8 | Confident | 70.6 | Confident | 62.2 Ų | 62.2 | 46.2 Ų | 46.2 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -24.7 | 179.6 | 27.2 | -35 | 0 | 0 | 0 | 112.5 | S1267 L1272 N1273 | S1267-P1269 VanDerWaalsContact O-CD 3.25Å; S1267-P1269 WeakPolarHBondContact O-CD 3.36Å; S1267-P1269 VanDerWaalsContact O-N 3.15Å; P1269-L1272 PolarHBondContact O-N 2.99Å; P1269-N1273 VanDerWaalsContact O-CB 3.3Å; P1269-N1273 WeakPolarHBondContact O-CB 3.38Å; P1269-N1273 PolarHBondContact O-N 3.22Å; P1269-N1273 VanDerWaalsContact O-N 3.07Å; P1269-N1273 PolarHBondContact O-ND2 3.12Å; P1269-N1273 PolarHBondContact O-OD1 3.1Å; P1269-N1273 VanDerWaalsContact O-OD1 3.11Å |
| 1270 | R | 75.8 | Confident | 72.4 | Confident | 128.6 Ų | 128.6 | 43.8 Ų | 43.8 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.6 | -46.5 | 179 | -56.2 | 168.4 | -179.7 | -163.5 | -5.5 | 110.5 | D1268 L1272 N1273 Q1274 D1642 | D1268-R1270 PolarHBondContact O-N 3.17Å; D1268-R1270 VanDerWaalsContact OD1-CB 3.26Å; D1268-R1270 WeakPolarHBondContact OD1-CB 3.22Å; D1268-R1270 WeakPolarHBondContact OD1-CD 3.33Å; D1268-R1270 VanDerWaalsContact OD1-CG 3.28Å; D1268-R1270 WeakPolarHBondContact OD1-CG 3.29Å; D1268-R1270 PolarHBondContact OD1-N 3.1Å; R1270-L1272 VanDerWaalsContact C-N 3.35Å; R1270-L1272 PolarHBondContact O-N 3.01Å; R1270-N1273 WeakPolarHBondContact O-CB 3.35Å; R1270-N1273 PolarHBondContact O-N 3.11Å; R1270-Q1274 WeakPolarHBondContact O-CG 3.24Å; R1270-Q1274 PolarHBondContact O-N 3.12Å; R1270-D1642 VanDerWaalsContact CZ-CG 3.4Å; R1270-D1642 IonicContact CZ-OD1 3.83Å; R1270-D1642 IonicContact CZ-OD2 3.26Å; R1270-D1642 IonicContact NE-OD1 3.21Å; R1270-D1642 IonicContact NE-OD2 3.34Å; R1270-D1642 PolarHBondContact NE-OD2 3.28Å; R1270-D1642 VanDerWaalsContact NH1-CG 3.29Å; R1270-D1642 IonicContact NH1-OD1 3.2Å; R1270-D1642 PolarHBondContact NH1-OD1 3.09Å; R1270-D1642 IonicContact NH1-OD2 3.35Å; R1270-D1642 PolarHBondContact NH1-OD2 2.87Å; R1270-D1642 IonicContact NH2-OD1 3.2Å; R1270-D1642 PolarHBondContact NH2-OD1 3.34Å; R1270-D1642 IonicContact NH2-OD2 3.01Å; R1270-D1642 PolarHBondContact NH2-OD2 3.04Å |
| 1271 | R | 80.4 | Confident | 74.1 | Confident | 52.4 Ų | 52.4 | 42.3 Ų | 42.3 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.8 | -170.2 | -175.5 | -173.7 | 157.7 | -7.5 | 111.6 | E1265 D1268 N1273 Q1274 I1275 N1618 L1621 | E1265-R1271 VanDerWaalsContact CB-NH1 3.33Å; E1265-R1271 VanDerWaalsContact O-CD 3.28Å; E1265-R1271 WeakPolarHBondContact O-CD 3.34Å; E1265-R1271 PolarHBondContact O-NH1 3.17Å; E1265-R1271 IonicContact OE2-CZ 2.88Å; E1265-R1271 IonicContact OE2-NH1 3.6Å; E1265-R1271 PolarHBondContact OE2-NH1 3.23Å; E1265-R1271 IonicContact OE2-NH2 2.99Å; E1265-R1271 PolarHBondContact OE2-NH2 2.9Å; D1268-R1271 HydrophobicContact CB-CB 4.2Å; D1268-R1271 PolarHBondContact O-N 2.94Å; D1268-R1271 VanDerWaalsContact O-N 3.17Å; D1268-R1271 VanDerWaalsContact OD2-CB 3.27Å; D1268-R1271 WeakPolarHBondContact OD2-CB 3.36Å; D1268-R1271 PolarHBondContact OD2-N 3Å; R1271-N1273 VanDerWaalsContact C-N 3.32Å; R1271-N1273 PolarHBondContact O-N 3.11Å; R1271-Q1274 WeakPolarHBondContact O-CB 3.33Å; R1271-Q1274 PolarHBondContact O-N 2.94Å; R1271-Q1274 VanDerWaalsContact O-N 3.13Å; R1271-I1275 HydrophobicContact CG-CD1 4.14Å; R1271-I1275 VanDerWaalsContact O-CG1 3.3Å; R1271-I1275 WeakPolarHBondContact O-CG1 3.25Å; R1271-I1275 PolarHBondContact O-N 3.16Å; R1271-N1618 PolarHBondContact NH2-OD1 3.24Å; R1271-L1621 HydrophobicContact CG-CD2 4.25Å |
| 1272 | L | 82 | Confident | 76 | Confident | 0.6 Ų | 0.6 | 43 Ų | 43 | 0% | 0.003 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 176.1 | -64.5 | 176.6 | 0 | 0 | 0 | 111.8 | I1189 K1192 L1193 I1196 W1266 D1268 P1269 R1270 Q1274 I1275 I1276 | I1189-L1272 HydrophobicContact CB-CD1 4.4Å; I1189-L1272 HydrophobicContact CG1-CD1 4.23Å; I1189-L1272 HydrophobicContact CG2-CD1 4.04Å; K1192-L1272 HydrophobicContact CB-CB 4.47Å; K1192-L1272 HydrophobicContact CB-CD1 4.32Å; K1192-L1272 HydrophobicContact CD-CB 4.24Å; K1192-L1272 HydrophobicContact CD-CD1 4.43Å; L1193-L1272 HydrophobicContact CD2-CD2 3.68Å; L1193-L1272 HydrophobicContact CG-CD2 4.26Å; I1196-L1272 HydrophobicContact CD1-CB 4.37Å; I1196-L1272 HydrophobicContact CD1-CD2 3.78Å; W1266-L1272 HydrophobicContact CE3-CD2 3.91Å; W1266-L1272 HydrophobicContact CZ3-CD2 4.25Å; W1266-L1272 WeakPolarHBondContact O-CD1 3.28Å; D1268-L1272 WeakPolarHBondContact O-CG 3.3Å; D1268-L1272 PolarHBondContact O-N 3.31Å; D1268-L1272 VanDerWaalsContact O-N 3.14Å; P1269-L1272 PolarHBondContact O-N 2.99Å; R1270-L1272 VanDerWaalsContact C-N 3.35Å; R1270-L1272 PolarHBondContact O-N 3.01Å; L1272-Q1274 PolarHBondContact O-N 2.86Å; L1272-I1275 PolarHBondContact O-N 3.07Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.33Å; L1272-I1276 PolarHBondContact O-N 3.09Å |
| 1273 | N | 84 | Confident | 77.8 | Confident | 28.2 Ų | 28.2 | 40.3 Ų | 40.3 | 15% | 0.151 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.7 | -68 | -7.3 | 0 | 0 | 0 | 111.7 | K1192 P1269 R1270 R1271 I1275 I1276 V1277 L1452 F1640 | K1192-N1273 WeakPolarHBondContact CE-OD1 3.43Å; K1192-N1273 PolarHBondContact NZ-OD1 3.16Å; P1269-N1273 VanDerWaalsContact O-CB 3.3Å; P1269-N1273 WeakPolarHBondContact O-CB 3.38Å; P1269-N1273 PolarHBondContact O-N 3.22Å; P1269-N1273 VanDerWaalsContact O-N 3.07Å; P1269-N1273 PolarHBondContact O-ND2 3.12Å; P1269-N1273 PolarHBondContact O-OD1 3.1Å; P1269-N1273 VanDerWaalsContact O-OD1 3.11Å; R1270-N1273 WeakPolarHBondContact O-CB 3.35Å; R1270-N1273 PolarHBondContact O-N 3.11Å; R1271-N1273 VanDerWaalsContact C-N 3.32Å; R1271-N1273 PolarHBondContact O-N 3.11Å; N1273-I1275 VanDerWaalsContact C-N 3.34Å; N1273-I1275 PolarHBondContact O-N 2.98Å; N1273-I1276 PolarHBondContact O-N 3.04Å; N1273-V1277 VanDerWaalsContact O-CG2 3.29Å; N1273-V1277 WeakPolarHBondContact O-CG2 3.28Å; N1273-V1277 PolarHBondContact O-N 3.18Å; N1273-L1452 HydrophobicContact CB-CD2 3.5Å; N1273-L1452 VanDerWaalsContact CB-CD2 3.47Å; N1273-L1452 WeakPolarHBondContact OD1-CD2 3.29Å; N1273-F1640 HydrophobicContact CB-CB 4.11Å |
| 1274 | Q | 83.6 | Confident | 79.6 | Confident | 40.4 Ų | 40.4 | 38.6 Ų | 38.6 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.1 | -69.9 | 175.1 | 8.8 | 0 | 0 | 112 | R1270 R1271 L1272 V1277 S1278 L1621 R1625 F1640 D1641 | R1270-Q1274 WeakPolarHBondContact O-CG 3.24Å; R1270-Q1274 PolarHBondContact O-N 3.12Å; R1271-Q1274 WeakPolarHBondContact O-CB 3.33Å; R1271-Q1274 PolarHBondContact O-N 2.94Å; R1271-Q1274 VanDerWaalsContact O-N 3.13Å; L1272-Q1274 PolarHBondContact O-N 2.86Å; Q1274-V1277 PolarHBondContact O-N 3.17Å; Q1274-S1278 WeakPolarHBondContact O-CB 3.34Å; Q1274-S1278 PolarHBondContact O-N 3.09Å; Q1274-S1278 PolarHBondContact O-OG 2.98Å; Q1274-L1621 HydrophobicContact CB-CD1 3.65Å; Q1274-R1625 VanDerWaalsContact OE1-CZ 3.32Å; Q1274-F1640 HydrophobicContact CG-CB 4.28Å; Q1274-F1640 HydrophobicContact CG-CD1 4.17Å; Q1274-F1640 HydrophobicContact CG-CD2 3.88Å; Q1274-F1640 HydrophobicContact CG-CG 4.43Å; Q1274-D1641 PolarHBondContact NE2-OD1 3.16Å; Q1274-D1641 PolarHBondContact NE2-OD2 2.91Å |
| 1275 | I | 85.5 | Confident | 80.9 | Confident | 7.8 Ų | 7.8 | 38.6 Ų | 38.6 | 4% | 0.04 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 177.6 | -66.9 | 166.5 | 0 | 0 | 0 | 110.3 | I1196 W1266 R1271 L1272 N1273 V1277 S1278 L1279 A1617 L1621 | I1196-I1275 HydrophobicContact CB-CG2 4.47Å; I1196-I1275 HydrophobicContact CD1-CB 4.1Å; I1196-I1275 HydrophobicContact CD1-CG2 3.87Å; I1196-I1275 HydrophobicContact CG1-CG2 3.92Å; I1196-I1275 HydrophobicContact CG2-CG2 3.76Å; W1266-I1275 HydrophobicContact CE3-CD1 4.22Å; W1266-I1275 HydrophobicContact CH2-CD1 4.02Å; W1266-I1275 HydrophobicContact CZ3-CD1 3.66Å; W1266-I1275 VanDerWaalsContact CZ3-CD1 3.46Å; R1271-I1275 HydrophobicContact CG-CD1 4.14Å; R1271-I1275 VanDerWaalsContact O-CG1 3.3Å; R1271-I1275 WeakPolarHBondContact O-CG1 3.25Å; R1271-I1275 PolarHBondContact O-N 3.16Å; L1272-I1275 PolarHBondContact O-N 3.07Å; N1273-I1275 VanDerWaalsContact C-N 3.34Å; N1273-I1275 PolarHBondContact O-N 2.98Å; I1275-V1277 VanDerWaalsContact C-N 3.34Å; I1275-V1277 PolarHBondContact O-N 3.15Å; I1275-S1278 WeakPolarHBondContact CA-OG 3.32Å; I1275-S1278 PolarHBondContact O-N 3.05Å; I1275-S1278 VanDerWaalsContact O-N 3.15Å; I1275-S1278 PolarHBondContact O-OG 3.06Å; I1275-L1279 HydrophobicContact CG2-CD1 3.82Å; I1275-L1279 HydrophobicContact CG2-CG 4.27Å; I1275-L1279 WeakPolarHBondContact O-CG 3.34Å; I1275-L1279 PolarHBondContact O-N 2.96Å; I1275-A1617 HydrophobicContact CG2-CB 4.03Å; I1275-L1621 HydrophobicContact CD1-CD2 4.26Å; I1275-L1621 HydrophobicContact CG1-CB 4.24Å; I1275-L1621 HydrophobicContact CG1-CD1 4.11Å; I1275-L1621 HydrophobicContact CG1-CD2 3.74Å; I1275-L1621 HydrophobicContact CG1-CG 4.24Å |
| 1276 | I | 86.5 | Confident | 82 | Confident | 0.6 Ų | 0.6 | 35.2 Ų | 35.2 | 0% | 0.003 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 178.7 | -68.9 | 165.6 | 0 | 0 | 0 | 111 | K1192 L1195 I1196 L1272 N1273 S1278 L1279 L1280 F1446 L1452 | K1192-I1276 HydrophobicContact CB-CD1 3.92Å; K1192-I1276 HydrophobicContact CD-CD1 4.21Å; K1192-I1276 HydrophobicContact CG-CD1 3.69Å; L1195-I1276 HydrophobicContact CD2-CD1 4.32Å; I1196-I1276 HydrophobicContact CD1-CD1 4.35Å; I1196-I1276 HydrophobicContact CD1-CG1 3.95Å; I1196-I1276 HydrophobicContact CG1-CD1 4.33Å; I1196-I1276 HydrophobicContact CG1-CG1 3.65Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.33Å; L1272-I1276 PolarHBondContact O-N 3.09Å; N1273-I1276 PolarHBondContact O-N 3.04Å; I1276-S1278 VanDerWaalsContact C-N 3.33Å; I1276-S1278 PolarHBondContact O-N 2.92Å; I1276-L1279 PolarHBondContact O-N 3.12Å; I1276-L1280 HydrophobicContact CG2-CD1 3.95Å; I1276-L1280 HydrophobicContact CG2-CG 4.34Å; I1276-L1280 WeakPolarHBondContact O-CB 3.31Å; I1276-L1280 VanDerWaalsContact O-CG 3.29Å; I1276-L1280 WeakPolarHBondContact O-CG 3.31Å; I1276-L1280 PolarHBondContact O-N 3.1Å; I1276-F1446 HydrophobicContact CG2-CE1 4.3Å; I1276-L1452 HydrophobicContact CB-CD1 4.23Å; I1276-L1452 HydrophobicContact CG2-CD1 3.66Å |
| 1277 | V | 85.7 | Confident | 82.8 | Confident | 12.6 Ų | 12.6 | 34 Ų | 34 | 8% | 0.076 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | N1273 Q1274 I1275 L1280 S1281 L1439 L1447 L1452 F1624 F1631 L1638 F1640 | N1273-V1277 VanDerWaalsContact O-CG2 3.29Å; N1273-V1277 WeakPolarHBondContact O-CG2 3.28Å; N1273-V1277 PolarHBondContact O-N 3.18Å; Q1274-V1277 PolarHBondContact O-N 3.17Å; I1275-V1277 VanDerWaalsContact C-N 3.34Å; I1275-V1277 PolarHBondContact O-N 3.15Å; V1277-L1280 PolarHBondContact O-N 3.01Å; V1277-S1281 PolarHBondContact O-N 3.09Å; V1277-S1281 VanDerWaalsContact O-N 3.11Å; V1277-L1439 HydrophobicContact CG1-CD2 3.96Å; V1277-L1447 HydrophobicContact CG2-CD2 4.49Å; V1277-L1452 HydrophobicContact CG2-CD1 4.39Å; V1277-F1624 HydrophobicContact CG1-CE1 4.43Å; V1277-F1624 HydrophobicContact CG1-CE2 4.09Å; V1277-F1624 HydrophobicContact CG1-CZ 3.87Å; V1277-F1631 HydrophobicContact CG1-CE1 4.03Å; V1277-F1631 HydrophobicContact CG1-CZ 4.01Å; V1277-L1638 HydrophobicContact CG1-CD1 4.38Å; V1277-L1638 HydrophobicContact CG1-CD2 4.49Å; V1277-L1638 HydrophobicContact CG2-CD2 3.8Å; V1277-F1640 HydrophobicContact CB-CE1 4.03Å; V1277-F1640 HydrophobicContact CB-CZ 3.78Å; V1277-F1640 HydrophobicContact CG1-CD1 4.38Å; V1277-F1640 HydrophobicContact CG1-CE1 4.25Å; V1277-F1640 HydrophobicContact CG1-CE2 4.1Å; V1277-F1640 HydrophobicContact CG1-CZ 3.34Å; V1277-F1640 HydrophobicContact CG2-CB 4.47Å; V1277-F1640 HydrophobicContact CG2-CD1 4.18Å; V1277-F1640 HydrophobicContact CG2-CE1 4.32Å; V1277-F1640 HydrophobicContact CG2-CZ 4.09Å |
| 1278 | S | 86.1 | Confident | 83.4 | Confident | 12.8 Ų | 12.8 | 32.5 Ų | 32.5 | 9% | 0.09 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 112.6 | Q1274 I1275 I1276 S1281 H1282 F1624 | Q1274-S1278 WeakPolarHBondContact O-CB 3.34Å; Q1274-S1278 PolarHBondContact O-N 3.09Å; Q1274-S1278 PolarHBondContact O-OG 2.98Å; I1275-S1278 WeakPolarHBondContact CA-OG 3.32Å; I1275-S1278 PolarHBondContact O-N 3.05Å; I1275-S1278 VanDerWaalsContact O-N 3.15Å; I1275-S1278 PolarHBondContact O-OG 3.06Å; I1276-S1278 VanDerWaalsContact C-N 3.33Å; I1276-S1278 PolarHBondContact O-N 2.92Å; S1278-S1281 WeakPolarHBondContact O-CB 3.38Å; S1278-S1281 PolarHBondContact O-N 3.33Å; S1278-S1281 PolarHBondContact O-OG 3.09Å; S1278-H1282 PolarHBondContact O-N 3.19Å; S1278-F1624 VanDerWaalsContact CB-CB 3.48Å |
| 1279 | L | 88.6 | Confident | 83.7 | Confident | 4.4 Ų | 4.4 | 33.5 Ų | 33.5 | 2% | 0.023 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.9 | -71.2 | 171.8 | 0 | 0 | 0 | 111.3 | I1196 M1199 A1200 M1203 I1275 I1276 S1281 H1282 W1283 I1620 | I1196-L1279 HydrophobicContact CB-CD1 4.39Å; I1196-L1279 HydrophobicContact CG1-CD1 4.37Å; I1196-L1279 HydrophobicContact CG2-CD1 4.02Å; M1199-L1279 HydrophobicContact CB-CD1 4.09Å; M1199-L1279 HydrophobicContact CE-CB 3.92Å; A1200-L1279 HydrophobicContact CB-CD2 4.44Å; M1203-L1279 HydrophobicContact CE-CD2 4.03Å; M1203-L1279 HydrophobicContact SD-CD2 4.13Å; I1275-L1279 HydrophobicContact CG2-CD1 3.82Å; I1275-L1279 HydrophobicContact CG2-CG 4.27Å; I1275-L1279 WeakPolarHBondContact O-CG 3.34Å; I1275-L1279 PolarHBondContact O-N 2.96Å; I1276-L1279 PolarHBondContact O-N 3.12Å; L1279-S1281 VanDerWaalsContact C-N 3.28Å; L1279-S1281 PolarHBondContact O-N 3.24Å; L1279-H1282 PolarHBondContact O-N 3.19Å; L1279-H1282 VanDerWaalsContact O-N 3.14Å; L1279-W1283 VanDerWaalsContact O-CD1 3.29Å; L1279-W1283 PolarHBondContact O-N 3.25Å; L1279-I1620 HydrophobicContact CD2-CD1 3.72Å; L1279-I1620 HydrophobicContact CD2-CG2 4.41Å |
| 1280 | L | 88.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -36.4 | 175 | -75.1 | 172.3 | 0 | 0 | 0 | 112.1 | M1199 L1234 I1276 V1277 H1282 W1283 R1284 L1439 F1443 F1446 L1447 | M1199-L1280 HydrophobicContact CE-CD2 3.69Å; M1199-L1280 HydrophobicContact CE-CG 3.96Å; L1234-L1280 HydrophobicContact CD2-CD2 3.58Å; L1234-L1280 VanDerWaalsContact CD2-CD2 3.5Å; I1276-L1280 HydrophobicContact CG2-CD1 3.95Å; I1276-L1280 HydrophobicContact CG2-CG 4.34Å; I1276-L1280 WeakPolarHBondContact O-CB 3.31Å; I1276-L1280 VanDerWaalsContact O-CG 3.29Å; I1276-L1280 WeakPolarHBondContact O-CG 3.31Å; I1276-L1280 PolarHBondContact O-N 3.1Å; V1277-L1280 PolarHBondContact O-N 3.01Å; L1280-H1282 VanDerWaalsContact C-N 3.29Å; L1280-H1282 PolarHBondContact O-N 3.02Å; L1280-W1283 PolarHBondContact O-N 3.14Å; L1280-R1284 PolarHBondContact O-N 3.28Å; L1280-L1439 HydrophobicContact CB-CD1 4.43Å; L1280-L1439 HydrophobicContact CB-CD2 4.12Å; L1280-F1443 HydrophobicContact CB-CD2 4.09Å; L1280-F1443 HydrophobicContact CB-CE2 4.15Å; L1280-F1443 HydrophobicContact CD2-CD1 4.36Å; L1280-F1443 HydrophobicContact CD2-CD2 3.91Å; L1280-F1443 HydrophobicContact CD2-CE1 4.4Å; L1280-F1443 HydrophobicContact CD2-CE2 3.95Å; L1280-F1443 HydrophobicContact CD2-CG 4.12Å; L1280-F1443 HydrophobicContact CD2-CZ 4.2Å; L1280-F1443 HydrophobicContact CG-CD2 4.41Å; L1280-F1443 VanDerWaalsContact O-CE2 3.23Å; L1280-F1443 WeakPolarHBondContact O-CE2 3.35Å; L1280-F1446 HydrophobicContact CD1-CD1 3.88Å; L1280-F1446 HydrophobicContact CD1-CE1 3.9Å; L1280-F1446 HydrophobicContact CD2-CD1 4.05Å; L1280-F1446 HydrophobicContact CD2-CE1 3.91Å; L1280-F1446 HydrophobicContact CD2-CZ 4.41Å; L1280-F1446 HydrophobicContact CG-CD1 4.4Å; L1280-F1446 HydrophobicContact CG-CE1 4.32Å; L1280-L1447 HydrophobicContact CD1-CD2 3.55Å; L1280-L1447 HydrophobicContact CD1-CG 4.22Å |
| 1281 | S | 86.2 | Confident | 83.7 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 176.7 | 94.4 | 0 | 0 | 0 | 0 | 112.6 | V1277 S1278 L1279 R1284 E1285 | V1277-S1281 PolarHBondContact O-N 3.09Å; V1277-S1281 VanDerWaalsContact O-N 3.11Å; S1278-S1281 WeakPolarHBondContact O-CB 3.38Å; S1278-S1281 PolarHBondContact O-N 3.33Å; S1278-S1281 PolarHBondContact O-OG 3.09Å; L1279-S1281 VanDerWaalsContact C-N 3.28Å; L1279-S1281 PolarHBondContact O-N 3.24Å; S1281-R1284 WeakPolarHBondContact O-CB 3.45Å; S1281-E1285 PolarHBondContact O-N 2.94Å |
| 1282 | H | 87.5 | Confident | 83.4 | Confident | 72.4 Ų | 72.4 | 34.3 Ų | 34.3 | 34% | 0.335 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -78.5 | -38.1 | 176.4 | -140.9 | 30.5 | 0 | 0 | 0 | 112.2 | M1203 S1278 L1279 L1280 R1284 E1285 I1286 | M1203-H1282 WeakPolarHBondContact CE-CD2 3.4Å; M1203-H1282 HydrophobicContact SD-CB 4.41Å; S1278-H1282 PolarHBondContact O-N 3.19Å; L1279-H1282 PolarHBondContact O-N 3.19Å; L1279-H1282 VanDerWaalsContact O-N 3.14Å; L1280-H1282 VanDerWaalsContact C-N 3.29Å; L1280-H1282 PolarHBondContact O-N 3.02Å; H1282-R1284 PolarHBondContact O-N 3.16Å; H1282-E1285 IonicContact CE1-OE2 3.37Å; H1282-E1285 PolarHBondContact CE1-OE2 3.13Å; H1282-E1285 IonicContact CG-OE2 3.06Å; H1282-E1285 IonicContact ND1-OE2 3.46Å; H1282-E1285 PolarHBondContact ND1-OE2 3.05Å; H1282-E1285 WeakPolarHBondContact O-CA 3.42Å; H1282-E1285 VanDerWaalsContact O-CB 3.31Å; H1282-E1285 WeakPolarHBondContact O-CB 3.33Å; H1282-E1285 PolarHBondContact O-N 3.2Å; H1282-I1286 WeakPolarHBondContact O-CG1 3.36Å; H1282-I1286 PolarHBondContact O-N 3.19Å; H1282-I1286 VanDerWaalsContact O-N 3.1Å |
| 1283 | W | 87.3 | Confident | 83.1 | Confident | 0.4 Ų | 0.4 | 35 Ų | 35 | 0% | 0.002 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -31.6 | 172.9 | -87.2 | 97.1 | 0 | 0 | 0 | 112.7 | M1199 A1202 M1203 L1208 L1234 A1237 L1238 L1279 L1280 E1285 I1286 L1287 F1443 | M1199-W1283 VanDerWaalsContact CE-CD1 3.43Å; M1199-W1283 HydrophobicContact CE-CG 4.07Å; M1199-W1283 WeakPolarHBondContact O-CZ2 3.28Å; M1199-W1283 PolarHBondContact O-NE1 2.89Å; A1202-W1283 HydrophobicContact CB-CH2 3.96Å; A1202-W1283 HydrophobicContact CB-CZ2 3.86Å; M1203-W1283 HydrophobicContact CB-CZ2 4.41Å; M1203-W1283 HydrophobicContact CG-CD2 4.31Å; M1203-W1283 VanDerWaalsContact CG-CE2 3.46Å; M1203-W1283 HydrophobicContact CG-CH2 4.32Å; M1203-W1283 HydrophobicContact CG-CZ2 3.54Å; M1203-W1283 VanDerWaalsContact CG-CZ2 3.45Å; L1208-W1283 HydrophobicContact CD1-CH2 4.35Å; L1208-W1283 HydrophobicContact CD1-CZ3 4.3Å; L1208-W1283 HydrophobicContact CD2-CH2 4.26Å; L1208-W1283 HydrophobicContact CD2-CZ3 4.22Å; L1234-W1283 HydrophobicContact CD1-CB 4.06Å; L1234-W1283 HydrophobicContact CD1-CD2 3.46Å; L1234-W1283 VanDerWaalsContact CD1-CD2 3.46Å; L1234-W1283 HydrophobicContact CD1-CE3 3.5Å; L1234-W1283 VanDerWaalsContact CD1-CE3 3.49Å; L1234-W1283 HydrophobicContact CD1-CG 3.72Å; L1234-W1283 HydrophobicContact CD1-CZ3 4.19Å; A1237-W1283 HydrophobicContact CB-CZ3 4.37Å; L1238-W1283 HydrophobicContact CD2-CH2 4.08Å; L1238-W1283 HydrophobicContact CD2-CZ2 3.83Å; L1279-W1283 VanDerWaalsContact O-CD1 3.29Å; L1279-W1283 PolarHBondContact O-N 3.25Å; L1280-W1283 PolarHBondContact O-N 3.14Å; W1283-E1285 VanDerWaalsContact C-N 3.32Å; W1283-E1285 PolarHBondContact O-N 3.26Å; W1283-I1286 HydrophobicContact CD2-CD1 4.48Å; W1283-I1286 HydrophobicContact CE3-CB 4.46Å; W1283-I1286 HydrophobicContact CE3-CD1 4.47Å; W1283-I1286 HydrophobicContact CE3-CG2 4.4Å; W1283-I1286 HydrophobicContact CZ3-CG2 4.31Å; W1283-I1286 PolarHBondContact O-N 3.11Å; W1283-L1287 HydrophobicContact CE3-CG 4.44Å; W1283-L1287 WeakPolarHBondContact O-CB 3.31Å; W1283-L1287 VanDerWaalsContact O-CG 3.24Å; W1283-L1287 WeakPolarHBondContact O-CG 3.36Å; W1283-L1287 PolarHBondContact O-N 3.2Å; W1283-F1443 HydrophobicContact CB-CZ 4.28Å |
| 1284 | R | 87.2 | Confident | 82.7 | Confident | 23.2 Ų | 23.2 | 38.7 Ų | 38.7 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 170.5 | -174.6 | 177.6 | 65.8 | 163 | 8.6 | 111.8 | L1280 S1281 H1282 S1288 P1434 M1435 I1437 L1439 Y1442 F1443 | L1280-R1284 PolarHBondContact O-N 3.28Å; S1281-R1284 WeakPolarHBondContact O-CB 3.45Å; H1282-R1284 PolarHBondContact O-N 3.16Å; R1284-S1288 VanDerWaalsContact O-CB 3.3Å; R1284-S1288 WeakPolarHBondContact O-CB 3.36Å; R1284-S1288 PolarHBondContact O-N 3.33Å; R1284-S1288 VanDerWaalsContact O-N 3.12Å; R1284-S1288 PolarHBondContact O-OG 3.17Å; R1284-P1434 PolarHBondContact NH1-O 2.97Å; R1284-M1435 HydrophobicContact CG-SD 4.18Å; R1284-M1435 PolarHBondContact NE-SD 3.16Å; R1284-M1435 VanDerWaalsContact NE-SD 3.38Å; R1284-M1435 PolarHBondContact NH1-O 2.89Å; R1284-M1435 VanDerWaalsContact NH1-O 3.12Å; R1284-M1435 VanDerWaalsContact NH2-CE 3.35Å; R1284-M1435 PolarHBondContact NH2-O 2.95Å; R1284-M1435 VanDerWaalsContact NH2-O 3.09Å; R1284-M1435 PolarHBondContact NH2-SD 3.03Å; R1284-M1435 VanDerWaalsContact NH2-SD 3.41Å; R1284-I1437 PolarHBondContact NH1-O 3.12Å; R1284-L1439 HydrophobicContact CB-CD1 4.42Å; R1284-Y1442 HydrophobicContact CB-CD1 4.39Å; R1284-Y1442 HydrophobicContact CB-CE1 4.27Å; R1284-Y1442 HydrophobicContact CG-CD1 3.83Å; R1284-Y1442 HydrophobicContact CG-CD2 4.44Å; R1284-Y1442 HydrophobicContact CG-CE1 3.72Å; R1284-Y1442 HydrophobicContact CG-CE2 4.35Å; R1284-Y1442 HydrophobicContact CG-CG 4.19Å; R1284-F1443 HydrophobicContact CB-CE2 4.03Å; R1284-F1443 HydrophobicContact CB-CZ 4.35Å |
| 1285 | E | 84.1 | Confident | 82.2 | Confident | 83.2 Ų | 83.2 | 38.4 Ų | 38.4 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.4 | -65.9 | 171 | 164.1 | 0 | 0 | 110.7 | S1281 H1282 W1283 S1288 A1289 M1435 | S1281-E1285 PolarHBondContact O-N 2.94Å; H1282-E1285 IonicContact CE1-OE2 3.37Å; H1282-E1285 PolarHBondContact CE1-OE2 3.13Å; H1282-E1285 IonicContact CG-OE2 3.06Å; H1282-E1285 IonicContact ND1-OE2 3.46Å; H1282-E1285 PolarHBondContact ND1-OE2 3.05Å; H1282-E1285 WeakPolarHBondContact O-CA 3.42Å; H1282-E1285 VanDerWaalsContact O-CB 3.31Å; H1282-E1285 WeakPolarHBondContact O-CB 3.33Å; H1282-E1285 PolarHBondContact O-N 3.2Å; W1283-E1285 VanDerWaalsContact C-N 3.32Å; W1283-E1285 PolarHBondContact O-N 3.26Å; E1285-S1288 PolarHBondContact O-N 3Å; E1285-S1288 PolarHBondContact O-OG 2.97Å; E1285-S1288 VanDerWaalsContact O-OG 3.05Å; E1285-A1289 VanDerWaalsContact O-CB 3.25Å; E1285-A1289 WeakPolarHBondContact O-CB 3.38Å; E1285-A1289 PolarHBondContact O-N 2.98Å; E1285-M1435 HydrophobicContact CB-SD 4.46Å; E1285-M1435 HydrophobicContact CG-CE 3.37Å; E1285-M1435 HydrophobicContact CG-SD 3.55Å; E1285-M1435 VanDerWaalsContact CG-SD 3.52Å; E1285-M1435 WeakPolarHBondContact CG-SD 3.39Å; E1285-M1435 WeakPolarHBondContact OE1-CE 3.36Å |
| 1286 | I | 83.3 | Confident | 81.8 | Confident | 32.6 Ų | 32.6 | 40.6 Ų | 40.6 | 17% | 0.167 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -52.7 | 178.9 | -62.9 | 168.3 | 0 | 0 | 0 | 111.4 | M1203 L1208 H1282 W1283 S1288 A1289 E1290 | M1203-I1286 HydrophobicContact CB-CD1 3.95Å; M1203-I1286 HydrophobicContact CG-CD1 3.58Å; M1203-I1286 VanDerWaalsContact CG-CD1 3.49Å; M1203-I1286 HydrophobicContact SD-CD1 3.95Å; L1208-I1286 HydrophobicContact CD1-CG2 4.41Å; H1282-I1286 WeakPolarHBondContact O-CG1 3.36Å; H1282-I1286 PolarHBondContact O-N 3.19Å; H1282-I1286 VanDerWaalsContact O-N 3.1Å; W1283-I1286 HydrophobicContact CD2-CD1 4.48Å; W1283-I1286 HydrophobicContact CE3-CB 4.46Å; W1283-I1286 HydrophobicContact CE3-CD1 4.47Å; W1283-I1286 HydrophobicContact CE3-CG2 4.4Å; W1283-I1286 HydrophobicContact CZ3-CG2 4.31Å; W1283-I1286 PolarHBondContact O-N 3.11Å; I1286-S1288 PolarHBondContact O-N 2.95Å; I1286-A1289 PolarHBondContact O-N 3.08Å; I1286-A1289 VanDerWaalsContact O-N 3.16Å; I1286-E1290 WeakPolarHBondContact O-CB 3.49Å; I1286-E1290 WeakPolarHBondContact O-CG 3.2Å; I1286-E1290 PolarHBondContact O-N 2.94Å |
| 1287 | L | 82.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -31.6 | -179.2 | -69.3 | 174.2 | 0 | 0 | 0 | 112.6 | Q1233 L1234 A1237 W1283 K1291 L1292 V1293 F1443 | Q1233-L1287 HydrophobicContact CB-CD2 4.45Å; L1234-L1287 HydrophobicContact CB-CD1 4.08Å; L1234-L1287 HydrophobicContact CD1-CD1 4.42Å; A1237-L1287 HydrophobicContact CB-CD2 4.49Å; W1283-L1287 HydrophobicContact CE3-CG 4.44Å; W1283-L1287 WeakPolarHBondContact O-CB 3.31Å; W1283-L1287 VanDerWaalsContact O-CG 3.24Å; W1283-L1287 WeakPolarHBondContact O-CG 3.36Å; W1283-L1287 PolarHBondContact O-N 3.2Å; L1287-K1291 PolarHBondContact O-N 3.21Å; L1287-L1292 HydrophobicContact CD2-CB 4.09Å; L1287-L1292 HydrophobicContact CD2-CD1 3.69Å; L1287-L1292 PolarHBondContact O-N 3.13Å; L1287-L1292 VanDerWaalsContact O-N 3.12Å; L1287-V1293 HydrophobicContact CB-CG2 4.29Å; L1287-V1293 HydrophobicContact CD1-CG2 4.5Å; L1287-F1443 HydrophobicContact CD1-CE1 4.1Å; L1287-F1443 HydrophobicContact CD1-CZ 3.94Å |
| 1288 | S | 79.5 | Confident | 80.4 | Confident | 30.2 Ų | 30.2 | 47.3 Ų | 47.3 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.3 | -40.3 | 176.4 | 20.3 | 0 | 0 | 0 | 0 | 112.7 | R1284 E1285 I1286 K1291 P1434 Y1442 | R1284-S1288 VanDerWaalsContact O-CB 3.3Å; R1284-S1288 WeakPolarHBondContact O-CB 3.36Å; R1284-S1288 PolarHBondContact O-N 3.33Å; R1284-S1288 VanDerWaalsContact O-N 3.12Å; R1284-S1288 PolarHBondContact O-OG 3.17Å; E1285-S1288 PolarHBondContact O-N 3Å; E1285-S1288 PolarHBondContact O-OG 2.97Å; E1285-S1288 VanDerWaalsContact O-OG 3.05Å; I1286-S1288 PolarHBondContact O-N 2.95Å; S1288-K1291 PolarHBondContact O-N 3.07Å; S1288-K1291 VanDerWaalsContact O-N 3.14Å; S1288-P1434 VanDerWaalsContact OG-CB 3.24Å; S1288-P1434 WeakPolarHBondContact OG-CB 3.17Å; S1288-Y1442 PolarHBondContact OG-OH 2.88Å |
| 1289 | A | 78.7 | Confident | 79.7 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1285 I1286 K1291 | E1285-A1289 VanDerWaalsContact O-CB 3.25Å; E1285-A1289 WeakPolarHBondContact O-CB 3.38Å; E1285-A1289 PolarHBondContact O-N 2.98Å; I1286-A1289 PolarHBondContact O-N 3.08Å; I1286-A1289 VanDerWaalsContact O-N 3.16Å; A1289-K1291 VanDerWaalsContact C-N 3.26Å; A1289-K1291 PolarHBondContact O-N 3.07Å |
| 1290 | E | 75.3 | Confident | 78.9 | Confident | 64.6 Ų | 64.6 | 48.2 Ų | 48.2 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -1.3 | 177 | -62.9 | -143.9 | 147.2 | 0 | 0 | 113.7 | L1208 Q1209 I1286 L1292 | L1208-E1290 WeakPolarHBondContact CB-OE2 3.37Å; Q1209-E1290 WeakPolarHBondContact CG-OE1 3.29Å; Q1209-E1290 PolarHBondContact NE2-OE1 3.17Å; I1286-E1290 WeakPolarHBondContact O-CB 3.49Å; I1286-E1290 WeakPolarHBondContact O-CG 3.2Å; I1286-E1290 PolarHBondContact O-N 2.94Å; E1290-L1292 HydrophobicContact CB-CD1 4Å; E1290-L1292 HydrophobicContact CB-CG 3.92Å; E1290-L1292 PolarHBondContact O-N 3.27Å; E1290-L1292 WeakPolarHBondContact OE2-CD1 3.38Å |
| 1291 | K | 74.9 | Confident | 78.2 | Confident | 171.4 Ų | 171.4 | 53.2 Ų | 53.2 | 75% | 0.745 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.7 | -177.2 | -59.2 | -176.2 | 178.9 | -177.9 | 0 | 113.5 | L1287 S1288 A1289 V1293 | L1287-K1291 PolarHBondContact O-N 3.21Å; S1288-K1291 PolarHBondContact O-N 3.07Å; S1288-K1291 VanDerWaalsContact O-N 3.14Å; A1289-K1291 VanDerWaalsContact C-N 3.26Å; A1289-K1291 PolarHBondContact O-N 3.07Å; K1291-V1293 VanDerWaalsContact C-N 3.31Å; K1291-V1293 PolarHBondContact O-N 3.45Å |
| 1292 | L | 73.7 | Confident | 77.4 | Confident | 23.6 Ų | 23.6 | 54.3 Ų | 54.3 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -75.3 | -22.3 | 179.4 | -72.3 | 169.3 | 0 | 0 | 0 | 112.6 | T1211 Q1233 L1287 E1290 | T1211-L1292 HydrophobicContact CG2-CD2 4.14Å; Q1233-L1292 WeakPolarHBondContact CG-O 3.34Å; L1287-L1292 HydrophobicContact CD2-CB 4.09Å; L1287-L1292 HydrophobicContact CD2-CD1 3.69Å; L1287-L1292 PolarHBondContact O-N 3.13Å; L1287-L1292 VanDerWaalsContact O-N 3.12Å; E1290-L1292 HydrophobicContact CB-CD1 4Å; E1290-L1292 HydrophobicContact CB-CG 3.92Å; E1290-L1292 PolarHBondContact O-N 3.27Å; E1290-L1292 WeakPolarHBondContact OE2-CD1 3.38Å | ||
| 1293 | V | 76.2 | Confident | 76.6 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -108.8 | 116.5 | 178.7 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | Q1228 Q1233 L1287 K1291 L1295 Y1442 | Q1228-V1293 WeakPolarHBondContact O-CG1 3.45Å; Q1233-V1293 HydrophobicContact CB-CG2 3.96Å; Q1233-V1293 HydrophobicContact CG-CG2 4.04Å; L1287-V1293 HydrophobicContact CB-CG2 4.29Å; L1287-V1293 HydrophobicContact CD1-CG2 4.5Å; K1291-V1293 VanDerWaalsContact C-N 3.31Å; K1291-V1293 PolarHBondContact O-N 3.45Å; V1293-L1295 HydrophobicContact CG1-CD2 3.92Å; V1293-L1295 HydrophobicContact CG1-CG 4.2Å; V1293-L1295 PolarHBondContact O-N 3.12Å; V1293-L1295 VanDerWaalsContact O-N 3.14Å; V1293-Y1442 WeakPolarHBondContact CG2-OH 3.36Å |
| 1294 | N | 76.4 | Confident | 75.8 | Confident | 105 Ų | 105 | 53.4 Ų | 53.4 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | trans | -87.6 | 88.2 | 173.9 | -72.7 | -29.1 | 0 | 0 | 0 | 109.1 | A1227 Q1228 | A1227-N1294 HydrophobicContact CB-CB 4.35Å; A1227-N1294 PolarHBondContact O-N 3.11Å; Q1228-N1294 WeakPolarHBondContact CA-O 3.27Å; Q1228-N1294 WeakPolarHBondContact CB-O 3.47Å; Q1228-N1294 WeakPolarHBondContact CG-O 3.24Å | ||
| 1295 | L | 73.3 | Confident | 74.7 | Confident | 35.4 Ų | 35.4 | 54.4 Ų | 54.4 | 19% | 0.185 | 29% | 0.287 | C | S | . | . | trans | -65.5 | 143.7 | 178.5 | -69.2 | 175.4 | 0 | 0 | 0 | 112 | L924 V1293 D1297 P1434 I1437 Y1442 | L924-L1295 HydrophobicContact CD1-CD2 4.11Å; V1293-L1295 HydrophobicContact CG1-CD2 3.92Å; V1293-L1295 HydrophobicContact CG1-CG 4.2Å; V1293-L1295 PolarHBondContact O-N 3.12Å; V1293-L1295 VanDerWaalsContact O-N 3.14Å; L1295-D1297 PolarHBondContact O-N 2.92Å; L1295-D1297 VanDerWaalsContact O-N 3.16Å; L1295-P1434 HydrophobicContact CD1-CB 3.94Å; L1295-P1434 HydrophobicContact CD1-CG 3.8Å; L1295-I1437 HydrophobicContact CD1-CD1 3.87Å; L1295-I1437 HydrophobicContact CD2-CD1 4.43Å; L1295-Y1442 HydrophobicContact CD1-CE2 4.39Å; L1295-Y1442 HydrophobicContact CD2-CE2 4.29Å | ||
| 1296 | N | 75.3 | Confident | 73.3 | Confident | 52.6 Ų | 52.6 | 56.4 Ų | 56.4 | 28% | 0.281 | 30% | 0.3 | S | S | . | . | trans | -80.8 | 96.2 | 165.1 | -176.9 | -11.5 | 0 | 0 | 0 | 108.5 | N1298 L1299 A1300 | N1296-N1298 PolarHBondContact O-N 3.16Å; N1296-N1298 PolarHBondContact OD1-N 3.08Å; N1296-L1299 HydrophobicContact CB-CB 4.37Å; N1296-L1299 HydrophobicContact CB-CD1 4.46Å; N1296-L1299 HydrophobicContact CB-CG 4.48Å; N1296-L1299 WeakPolarHBondContact ND2-CD1 3.41Å; N1296-L1299 PolarHBondContact O-N 3.25Å; N1296-A1300 WeakPolarHBondContact O-CB 3.27Å; N1296-A1300 PolarHBondContact O-N 2.91Å | ||
| 1297 | D | 72.3 | Confident | 71.7 | Confident | 45.6 Ų | 45.6 | 60.9 Ų | 60.9 | 24% | 0.244 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -50 | -35 | -177 | -77.7 | -43.2 | 0 | 0 | 0 | 113.2 | L1295 L1299 A1300 R1301 T1431 V1432 | L1295-D1297 PolarHBondContact O-N 2.92Å; L1295-D1297 VanDerWaalsContact O-N 3.16Å; D1297-L1299 VanDerWaalsContact C-N 3.33Å; D1297-L1299 PolarHBondContact O-N 2.91Å; D1297-A1300 PolarHBondContact O-N 3.22Å; D1297-R1301 VanDerWaalsContact O-CG 3.27Å; D1297-R1301 WeakPolarHBondContact O-CG 3.27Å; D1297-R1301 PolarHBondContact O-N 3.12Å; D1297-R1301 VanDerWaalsContact O-N 3.09Å; D1297-T1431 WeakPolarHBondContact OD1-CA 3.39Å; D1297-V1432 HydrophobicContact CB-CG2 4.36Å; D1297-V1432 PolarHBondContact OD1-N 3.21Å |
| 1298 | N | 72.1 | Confident | 69.7 | Low | 109 Ų | 109 | 67.3 Ų | 67.3 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.2 | -35.9 | -179.2 | -65.9 | -19 | 0 | 0 | 0 | 112.8 | N1296 R1301 | N1296-N1298 PolarHBondContact O-N 3.16Å; N1296-N1298 PolarHBondContact OD1-N 3.08Å; N1298-R1301 PolarHBondContact OD1-NH1 3.35Å |
| 1299 | L | 71.1 | Confident | 67.6 | Low | 33.8 Ų | 33.8 | 74.5 Ų | 74.5 | 18% | 0.177 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -83.6 | -34.1 | 175.1 | -72.8 | 174.6 | 0 | 0 | 0 | 111.7 | V925 R927 W1083 N1296 D1297 R1301 D1302 F1303 | V925-L1299 VanDerWaalsContact C-CD1 3.41Å; V925-L1299 WeakPolarHBondContact O-CD1 3.22Å; R927-L1299 HydrophobicContact CG-CD2 3.79Å; W1083-L1299 HydrophobicContact CH2-CB 4.07Å; W1083-L1299 HydrophobicContact CH2-CD1 4.32Å; W1083-L1299 HydrophobicContact CH2-CD2 3.79Å; W1083-L1299 HydrophobicContact CH2-CG 4.26Å; W1083-L1299 HydrophobicContact CZ2-CD2 4.25Å; N1296-L1299 HydrophobicContact CB-CB 4.37Å; N1296-L1299 HydrophobicContact CB-CD1 4.46Å; N1296-L1299 HydrophobicContact CB-CG 4.48Å; N1296-L1299 WeakPolarHBondContact ND2-CD1 3.41Å; N1296-L1299 PolarHBondContact O-N 3.25Å; D1297-L1299 VanDerWaalsContact C-N 3.33Å; D1297-L1299 PolarHBondContact O-N 2.91Å; L1299-R1301 VanDerWaalsContact C-N 3.31Å; L1299-R1301 PolarHBondContact O-N 3.09Å; L1299-D1302 WeakPolarHBondContact O-CB 3.13Å; L1299-D1302 PolarHBondContact O-N 3.05Å; L1299-F1303 HydrophobicContact CD2-CE2 4.46Å; L1299-F1303 WeakPolarHBondContact O-CD2 3.3Å; L1299-F1303 WeakPolarHBondContact O-CE2 3.5Å |
| 1300 | A | 71.7 | Confident | 65.6 | Low | 2.2 Ų | 2.2 | 73.2 Ų | 73.2 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L924 N1296 D1297 D1302 F1303 V1304 V1432 I1437 | L924-A1300 HydrophobicContact CD2-CB 4.43Å; N1296-A1300 WeakPolarHBondContact O-CB 3.27Å; N1296-A1300 PolarHBondContact O-N 2.91Å; D1297-A1300 PolarHBondContact O-N 3.22Å; A1300-D1302 VanDerWaalsContact C-N 3.27Å; A1300-D1302 PolarHBondContact O-N 3.2Å; A1300-D1302 VanDerWaalsContact O-N 3.16Å; A1300-F1303 PolarHBondContact O-N 3.05Å; A1300-F1303 VanDerWaalsContact O-N 3.11Å; A1300-V1304 WeakPolarHBondContact O-CG2 3.13Å; A1300-V1432 HydrophobicContact CB-CB 4.05Å; A1300-V1432 HydrophobicContact CB-CG1 3.99Å; A1300-V1432 HydrophobicContact CB-CG2 4.01Å; A1300-I1437 HydrophobicContact CB-CD1 4Å |
| 1301 | R | 73.1 | Confident | 63.6 | Low | 104 Ų | 104 | 77.4 Ų | 77.4 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -57.5 | -32.8 | 176.7 | -77.8 | -178.7 | -153 | 111 | 3.8 | 113.5 | D1297 N1298 L1299 F1303 V1304 E1430 V1432 | D1297-R1301 VanDerWaalsContact O-CG 3.27Å; D1297-R1301 WeakPolarHBondContact O-CG 3.27Å; D1297-R1301 PolarHBondContact O-N 3.12Å; D1297-R1301 VanDerWaalsContact O-N 3.09Å; N1298-R1301 PolarHBondContact OD1-NH1 3.35Å; L1299-R1301 VanDerWaalsContact C-N 3.31Å; L1299-R1301 PolarHBondContact O-N 3.09Å; R1301-F1303 PolarHBondContact O-N 3.15Å; R1301-F1303 VanDerWaalsContact O-N 3.14Å; R1301-V1304 PolarHBondContact O-N 3.14Å; R1301-E1430 PolarHBondContact NH2-O 3.43Å; R1301-V1432 HydrophobicContact CB-CG2 4.42Å; R1301-V1432 HydrophobicContact CG-CG2 3.43Å; R1301-V1432 VanDerWaalsContact CG-CG2 3.44Å |
| 1302 | D | 70.8 | Confident | 61.7 | Low | 53.4 Ų | 53.4 | 76.5 Ų | 76.5 | 29% | 0.286 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -64.7 | -14.6 | 178.8 | -82.2 | -26.5 | 0 | 0 | 0 | 113.4 | R927 W1083 K1087 L1299 A1300 | R927-D1302 IonicContact CZ-OD2 2.73Å; R927-D1302 IonicContact NE-OD2 3.61Å; R927-D1302 IonicContact NH2-OD2 3.13Å; R927-D1302 PolarHBondContact NH2-OD2 2.81Å; W1083-D1302 HydrophobicContact CZ2-CB 4.09Å; W1083-D1302 VanDerWaalsContact CZ2-CG 3.47Å; W1083-D1302 VanDerWaalsContact CZ2-OD2 3.25Å; W1083-D1302 WeakPolarHBondContact CZ2-OD2 3.31Å; K1087-D1302 HydrophobicContact CD-CB 4.38Å; K1087-D1302 WeakPolarHBondContact CE-OD1 3.38Å; K1087-D1302 IonicContact NZ-OD1 3.21Å; K1087-D1302 PolarHBondContact NZ-OD1 3.05Å; K1087-D1302 IonicContact NZ-OD2 2.95Å; K1087-D1302 PolarHBondContact NZ-OD2 2.86Å; L1299-D1302 WeakPolarHBondContact O-CB 3.13Å; L1299-D1302 PolarHBondContact O-N 3.05Å; A1300-D1302 VanDerWaalsContact C-N 3.27Å; A1300-D1302 PolarHBondContact O-N 3.2Å; A1300-D1302 VanDerWaalsContact O-N 3.16Å |
| 1303 | F | 69.4 | Low | 59.7 | Low | 7.4 Ų | 7.4 | 82.7 Ų | 82.7 | 3% | 0.032 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -119.1 | 9.8 | -177.4 | -59.1 | -76.4 | 0 | 0 | 0 | 114.1 | L923 L924 W1083 L1090 L1299 A1300 R1301 V1305 I1437 P1438 V1441 | L923-F1303 HydrophobicContact CB-CE2 4.44Å; L923-F1303 HydrophobicContact CB-CZ 4.3Å; L923-F1303 WeakPolarHBondContact O-CE2 3.41Å; L924-F1303 HydrophobicContact CD2-CD2 3.94Å; L924-F1303 HydrophobicContact CD2-CE2 4.28Å; W1083-F1303 AromaticContact CD1-CE2 3.76Å; W1083-F1303 AromaticContact CD1-CZ 3.4Å; W1083-F1303 VanDerWaalsContact CD1-CZ 3.45Å; W1083-F1303 HydrophobicContact CD2-CE2 4.48Å; W1083-F1303 AromaticContact CD2-CZ 3.87Å; W1083-F1303 HydrophobicContact CD2-CZ 3.87Å; W1083-F1303 AromaticContact CE2-CZ 3.68Å; W1083-F1303 HydrophobicContact CE3-CZ 4.11Å; W1083-F1303 AromaticContact CG-CZ 3.99Å; W1083-F1303 HydrophobicContact CG-CZ 4.27Å; W1083-F1303 AromaticContact CH2-CE2 3.56Å; W1083-F1303 HydrophobicContact CH2-CE2 3.56Å; W1083-F1303 AromaticContact CH2-CZ 3.93Å; W1083-F1303 HydrophobicContact CH2-CZ 3.93Å; W1083-F1303 AromaticContact CZ2-CE2 3.54Å; W1083-F1303 HydrophobicContact CZ2-CE2 3.54Å; W1083-F1303 AromaticContact CZ2-CZ 3.71Å; W1083-F1303 HydrophobicContact CZ2-CZ 3.71Å; W1083-F1303 HydrophobicContact CZ3-CE2 4.09Å; W1083-F1303 HydrophobicContact CZ3-CZ 4.15Å; W1083-F1303 AromaticContact NE1-CE2 3.63Å; W1083-F1303 AromaticContact NE1-CZ 3.53Å; L1090-F1303 HydrophobicContact CD1-CB 4.3Å; L1090-F1303 HydrophobicContact CD1-CD1 3.84Å; L1299-F1303 HydrophobicContact CD2-CE2 4.46Å; L1299-F1303 WeakPolarHBondContact O-CD2 3.3Å; L1299-F1303 WeakPolarHBondContact O-CE2 3.5Å; A1300-F1303 PolarHBondContact O-N 3.05Å; A1300-F1303 VanDerWaalsContact O-N 3.11Å; R1301-F1303 PolarHBondContact O-N 3.15Å; R1301-F1303 VanDerWaalsContact O-N 3.14Å; F1303-V1305 PolarHBondContact O-N 3.05Å; F1303-I1437 HydrophobicContact CB-CG2 4.33Å; F1303-P1438 VanDerWaalsContact O-CD 3.28Å; F1303-P1438 WeakPolarHBondContact O-CD 3.4Å; F1303-V1441 HydrophobicContact CB-CG1 4.24Å; F1303-V1441 HydrophobicContact CD1-CG1 4.11Å; F1303-V1441 HydrophobicContact CD1-CG2 4.14Å; F1303-V1441 HydrophobicContact CD2-CG1 4.19Å; F1303-V1441 HydrophobicContact CE1-CG1 4.44Å; F1303-V1441 HydrophobicContact CE1-CG2 4.46Å; F1303-V1441 HydrophobicContact CE2-CG1 4.36Å; F1303-V1441 HydrophobicContact CG-CG1 3.92Å; F1303-V1441 HydrophobicContact CG-CG2 4.5Å |
| 1304 | V | 70.2 | Confident | 57.5 | Low | 46.6 Ų | 46.6 | 90.2 Ų | 90.2 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | trans | -75.6 | 121.2 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | A1300 R1301 N1306 V1432 D1436 | A1300-V1304 WeakPolarHBondContact O-CG2 3.13Å; R1301-V1304 PolarHBondContact O-N 3.14Å; V1304-N1306 PolarHBondContact O-N 3.07Å; V1304-N1306 VanDerWaalsContact O-N 3.11Å; V1304-V1432 HydrophobicContact CG2-CG1 3.51Å; V1304-V1432 VanDerWaalsContact CG2-CG1 3.49Å; V1304-D1436 HydrophobicContact CG1-CB 4.11Å | ||
| 1305 | V | 64.2 | Low | 55.2 | Low | 43.8 Ų | 43.8 | 88.5 Ų | 88.5 | 27% | 0.265 | 47% | 0.473 | S | S | . | . | trans | -77 | 106.1 | 174.7 | -176 | 0 | 0 | 0 | 0 | 109.4 | L1090 Y1094 F1303 K1307 D1436 P1438 R1634 | L1090-V1305 HydrophobicContact CD2-CG2 4.24Å; Y1094-V1305 HydrophobicContact CD1-CG1 3.99Å; Y1094-V1305 HydrophobicContact CD2-CG1 4.01Å; Y1094-V1305 HydrophobicContact CD2-CG2 4.28Å; Y1094-V1305 HydrophobicContact CE1-CG1 3.7Å; Y1094-V1305 HydrophobicContact CE2-CB 4.42Å; Y1094-V1305 HydrophobicContact CE2-CG1 3.74Å; Y1094-V1305 HydrophobicContact CE2-CG2 3.71Å; Y1094-V1305 HydrophobicContact CG-CG1 4.16Å; F1303-V1305 PolarHBondContact O-N 3.05Å; V1305-K1307 PolarHBondContact O-N 3Å; V1305-K1307 VanDerWaalsContact O-N 3.11Å; V1305-D1436 PolarHBondContact N-O 3.13Å; V1305-D1436 VanDerWaalsContact N-O 3.08Å; V1305-P1438 HydrophobicContact CG2-CG 3.93Å; V1305-R1634 HydrophobicContact CG1-CG 4.46Å | ||
| 1306 | N | 55.7 | Low | 53 | Low | 126 Ų | 126 | 90.6 Ų | 90.6 | 67% | 0.674 | 50% | 0.496 | S | S | * | . | trans | -61.6 | 107.3 | -174.9 | -108.8 | -26.5 | 0 | 0 | 0 | 112.6 | V1304 N1308 | V1304-N1306 PolarHBondContact O-N 3.07Å; V1304-N1306 VanDerWaalsContact O-N 3.11Å; N1306-N1308 VanDerWaalsContact C-N 3.29Å; N1306-N1308 PolarHBondContact O-N 2.96Å | ||
| 1307 | K | 48.6 | Very low | 50.8 | Low | 126.8 Ų | 126.8 | 93 Ų | 93 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -65.6 | -25.1 | 179.8 | -80.1 | 173.1 | 174.7 | 158.5 | 0 | 114.4 | V1305 R1309 G1310 D1436 | V1305-K1307 PolarHBondContact O-N 3Å; V1305-K1307 VanDerWaalsContact O-N 3.11Å; K1307-R1309 VanDerWaalsContact C-N 3.35Å; K1307-R1309 PolarHBondContact O-N 3.16Å; K1307-G1310 PolarHBondContact O-N 2.84Å; K1307-D1436 VanDerWaalsContact CE-CG 3.49Å; K1307-D1436 WeakPolarHBondContact CE-OD1 3.44Å; K1307-D1436 WeakPolarHBondContact CE-OD2 3.24Å; K1307-D1436 IonicContact NZ-OD1 3.15Å; K1307-D1436 PolarHBondContact NZ-OD1 3.32Å; K1307-D1436 IonicContact NZ-OD2 3.12Å; K1307-D1436 PolarHBondContact NZ-OD2 3Å |
| 1308 | N | 40.5 | Very low | 48.6 | Very low | 133.8 Ų | 133.8 | 101.1 Ų | 101.1 | 72% | 0.716 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -84.8 | 13.5 | -163.9 | -69.2 | -2.3 | 0 | 0 | 0 | 115.9 | N1306 G1310 | N1306-N1308 VanDerWaalsContact C-N 3.29Å; N1306-N1308 PolarHBondContact O-N 2.96Å; N1308-G1310 PolarHBondContact O-N 2.82Å |
| 1309 | R | 37 | Very low | 46.5 | Very low | 182.4 Ų | 182.4 | 105.2 Ų | 105.2 | 69% | 0.688 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -97.1 | 3.4 | 171.5 | -74.7 | -169.8 | 175.2 | -168.6 | -1 | 114.5 | Q1092 Y1094 K1307 | Q1092-R1309 PolarHBondContact O-NH2 2.67Å; Y1094-R1309 PolarHBondContact O-NH1 3.18Å; K1307-R1309 VanDerWaalsContact C-N 3.35Å; K1307-R1309 PolarHBondContact O-N 3.16Å |
| 1310 | G | 35.6 | Very low | 44.4 | Very low | 53.8 Ų | 53.8 | 106.8 Ų | 106.8 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -76.4 | -31.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1307 N1308 L1312 M1313 | K1307-G1310 PolarHBondContact O-N 2.84Å; N1308-G1310 PolarHBondContact O-N 2.82Å; G1310-L1312 VanDerWaalsContact C-N 3.31Å; G1310-L1312 PolarHBondContact O-N 3.03Å; G1310-M1313 PolarHBondContact O-N 2.99Å |
| 1311 | D | 34.3 | Very low | 42.4 | Very low | 152.8 Ų | 152.8 | 114.6 Ų | 114.6 | 82% | 0.817 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 5.8 | -170 | -66.9 | -13.1 | 0 | 0 | 0 | 114.2 | M1313 | D1311-M1313 VanDerWaalsContact C-N 3.33Š|
| 1312 | L | 34.8 | Very low | 40.3 | Very low | 152 Ų | 152 | 116.7 Ų | 116.7 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 10 | 174.1 | -82.9 | 155.8 | 0 | 0 | 0 | 113.2 | G1310 | G1310-L1312 VanDerWaalsContact C-N 3.31Å; G1310-L1312 PolarHBondContact O-N 3.03Å |
| 1313 | M | 30.7 | Very low | 38.3 | Very low | 154.8 Ų | 154.8 | 121 Ų | 121 | 76% | 0.763 | 66% | 0.662 | S | S | * | * | trans | -109.6 | 21.3 | 175.9 | -78.8 | -68.9 | -151 | 0 | 0 | 113.4 | G1310 D1311 G1315 | G1310-M1313 PolarHBondContact O-N 2.99Å; D1311-M1313 VanDerWaalsContact C-N 3.33Å; M1313-G1315 PolarHBondContact O-N 2.94Å | ||
| 1314 | D | 29.9 | Very low | 36.4 | Very low | 173 Ų | 173 | 130 Ų | 130 | 93% | 0.925 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 44.1 | 165.2 | -104.4 | -6.7 | 0 | 0 | 0 | 110.4 | ||
| 1315 | G | 28.5 | Very low | 34.5 | Very low | 68.8 Ų | 68.8 | 134.7 Ų | 134.7 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | 8.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | M1313 P1317 | M1313-G1315 PolarHBondContact O-N 2.94Å; G1315-P1317 WeakPolarHBondContact O-CD 3.45Å |
| 1316 | A | 27.2 | Very low | 32.9 | Very low | 79.4 Ų | 79.4 | 138.5 Ų | 138.5 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | -75.9 | 130.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1318 | A1316-K1318 PolarHBondContact O-N 3.22Š| ||
| 1317 | P | 29.4 | Very low | 31.7 | Very low | 104.4 Ų | 104.4 | 137.6 Ų | 137.6 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -69.1 | 141.9 | -177.8 | 28.9 | -33.8 | 0 | 0 | 0 | 111 | G1315 F1319 | G1315-P1317 WeakPolarHBondContact O-CD 3.45Å; P1317-F1319 VanDerWaalsContact C-N 3.28Å; P1317-F1319 HydrophobicContact CB-CD2 4.28Å; P1317-F1319 HydrophobicContact CB-CE2 4.21Å; P1317-F1319 HydrophobicContact CG-CD2 4.12Å; P1317-F1319 HydrophobicContact CG-CE2 4.38Å; P1317-F1319 PolarHBondContact O-N 2.98Å | ||
| 1318 | K | 25.5 | Very low | 30.8 | Very low | 214.4 Ų | 214.4 | 137.9 Ų | 137.9 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | trans | -65.7 | 82.7 | 178.9 | -66.7 | 178.4 | 179.1 | 176.2 | 0 | 112 | A1316 G1320 | A1316-K1318 PolarHBondContact O-N 3.22Å; K1318-G1320 PolarHBondContact O-N 3.15Å | ||
| 1319 | F | 27.4 | Very low | 30.3 | Very low | 196.6 Ų | 196.6 | 141.2 Ų | 141.2 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | -90.6 | 109.8 | 161.3 | -87.6 | -85.1 | 0 | 0 | 0 | 109.6 | P1317 H1321 | P1317-F1319 VanDerWaalsContact C-N 3.28Å; P1317-F1319 HydrophobicContact CB-CD2 4.28Å; P1317-F1319 HydrophobicContact CB-CE2 4.21Å; P1317-F1319 HydrophobicContact CG-CD2 4.12Å; P1317-F1319 HydrophobicContact CG-CE2 4.38Å; P1317-F1319 PolarHBondContact O-N 2.98Å; F1319-H1321 PolarHBondContact O-N 3.19Å; F1319-H1321 VanDerWaalsContact O-N 3.13Å | ||
| 1320 | G | 27.2 | Very low | 29.9 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | -83.4 | 140.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1318 L1322 D1323 | K1318-G1320 PolarHBondContact O-N 3.15Å; G1320-L1322 PolarHBondContact O-N 3.24Å; G1320-D1323 PolarHBondContact O-N 3.33Å | ||
| 1321 | H | 29.4 | Very low | 29.6 | Very low | 166.4 Ų | 166.4 | 140.3 Ų | 140.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 31.1 | 52.5 | 170.9 | -123.5 | -64 | 0 | 0 | 0 | 116.3 | F1319 D1323 R1324 | F1319-H1321 PolarHBondContact O-N 3.19Å; F1319-H1321 VanDerWaalsContact O-N 3.13Å; H1321-D1323 VanDerWaalsContact C-N 3.3Å; H1321-R1324 PolarHBondContact O-N 2.96Å | ||
| 1322 | L | 29.8 | Very low | 29.4 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -123.1 | 35.1 | 152.7 | -143 | 74.8 | 0 | 0 | 0 | 114.2 | G1320 R1324 L1325 N1326 | G1320-L1322 PolarHBondContact O-N 3.24Å; L1322-R1324 PolarHBondContact O-N 2.94Å; L1322-R1324 VanDerWaalsContact O-N 3.11Å; L1322-L1325 PolarHBondContact O-N 2.72Å; L1322-N1326 PolarHBondContact O-N 2.83Å; L1322-N1326 VanDerWaalsContact O-N 3.15Å | ||
| 1323 | D | 29 | Very low | 29.2 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -72 | 55.1 | 165.3 | -87.7 | -37.8 | 0 | 0 | 0 | 111.1 | G1320 H1321 L1325 N1326 V1327 | G1320-D1323 PolarHBondContact O-N 3.33Å; H1321-D1323 VanDerWaalsContact C-N 3.3Å; D1323-L1325 PolarHBondContact O-N 3.09Å; D1323-N1326 PolarHBondContact O-N 2.91Å; D1323-V1327 VanDerWaalsContact O-CG2 3.3Å; D1323-V1327 WeakPolarHBondContact O-CG2 3.38Å; D1323-V1327 PolarHBondContact O-N 2.79Å | ||
| 1324 | R | 29.5 | Very low | 29.1 | Very low | 196.4 Ų | 196.4 | 136.9 Ų | 136.9 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -124.4 | -0.1 | 172.6 | -104.1 | 176.7 | -174.4 | -165.9 | 0.1 | 115.6 | H1321 L1322 L1328 | H1321-R1324 PolarHBondContact O-N 2.96Å; L1322-R1324 PolarHBondContact O-N 2.94Å; L1322-R1324 VanDerWaalsContact O-N 3.11Å; R1324-L1328 PolarHBondContact O-N 3.32Å | ||
| 1325 | L | 29.8 | Very low | 29 | Very low | 145.8 Ų | 145.8 | 133 Ų | 133 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -101 | 3.7 | 174.2 | -85 | 166.3 | 0 | 0 | 0 | 113.3 | L1322 D1323 L1328 R1329 | L1322-L1325 PolarHBondContact O-N 2.72Å; D1323-L1325 PolarHBondContact O-N 3.09Å; L1325-L1328 PolarHBondContact O-N 3.41Å; L1325-R1329 VanDerWaalsContact O-CB 3.32Å; L1325-R1329 WeakPolarHBondContact O-CB 3.47Å; L1325-R1329 PolarHBondContact O-N 2.92Å |
| 1326 | N | 30.9 | Very low | 28.9 | Very low | 123.8 Ų | 123.8 | 135.2 Ų | 135.2 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -101.9 | -0.1 | 172.4 | -82.6 | -26.1 | 0 | 0 | 0 | 112.9 | L1322 D1323 L1328 R1329 N1330 | L1322-N1326 PolarHBondContact O-N 2.83Å; L1322-N1326 VanDerWaalsContact O-N 3.15Å; D1323-N1326 PolarHBondContact O-N 2.91Å; N1326-L1328 VanDerWaalsContact C-N 3.3Å; N1326-L1328 PolarHBondContact O-N 3.09Å; N1326-R1329 PolarHBondContact O-N 2.85Å; N1326-N1330 WeakPolarHBondContact O-CB 3.25Å; N1326-N1330 PolarHBondContact O-N 2.92Å; N1326-N1330 VanDerWaalsContact O-N 3.08Å; N1326-N1330 PolarHBondContact O-ND2 3.11Å; N1326-N1330 PolarHBondContact O-OD1 3.37Å |
| 1327 | V | 31.4 | Very low | 28.9 | Very low | 106.6 Ų | 106.6 | 136 Ų | 136 | 65% | 0.646 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -94.6 | -15.8 | 177.9 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | D1323 R1329 S1331 | D1323-V1327 VanDerWaalsContact O-CG2 3.3Å; D1323-V1327 WeakPolarHBondContact O-CG2 3.38Å; D1323-V1327 PolarHBondContact O-N 2.79Å; V1327-R1329 VanDerWaalsContact C-N 3.32Å; V1327-R1329 PolarHBondContact O-N 2.91Å; V1327-S1331 WeakPolarHBondContact O-CB 3.38Å; V1327-S1331 PolarHBondContact O-N 2.91Å; V1327-S1331 PolarHBondContact O-OG 3.06Å |
| 1328 | L | 29.8 | Very low | 29 | Very low | 133.2 Ų | 133.2 | 136.6 Ų | 136.6 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -97 | 7.9 | 176.6 | -87 | 162.7 | 0 | 0 | 0 | 113.1 | R1324 L1325 N1326 S1331 I1332 | R1324-L1328 PolarHBondContact O-N 3.32Å; L1325-L1328 PolarHBondContact O-N 3.41Å; N1326-L1328 VanDerWaalsContact C-N 3.3Å; N1326-L1328 PolarHBondContact O-N 3.09Å; L1328-S1331 WeakPolarHBondContact CA-OG 3.31Å; L1328-S1331 PolarHBondContact O-N 3.01Å; L1328-S1331 PolarHBondContact O-OG 3.05Å; L1328-I1332 WeakPolarHBondContact O-CB 3.32Å; L1328-I1332 VanDerWaalsContact O-CD1 3.32Å; L1328-I1332 WeakPolarHBondContact O-CD1 2.96Å; L1328-I1332 WeakPolarHBondContact O-CG1 3.37Å; L1328-I1332 PolarHBondContact O-N 3.02Å; L1328-I1332 VanDerWaalsContact O-N 3.11Å |
| 1329 | R | 29.1 | Very low | 29 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -110.3 | -11.5 | 176.2 | -149.5 | 173.9 | -141.3 | 172.1 | 1.4 | 114.3 | L1325 N1326 V1327 I1332 A1333 D1643 | L1325-R1329 VanDerWaalsContact O-CB 3.32Å; L1325-R1329 WeakPolarHBondContact O-CB 3.47Å; L1325-R1329 PolarHBondContact O-N 2.92Å; N1326-R1329 PolarHBondContact O-N 2.85Å; V1327-R1329 VanDerWaalsContact C-N 3.32Å; V1327-R1329 PolarHBondContact O-N 2.91Å; R1329-I1332 PolarHBondContact O-N 2.82Å; R1329-A1333 PolarHBondContact O-N 2.87Å; R1329-D1643 IonicContact NH2-OD2 3.53Å; R1329-D1643 PolarHBondContact NH2-OD2 2.86Å |
| 1330 | N | 28.5 | Very low | 29 | Very low | 139.8 Ų | 139.8 | 134.4 Ų | 134.4 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -109.5 | 19.1 | 175.2 | -74 | 0.7 | 0 | 0 | 0 | 111.4 | N1326 I1332 A1333 D1334 | N1326-N1330 WeakPolarHBondContact O-CB 3.25Å; N1326-N1330 PolarHBondContact O-N 2.92Å; N1326-N1330 VanDerWaalsContact O-N 3.08Å; N1326-N1330 PolarHBondContact O-ND2 3.11Å; N1326-N1330 PolarHBondContact O-OD1 3.37Å; N1330-I1332 VanDerWaalsContact C-N 3.33Å; N1330-I1332 PolarHBondContact O-N 2.8Å; N1330-A1333 PolarHBondContact O-N 2.79Å; N1330-D1334 VanDerWaalsContact O-CB 3.27Å; N1330-D1334 WeakPolarHBondContact O-CB 3.43Å; N1330-D1334 PolarHBondContact O-N 2.9Å |
| 1331 | S | 29.6 | Very low | 29.1 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -121 | 26.9 | 174.3 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | V1327 L1328 | V1327-S1331 WeakPolarHBondContact O-CB 3.38Å; V1327-S1331 PolarHBondContact O-N 2.91Å; V1327-S1331 PolarHBondContact O-OG 3.06Å; L1328-S1331 WeakPolarHBondContact CA-OG 3.31Å; L1328-S1331 PolarHBondContact O-N 3.01Å; L1328-S1331 PolarHBondContact O-OG 3.05Å |
| 1332 | I | 30.2 | Very low | 29.1 | Very low | 159.2 Ų | 159.2 | 136.9 Ų | 136.9 | 82% | 0.816 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -116.8 | 40 | 174.7 | -59.5 | 170.1 | 0 | 0 | 0 | 109.5 | L1328 R1329 N1330 | L1328-I1332 WeakPolarHBondContact O-CB 3.32Å; L1328-I1332 VanDerWaalsContact O-CD1 3.32Å; L1328-I1332 WeakPolarHBondContact O-CD1 2.96Å; L1328-I1332 WeakPolarHBondContact O-CG1 3.37Å; L1328-I1332 PolarHBondContact O-N 3.02Å; L1328-I1332 VanDerWaalsContact O-N 3.11Å; R1329-I1332 PolarHBondContact O-N 2.82Å; N1330-I1332 VanDerWaalsContact C-N 3.33Å; N1330-I1332 PolarHBondContact O-N 2.8Å |
| 1333 | A | 30.6 | Very low | 29 | Very low | 80.4 Ų | 80.4 | 140.4 Ų | 140.4 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -133.9 | 50.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1329 N1330 A1335 S1336 | R1329-A1333 PolarHBondContact O-N 2.87Å; N1330-A1333 PolarHBondContact O-N 2.79Å; A1333-A1335 PolarHBondContact O-N 3.25Å; A1333-S1336 PolarHBondContact O-N 3.21Å; A1333-S1336 PolarHBondContact O-OG 2.81Å; A1333-S1336 VanDerWaalsContact O-OG 3.05Å |
| 1334 | D | 27.8 | Very low | 28.9 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | -49.5 | 68.2 | 171.6 | -72.2 | -30 | 0 | 0 | 0 | 115.4 | N1330 S1336 S1337 | N1330-D1334 VanDerWaalsContact O-CB 3.27Å; N1330-D1334 WeakPolarHBondContact O-CB 3.43Å; N1330-D1334 PolarHBondContact O-N 2.9Å; D1334-S1336 PolarHBondContact O-N 2.86Å; D1334-S1337 PolarHBondContact O-N 2.78Å; D1334-S1337 PolarHBondContact O-OG 3.31Å | ||
| 1335 | A | 28.5 | Very low | 28.8 | Very low | 92.2 Ų | 92.2 | 137 Ų | 137 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -114.4 | 64.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114 | A1333 | A1333-A1335 PolarHBondContact O-N 3.25Š| ||
| 1336 | S | 27.2 | Very low | 28.7 | Very low | 114.8 Ų | 114.8 | 137.7 Ų | 137.7 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | -109.8 | 88.2 | 161.4 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | A1333 D1334 | A1333-S1336 PolarHBondContact O-N 3.21Å; A1333-S1336 PolarHBondContact O-OG 2.81Å; A1333-S1336 VanDerWaalsContact O-OG 3.05Å; D1334-S1336 PolarHBondContact O-N 2.86Å | ||
| 1337 | S | 26.6 | Very low | 28.5 | Very low | 96.4 Ų | 96.4 | 139.3 Ų | 139.3 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | -112.6 | 140.9 | 163.9 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | D1334 E1339 | D1334-S1337 PolarHBondContact O-N 2.78Å; D1334-S1337 PolarHBondContact O-OG 3.31Å; S1337-E1339 PolarHBondContact O-N 3.15Å; S1337-E1339 VanDerWaalsContact O-N 3.1Å | ||
| 1338 | P | 30.3 | Very low | 28.3 | Very low | 116.8 Ų | 116.8 | 141.7 Ų | 141.7 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | -97.5 | 103.6 | -170.8 | 35.9 | -29.7 | 0 | 0 | 0 | 113.2 | F1340 V1341 | P1338-F1340 VanDerWaalsContact C-N 3.26Å; P1338-F1340 PolarHBondContact O-N 2.86Å; P1338-V1341 PolarHBondContact O-N 2.85Å | ||
| 1339 | E | 26.9 | Very low | 28.3 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -121.3 | 85.1 | 173.9 | -65.1 | -171.4 | 167.4 | 0 | 0 | 114.4 | S1337 V1341 E1342 | S1337-E1339 PolarHBondContact O-N 3.15Å; S1337-E1339 VanDerWaalsContact O-N 3.1Å; E1339-V1341 VanDerWaalsContact C-N 3.27Å; E1339-V1341 PolarHBondContact O-N 2.91Å; E1339-E1342 PolarHBondContact O-N 2.82Å | ||
| 1340 | F | 27.7 | Very low | 28.1 | Very low | 193.4 Ų | 193.4 | 136.5 Ų | 136.5 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -127.6 | 69.8 | 144 | -122.5 | -93.6 | 0 | 0 | 0 | 113.6 | P1338 E1342 | P1338-F1340 VanDerWaalsContact C-N 3.26Å; P1338-F1340 PolarHBondContact O-N 2.86Å; F1340-E1342 VanDerWaalsContact C-N 3.33Å | ||
| 1341 | V | 28.6 | Very low | 28.2 | Very low | 123.8 Ų | 123.8 | 134.8 Ų | 134.8 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | -93.6 | 85.3 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | P1338 E1339 R1343 Q1344 | P1338-V1341 PolarHBondContact O-N 2.85Å; E1339-V1341 VanDerWaalsContact C-N 3.27Å; E1339-V1341 PolarHBondContact O-N 2.91Å; V1341-R1343 PolarHBondContact O-N 2.81Å; V1341-Q1344 PolarHBondContact O-N 2.86Å | ||
| 1342 | E | 28.2 | Very low | 28.1 | Very low | 161.4 Ų | 161.4 | 137.6 Ų | 137.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -149.2 | 88.3 | 170.5 | -128.2 | 179.1 | -154.3 | 0 | 0 | 115.3 | E1339 F1340 S1345 | E1339-E1342 PolarHBondContact O-N 2.82Å; F1340-E1342 VanDerWaalsContact C-N 3.33Å; E1342-S1345 PolarHBondContact O-OG 2.85Å | ||
| 1343 | R | 29 | Very low | 28 | Very low | 221.6 Ų | 221.6 | 137.2 Ų | 137.2 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -142.3 | 57.2 | 138.6 | -74.1 | -177.5 | -178 | 175 | 1.4 | 115.5 | V1341 | V1341-R1343 PolarHBondContact O-N 2.81Š| ||
| 1344 | Q | 27.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -97.7 | 77.9 | 159 | -80.2 | -170.9 | -2.3 | 0 | 0 | 114.8 | V1341 L1346 L1347 | V1341-Q1344 PolarHBondContact O-N 2.86Å; Q1344-L1346 PolarHBondContact O-N 3.43Å; Q1344-L1347 PolarHBondContact O-N 3.29Å |
| 1345 | S | 27.1 | Very low | 27.7 | Very low | 93.4 Ų | 93.4 | 140.3 Ų | 140.3 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | trans | -150.9 | 92.5 | 152.3 | 17.9 | 0 | 0 | 0 | 0 | 114.1 | E1342 L1347 | E1342-S1345 PolarHBondContact O-OG 2.85Å; S1345-L1347 VanDerWaalsContact C-N 3.34Å | ||
| 1346 | L | 28.1 | Very low | 27.7 | Very low | 159.4 Ų | 159.4 | 139.5 Ų | 139.5 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -156.4 | 110.5 | 144.2 | -81.7 | 177.1 | 0 | 0 | 0 | 110.5 | Q1344 | Q1344-L1346 PolarHBondContact O-N 3.43Š| ||
| 1347 | L | 26.7 | Very low | 27.8 | Very low | 158.8 Ų | 158.8 | 140 Ų | 140 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | 178.9 | 91.1 | 171.3 | -80.5 | 169.3 | 0 | 0 | 0 | 113.4 | Q1344 S1345 | Q1344-L1347 PolarHBondContact O-N 3.29Å; S1345-L1347 VanDerWaalsContact C-N 3.34Å | ||
| 1348 | Q | 25.5 | Very low | 27.9 | Very low | 156.8 Ų | 156.8 | 140.2 Ų | 140.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 157.8 | 154.7 | -68.1 | -172.9 | -1.2 | 0 | 0 | 111.9 | S1350 H1816 | Q1348-S1350 PolarHBondContact O-N 3.01Å; Q1348-S1350 VanDerWaalsContact O-N 3.15Å; Q1348-H1816 PolarHBondContact NE2-NE2 3.47Å | ||
| 1349 | P | 30.1 | Very low | 27.8 | Very low | 117.4 Ų | 117.4 | 138.6 Ų | 138.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -116.9 | 138.4 | 146.8 | 33.8 | -22.9 | 0 | 0 | 0 | 113.3 | S1351 | P1349-S1351 PolarHBondContact O-N 3.01Š| ||
| 1350 | S | 25.8 | Very low | 27.8 | Very low | 109.6 Ų | 109.6 | 134.2 Ų | 134.2 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | 172.7 | 137.7 | 145.7 | 60.9 | 0 | 0 | 0 | 0 | 113 | Q1348 V1352 | Q1348-S1350 PolarHBondContact O-N 3.01Å; Q1348-S1350 VanDerWaalsContact O-N 3.15Å; S1350-V1352 VanDerWaalsContact C-N 3.33Å; S1350-V1352 PolarHBondContact O-N 2.95Å | ||
| 1351 | S | 29.2 | Very low | 27.7 | Very low | 102.4 Ų | 102.4 | 136.7 Ų | 136.7 | 72% | 0.716 | 80% | 0.798 | S | S | * | * | trans | -114.3 | 130.7 | 146.9 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | P1349 I1353 | P1349-S1351 PolarHBondContact O-N 3.01Å; S1351-I1353 VanDerWaalsContact C-N 3.26Å; S1351-I1353 PolarHBondContact O-N 2.76Å; S1351-I1353 VanDerWaalsContact O-N 3.11Å | ||
| 1352 | V | 28.8 | Very low | 27.9 | Very low | 137.6 Ų | 137.6 | 136.4 Ų | 136.4 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -20.4 | 116.1 | 137.8 | 175.2 | 0 | 0 | 0 | 0 | 113.8 | S1350 A1354 | S1350-V1352 VanDerWaalsContact C-N 3.33Å; S1350-V1352 PolarHBondContact O-N 2.95Å; V1352-A1354 PolarHBondContact O-N 3.35Å | ||
| 1353 | I | 27 | Very low | 27.8 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 135.7 | 163.5 | -62.9 | 166.4 | 0 | 0 | 0 | 111.8 | S1351 K1355 | S1351-I1353 VanDerWaalsContact C-N 3.26Å; S1351-I1353 PolarHBondContact O-N 2.76Å; S1351-I1353 VanDerWaalsContact O-N 3.11Å; I1353-K1355 VanDerWaalsContact C-N 3.26Å; I1353-K1355 HydrophobicContact CG2-CG 4.5Å; I1353-K1355 PolarHBondContact O-N 3.05Å | ||
| 1354 | A | 26.7 | Very low | 27.7 | Very low | 85.6 Ų | 85.6 | 130.6 Ų | 130.6 | 71% | 0.707 | 80% | 0.797 | S | S | * | * | trans | -143 | 142.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1352 G1356 | V1352-A1354 PolarHBondContact O-N 3.35Å; A1354-G1356 PolarHBondContact O-N 2.73Å | ||
| 1355 | K | 27 | Very low | 27.7 | Very low | 207 Ų | 207 | 130 Ų | 130 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | 10.7 | 130.7 | 156.8 | -63.9 | 176.9 | 178.1 | 177.1 | 0 | 115.1 | I1353 S1357 | I1353-K1355 VanDerWaalsContact C-N 3.26Å; I1353-K1355 HydrophobicContact CG2-CG 4.5Å; I1353-K1355 PolarHBondContact O-N 3.05Å; K1355-S1357 PolarHBondContact O-N 3.08Å | ||
| 1356 | G | 28.4 | Very low | 27.7 | Very low | 74.8 Ų | 74.8 | 133.6 Ų | 133.6 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | trans | 169.8 | 116.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1354 | A1354-G1356 PolarHBondContact O-N 2.73Š| ||
| 1357 | S | 28 | Very low | 27.7 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | 76.8 | 138.9 | 145.9 | -133.5 | 0 | 0 | 0 | 0 | 116.7 | K1355 | K1355-S1357 PolarHBondContact O-N 3.08Š| ||
| 1358 | A | 29.6 | Very low | 27.7 | Very low | 99.6 Ų | 99.6 | 135.2 Ų | 135.2 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | 157.1 | 143.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1359 | G | 26.9 | Very low | 27.7 | Very low | 83.6 Ų | 83.6 | 136.5 Ų | 136.5 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | cis | 127.5 | 119.1 | 46 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1360 | G | 28.2 | Very low | 27.7 | Very low | 80.6 Ų | 80.6 | 140.7 Ų | 140.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | 170.4 | 111.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1361 | R | 25.2 | Very low | 27.8 | Very low | 246 Ų | 246 | 140 Ų | 140 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 159.8 | 170.6 | -92.4 | -179.4 | 176.3 | -178.7 | -0.6 | 109.6 | S1363 | R1361-S1363 PolarHBondContact O-N 2.94Š| ||
| 1362 | P | 32.7 | Very low | 27.7 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | cis | -130.2 | 176.2 | 11.9 | 34.1 | -18 | 0 | 0 | 0 | 114.3 | ||||
| 1363 | S | 27.5 | Very low | 27.8 | Very low | 105.8 Ų | 105.8 | 144.5 Ų | 144.5 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | 73.4 | 147.8 | 162.2 | 64.9 | 0 | 0 | 0 | 0 | 118.3 | R1361 H1365 | R1361-S1363 PolarHBondContact O-N 2.94Å; S1363-H1365 PolarHBondContact O-N 3.17Å | ||
| 1364 | L | 26.9 | Very low | 27.8 | Very low | 154.4 Ų | 154.4 | 147.4 Ų | 147.4 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -170 | 139.4 | 156 | -91.8 | 151.1 | 0 | 0 | 0 | 113.9 | K1366 | L1364-K1366 PolarHBondContact O-N 2.9Š| ||
| 1365 | H | 26.8 | Very low | 27.9 | Very low | 162.8 Ų | 162.8 | 154.5 Ų | 154.5 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 74.8 | 115 | 146.3 | -108.7 | -4.8 | 0 | 0 | 0 | 117 | S1363 I1367 | S1363-H1365 PolarHBondContact O-N 3.17Å; H1365-I1367 PolarHBondContact O-N 3.3Å | ||
| 1366 | K | 27.1 | Very low | 27.9 | Very low | 169.6 Ų | 169.6 | 153.5 Ų | 153.5 | 74% | 0.737 | 81% | 0.806 | S | S | * | * | 111.3 | 139.7 | 129.8 | -106.8 | 179.5 | -174.1 | 171.7 | 0 | 115 | L1364 R1368 | L1364-K1366 PolarHBondContact O-N 2.9Å; K1366-R1368 PolarHBondContact O-N 3.1Å | |||
| 1367 | I | 27.3 | Very low | 27.9 | Very low | 137.8 Ų | 137.8 | 153.6 Ų | 153.6 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | trans | 114.3 | 122.7 | 145.1 | -72 | 158.8 | 0 | 0 | 0 | 113.8 | H1365 F1369 | H1365-I1367 PolarHBondContact O-N 3.3Å; I1367-F1369 HydrophobicContact CG2-CD2 4.4Å; I1367-F1369 HydrophobicContact CG2-CE2 4.16Å; I1367-F1369 PolarHBondContact O-N 2.99Å | ||
| 1368 | R | 26.2 | Very low | 28 | Very low | 213.6 Ų | 213.6 | 158.4 Ų | 158.4 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -17.2 | 141.8 | 141.4 | -92.9 | 175.5 | -178.7 | 166.3 | -0.2 | 112.9 | K1366 Y1370 | K1366-R1368 PolarHBondContact O-N 3.1Å; R1368-Y1370 PolarHBondContact NH1-OH 2.84Å; R1368-Y1370 VanDerWaalsContact NH1-OH 3.07Å; R1368-Y1370 PolarHBondContact O-N 3.23Å | ||
| 1369 | F | 26.5 | Very low | 28 | Very low | 184.8 Ų | 184.8 | 164.1 Ų | 164.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -121.7 | 142.1 | 136 | -79.8 | -86.5 | 0 | 0 | 0 | 110.6 | I1367 A1371 | I1367-F1369 HydrophobicContact CG2-CD2 4.4Å; I1367-F1369 HydrophobicContact CG2-CE2 4.16Å; I1367-F1369 PolarHBondContact O-N 2.99Å; F1369-A1371 PolarHBondContact O-N 3.22Å; F1369-A1371 VanDerWaalsContact O-N 3.13Å | ||
| 1370 | Y | 29 | Very low | 28.1 | Very low | 204.2 Ų | 204.2 | 170.5 Ų | 170.5 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | 70.6 | 129.4 | 124.4 | -76.4 | -81.7 | 0 | 0 | 0 | 111 | R1368 E1372 | R1368-Y1370 PolarHBondContact NH1-OH 2.84Å; R1368-Y1370 VanDerWaalsContact NH1-OH 3.07Å; R1368-Y1370 PolarHBondContact O-N 3.23Å; Y1370-E1372 PolarHBondContact O-N 2.98Å | |||
| 1371 | A | 28.6 | Very low | 28.2 | Very low | 95.2 Ų | 95.2 | 172.8 Ų | 172.8 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | -140.7 | 130 | 76 | 0 | 0 | 0 | 0 | 0 | 109.6 | F1369 K1373 | F1369-A1371 PolarHBondContact O-N 3.22Å; F1369-A1371 VanDerWaalsContact O-N 3.13Å; A1371-K1373 PolarHBondContact O-N 3.06Å; A1371-K1373 VanDerWaalsContact O-N 3.09Å | |||
| 1372 | E | 28.3 | Very low | 28.5 | Very low | 143.2 Ų | 143.2 | 169.4 Ų | 169.4 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -136.9 | 128.3 | -174.3 | -167.4 | 177.1 | -165 | 0 | 0 | 110.9 | Y1370 R1374 | Y1370-E1372 PolarHBondContact O-N 2.98Å; E1372-R1374 HydrophobicContact CG-CG 4.45Å; E1372-R1374 PolarHBondContact O-N 3.49Å; E1372-R1374 WeakPolarHBondContact OE1-CG 2.94Å; E1372-R1374 IonicContact OE1-CZ 3.3Å; E1372-R1374 IonicContact OE1-NE 3.74Å; E1372-R1374 PolarHBondContact OE1-NE 2.86Å; E1372-R1374 IonicContact OE1-NH2 3.08Å; E1372-R1374 PolarHBondContact OE1-NH2 2.91Å; E1372-R1374 VanDerWaalsContact OE2-CD 3.31Å; E1372-R1374 WeakPolarHBondContact OE2-CD 3.39Å; E1372-R1374 IonicContact OE2-CZ 3.18Å; E1372-R1374 IonicContact OE2-NE 2.77Å; E1372-R1374 PolarHBondContact OE2-NE 2.91Å; E1372-R1374 IonicContact OE2-NH2 2.76Å; E1372-R1374 PolarHBondContact OE2-NH2 2.79Å | ||
| 1373 | K | 29.2 | Very low | 28.3 | Very low | 192.8 Ų | 192.8 | 169.9 Ų | 169.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -125.3 | 119.6 | 150.7 | -81.3 | 177.5 | -177.6 | 169.9 | 0 | 113.3 | A1371 R1375 | A1371-K1373 PolarHBondContact O-N 3.06Å; A1371-K1373 VanDerWaalsContact O-N 3.09Å; K1373-R1375 PolarHBondContact O-N 3.18Å | ||
| 1374 | R | 28.1 | Very low | 28.4 | Very low | 212 Ų | 212 | 171.2 Ų | 171.2 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 143.9 | 138 | -69.2 | 179.6 | -179.2 | 177 | 2 | 112.3 | E1372 | E1372-R1374 HydrophobicContact CG-CG 4.45Å; E1372-R1374 PolarHBondContact O-N 3.49Å; E1372-R1374 WeakPolarHBondContact OE1-CG 2.94Å; E1372-R1374 IonicContact OE1-CZ 3.3Å; E1372-R1374 IonicContact OE1-NE 3.74Å; E1372-R1374 PolarHBondContact OE1-NE 2.86Å; E1372-R1374 IonicContact OE1-NH2 3.08Å; E1372-R1374 PolarHBondContact OE1-NH2 2.91Å; E1372-R1374 VanDerWaalsContact OE2-CD 3.31Å; E1372-R1374 WeakPolarHBondContact OE2-CD 3.39Å; E1372-R1374 IonicContact OE2-CZ 3.18Å; E1372-R1374 IonicContact OE2-NE 2.77Å; E1372-R1374 PolarHBondContact OE2-NE 2.91Å; E1372-R1374 IonicContact OE2-NH2 2.76Å; E1372-R1374 PolarHBondContact OE2-NH2 2.79Å | ||
| 1375 | R | 28.5 | Very low | 28.5 | Very low | 232.8 Ų | 232.8 | 167.8 Ų | 167.8 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -143.3 | 133.9 | 130.7 | -98.1 | 170.6 | 178.3 | -177.6 | -0.5 | 112.6 | K1373 | K1373-R1375 PolarHBondContact O-N 3.18Š| ||
| 1376 | M | 26.4 | Very low | 28.7 | Very low | 187.6 Ų | 187.6 | 168.1 Ų | 168.1 | 92% | 0.924 | 79% | 0.785 | S | S | * | * | trans | 23.8 | 132.4 | 143 | -64.2 | -93.8 | -86.1 | 0 | 0 | 116.8 | ||||
| 1377 | G | 29.7 | Very low | 28.9 | Very low | 75.6 Ų | 75.6 | 168.7 Ų | 168.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 169.2 | 98 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1379 | G1377-R1379 PolarHBondContact O-N 3.02Š| ||
| 1378 | R | 28.8 | Very low | 29 | Very low | 228.2 Ų | 228.2 | 166.1 Ų | 166.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -34.1 | 135.8 | 160.6 | -79.5 | -179.8 | 170.6 | -175.7 | -1.5 | 116.3 | ||||
| 1379 | R | 29.6 | Very low | 29.1 | Very low | 219.4 Ų | 219.4 | 160 Ų | 160 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | 112.5 | 136.4 | 123.1 | -95.7 | 178.3 | 176.2 | 179.8 | -1.9 | 116.1 | G1377 | G1377-R1379 PolarHBondContact O-N 3.02Š| |||
| 1380 | R | 29.8 | Very low | 29.2 | Very low | 216.6 Ų | 216.6 | 154.9 Ų | 154.9 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | 129.7 | 132.6 | 124.3 | -141 | -176.8 | -175 | 177.5 | 1.3 | 116.9 | |||||
| 1381 | N | 29.8 | Very low | 29.3 | Very low | 130.2 Ų | 130.2 | 150.5 Ų | 150.5 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | 73.4 | 135.8 | 145.7 | -86.9 | 8.3 | 0 | 0 | 0 | 121.3 | ||||
| 1382 | K | 31.7 | Very low | 29.4 | Very low | 172.8 Ų | 172.8 | 155.4 Ų | 155.4 | 75% | 0.751 | 80% | 0.803 | S | S | * | * | 117.7 | 130.1 | 94.8 | -103.2 | -172.4 | 173.3 | -174.8 | 0 | 117.5 | |||||
| 1383 | N | 27.8 | Very low | 29.6 | Very low | 129.4 Ų | 129.4 | 156.2 Ų | 156.2 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | 46.4 | 140.8 | 142.8 | -62.8 | 13.6 | 0 | 0 | 0 | 119 | ||||
| 1384 | T | 30.4 | Very low | 29.7 | Very low | 131.4 Ų | 131.4 | 155.5 Ų | 155.5 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | 165.3 | 138.4 | 100.3 | 38.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1385 | A | 28.9 | Very low | 29.9 | Very low | 84 Ų | 84 | 150.7 Ų | 150.7 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | 148.9 | 152.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1386 | E | 31.6 | Very low | 29.9 | Very low | 169.4 Ų | 169.4 | 144.1 Ų | 144.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | 168.8 | 140.9 | 129.1 | -93.1 | 177.6 | 162.8 | 0 | 0 | 113.8 | |||||
| 1387 | Q | 30.6 | Very low | 30.4 | Very low | 181.4 Ų | 181.4 | 141 Ų | 141 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 54.5 | 137.7 | 146.5 | -73.8 | -176.7 | 24.9 | 0 | 0 | 115.9 | ||||
| 1388 | G | 30.5 | Very low | 30.7 | Very low | 82.8 Ų | 82.8 | 144.6 Ų | 144.6 | 85% | 0.854 | 79% | 0.787 | S | S | * | * | trans | 145.9 | 85.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1389 | G | 26.7 | Very low | 31.2 | Very low | 85.8 Ų | 85.8 | 141.6 Ų | 141.6 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -147.5 | 119.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1390 | G | 29.9 | Very low | 31.7 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -161.1 | 98 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1392 | G1390-K1392 PolarHBondContact O-N 3.26Š| ||
| 1391 | S | 30.4 | Very low | 32.2 | Very low | 110.2 Ų | 110.2 | 133.5 Ų | 133.5 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -86.5 | 126.2 | 160.8 | 162.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1392 | K | 31.5 | Very low | 32.9 | Very low | 198.4 Ų | 198.4 | 135.8 Ų | 135.8 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | trans | -153.1 | 118 | 154.3 | -79.1 | 172.2 | -174.1 | 173 | 0 | 114.7 | G1390 | G1390-K1392 PolarHBondContact O-N 3.26Š| ||
| 1393 | M | 30.7 | Very low | 33.9 | Very low | 161.4 Ų | 161.4 | 133.6 Ų | 133.6 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | -117.8 | 124.7 | 149.6 | -118 | -179.4 | 161.4 | 0 | 0 | 114.2 | ||||
| 1394 | K | 32.2 | Very low | 35.1 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 82.5 | 95.8 | 145.9 | -69.1 | -179 | 178.9 | -177.3 | 0 | 117.1 | ||||
| 1395 | S | 31.6 | Very low | 36.2 | Very low | 111.6 Ų | 111.6 | 134.1 Ų | 134.1 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | -60.8 | 92.4 | 121.1 | 166.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1396 | S | 30.2 | Very low | 38.2 | Very low | 94.4 Ų | 94.4 | 132.1 Ų | 132.1 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | trans | -130.8 | 64.4 | 165.2 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1397 | T | 36.9 | Very low | 40 | Very low | 121.8 Ų | 121.8 | 131 Ų | 131 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -140.2 | 23.6 | 174.2 | 24.6 | 0 | 0 | 0 | 0 | 113.2 | E1399 M1400 | T1397-E1399 VanDerWaalsContact C-N 3.33Å; T1397-M1400 HydrophobicContact CG2-CB 3.52Å; T1397-M1400 HydrophobicContact CG2-SD 4.35Å |
| 1398 | L | 35.9 | Very low | 41.8 | Very low | 151.8 Ų | 151.8 | 126 Ų | 126 | 80% | 0.795 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -127.3 | 13.4 | 175.1 | -126 | 139.4 | 0 | 0 | 0 | 114.3 | ||
| 1399 | E | 38.1 | Very low | 43.8 | Very low | 165.2 Ų | 165.2 | 124.6 Ų | 124.6 | 77% | 0.772 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -115.1 | -13.8 | 176.2 | -76.3 | -177.2 | 148.1 | 0 | 0 | 113.5 | T1397 T1401 K1402 D1403 | T1397-E1399 VanDerWaalsContact C-N 3.33Å; E1399-T1401 VanDerWaalsContact C-N 3.28Å; E1399-T1401 PolarHBondContact O-N 3.05Å; E1399-K1402 PolarHBondContact O-N 2.74Å; E1399-K1402 VanDerWaalsContact O-N 3.09Å; E1399-D1403 PolarHBondContact O-N 2.67Å |
| 1400 | M | 40.3 | Very low | 46 | Very low | 166.2 Ų | 166.2 | 127.7 Ų | 127.7 | 82% | 0.819 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76 | -16.3 | -176.8 | -108.8 | 178.7 | 85.3 | 0 | 0 | 114.9 | T1397 L1404 | T1397-M1400 HydrophobicContact CG2-CB 3.52Å; T1397-M1400 HydrophobicContact CG2-SD 4.35Å; M1400-L1404 PolarHBondContact O-N 3.12Å |
| 1401 | T | 41.2 | Very low | 48.1 | Very low | 99.6 Ų | 99.6 | 128.1 Ų | 128.1 | 61% | 0.611 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -96.7 | -6.6 | 176.7 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | E1399 D1403 L1404 Y1405 | E1399-T1401 VanDerWaalsContact C-N 3.28Å; E1399-T1401 PolarHBondContact O-N 3.05Å; T1401-D1403 VanDerWaalsContact C-N 3.28Å; T1401-D1403 PolarHBondContact O-N 3.18Å; T1401-D1403 VanDerWaalsContact O-N 3.08Å; T1401-L1404 PolarHBondContact O-N 3.11Å; T1401-Y1405 WeakPolarHBondContact O-CD2 3.39Å; T1401-Y1405 PolarHBondContact O-N 3.21Å |
| 1402 | K | 43 | Very low | 50 | Low | 178 Ų | 178 | 128.2 Ų | 128.2 | 77% | 0.774 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.5 | -21.9 | 174.8 | -82.3 | -178.3 | 175.7 | 173.9 | 0 | 112 | E1399 L1404 Y1405 G1406 | E1399-K1402 PolarHBondContact O-N 2.74Å; E1399-K1402 VanDerWaalsContact O-N 3.09Å; K1402-L1404 VanDerWaalsContact C-N 3.32Å; K1402-Y1405 PolarHBondContact O-N 2.99Å; K1402-G1406 PolarHBondContact O-N 2.89Å |
| 1403 | D | 54 | Low | 52 | Low | 127.8 Ų | 127.8 | 124.3 Ų | 124.3 | 68% | 0.683 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.8 | -28.8 | -177.8 | -152.3 | 17.6 | 0 | 0 | 0 | 112.6 | E1399 T1401 Y1405 G1406 W1407 | E1399-D1403 PolarHBondContact O-N 2.67Å; T1401-D1403 VanDerWaalsContact C-N 3.28Å; T1401-D1403 PolarHBondContact O-N 3.18Å; T1401-D1403 VanDerWaalsContact O-N 3.08Å; D1403-Y1405 VanDerWaalsContact C-N 3.29Å; D1403-Y1405 PolarHBondContact O-N 2.96Å; D1403-G1406 CarbonylContact O-C 3.47Å; D1403-G1406 PolarHBondContact O-N 3.18Å; D1403-G1406 VanDerWaalsContact O-N 3.15Å; D1403-W1407 VanDerWaalsContact O-CB 3.31Å; D1403-W1407 WeakPolarHBondContact O-CB 3.35Å; D1403-W1407 PolarHBondContact O-N 2.89Å |
| 1404 | L | 52.3 | Low | 54 | Low | 99.8 Ų | 99.8 | 118.3 Ų | 118.3 | 52% | 0.523 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 179.4 | -166.6 | 72.6 | 0 | 0 | 0 | 113 | M1400 T1401 K1402 G1406 W1407 M1408 | M1400-L1404 PolarHBondContact O-N 3.12Å; T1401-L1404 PolarHBondContact O-N 3.11Å; K1402-L1404 VanDerWaalsContact C-N 3.32Å; L1404-G1406 VanDerWaalsContact C-N 3.35Å; L1404-G1406 PolarHBondContact O-N 3Å; L1404-W1407 HydrophobicContact CD1-CE3 4.23Å; L1404-W1407 PolarHBondContact O-N 3.08Å; L1404-M1408 HydrophobicContact CB-CE 4.4Å; L1404-M1408 HydrophobicContact CD2-CE 4.25Å; L1404-M1408 HydrophobicContact CD2-SD 4.16Å; L1404-M1408 HydrophobicContact CG-CE 4.19Å; L1404-M1408 HydrophobicContact CG-CG 4.14Å; L1404-M1408 HydrophobicContact CG-SD 4.1Å; L1404-M1408 WeakPolarHBondContact O-CB 3.42Å; L1404-M1408 VanDerWaalsContact O-CG 3.26Å; L1404-M1408 WeakPolarHBondContact O-CG 3.35Å; L1404-M1408 PolarHBondContact O-N 3.22Å |
| 1405 | Y | 54.3 | Low | 55.8 | Low | 171.2 Ų | 171.2 | 115.2 Ų | 115.2 | 67% | 0.671 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.8 | -37.3 | 175.3 | -89.8 | -81 | 0 | 0 | 0 | 112.4 | T1401 K1402 D1403 W1407 M1408 A1409 R1616 | T1401-Y1405 WeakPolarHBondContact O-CD2 3.39Å; T1401-Y1405 PolarHBondContact O-N 3.21Å; K1402-Y1405 PolarHBondContact O-N 2.99Å; D1403-Y1405 VanDerWaalsContact C-N 3.29Å; D1403-Y1405 PolarHBondContact O-N 2.96Å; Y1405-W1407 VanDerWaalsContact C-N 3.33Å; Y1405-M1408 HydrophobicContact CD1-CE 3.75Å; Y1405-M1408 HydrophobicContact CD2-CE 4.28Å; Y1405-M1408 HydrophobicContact CE1-CE 3.97Å; Y1405-M1408 HydrophobicContact CE2-CE 4.34Å; Y1405-M1408 HydrophobicContact CG-CE 4.09Å; Y1405-A1409 VanDerWaalsContact O-CB 3.26Å; Y1405-A1409 WeakPolarHBondContact O-CB 3.39Å; Y1405-A1409 PolarHBondContact O-N 3.21Å; Y1405-A1409 VanDerWaalsContact O-N 3.11Å; Y1405-R1616 PolarHBondContact OH-NH2 2.97Å |
| 1406 | G | 69.7 | Low | 57.5 | Low | 41.8 Ų | 41.8 | 117.5 Ų | 117.5 | 43% | 0.431 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1402 D1403 L1404 A1409 K1410 | K1402-G1406 PolarHBondContact O-N 2.89Å; D1403-G1406 CarbonylContact O-C 3.47Å; D1403-G1406 PolarHBondContact O-N 3.18Å; D1403-G1406 VanDerWaalsContact O-N 3.15Å; L1404-G1406 VanDerWaalsContact C-N 3.35Å; L1404-G1406 PolarHBondContact O-N 3Å; G1406-A1409 PolarHBondContact O-N 2.73Å; G1406-K1410 WeakPolarHBondContact O-CB 3.31Å; G1406-K1410 PolarHBondContact O-N 3.2Å |
| 1407 | W | 70.3 | Confident | 59.4 | Low | 146 Ų | 146 | 119.2 Ų | 119.2 | 55% | 0.553 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.2 | -52.7 | 175.2 | -172.8 | 77.3 | 0 | 0 | 0 | 111.3 | D1403 L1404 Y1405 A1409 K1410 E1411 | D1403-W1407 VanDerWaalsContact O-CB 3.31Å; D1403-W1407 WeakPolarHBondContact O-CB 3.35Å; D1403-W1407 PolarHBondContact O-N 2.89Å; L1404-W1407 HydrophobicContact CD1-CE3 4.23Å; L1404-W1407 PolarHBondContact O-N 3.08Å; Y1405-W1407 VanDerWaalsContact C-N 3.33Å; W1407-A1409 VanDerWaalsContact C-N 3.31Å; W1407-A1409 PolarHBondContact O-N 3.19Å; W1407-K1410 CarbonylContact O-C 3.56Å; W1407-K1410 WeakPolarHBondContact O-CA 3.44Å; W1407-K1410 WeakPolarHBondContact O-CB 3.41Å; W1407-K1410 PolarHBondContact O-N 3.08Å; W1407-K1410 VanDerWaalsContact O-N 3.11Å; W1407-E1411 HydrophobicContact CH2-CG 4.18Å; W1407-E1411 HydrophobicContact CZ2-CB 4.33Å; W1407-E1411 HydrophobicContact CZ2-CG 3.99Å; W1407-E1411 PolarHBondContact NE1-OE2 3.47Å; W1407-E1411 VanDerWaalsContact O-CB 3.29Å; W1407-E1411 WeakPolarHBondContact O-CB 3.26Å; W1407-E1411 PolarHBondContact O-N 3.24Å |
| 1408 | M | 67.5 | Low | 60.6 | Low | 75.4 Ų | 75.4 | 118.4 Ų | 118.4 | 37% | 0.371 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -56.6 | -40.8 | 177.3 | -74.2 | -172.2 | -61.1 | 0 | 0 | 113.1 | L1404 Y1405 K1410 E1411 Q1412 | L1404-M1408 HydrophobicContact CB-CE 4.4Å; L1404-M1408 HydrophobicContact CD2-CE 4.25Å; L1404-M1408 HydrophobicContact CD2-SD 4.16Å; L1404-M1408 HydrophobicContact CG-CE 4.19Å; L1404-M1408 HydrophobicContact CG-CG 4.14Å; L1404-M1408 HydrophobicContact CG-SD 4.1Å; L1404-M1408 WeakPolarHBondContact O-CB 3.42Å; L1404-M1408 VanDerWaalsContact O-CG 3.26Å; L1404-M1408 WeakPolarHBondContact O-CG 3.35Å; L1404-M1408 PolarHBondContact O-N 3.22Å; Y1405-M1408 HydrophobicContact CD1-CE 3.75Å; Y1405-M1408 HydrophobicContact CD2-CE 4.28Å; Y1405-M1408 HydrophobicContact CE1-CE 3.97Å; Y1405-M1408 HydrophobicContact CE2-CE 4.34Å; Y1405-M1408 HydrophobicContact CG-CE 4.09Å; M1408-K1410 VanDerWaalsContact C-N 3.35Å; M1408-E1411 PolarHBondContact O-N 3.13Å; M1408-Q1412 WeakPolarHBondContact O-CB 3.41Å; M1408-Q1412 WeakPolarHBondContact O-CG 3.4Å; M1408-Q1412 PolarHBondContact O-N 3.03Å |
| 1409 | A | 72.5 | Confident | 61.5 | Low | 53.6 Ų | 53.6 | 116.3 Ų | 116.3 | 44% | 0.443 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.5 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1405 G1406 W1407 Q1413 | Y1405-A1409 VanDerWaalsContact O-CB 3.26Å; Y1405-A1409 WeakPolarHBondContact O-CB 3.39Å; Y1405-A1409 PolarHBondContact O-N 3.21Å; Y1405-A1409 VanDerWaalsContact O-N 3.11Å; G1406-A1409 PolarHBondContact O-N 2.73Å; W1407-A1409 VanDerWaalsContact C-N 3.31Å; W1407-A1409 PolarHBondContact O-N 3.19Å; A1409-Q1413 VanDerWaalsContact O-CB 3.27Å; A1409-Q1413 WeakPolarHBondContact O-CB 3.3Å; A1409-Q1413 WeakPolarHBondContact O-CG 3.33Å; A1409-Q1413 PolarHBondContact O-N 3.03Å; A1409-Q1413 VanDerWaalsContact O-N 3.12Å |
| 1410 | K | 73.8 | Confident | 62.2 | Low | 151.2 Ų | 151.2 | 115.2 Ų | 115.2 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.7 | -36.1 | 176.8 | -164.3 | 178.7 | -174.5 | -176.2 | 0 | 111.7 | G1406 W1407 M1408 Q1413 A1414 | G1406-K1410 WeakPolarHBondContact O-CB 3.31Å; G1406-K1410 PolarHBondContact O-N 3.2Å; W1407-K1410 CarbonylContact O-C 3.56Å; W1407-K1410 WeakPolarHBondContact O-CA 3.44Å; W1407-K1410 WeakPolarHBondContact O-CB 3.41Å; W1407-K1410 PolarHBondContact O-N 3.08Å; W1407-K1410 VanDerWaalsContact O-N 3.11Å; M1408-K1410 VanDerWaalsContact C-N 3.35Å; K1410-Q1413 CarbonylContact O-C 3.55Å; K1410-Q1413 PolarHBondContact O-N 3.18Å; K1410-A1414 VanDerWaalsContact O-CB 3.26Å; K1410-A1414 WeakPolarHBondContact O-CB 3.24Å; K1410-A1414 PolarHBondContact O-N 3.12Å |
| 1411 | E | 73.9 | Confident | 62.6 | Low | 87.6 Ų | 87.6 | 115.3 Ų | 115.3 | 41% | 0.409 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.7 | -41.2 | 177 | -147.2 | 64 | -160.3 | 0 | 0 | 110.8 | W1407 M1408 Q1413 A1414 E1415 | W1407-E1411 HydrophobicContact CH2-CG 4.18Å; W1407-E1411 HydrophobicContact CZ2-CB 4.33Å; W1407-E1411 HydrophobicContact CZ2-CG 3.99Å; W1407-E1411 PolarHBondContact NE1-OE2 3.47Å; W1407-E1411 VanDerWaalsContact O-CB 3.29Å; W1407-E1411 WeakPolarHBondContact O-CB 3.26Å; W1407-E1411 PolarHBondContact O-N 3.24Å; M1408-E1411 PolarHBondContact O-N 3.13Å; E1411-Q1413 VanDerWaalsContact C-N 3.28Å; E1411-Q1413 PolarHBondContact O-N 3.04Å; E1411-A1414 CarbonylContact O-C 3.54Å; E1411-A1414 WeakPolarHBondContact O-CA 3.4Å; E1411-A1414 WeakPolarHBondContact O-CB 3.29Å; E1411-A1414 PolarHBondContact O-N 3.23Å; E1411-A1414 VanDerWaalsContact O-N 3.08Å; E1411-E1415 VanDerWaalsContact O-CB 3.28Å; E1411-E1415 WeakPolarHBondContact O-CB 3.22Å; E1411-E1415 PolarHBondContact O-N 3.08Å |
| 1412 | Q | 71 | Confident | 63 | Low | 111.4 Ų | 111.4 | 119.3 Ų | 119.3 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -34.8 | 168.8 | -78.5 | -172.4 | -9.7 | 0 | 0 | 112.6 | M1408 R1416 | M1408-Q1412 WeakPolarHBondContact O-CB 3.41Å; M1408-Q1412 WeakPolarHBondContact O-CG 3.4Å; M1408-Q1412 PolarHBondContact O-N 3.03Å; Q1412-R1416 VanDerWaalsContact O-CB 3.26Å; Q1412-R1416 WeakPolarHBondContact O-CB 3.27Å; Q1412-R1416 VanDerWaalsContact O-CG 3.25Å; Q1412-R1416 WeakPolarHBondContact O-CG 3.34Å; Q1412-R1416 PolarHBondContact O-N 3.29Å; Q1412-R1416 VanDerWaalsContact O-N 3.08Å |
| 1413 | Q | 71.8 | Confident | 63.1 | Low | 117.4 Ų | 117.4 | 115.2 Ų | 115.2 | 55% | 0.549 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71 | -33.8 | 171.3 | -80.5 | -169.7 | -1.4 | 0 | 0 | 112.7 | A1409 K1410 E1411 K1417 | A1409-Q1413 VanDerWaalsContact O-CB 3.27Å; A1409-Q1413 WeakPolarHBondContact O-CB 3.3Å; A1409-Q1413 WeakPolarHBondContact O-CG 3.33Å; A1409-Q1413 PolarHBondContact O-N 3.03Å; A1409-Q1413 VanDerWaalsContact O-N 3.12Å; K1410-Q1413 CarbonylContact O-C 3.55Å; K1410-Q1413 PolarHBondContact O-N 3.18Å; E1411-Q1413 VanDerWaalsContact C-N 3.28Å; E1411-Q1413 PolarHBondContact O-N 3.04Å; Q1413-K1417 WeakPolarHBondContact O-CB 3.22Å; Q1413-K1417 WeakPolarHBondContact O-CD 3.41Å; Q1413-K1417 VanDerWaalsContact O-CG 3.23Å; Q1413-K1417 WeakPolarHBondContact O-CG 3.41Å; Q1413-K1417 PolarHBondContact O-N 3.16Å; Q1413-K1417 VanDerWaalsContact O-N 3.12Å |
| 1414 | A | 74.1 | Confident | 62.5 | Low | 35.6 Ų | 35.6 | 116 Ų | 116 | 29% | 0.294 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1410 E1411 K1417 L1418 | K1410-A1414 VanDerWaalsContact O-CB 3.26Å; K1410-A1414 WeakPolarHBondContact O-CB 3.24Å; K1410-A1414 PolarHBondContact O-N 3.12Å; E1411-A1414 CarbonylContact O-C 3.54Å; E1411-A1414 WeakPolarHBondContact O-CA 3.4Å; E1411-A1414 WeakPolarHBondContact O-CB 3.29Å; E1411-A1414 PolarHBondContact O-N 3.23Å; E1411-A1414 VanDerWaalsContact O-N 3.08Å; A1414-K1417 CarbonylContact O-C 3.57Å; A1414-K1417 PolarHBondContact O-N 2.95Å; A1414-L1418 WeakPolarHBondContact O-CB 3.34Å; A1414-L1418 VanDerWaalsContact O-CD1 3.28Å; A1414-L1418 WeakPolarHBondContact O-CD1 3.16Å; A1414-L1418 WeakPolarHBondContact O-CG 3.02Å; A1414-L1418 PolarHBondContact O-N 3.19Å |
| 1415 | E | 68.8 | Low | 61.8 | Low | 111.8 Ų | 111.8 | 117 Ų | 117 | 52% | 0.522 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -47.5 | 173.7 | -116.1 | -170.9 | 156 | 0 | 0 | 111.5 | E1411 K1417 L1418 Q1419 | E1411-E1415 VanDerWaalsContact O-CB 3.28Å; E1411-E1415 WeakPolarHBondContact O-CB 3.22Å; E1411-E1415 PolarHBondContact O-N 3.08Å; E1415-K1417 VanDerWaalsContact C-N 3.31Å; E1415-K1417 PolarHBondContact O-N 2.98Å; E1415-L1418 CarbonylContact O-C 3.53Å; E1415-L1418 WeakPolarHBondContact O-CA 3.24Å; E1415-L1418 WeakPolarHBondContact O-CB 3.26Å; E1415-L1418 PolarHBondContact O-N 2.91Å; E1415-L1418 VanDerWaalsContact O-N 3.14Å; E1415-Q1419 VanDerWaalsContact O-CB 3.29Å; E1415-Q1419 WeakPolarHBondContact O-CB 3.37Å; E1415-Q1419 VanDerWaalsContact O-CG 3.23Å; E1415-Q1419 WeakPolarHBondContact O-CG 3.3Å; E1415-Q1419 PolarHBondContact O-N 3Å |
| 1416 | R | 69 | Low | 60.9 | Low | 160.4 Ų | 160.4 | 112.3 Ų | 112.3 | 61% | 0.605 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.9 | -38.5 | 174.6 | -74.5 | 173.5 | -175.6 | -170 | 2.1 | 112.2 | Q1412 Q1419 Q1420 | Q1412-R1416 VanDerWaalsContact O-CB 3.26Å; Q1412-R1416 WeakPolarHBondContact O-CB 3.27Å; Q1412-R1416 VanDerWaalsContact O-CG 3.25Å; Q1412-R1416 WeakPolarHBondContact O-CG 3.34Å; Q1412-R1416 PolarHBondContact O-N 3.29Å; Q1412-R1416 VanDerWaalsContact O-N 3.08Å; R1416-Q1419 PolarHBondContact O-N 3.04Å; R1416-Q1420 VanDerWaalsContact O-CB 3.3Å; R1416-Q1420 WeakPolarHBondContact O-CB 3.18Å; R1416-Q1420 VanDerWaalsContact O-CG 3.26Å; R1416-Q1420 WeakPolarHBondContact O-CG 3.26Å; R1416-Q1420 PolarHBondContact O-N 3.05Å |
| 1417 | K | 68.7 | Low | 59.4 | Low | 129.2 Ų | 129.2 | 118.4 Ų | 118.4 | 56% | 0.562 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.8 | -29 | 175.2 | -74.4 | 172.9 | -178.7 | 176.8 | 0 | 113.2 | Q1413 A1414 E1415 K1421 | Q1413-K1417 WeakPolarHBondContact O-CB 3.22Å; Q1413-K1417 WeakPolarHBondContact O-CD 3.41Å; Q1413-K1417 VanDerWaalsContact O-CG 3.23Å; Q1413-K1417 WeakPolarHBondContact O-CG 3.41Å; Q1413-K1417 PolarHBondContact O-N 3.16Å; Q1413-K1417 VanDerWaalsContact O-N 3.12Å; A1414-K1417 CarbonylContact O-C 3.57Å; A1414-K1417 PolarHBondContact O-N 2.95Å; E1415-K1417 VanDerWaalsContact C-N 3.31Å; E1415-K1417 PolarHBondContact O-N 2.98Å; K1417-K1421 WeakPolarHBondContact O-CB 3.41Å; K1417-K1421 WeakPolarHBondContact O-CG 3.36Å; K1417-K1421 PolarHBondContact O-N 3.03Å; K1417-K1421 VanDerWaalsContact O-N 3.15Å |
| 1418 | L | 63.2 | Low | 58 | Low | 104.6 Ų | 104.6 | 115.3 Ų | 115.3 | 55% | 0.548 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.7 | -38.1 | 172 | -92.7 | 140.5 | 0 | 0 | 0 | 111.6 | A1414 E1415 K1421 R1422 | A1414-L1418 WeakPolarHBondContact O-CB 3.34Å; A1414-L1418 VanDerWaalsContact O-CD1 3.28Å; A1414-L1418 WeakPolarHBondContact O-CD1 3.16Å; A1414-L1418 WeakPolarHBondContact O-CG 3.02Å; A1414-L1418 PolarHBondContact O-N 3.19Å; E1415-L1418 CarbonylContact O-C 3.53Å; E1415-L1418 WeakPolarHBondContact O-CA 3.24Å; E1415-L1418 WeakPolarHBondContact O-CB 3.26Å; E1415-L1418 PolarHBondContact O-N 2.91Å; E1415-L1418 VanDerWaalsContact O-N 3.14Å; L1418-K1421 CarbonylContact O-C 3.57Å; L1418-K1421 PolarHBondContact O-N 2.93Å; L1418-K1421 VanDerWaalsContact O-N 3.13Å; L1418-R1422 WeakPolarHBondContact O-CB 3.47Å; L1418-R1422 WeakPolarHBondContact O-CG 3.3Å; L1418-R1422 PolarHBondContact O-N 3.02Å |
| 1419 | Q | 54.5 | Low | 57 | Low | 109.2 Ų | 109.2 | 119.2 Ų | 119.2 | 51% | 0.51 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.4 | -47.2 | 172.5 | -71.6 | 170.5 | 1.6 | 0 | 0 | 110.5 | E1415 R1416 K1421 R1422 T1423 | E1415-Q1419 VanDerWaalsContact O-CB 3.29Å; E1415-Q1419 WeakPolarHBondContact O-CB 3.37Å; E1415-Q1419 VanDerWaalsContact O-CG 3.23Å; E1415-Q1419 WeakPolarHBondContact O-CG 3.3Å; E1415-Q1419 PolarHBondContact O-N 3Å; R1416-Q1419 PolarHBondContact O-N 3.04Å; Q1419-K1421 VanDerWaalsContact C-N 3.27Å; Q1419-K1421 PolarHBondContact O-N 3.02Å; Q1419-K1421 VanDerWaalsContact O-N 3.14Å; Q1419-R1422 PolarHBondContact O-N 3.03Å; Q1419-T1423 WeakPolarHBondContact O-CG2 3.19Å; Q1419-T1423 PolarHBondContact O-N 2.99Å; Q1419-T1423 VanDerWaalsContact O-N 3.11Å; Q1419-T1423 PolarHBondContact O-OG1 3.39Å; Q1419-T1423 VanDerWaalsContact O-OG1 3.1Å |
| 1420 | Q | 52 | Low | 56.1 | Low | 140.6 Ų | 140.6 | 122.9 Ų | 122.9 | 66% | 0.657 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.2 | -20.6 | 172.2 | -76.7 | -178.7 | -29.7 | 0 | 0 | 114.3 | R1416 T1423 | R1416-Q1420 VanDerWaalsContact O-CB 3.3Å; R1416-Q1420 WeakPolarHBondContact O-CB 3.18Å; R1416-Q1420 VanDerWaalsContact O-CG 3.26Å; R1416-Q1420 WeakPolarHBondContact O-CG 3.26Å; R1416-Q1420 PolarHBondContact O-N 3.05Å; Q1420-T1423 WeakPolarHBondContact CA-OG1 3.46Å; Q1420-T1423 PolarHBondContact O-OG1 3.25Å; Q1420-T1423 VanDerWaalsContact O-OG1 3.06Å |
| 1421 | K | 50.2 | Low | 55.6 | Low | 170 Ų | 170 | 121.1 Ų | 121.1 | 74% | 0.739 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -86.6 | -23.6 | 170.4 | -84.9 | -172.9 | 171.5 | -171.9 | 0 | 113.5 | K1417 L1418 Q1419 N1424 | K1417-K1421 WeakPolarHBondContact O-CB 3.41Å; K1417-K1421 WeakPolarHBondContact O-CG 3.36Å; K1417-K1421 PolarHBondContact O-N 3.03Å; K1417-K1421 VanDerWaalsContact O-N 3.15Å; L1418-K1421 CarbonylContact O-C 3.57Å; L1418-K1421 PolarHBondContact O-N 2.93Å; L1418-K1421 VanDerWaalsContact O-N 3.13Å; Q1419-K1421 VanDerWaalsContact C-N 3.27Å; Q1419-K1421 PolarHBondContact O-N 3.02Å; Q1419-K1421 VanDerWaalsContact O-N 3.14Å; K1421-N1424 PolarHBondContact O-N 2.85Å |
| 1422 | R | 48.1 | Very low | 55.4 | Low | 183.6 Ų | 183.6 | 117.8 Ų | 117.8 | 69% | 0.693 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.3 | -31.5 | 174.9 | -78.2 | 178.3 | 170.4 | -174.4 | -0.3 | 112.5 | L1418 Q1419 N1424 V1425 E1430 | L1418-R1422 WeakPolarHBondContact O-CB 3.47Å; L1418-R1422 WeakPolarHBondContact O-CG 3.3Å; L1418-R1422 PolarHBondContact O-N 3.02Å; Q1419-R1422 PolarHBondContact O-N 3.03Å; R1422-N1424 VanDerWaalsContact C-N 3.3Å; R1422-N1424 PolarHBondContact O-N 3Å; R1422-N1424 VanDerWaalsContact O-N 3.14Å; R1422-V1425 PolarHBondContact O-N 2.93Å; R1422-V1425 VanDerWaalsContact O-N 3.13Å; R1422-V1425 VanDerWaalsContact O-O 3.12Å; R1422-E1430 WeakPolarHBondContact CD-OE1 3.24Å; R1422-E1430 IonicContact CZ-OE1 3.37Å; R1422-E1430 IonicContact NE-OE1 3.21Å; R1422-E1430 IonicContact NH1-OE1 2.6Å; R1422-E1430 PolarHBondContact NH1-OE1 2.68Å |
| 1423 | T | 45.7 | Very low | 55.6 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -1.3 | 177.5 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | Q1419 Q1420 | Q1419-T1423 WeakPolarHBondContact O-CG2 3.19Å; Q1419-T1423 PolarHBondContact O-N 2.99Å; Q1419-T1423 VanDerWaalsContact O-N 3.11Å; Q1419-T1423 PolarHBondContact O-OG1 3.39Å; Q1419-T1423 VanDerWaalsContact O-OG1 3.1Å; Q1420-T1423 WeakPolarHBondContact CA-OG1 3.46Å; Q1420-T1423 PolarHBondContact O-OG1 3.25Å; Q1420-T1423 VanDerWaalsContact O-OG1 3.06Å |
| 1424 | N | 41.3 | Very low | 55.7 | Low | 145.2 Ų | 145.2 | 111.9 Ų | 111.9 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 16.3 | 178.3 | -91.5 | 15.8 | 0 | 0 | 0 | 113.9 | K1421 R1422 | K1421-N1424 PolarHBondContact O-N 2.85Å; R1422-N1424 VanDerWaalsContact C-N 3.3Å; R1422-N1424 PolarHBondContact O-N 3Å; R1422-N1424 VanDerWaalsContact O-N 3.14Å |
| 1425 | V | 37.6 | Very low | 55.8 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 74% | 0.739 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -135 | 110.8 | 175.2 | -175 | 0 | 0 | 0 | 0 | 109.8 | R1422 H1427 | R1422-V1425 PolarHBondContact O-N 2.93Å; R1422-V1425 VanDerWaalsContact O-N 3.13Å; R1422-V1425 VanDerWaalsContact O-O 3.12Å; V1425-H1427 PolarHBondContact O-N 2.77Å |
| 1426 | G | 36.2 | Very low | 56 | Low | 71.6 Ų | 71.6 | 108.7 Ų | 108.7 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | trans | 34.8 | 105.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1428 | G1426-A1428 PolarHBondContact O-N 3.21Š| ||
| 1427 | H | 37.9 | Very low | 56.4 | Low | 171 Ų | 171 | 101.2 Ų | 101.2 | 79% | 0.792 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 95.8 | 166.8 | -69.6 | -24.1 | 0 | 0 | 0 | 114.3 | V1425 | V1425-H1427 PolarHBondContact O-N 2.77Š|
| 1428 | A | 41.3 | Very low | 56.8 | Low | 80.8 Ų | 80.8 | 95.5 Ų | 95.5 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | -26.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1426 E1430 | G1426-A1428 PolarHBondContact O-N 3.21Å; A1428-E1430 PolarHBondContact O-N 3.41Å |
| 1429 | N | 45.1 | Very low | 57.5 | Low | 155.4 Ų | 155.4 | 90.8 Ų | 90.8 | 83% | 0.831 | 49% | 0.487 | S | S | * | . | trans | -134.3 | 39.2 | -173.6 | -75.1 | -16.4 | 0 | 0 | 0 | 115.9 | T1431 | N1429-T1431 PolarHBondContact O-N 2.98Š| ||
| 1430 | E | 53.5 | Low | 58.4 | Low | 132.8 Ų | 132.8 | 86.3 Ų | 86.3 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 119.7 | 163.4 | -71.3 | -164.9 | 142.3 | 0 | 0 | 110.4 | R1301 R1422 A1428 | R1301-E1430 PolarHBondContact NH2-O 3.43Å; R1422-E1430 WeakPolarHBondContact CD-OE1 3.24Å; R1422-E1430 IonicContact CZ-OE1 3.37Å; R1422-E1430 IonicContact NE-OE1 3.21Å; R1422-E1430 IonicContact NH1-OE1 2.6Å; R1422-E1430 PolarHBondContact NH1-OE1 2.68Å; A1428-E1430 PolarHBondContact O-N 3.41Å |
| 1431 | T | 64.3 | Low | 59.5 | Low | 112.2 Ų | 112.2 | 80 Ų | 80 | 69% | 0.688 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 136.3 | 174.5 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | D1297 N1429 N1433 | D1297-T1431 WeakPolarHBondContact OD1-CA 3.39Å; N1429-T1431 PolarHBondContact O-N 2.98Å; T1431-N1433 PolarHBondContact O-N 3.04Å |
| 1432 | V | 69.3 | Low | 61 | Low | 18.6 Ų | 18.6 | 72.2 Ų | 72.2 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 130.1 | -176.5 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | D1297 A1300 R1301 V1304 P1434 I1437 | D1297-V1432 HydrophobicContact CB-CG2 4.36Å; D1297-V1432 PolarHBondContact OD1-N 3.21Å; A1300-V1432 HydrophobicContact CB-CB 4.05Å; A1300-V1432 HydrophobicContact CB-CG1 3.99Å; A1300-V1432 HydrophobicContact CB-CG2 4.01Å; R1301-V1432 HydrophobicContact CB-CG2 4.42Å; R1301-V1432 HydrophobicContact CG-CG2 3.43Å; R1301-V1432 VanDerWaalsContact CG-CG2 3.44Å; V1304-V1432 HydrophobicContact CG2-CG1 3.51Å; V1304-V1432 VanDerWaalsContact CG2-CG1 3.49Å; V1432-P1434 VanDerWaalsContact O-CD 3.28Å; V1432-P1434 WeakPolarHBondContact O-CD 3.36Å; V1432-I1437 HydrophobicContact CG1-CD1 4.25Å; V1432-I1437 HydrophobicContact CG1-CG1 4.27Å |
| 1433 | N | 74.7 | Confident | 62.7 | Low | 77.8 Ų | 77.8 | 63.6 Ų | 63.6 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 116.8 | 172.6 | -175.8 | -11.2 | 0 | 0 | 0 | 109.9 | T1431 M1435 D1436 | T1431-N1433 PolarHBondContact O-N 3.04Å; N1433-M1435 PolarHBondContact O-N 3.02Å; N1433-M1435 WeakPolarHBondContact OD1-CB 3.36Å; N1433-M1435 PolarHBondContact OD1-N 3.28Å; N1433-M1435 VanDerWaalsContact OD1-N 3.1Å; N1433-D1436 HydrophobicContact CB-CB 4.38Å; N1433-D1436 PolarHBondContact ND2-OD2 2.86Å; N1433-D1436 PolarHBondContact O-N 3.17Å |
| 1434 | P | 74.6 | Confident | 64.1 | Low | 27.2 Ų | 27.2 | 59.9 Ų | 59.9 | 18% | 0.177 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -58.5 | -21.7 | -179.2 | -6.8 | 8.9 | 0 | 0 | 0 | 114.1 | R1284 S1288 L1295 V1432 D1436 I1437 Y1442 | R1284-P1434 PolarHBondContact NH1-O 2.97Å; S1288-P1434 VanDerWaalsContact OG-CB 3.24Å; S1288-P1434 WeakPolarHBondContact OG-CB 3.17Å; L1295-P1434 HydrophobicContact CD1-CB 3.94Å; L1295-P1434 HydrophobicContact CD1-CG 3.8Å; V1432-P1434 VanDerWaalsContact O-CD 3.28Å; V1432-P1434 WeakPolarHBondContact O-CD 3.36Å; P1434-D1436 VanDerWaalsContact C-N 3.28Å; P1434-D1436 PolarHBondContact O-N 3.07Å; P1434-I1437 PolarHBondContact O-N 3.19Å; P1434-Y1442 HydrophobicContact CB-CE2 3.99Å |
| 1435 | M | 75.9 | Confident | 65.7 | Low | 50.2 Ų | 50.2 | 54.6 Ų | 54.6 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -73.9 | -17 | 178.8 | -66.9 | -61.5 | -75.8 | 0 | 0 | 114.1 | R1284 E1285 N1433 I1437 | R1284-M1435 HydrophobicContact CG-SD 4.18Å; R1284-M1435 PolarHBondContact NE-SD 3.16Å; R1284-M1435 VanDerWaalsContact NE-SD 3.38Å; R1284-M1435 PolarHBondContact NH1-O 2.89Å; R1284-M1435 VanDerWaalsContact NH1-O 3.12Å; R1284-M1435 VanDerWaalsContact NH2-CE 3.35Å; R1284-M1435 PolarHBondContact NH2-O 2.95Å; R1284-M1435 VanDerWaalsContact NH2-O 3.09Å; R1284-M1435 PolarHBondContact NH2-SD 3.03Å; R1284-M1435 VanDerWaalsContact NH2-SD 3.41Å; E1285-M1435 HydrophobicContact CB-SD 4.46Å; E1285-M1435 HydrophobicContact CG-CE 3.37Å; E1285-M1435 HydrophobicContact CG-SD 3.55Å; E1285-M1435 VanDerWaalsContact CG-SD 3.52Å; E1285-M1435 WeakPolarHBondContact CG-SD 3.39Å; E1285-M1435 WeakPolarHBondContact OE1-CE 3.36Å; N1433-M1435 PolarHBondContact O-N 3.02Å; N1433-M1435 WeakPolarHBondContact OD1-CB 3.36Å; N1433-M1435 PolarHBondContact OD1-N 3.28Å; N1433-M1435 VanDerWaalsContact OD1-N 3.1Å; M1435-I1437 VanDerWaalsContact C-N 3.35Å |
| 1436 | D | 73.6 | Confident | 67.8 | Low | 30.6 Ų | 30.6 | 49.6 Ų | 49.6 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -94.6 | -4.2 | -177.5 | -62.7 | -23.1 | 0 | 0 | 0 | 113.2 | V1304 V1305 K1307 N1433 P1434 | V1304-D1436 HydrophobicContact CG1-CB 4.11Å; V1305-D1436 PolarHBondContact N-O 3.13Å; V1305-D1436 VanDerWaalsContact N-O 3.08Å; K1307-D1436 VanDerWaalsContact CE-CG 3.49Å; K1307-D1436 WeakPolarHBondContact CE-OD1 3.44Å; K1307-D1436 WeakPolarHBondContact CE-OD2 3.24Å; K1307-D1436 IonicContact NZ-OD1 3.15Å; K1307-D1436 PolarHBondContact NZ-OD1 3.32Å; K1307-D1436 IonicContact NZ-OD2 3.12Å; K1307-D1436 PolarHBondContact NZ-OD2 3Å; N1433-D1436 HydrophobicContact CB-CB 4.38Å; N1433-D1436 PolarHBondContact ND2-OD2 2.86Å; N1433-D1436 PolarHBondContact O-N 3.17Å; P1434-D1436 VanDerWaalsContact C-N 3.28Å; P1434-D1436 PolarHBondContact O-N 3.07Å |
| 1437 | I | 76 | Confident | 69.8 | Low | 3.6 Ų | 3.6 | 46.4 Ų | 46.4 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -84.5 | 136.2 | 170.1 | -55 | 173.6 | 0 | 0 | 0 | 108.7 | L924 R1284 L1295 A1300 F1303 V1432 P1434 M1435 V1441 Y1442 | L924-I1437 HydrophobicContact CD1-CD1 4.37Å; L924-I1437 HydrophobicContact CD1-CG2 4.4Å; L924-I1437 HydrophobicContact CD2-CD1 4.4Å; L924-I1437 HydrophobicContact CD2-CG2 4.26Å; R1284-I1437 PolarHBondContact NH1-O 3.12Å; L1295-I1437 HydrophobicContact CD1-CD1 3.87Å; L1295-I1437 HydrophobicContact CD2-CD1 4.43Å; A1300-I1437 HydrophobicContact CB-CD1 4Å; F1303-I1437 HydrophobicContact CB-CG2 4.33Å; V1432-I1437 HydrophobicContact CG1-CD1 4.25Å; V1432-I1437 HydrophobicContact CG1-CG1 4.27Å; P1434-I1437 PolarHBondContact O-N 3.19Å; M1435-I1437 VanDerWaalsContact C-N 3.35Å; I1437-V1441 HydrophobicContact CG2-CB 4Å; I1437-V1441 HydrophobicContact CG2-CG1 3.98Å; I1437-Y1442 HydrophobicContact CD1-CD2 4.39Å |
| 1438 | P | 77.4 | Confident | 71.4 | Confident | 8.8 Ų | 8.8 | 41.1 Ų | 41.1 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | trans | -54.9 | 145 | 173.4 | -28.2 | 35.8 | 0 | 0 | 0 | 113.2 | L1090 F1303 V1305 E1440 V1441 Y1442 R1634 | L1090-P1438 HydrophobicContact CD1-CG 4.44Å; L1090-P1438 HydrophobicContact CD2-CG 4.13Å; F1303-P1438 VanDerWaalsContact O-CD 3.28Å; F1303-P1438 WeakPolarHBondContact O-CD 3.4Å; V1305-P1438 HydrophobicContact CG2-CG 3.93Å; P1438-E1440 VanDerWaalsContact C-N 3.28Å; P1438-E1440 HydrophobicContact CB-CG 3.72Å; P1438-E1440 PolarHBondContact O-N 3.24Å; P1438-V1441 HydrophobicContact CB-CB 4.41Å; P1438-V1441 HydrophobicContact CB-CG2 4.14Å; P1438-V1441 HydrophobicContact CG-CG2 4.34Å; P1438-V1441 PolarHBondContact O-N 3.11Å; P1438-V1441 VanDerWaalsContact O-N 3.12Å; P1438-Y1442 WeakPolarHBondContact O-CB 3.48Å; P1438-Y1442 PolarHBondContact O-N 3.28Å; P1438-R1634 WeakPolarHBondContact CB-O 3.21Å | ||
| 1439 | L | 78.2 | Confident | 72.9 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -36 | -179.9 | -151.4 | 89.1 | 0 | 0 | 0 | 111.8 | V1277 L1280 R1284 V1441 Y1442 F1443 F1631 C1635 L1638 | V1277-L1439 HydrophobicContact CG1-CD2 3.96Å; L1280-L1439 HydrophobicContact CB-CD1 4.43Å; L1280-L1439 HydrophobicContact CB-CD2 4.12Å; R1284-L1439 HydrophobicContact CB-CD1 4.42Å; L1439-V1441 VanDerWaalsContact C-N 3.3Å; L1439-V1441 PolarHBondContact O-N 3.12Å; L1439-Y1442 PolarHBondContact O-N 3.04Å; L1439-F1443 HydrophobicContact CD1-CD2 3.76Å; L1439-F1443 HydrophobicContact CD1-CE2 4.09Å; L1439-F1443 HydrophobicContact CD2-CD2 4.23Å; L1439-F1443 HydrophobicContact CD2-CE2 3.92Å; L1439-F1443 HydrophobicContact CG-CD2 4.29Å; L1439-F1443 PolarHBondContact O-N 3.1Å; L1439-F1631 HydrophobicContact CB-CE2 4.18Å; L1439-F1631 HydrophobicContact CB-CZ 3.91Å; L1439-F1631 HydrophobicContact CD2-CE2 4.14Å; L1439-F1631 HydrophobicContact CD2-CZ 3.68Å; L1439-F1631 HydrophobicContact CG-CZ 4.36Å; L1439-C1635 PolarHBondContact N-SG 3.45Å; L1439-C1635 VanDerWaalsContact N-SG 3.44Å; L1439-L1638 HydrophobicContact CB-CD1 4.32Å |
| 1440 | E | 74 | Confident | 74.2 | Confident | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -34.5 | 174 | 33.8 | 173.6 | -141.2 | 0 | 0 | 113.7 | Y1086 P1438 S1444 L1453 C1635 V1636 F1637 L1638 | Y1086-E1440 HydrophobicContact CE1-CG 4.11Å; Y1086-E1440 WeakPolarHBondContact CE1-OE1 3.45Å; Y1086-E1440 WeakPolarHBondContact OH-CG 3.09Å; Y1086-E1440 PolarHBondContact OH-OE1 3.44Å; P1438-E1440 VanDerWaalsContact C-N 3.28Å; P1438-E1440 HydrophobicContact CB-CG 3.72Å; P1438-E1440 PolarHBondContact O-N 3.24Å; E1440-S1444 VanDerWaalsContact O-CA 3.3Å; E1440-S1444 WeakPolarHBondContact O-CA 3.41Å; E1440-S1444 VanDerWaalsContact O-CB 3.27Å; E1440-S1444 WeakPolarHBondContact O-CB 3.36Å; E1440-S1444 PolarHBondContact O-N 3.2Å; E1440-L1453 HydrophobicContact CB-CD1 3.58Å; E1440-L1453 VanDerWaalsContact CB-CD1 3.45Å; E1440-L1453 HydrophobicContact CB-CD2 4.03Å; E1440-L1453 WeakPolarHBondContact O-CD2 3.36Å; E1440-C1635 VanDerWaalsContact CD-CA 3.45Å; E1440-C1635 HydrophobicContact CG-CB 4.15Å; E1440-C1635 WeakPolarHBondContact OE1-CA 3.4Å; E1440-C1635 WeakPolarHBondContact OE2-CA 3.33Å; E1440-C1635 WeakPolarHBondContact OE2-CB 3.42Å; E1440-V1636 VanDerWaalsContact CD-N 3.3Å; E1440-V1636 PolarHBondContact OE1-N 3.15Å; E1440-V1636 PolarHBondContact OE2-N 3.11Å; E1440-V1636 VanDerWaalsContact OE2-N 3.1Å; E1440-F1637 WeakPolarHBondContact OE2-CA 3.41Å; E1440-F1637 WeakPolarHBondContact OE2-CB 3.47Å; E1440-F1637 PolarHBondContact OE2-N 2.73Å; E1440-L1638 HydrophobicContact CB-CD1 3.98Å; E1440-L1638 HydrophobicContact CB-CD2 4.2Å; E1440-L1638 HydrophobicContact CB-CG 4.28Å; E1440-L1638 PolarHBondContact OE2-N 2.73Å |
| 1441 | V | 75.3 | Confident | 74.9 | Confident | 7.8 Ų | 7.8 | 33.4 Ų | 33.4 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -81.4 | -42.7 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | L923 L924 Y1086 F1303 I1437 P1438 L1439 F1443 S1444 | L923-V1441 HydrophobicContact CB-CG1 4.22Å; L924-V1441 HydrophobicContact CD1-CG1 4.38Å; L924-V1441 HydrophobicContact CD2-CG1 3.78Å; L924-V1441 HydrophobicContact CG-CG1 3.9Å; Y1086-V1441 HydrophobicContact CD1-CG2 3.76Å; Y1086-V1441 HydrophobicContact CE1-CG2 4.03Å; Y1086-V1441 HydrophobicContact CG-CG2 4.29Å; F1303-V1441 HydrophobicContact CB-CG1 4.24Å; F1303-V1441 HydrophobicContact CD1-CG1 4.11Å; F1303-V1441 HydrophobicContact CD1-CG2 4.14Å; F1303-V1441 HydrophobicContact CD2-CG1 4.19Å; F1303-V1441 HydrophobicContact CE1-CG1 4.44Å; F1303-V1441 HydrophobicContact CE1-CG2 4.46Å; F1303-V1441 HydrophobicContact CE2-CG1 4.36Å; F1303-V1441 HydrophobicContact CG-CG1 3.92Å; F1303-V1441 HydrophobicContact CG-CG2 4.5Å; I1437-V1441 HydrophobicContact CG2-CB 4Å; I1437-V1441 HydrophobicContact CG2-CG1 3.98Å; P1438-V1441 HydrophobicContact CB-CB 4.41Å; P1438-V1441 HydrophobicContact CB-CG2 4.14Å; P1438-V1441 HydrophobicContact CG-CG2 4.34Å; P1438-V1441 PolarHBondContact O-N 3.11Å; P1438-V1441 VanDerWaalsContact O-N 3.12Å; L1439-V1441 VanDerWaalsContact C-N 3.3Å; L1439-V1441 PolarHBondContact O-N 3.12Å; V1441-F1443 VanDerWaalsContact C-N 3.32Å; V1441-F1443 PolarHBondContact O-N 3.14Å; V1441-S1444 WeakPolarHBondContact O-CB 3.42Å; V1441-S1444 PolarHBondContact O-N 3.09Å; V1441-S1444 PolarHBondContact O-OG 3.23Å; V1441-S1444 VanDerWaalsContact O-OG 3.04Å |
| 1442 | Y | 81.5 | Confident | 75.2 | Confident | 8 Ų | 8 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | -177.2 | -167.9 | -89.9 | 0 | 0 | 0 | 112.9 | L924 S1230 R1284 S1288 V1293 L1295 P1434 I1437 P1438 L1439 | L924-Y1442 HydrophobicContact CD1-CD2 4.15Å; S1230-Y1442 VanDerWaalsContact CB-CE1 3.48Å; S1230-Y1442 VanDerWaalsContact CB-O 3.32Å; S1230-Y1442 WeakPolarHBondContact CB-O 3.32Å; S1230-Y1442 PolarHBondContact OG-O 3.03Å; R1284-Y1442 HydrophobicContact CB-CD1 4.39Å; R1284-Y1442 HydrophobicContact CB-CE1 4.27Å; R1284-Y1442 HydrophobicContact CG-CD1 3.83Å; R1284-Y1442 HydrophobicContact CG-CD2 4.44Å; R1284-Y1442 HydrophobicContact CG-CE1 3.72Å; R1284-Y1442 HydrophobicContact CG-CE2 4.35Å; R1284-Y1442 HydrophobicContact CG-CG 4.19Å; S1288-Y1442 PolarHBondContact OG-OH 2.88Å; V1293-Y1442 WeakPolarHBondContact CG2-OH 3.36Å; L1295-Y1442 HydrophobicContact CD1-CE2 4.39Å; L1295-Y1442 HydrophobicContact CD2-CE2 4.29Å; P1434-Y1442 HydrophobicContact CB-CE2 3.99Å; I1437-Y1442 HydrophobicContact CD1-CD2 4.39Å; P1438-Y1442 WeakPolarHBondContact O-CB 3.48Å; P1438-Y1442 PolarHBondContact O-N 3.28Å; L1439-Y1442 PolarHBondContact O-N 3.04Å |
| 1443 | F | 82.8 | Confident | 75.1 | Confident | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 26.7 | 177.9 | -72.6 | -64.9 | 0 | 0 | 0 | 113.2 | S1230 L1234 L1280 W1283 R1284 L1287 L1439 V1441 V1445 F1446 L1447 | S1230-F1443 WeakPolarHBondContact OG-CD1 3.44Å; L1234-F1443 HydrophobicContact CB-CE1 4.23Å; L1234-F1443 HydrophobicContact CD2-CD1 4.4Å; L1234-F1443 HydrophobicContact CD2-CE1 4.03Å; L1234-F1443 HydrophobicContact CD2-CZ 4.32Å; L1280-F1443 HydrophobicContact CB-CD2 4.09Å; L1280-F1443 HydrophobicContact CB-CE2 4.15Å; L1280-F1443 HydrophobicContact CD2-CD1 4.36Å; L1280-F1443 HydrophobicContact CD2-CD2 3.91Å; L1280-F1443 HydrophobicContact CD2-CE1 4.4Å; L1280-F1443 HydrophobicContact CD2-CE2 3.95Å; L1280-F1443 HydrophobicContact CD2-CG 4.12Å; L1280-F1443 HydrophobicContact CD2-CZ 4.2Å; L1280-F1443 HydrophobicContact CG-CD2 4.41Å; L1280-F1443 VanDerWaalsContact O-CE2 3.23Å; L1280-F1443 WeakPolarHBondContact O-CE2 3.35Å; W1283-F1443 HydrophobicContact CB-CZ 4.28Å; R1284-F1443 HydrophobicContact CB-CE2 4.03Å; R1284-F1443 HydrophobicContact CB-CZ 4.35Å; L1287-F1443 HydrophobicContact CD1-CE1 4.1Å; L1287-F1443 HydrophobicContact CD1-CZ 3.94Å; L1439-F1443 HydrophobicContact CD1-CD2 3.76Å; L1439-F1443 HydrophobicContact CD1-CE2 4.09Å; L1439-F1443 HydrophobicContact CD2-CD2 4.23Å; L1439-F1443 HydrophobicContact CD2-CE2 3.92Å; L1439-F1443 HydrophobicContact CG-CD2 4.29Å; L1439-F1443 PolarHBondContact O-N 3.1Å; V1441-F1443 VanDerWaalsContact C-N 3.32Å; V1441-F1443 PolarHBondContact O-N 3.14Å; F1443-V1445 PolarHBondContact O-N 3.12Å; F1443-F1446 HydrophobicContact CB-CB 4.39Å; F1443-F1446 HydrophobicContact CB-CD1 4.44Å; F1443-F1446 HydrophobicContact CD1-CB 4.5Å; F1443-F1446 HydrophobicContact CD1-CD1 4.45Å; F1443-F1446 CarbonylContact O-C 3.51Å; F1443-F1446 WeakPolarHBondContact O-CA 3.41Å; F1443-F1446 WeakPolarHBondContact O-CB 3.29Å; F1443-F1446 PolarHBondContact O-N 3.12Å; F1443-F1446 VanDerWaalsContact O-N 3.13Å; F1443-L1447 HydrophobicContact CB-CD1 3.97Å; F1443-L1447 HydrophobicContact CB-CG 4.1Å; F1443-L1447 WeakPolarHBondContact O-CB 3.49Å; F1443-L1447 WeakPolarHBondContact O-CG 3.47Å; F1443-L1447 PolarHBondContact O-N 3.25Å |
| 1444 | S | 75.9 | Confident | 74.3 | Confident | 10.6 Ų | 10.6 | 29.8 Ų | 29.8 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -46 | -55.4 | -172.5 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | E1440 V1441 F1446 L1447 E1448 | E1440-S1444 VanDerWaalsContact O-CA 3.3Å; E1440-S1444 WeakPolarHBondContact O-CA 3.41Å; E1440-S1444 VanDerWaalsContact O-CB 3.27Å; E1440-S1444 WeakPolarHBondContact O-CB 3.36Å; E1440-S1444 PolarHBondContact O-N 3.2Å; V1441-S1444 WeakPolarHBondContact O-CB 3.42Å; V1441-S1444 PolarHBondContact O-N 3.09Å; V1441-S1444 PolarHBondContact O-OG 3.23Å; V1441-S1444 VanDerWaalsContact O-OG 3.04Å; S1444-F1446 VanDerWaalsContact C-N 3.28Å; S1444-F1446 PolarHBondContact O-N 3.03Å; S1444-L1447 CarbonylContact O-C 3.6Å; S1444-L1447 PolarHBondContact O-N 3.07Å; S1444-L1447 VanDerWaalsContact O-N 3.09Å; S1444-E1448 WeakPolarHBondContact O-CB 3.31Å; S1444-E1448 VanDerWaalsContact O-CG 3.29Å; S1444-E1448 WeakPolarHBondContact O-CG 3.28Å; S1444-E1448 PolarHBondContact O-N 3.06Å |
| 1445 | V | 75.6 | Confident | 73.6 | Confident | 34.6 Ų | 34.6 | 29.2 Ų | 29.2 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | C915 Q922 F1443 L1447 E1448 E1449 | C915-V1445 HydrophobicContact CB-CG1 4.31Å; Q922-V1445 HydrophobicContact CB-CG2 3.96Å; F1443-V1445 PolarHBondContact O-N 3.12Å; V1445-L1447 VanDerWaalsContact C-N 3.32Å; V1445-L1447 PolarHBondContact O-N 3.29Å; V1445-E1448 PolarHBondContact O-N 3.49Å; V1445-E1449 HydrophobicContact CG1-CG 4.32Å; V1445-E1449 VanDerWaalsContact O-CB 3.32Å; V1445-E1449 WeakPolarHBondContact O-CB 3.3Å; V1445-E1449 WeakPolarHBondContact O-CG 3.39Å; V1445-E1449 PolarHBondContact O-N 3.2Å; V1445-E1449 VanDerWaalsContact O-N 3.1Å |
| 1446 | F | 80.5 | Confident | 72.5 | Confident | 17.6 Ų | 17.6 | 27.4 Ų | 27.4 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 178.3 | -177 | -87.4 | 0 | 0 | 0 | 111.9 | Q911 L1195 M1199 S1231 L1234 I1276 L1280 F1443 S1444 R1450 L1452 | Q911-F1446 HydrophobicContact CG-CD2 4.14Å; Q911-F1446 HydrophobicContact CG-CE2 4.29Å; L1195-F1446 HydrophobicContact CD1-CE2 4.45Å; L1195-F1446 HydrophobicContact CD1-CZ 4.04Å; L1195-F1446 HydrophobicContact CD2-CE1 4.28Å; L1195-F1446 HydrophobicContact CD2-CZ 3.75Å; L1195-F1446 HydrophobicContact CG-CZ 4.43Å; M1199-F1446 HydrophobicContact SD-CZ 4.39Å; S1231-F1446 WeakPolarHBondContact OG-CB 3.32Å; S1231-F1446 PolarHBondContact OG-N 2.97Å; S1231-F1446 VanDerWaalsContact OG-N 3.1Å; L1234-F1446 HydrophobicContact CD2-CD2 4.31Å; L1234-F1446 HydrophobicContact CD2-CE2 4.15Å; L1234-F1446 HydrophobicContact CD2-CG 4.44Å; L1234-F1446 HydrophobicContact CD2-CZ 4.33Å; I1276-F1446 HydrophobicContact CG2-CE1 4.3Å; L1280-F1446 HydrophobicContact CD1-CD1 3.88Å; L1280-F1446 HydrophobicContact CD1-CE1 3.9Å; L1280-F1446 HydrophobicContact CD2-CD1 4.05Å; L1280-F1446 HydrophobicContact CD2-CE1 3.91Å; L1280-F1446 HydrophobicContact CD2-CZ 4.41Å; L1280-F1446 HydrophobicContact CG-CD1 4.4Å; L1280-F1446 HydrophobicContact CG-CE1 4.32Å; F1443-F1446 HydrophobicContact CB-CB 4.39Å; F1443-F1446 HydrophobicContact CB-CD1 4.44Å; F1443-F1446 HydrophobicContact CD1-CB 4.5Å; F1443-F1446 HydrophobicContact CD1-CD1 4.45Å; F1443-F1446 CarbonylContact O-C 3.51Å; F1443-F1446 WeakPolarHBondContact O-CA 3.41Å; F1443-F1446 WeakPolarHBondContact O-CB 3.29Å; F1443-F1446 PolarHBondContact O-N 3.12Å; F1443-F1446 VanDerWaalsContact O-N 3.13Å; S1444-F1446 VanDerWaalsContact C-N 3.28Å; S1444-F1446 PolarHBondContact O-N 3.03Å; F1446-R1450 HydrophobicContact CD1-CG 4.19Å; F1446-R1450 HydrophobicContact CD2-CG 4.2Å; F1446-R1450 HydrophobicContact CE1-CG 4.08Å; F1446-R1450 HydrophobicContact CE2-CG 4.04Å; F1446-R1450 HydrophobicContact CZ-CG 4.31Å; F1446-R1450 VanDerWaalsContact O-CB 3.23Å; F1446-R1450 WeakPolarHBondContact O-CB 3.42Å; F1446-R1450 WeakPolarHBondContact O-CG 3.41Å; F1446-R1450 PolarHBondContact O-N 2.95Å; F1446-R1450 VanDerWaalsContact O-N 3.14Å; F1446-L1452 HydrophobicContact CE1-CD1 4.02Å; F1446-L1452 HydrophobicContact CZ-CD1 4.24Å |
| 1447 | L | 78.3 | Confident | 71.6 | Confident | 2.8 Ų | 2.8 | 28 Ų | 28 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.5 | -33.9 | -179.1 | -68.1 | 166.5 | 0 | 0 | 0 | 112.2 | V1277 L1280 F1443 S1444 V1445 R1450 G1451 L1452 L1453 L1638 | V1277-L1447 HydrophobicContact CG2-CD2 4.49Å; L1280-L1447 HydrophobicContact CD1-CD2 3.55Å; L1280-L1447 HydrophobicContact CD1-CG 4.22Å; F1443-L1447 HydrophobicContact CB-CD1 3.97Å; F1443-L1447 HydrophobicContact CB-CG 4.1Å; F1443-L1447 WeakPolarHBondContact O-CB 3.49Å; F1443-L1447 WeakPolarHBondContact O-CG 3.47Å; F1443-L1447 PolarHBondContact O-N 3.25Å; S1444-L1447 CarbonylContact O-C 3.6Å; S1444-L1447 PolarHBondContact O-N 3.07Å; S1444-L1447 VanDerWaalsContact O-N 3.09Å; V1445-L1447 VanDerWaalsContact C-N 3.32Å; V1445-L1447 PolarHBondContact O-N 3.29Å; L1447-R1450 PolarHBondContact O-N 3.23Å; L1447-G1451 CarbonylContact O-C 3.54Å; L1447-G1451 PolarHBondContact O-N 3.37Å; L1447-L1452 HydrophobicContact CB-CB 4.33Å; L1447-L1452 HydrophobicContact CD2-CB 3.81Å; L1447-L1452 HydrophobicContact CD2-CD1 3.91Å; L1447-L1452 PolarHBondContact O-N 3.11Å; L1447-L1453 HydrophobicContact CB-CB 3.88Å; L1447-L1453 HydrophobicContact CB-CD1 3.66Å; L1447-L1453 HydrophobicContact CB-CD2 4.49Å; L1447-L1453 HydrophobicContact CB-CG 3.74Å; L1447-L1453 HydrophobicContact CD1-CD1 4.31Å; L1447-L1453 HydrophobicContact CD1-CG 4.23Å; L1447-L1453 PolarHBondContact O-N 3.01Å; L1447-L1453 VanDerWaalsContact O-N 3.09Å; L1447-L1638 HydrophobicContact CD1-CD1 4.46Å; L1447-L1638 HydrophobicContact CD1-CD2 3.96Å; L1447-L1638 HydrophobicContact CD1-CG 4.46Å; L1447-L1638 HydrophobicContact CD2-CD2 4.12Å |
| 1448 | E | 72.6 | Confident | 70.4 | Confident | 60.6 Ų | 60.6 | 28.8 Ų | 28.8 | 28% | 0.283 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.8 | -52.9 | 171.9 | -74.6 | 172.9 | -169.9 | 0 | 0 | 111.4 | R918 K1082 S1444 V1445 R1450 G1451 L1453 | R918-E1448 IonicContact CZ-OE2 3.43Å; R918-E1448 IonicContact NH1-OE2 3.75Å; R918-E1448 PolarHBondContact NH1-OE2 2.89Å; R918-E1448 IonicContact NH2-OE2 2.73Å; K1082-E1448 WeakPolarHBondContact CE-OE1 3.36Å; K1082-E1448 IonicContact NZ-OE1 3.13Å; K1082-E1448 PolarHBondContact NZ-OE1 3.2Å; K1082-E1448 IonicContact NZ-OE2 3.59Å; K1082-E1448 PolarHBondContact NZ-OE2 2.94Å; S1444-E1448 WeakPolarHBondContact O-CB 3.31Å; S1444-E1448 VanDerWaalsContact O-CG 3.29Å; S1444-E1448 WeakPolarHBondContact O-CG 3.28Å; S1444-E1448 PolarHBondContact O-N 3.06Å; V1445-E1448 PolarHBondContact O-N 3.49Å; E1448-R1450 PolarHBondContact O-N 3Å; E1448-R1450 VanDerWaalsContact O-N 3.09Å; E1448-G1451 PolarHBondContact O-N 3.28Å; E1448-G1451 VanDerWaalsContact O-N 3.09Å; E1448-L1453 HydrophobicContact CG-CB 4.26Å; E1448-L1453 HydrophobicContact CG-CD1 3.8Å; E1448-L1453 HydrophobicContact CG-CD2 4.02Å; E1448-L1453 HydrophobicContact CG-CG 4.38Å |
| 1449 | E | 72.9 | Confident | 69.1 | Low | 90.4 Ų | 90.4 | 32.9 Ų | 32.9 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.4 | -15.6 | 179.2 | -72.6 | -111.2 | 170.1 | 0 | 0 | 113.7 | Q911 K914 R918 V1445 | Q911-E1449 PolarHBondContact NE2-OE2 2.8Å; K914-E1449 VanDerWaalsContact CB-OE1 3.27Å; K914-E1449 WeakPolarHBondContact CB-OE1 3.3Å; K914-E1449 VanDerWaalsContact CD-OE2 3.24Å; K914-E1449 WeakPolarHBondContact CD-OE2 3.26Å; K914-E1449 VanDerWaalsContact CE-OE2 3.23Å; K914-E1449 WeakPolarHBondContact CE-OE2 3.37Å; K914-E1449 IonicContact NZ-OE2 3.31Å; K914-E1449 PolarHBondContact NZ-OE2 2.92Å; R918-E1449 IonicContact CZ-OE1 3.3Å; R918-E1449 VanDerWaalsContact CZ-OE1 3.29Å; R918-E1449 IonicContact NE-OE1 3.31Å; R918-E1449 PolarHBondContact NE-OE1 3.2Å; R918-E1449 VanDerWaalsContact NE-OE1 3.08Å; R918-E1449 IonicContact NH2-OE1 3Å; R918-E1449 PolarHBondContact NH2-OE1 3.26Å; V1445-E1449 HydrophobicContact CG1-CG 4.32Å; V1445-E1449 VanDerWaalsContact O-CB 3.32Å; V1445-E1449 WeakPolarHBondContact O-CB 3.3Å; V1445-E1449 WeakPolarHBondContact O-CG 3.39Å; V1445-E1449 PolarHBondContact O-N 3.2Å; V1445-E1449 VanDerWaalsContact O-N 3.1Å |
| 1450 | R | 72.3 | Confident | 67.8 | Low | 59 Ų | 59 | 37.5 Ų | 37.5 | 22% | 0.223 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -0.1 | 178.5 | -62.6 | -72.3 | 165.7 | -177.3 | -10.4 | 113.5 | E1191 F1446 L1447 E1448 L1452 | E1191-R1450 IonicContact OE1-CZ 3.11Å; E1191-R1450 IonicContact OE1-NH1 3.25Å; E1191-R1450 PolarHBondContact OE1-NH1 3.15Å; E1191-R1450 IonicContact OE1-NH2 2.86Å; E1191-R1450 PolarHBondContact OE1-NH2 3.31Å; E1191-R1450 IonicContact OE2-NH1 2.86Å; E1191-R1450 PolarHBondContact OE2-NH1 3.39Å; F1446-R1450 HydrophobicContact CD1-CG 4.19Å; F1446-R1450 HydrophobicContact CD2-CG 4.2Å; F1446-R1450 HydrophobicContact CE1-CG 4.08Å; F1446-R1450 HydrophobicContact CE2-CG 4.04Å; F1446-R1450 HydrophobicContact CZ-CG 4.31Å; F1446-R1450 VanDerWaalsContact O-CB 3.23Å; F1446-R1450 WeakPolarHBondContact O-CB 3.42Å; F1446-R1450 WeakPolarHBondContact O-CG 3.41Å; F1446-R1450 PolarHBondContact O-N 2.95Å; F1446-R1450 VanDerWaalsContact O-N 3.14Å; L1447-R1450 PolarHBondContact O-N 3.23Å; E1448-R1450 PolarHBondContact O-N 3Å; E1448-R1450 VanDerWaalsContact O-N 3.09Å; R1450-L1452 VanDerWaalsContact C-N 3.25Å; R1450-L1452 HydrophobicContact CB-CB 4.35Å; R1450-L1452 HydrophobicContact CB-CD1 3.96Å; R1450-L1452 HydrophobicContact CB-CG 3.98Å; R1450-L1452 HydrophobicContact CG-CD1 4.44Å; R1450-L1452 PolarHBondContact O-N 3.1Å |
| 1451 | G | 68.1 | Low | 66.4 | Low | 58 Ų | 58 | 41.2 Ų | 41.2 | 60% | 0.598 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 18.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1447 E1448 | L1447-G1451 CarbonylContact O-C 3.54Å; L1447-G1451 PolarHBondContact O-N 3.37Å; E1448-G1451 PolarHBondContact O-N 3.28Å; E1448-G1451 VanDerWaalsContact O-N 3.09Å |
| 1452 | L | 69.8 | Low | 65.2 | Low | 19.8 Ų | 19.8 | 42.6 Ų | 42.6 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | trans | -92.2 | -15.4 | -177.5 | -66.2 | 175.8 | 0 | 0 | 0 | 113.1 | N1273 I1276 V1277 F1446 L1447 R1450 Y1454 L1638 K1639 | N1273-L1452 HydrophobicContact CB-CD2 3.5Å; N1273-L1452 VanDerWaalsContact CB-CD2 3.47Å; N1273-L1452 WeakPolarHBondContact OD1-CD2 3.29Å; I1276-L1452 HydrophobicContact CB-CD1 4.23Å; I1276-L1452 HydrophobicContact CG2-CD1 3.66Å; V1277-L1452 HydrophobicContact CG2-CD1 4.39Å; F1446-L1452 HydrophobicContact CE1-CD1 4.02Å; F1446-L1452 HydrophobicContact CZ-CD1 4.24Å; L1447-L1452 HydrophobicContact CB-CB 4.33Å; L1447-L1452 HydrophobicContact CD2-CB 3.81Å; L1447-L1452 HydrophobicContact CD2-CD1 3.91Å; L1447-L1452 PolarHBondContact O-N 3.11Å; R1450-L1452 VanDerWaalsContact C-N 3.25Å; R1450-L1452 HydrophobicContact CB-CB 4.35Å; R1450-L1452 HydrophobicContact CB-CD1 3.96Å; R1450-L1452 HydrophobicContact CB-CG 3.98Å; R1450-L1452 HydrophobicContact CG-CD1 4.44Å; R1450-L1452 PolarHBondContact O-N 3.1Å; L1452-Y1454 PolarHBondContact O-N 3.4Å; L1452-L1638 WeakPolarHBondContact O-CA 3.44Å; L1452-K1639 PolarHBondContact O-N 3.09Å | ||
| 1453 | L | 66.2 | Low | 63.8 | Low | 19.4 Ų | 19.4 | 45 Ų | 45 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -101.6 | 102.7 | 174.1 | -151 | 104.5 | 0 | 0 | 0 | 110 | E1440 L1447 E1448 V1455 F1637 L1638 | E1440-L1453 HydrophobicContact CB-CD1 3.58Å; E1440-L1453 VanDerWaalsContact CB-CD1 3.45Å; E1440-L1453 HydrophobicContact CB-CD2 4.03Å; E1440-L1453 WeakPolarHBondContact O-CD2 3.36Å; L1447-L1453 HydrophobicContact CB-CB 3.88Å; L1447-L1453 HydrophobicContact CB-CD1 3.66Å; L1447-L1453 HydrophobicContact CB-CD2 4.49Å; L1447-L1453 HydrophobicContact CB-CG 3.74Å; L1447-L1453 HydrophobicContact CD1-CD1 4.31Å; L1447-L1453 HydrophobicContact CD1-CG 4.23Å; L1447-L1453 PolarHBondContact O-N 3.01Å; L1447-L1453 VanDerWaalsContact O-N 3.09Å; E1448-L1453 HydrophobicContact CG-CB 4.26Å; E1448-L1453 HydrophobicContact CG-CD1 3.8Å; E1448-L1453 HydrophobicContact CG-CD2 4.02Å; E1448-L1453 HydrophobicContact CG-CG 4.38Å; L1453-V1455 HydrophobicContact CD1-CG2 3.85Å; L1453-V1455 HydrophobicContact CD2-CG2 4.22Å; L1453-V1455 HydrophobicContact CG-CG2 4.14Å; L1453-V1455 PolarHBondContact O-N 3.1Å; L1453-F1637 CarbonylContact C-O 3.56Å; L1453-F1637 HydrophobicContact CD1-CB 3.8Å; L1453-F1637 HydrophobicContact CD2-CB 3.68Å; L1453-F1637 HydrophobicContact CG-CB 4.49Å; L1453-L1638 HydrophobicContact CD1-CD2 4.1Å; L1453-L1638 HydrophobicContact CD1-CG 4.5Å |
| 1454 | Y | 59.8 | Low | 62.3 | Low | 94.8 Ų | 94.8 | 45.7 Ų | 45.7 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | trans | -104.2 | 102.4 | 173.1 | -172.5 | -91.9 | 0 | 0 | 0 | 109.5 | L1452 P1456 E1459 F1637 | L1452-Y1454 PolarHBondContact O-N 3.4Å; Y1454-P1456 HydrophobicContact CD1-CG 4.22Å; Y1454-P1456 HydrophobicContact CE1-CB 4.23Å; Y1454-P1456 HydrophobicContact CE1-CG 4.04Å; Y1454-P1456 WeakPolarHBondContact O-CD 3.41Å; Y1454-E1459 HydrophobicContact CE2-CB 3.99Å; Y1454-E1459 HydrophobicContact CE2-CG 4.14Å; Y1454-E1459 WeakPolarHBondContact CE2-OE1 3.35Å; Y1454-E1459 VanDerWaalsContact CE2-OE2 3.27Å; Y1454-E1459 WeakPolarHBondContact CE2-OE2 3.31Å; Y1454-E1459 VanDerWaalsContact CZ-OE2 3.31Å; Y1454-E1459 PolarHBondContact OH-OE1 2.93Å; Y1454-E1459 PolarHBondContact OH-OE2 3.09Å; Y1454-F1637 CarbonylContact C-O 3.56Å; Y1454-F1637 WeakPolarHBondContact CA-O 3.14Å; Y1454-F1637 PolarHBondContact N-O 3Å; Y1454-F1637 VanDerWaalsContact N-O 3.17Å; Y1454-F1637 WeakPolarHBondContact O-CB 3.39Å; Y1454-F1637 WeakPolarHBondContact O-CD1 3.31Å | ||
| 1455 | V | 58.4 | Low | 61.1 | Low | 14.4 Ų | 14.4 | 49.8 Ų | 49.8 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | trans | -96.3 | 110.7 | 173.3 | -172.8 | 0 | 0 | 0 | 0 | 107.5 | Y1086 L1089 L1453 M1457 C1458 W1524 F1637 | Y1086-V1455 HydrophobicContact CD2-CG1 4.43Å; Y1086-V1455 HydrophobicContact CD2-CG2 4.13Å; Y1086-V1455 HydrophobicContact CE2-CG1 4.33Å; Y1086-V1455 HydrophobicContact CE2-CG2 3.78Å; Y1086-V1455 VanDerWaalsContact CE2-CG2 3.5Å; Y1086-V1455 WeakPolarHBondContact OH-CG2 3.32Å; L1089-V1455 HydrophobicContact CD1-CG1 3.99Å; L1453-V1455 HydrophobicContact CD1-CG2 3.85Å; L1453-V1455 HydrophobicContact CD2-CG2 4.22Å; L1453-V1455 HydrophobicContact CG-CG2 4.14Å; L1453-V1455 PolarHBondContact O-N 3.1Å; V1455-M1457 PolarHBondContact O-N 2.89Å; V1455-C1458 HydrophobicContact CB-CB 3.89Å; V1455-C1458 HydrophobicContact CG1-CB 3.88Å; V1455-C1458 VanDerWaalsContact CG1-SG 3.5Å; V1455-C1458 WeakPolarHBondContact CG1-SG 3.36Å; V1455-C1458 WeakPolarHBondContact O-CA 3.3Å; V1455-C1458 VanDerWaalsContact O-CB 3.22Å; V1455-C1458 WeakPolarHBondContact O-CB 3.27Å; V1455-C1458 PolarHBondContact O-N 3.13Å; V1455-C1458 VanDerWaalsContact O-N 3.17Å; V1455-W1524 HydrophobicContact CG2-CZ2 3.71Å; V1455-F1637 HydrophobicContact CB-CD1 4.43Å; V1455-F1637 HydrophobicContact CG1-CD1 4.29Å; V1455-F1637 HydrophobicContact CG1-CE1 4.22Å; V1455-F1637 HydrophobicContact CG1-CE2 4.36Å; V1455-F1637 HydrophobicContact CG1-CZ 4.37Å; V1455-F1637 HydrophobicContact CG2-CB 4.23Å; V1455-F1637 HydrophobicContact CG2-CD1 4.39Å; V1455-F1637 HydrophobicContact CG2-CD2 4.22Å; V1455-F1637 HydrophobicContact CG2-CG 4.23Å | ||
| 1456 | P | 54.1 | Low | 60.2 | Low | 12.4 Ų | 12.4 | 52.2 Ų | 52.2 | 8% | 0.081 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140.1 | 179 | -19.6 | 29.6 | 0 | 0 | 0 | 110.6 | Y1454 C1458 W1524 L1531 F1637 L1638 Y1646 | Y1454-P1456 HydrophobicContact CD1-CG 4.22Å; Y1454-P1456 HydrophobicContact CE1-CB 4.23Å; Y1454-P1456 HydrophobicContact CE1-CG 4.04Å; Y1454-P1456 WeakPolarHBondContact O-CD 3.41Å; P1456-C1458 PolarHBondContact O-N 3.22Å; P1456-W1524 HydrophobicContact CB-CH2 4.08Å; P1456-W1524 HydrophobicContact CB-CZ2 4.14Å; P1456-W1524 HydrophobicContact CG-CH2 4.17Å; P1456-W1524 HydrophobicContact CG-CZ2 4.19Å; P1456-L1531 HydrophobicContact CB-CD2 3.86Å; P1456-L1531 VanDerWaalsContact CB-CD2 3.47Å; P1456-L1531 HydrophobicContact CG-CD2 4.09Å; P1456-F1637 WeakPolarHBondContact CG-O 3.05Å; P1456-L1638 HydrophobicContact CB-CD2 3.97Å; P1456-L1638 HydrophobicContact CG-CD2 4.47Å; P1456-Y1646 HydrophobicContact CG-CE2 3.95Å |
| 1457 | M | 53.6 | Low | 59.2 | Low | 42 Ų | 42 | 55.6 Ų | 55.6 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -5.5 | -174.1 | -53.5 | -71.1 | -70.8 | 0 | 0 | 115.9 | V1455 E1459 Y1460 F1461 A1462 K1463 E1466 T1519 L1531 V1533 F1640 | V1455-M1457 PolarHBondContact O-N 2.89Å; M1457-E1459 VanDerWaalsContact C-N 3.34Å; M1457-E1459 PolarHBondContact O-N 3.2Å; M1457-Y1460 CarbonylContact O-C 3.53Å; M1457-Y1460 WeakPolarHBondContact O-CA 3.49Å; M1457-Y1460 WeakPolarHBondContact O-CB 3.22Å; M1457-Y1460 PolarHBondContact O-N 3.13Å; M1457-Y1460 HydrophobicContact SD-CD1 4.4Å; M1457-Y1460 HydrophobicContact SD-CG 4.22Å; M1457-F1461 VanDerWaalsContact C-CD2 3.47Å; M1457-F1461 HydrophobicContact CB-CD2 3.67Å; M1457-F1461 HydrophobicContact CB-CE2 3.43Å; M1457-F1461 HydrophobicContact CB-CG 4.01Å; M1457-F1461 HydrophobicContact CB-CZ 3.88Å; M1457-F1461 HydrophobicContact CE-CD1 4Å; M1457-F1461 HydrophobicContact CE-CD2 4.38Å; M1457-F1461 HydrophobicContact CE-CE1 3.42Å; M1457-F1461 VanDerWaalsContact CE-CE1 3.42Å; M1457-F1461 HydrophobicContact CE-CE2 3.81Å; M1457-F1461 HydrophobicContact CE-CG 4.48Å; M1457-F1461 HydrophobicContact CE-CZ 3.29Å; M1457-F1461 HydrophobicContact CG-CD2 4.43Å; M1457-F1461 HydrophobicContact CG-CE2 3.97Å; M1457-F1461 HydrophobicContact CG-CZ 4.36Å; M1457-F1461 WeakPolarHBondContact O-CA 3.07Å; M1457-F1461 WeakPolarHBondContact O-CB 3.35Å; M1457-F1461 WeakPolarHBondContact O-CD2 3.31Å; M1457-F1461 WeakPolarHBondContact O-CG 3.18Å; M1457-F1461 PolarHBondContact O-N 2.76Å; M1457-A1462 HydrophobicContact SD-CB 4.38Å; M1457-K1463 WeakPolarHBondContact O-CE 3.5Å; M1457-E1466 HydrophobicContact CE-CG 3.66Å; M1457-E1466 VanDerWaalsContact CE-OE1 3.31Å; M1457-E1466 WeakPolarHBondContact CE-OE1 3.42Å; M1457-T1519 HydrophobicContact CE-CG2 4.15Å; M1457-L1531 HydrophobicContact CG-CD2 4.14Å; M1457-V1533 HydrophobicContact CE-CB 4.4Å; M1457-V1533 HydrophobicContact CE-CG1 3.74Å; M1457-V1533 HydrophobicContact CE-CG2 3.76Å; M1457-V1533 HydrophobicContact SD-CG1 3.99Å; M1457-V1533 HydrophobicContact SD-CG2 4.14Å; M1457-F1640 HydrophobicContact CG-CE2 4.49Å |
| 1458 | C | 51.2 | Low | 58.8 | Low | 20 Ų | 20 | 55.8 Ų | 55.8 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | trans | -84.9 | -7.2 | 177.3 | -73 | 0 | 0 | 0 | 0 | 114.2 | F931 K1082 S1085 V1455 P1456 Y1460 A1462 K1463 | F931-C1458 HydrophobicContact CE1-CB 4.46Å; F931-C1458 WeakPolarHBondContact CE1-O 3.36Å; F931-C1458 HydrophobicContact CZ-CB 3.81Å; F931-C1458 WeakPolarHBondContact CZ-O 3.23Å; K1082-C1458 HydrophobicContact CD-CB 4.28Å; K1082-C1458 HydrophobicContact CG-CB 4.28Å; S1085-C1458 WeakPolarHBondContact CB-SG 3.05Å; V1455-C1458 HydrophobicContact CB-CB 3.89Å; V1455-C1458 HydrophobicContact CG1-CB 3.88Å; V1455-C1458 VanDerWaalsContact CG1-SG 3.5Å; V1455-C1458 WeakPolarHBondContact CG1-SG 3.36Å; V1455-C1458 WeakPolarHBondContact O-CA 3.3Å; V1455-C1458 VanDerWaalsContact O-CB 3.22Å; V1455-C1458 WeakPolarHBondContact O-CB 3.27Å; V1455-C1458 PolarHBondContact O-N 3.13Å; V1455-C1458 VanDerWaalsContact O-N 3.17Å; P1456-C1458 PolarHBondContact O-N 3.22Å; C1458-Y1460 PolarHBondContact O-N 3.22Å; C1458-A1462 WeakPolarHBondContact O-CA 3.28Å; C1458-A1462 WeakPolarHBondContact O-CB 3.27Å; C1458-A1462 PolarHBondContact O-N 3.13Å; C1458-K1463 WeakPolarHBondContact O-CE 3.44Å; C1458-K1463 PolarHBondContact O-NZ 3.24Å | ||
| 1459 | E | 50.3 | Low | 59.1 | Low | 95.6 Ų | 95.6 | 55 Ų | 55 | 45% | 0.447 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -79.4 | 138.5 | 171.7 | -79 | -167.6 | 153.7 | 0 | 0 | 112.1 | Y1454 M1457 F1461 A1462 K1463 | Y1454-E1459 HydrophobicContact CE2-CB 3.99Å; Y1454-E1459 HydrophobicContact CE2-CG 4.14Å; Y1454-E1459 WeakPolarHBondContact CE2-OE1 3.35Å; Y1454-E1459 VanDerWaalsContact CE2-OE2 3.27Å; Y1454-E1459 WeakPolarHBondContact CE2-OE2 3.31Å; Y1454-E1459 VanDerWaalsContact CZ-OE2 3.31Å; Y1454-E1459 PolarHBondContact OH-OE1 2.93Å; Y1454-E1459 PolarHBondContact OH-OE2 3.09Å; M1457-E1459 VanDerWaalsContact C-N 3.34Å; M1457-E1459 PolarHBondContact O-N 3.2Å; E1459-F1461 VanDerWaalsContact C-N 3.31Å; E1459-F1461 PolarHBondContact O-N 3.13Å; E1459-A1462 HydrophobicContact CB-CB 4.24Å; E1459-A1462 WeakPolarHBondContact O-CB 3.43Å; E1459-A1462 PolarHBondContact O-N 3.45Å; E1459-A1462 VanDerWaalsContact O-N 3.12Å; E1459-K1463 WeakPolarHBondContact O-CB 3.36Å; E1459-K1463 VanDerWaalsContact O-CD 3.23Å; E1459-K1463 WeakPolarHBondContact O-CD 3.22Å; E1459-K1463 WeakPolarHBondContact O-CE 3.34Å; E1459-K1463 VanDerWaalsContact O-CG 3.31Å; E1459-K1463 WeakPolarHBondContact O-CG 3.35Å; E1459-K1463 PolarHBondContact O-N 3.24Å; E1459-K1463 VanDerWaalsContact O-N 3.14Å; E1459-K1463 PolarHBondContact O-NZ 3.21Å; E1459-K1463 IonicContact OE2-NZ 2.64Å; E1459-K1463 PolarHBondContact OE2-NZ 3.38Å |
| 1460 | Y | 49.9 | Very low | 59.6 | Low | 102.4 Ų | 102.4 | 53.5 Ų | 53.5 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -54 | 175.6 | -154.6 | -89.9 | 0 | 0 | 0 | 110.4 | F931 G932 H1072 S1074 P1075 I1078 M1457 C1458 A1462 K1463 T1464 | F931-Y1460 HydrophobicContact CB-CD2 4.12Å; G932-Y1460 VanDerWaalsContact CA-CD2 3.49Å; H1072-Y1460 PolarHBondContact CD2-OH 3.03Å; H1072-Y1460 AromaticContact NE2-CE1 3.62Å; H1072-Y1460 WeakPolarHBondContact NE2-CE1 3.49Å; H1072-Y1460 AromaticContact NE2-CZ 3.52Å; H1072-Y1460 PolarHBondContact NE2-OH 3.22Å; S1074-Y1460 VanDerWaalsContact CB-OH 3.24Å; S1074-Y1460 WeakPolarHBondContact CB-OH 3.31Å; P1075-Y1460 HydrophobicContact CG-CD2 4.25Å; P1075-Y1460 HydrophobicContact CG-CE2 4.01Å; I1078-Y1460 HydrophobicContact CD1-CD2 4.48Å; M1457-Y1460 CarbonylContact O-C 3.53Å; M1457-Y1460 WeakPolarHBondContact O-CA 3.49Å; M1457-Y1460 WeakPolarHBondContact O-CB 3.22Å; M1457-Y1460 PolarHBondContact O-N 3.13Å; M1457-Y1460 HydrophobicContact SD-CD1 4.4Å; M1457-Y1460 HydrophobicContact SD-CG 4.22Å; C1458-Y1460 PolarHBondContact O-N 3.22Å; Y1460-A1462 VanDerWaalsContact C-N 3.34Å; Y1460-A1462 PolarHBondContact O-N 2.94Å; Y1460-K1463 CarbonylContact O-C 3.4Å; Y1460-K1463 VanDerWaalsContact O-CA 3.28Å; Y1460-K1463 WeakPolarHBondContact O-CA 3.35Å; Y1460-K1463 PolarHBondContact O-N 2.84Å; Y1460-K1463 VanDerWaalsContact O-N 3.15Å; Y1460-T1464 HydrophobicContact CD1-CG2 4.09Å; Y1460-T1464 HydrophobicContact CE1-CG2 3.93Å; Y1460-T1464 WeakPolarHBondContact O-CA 3.48Å; Y1460-T1464 WeakPolarHBondContact O-CB 3.29Å; Y1460-T1464 WeakPolarHBondContact O-CG2 3.43Å; Y1460-T1464 PolarHBondContact O-N 3.02Å; Y1460-T1464 VanDerWaalsContact O-N 3.15Å; Y1460-T1464 PolarHBondContact O-OG1 3.04Å |
| 1461 | F | 45.5 | Very low | 60.3 | Low | 91 Ų | 91 | 52.1 Ų | 52.1 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.2 | -65.8 | -65.7 | 0 | 0 | 0 | 113.2 | M1457 E1459 K1463 T1464 Y1465 T1519 S1522 W1524 V1533 | M1457-F1461 VanDerWaalsContact C-CD2 3.47Å; M1457-F1461 HydrophobicContact CB-CD2 3.67Å; M1457-F1461 HydrophobicContact CB-CE2 3.43Å; M1457-F1461 HydrophobicContact CB-CG 4.01Å; M1457-F1461 HydrophobicContact CB-CZ 3.88Å; M1457-F1461 HydrophobicContact CE-CD1 4Å; M1457-F1461 HydrophobicContact CE-CD2 4.38Å; M1457-F1461 HydrophobicContact CE-CE1 3.42Å; M1457-F1461 VanDerWaalsContact CE-CE1 3.42Å; M1457-F1461 HydrophobicContact CE-CE2 3.81Å; M1457-F1461 HydrophobicContact CE-CG 4.48Å; M1457-F1461 HydrophobicContact CE-CZ 3.29Å; M1457-F1461 HydrophobicContact CG-CD2 4.43Å; M1457-F1461 HydrophobicContact CG-CE2 3.97Å; M1457-F1461 HydrophobicContact CG-CZ 4.36Å; M1457-F1461 WeakPolarHBondContact O-CA 3.07Å; M1457-F1461 WeakPolarHBondContact O-CB 3.35Å; M1457-F1461 WeakPolarHBondContact O-CD2 3.31Å; M1457-F1461 WeakPolarHBondContact O-CG 3.18Å; M1457-F1461 PolarHBondContact O-N 2.76Å; E1459-F1461 VanDerWaalsContact C-N 3.31Å; E1459-F1461 PolarHBondContact O-N 3.13Å; F1461-K1463 VanDerWaalsContact C-N 3.31Å; F1461-K1463 PolarHBondContact O-N 3.18Å; F1461-T1464 WeakPolarHBondContact CA-OG1 3.28Å; F1461-T1464 CarbonylContact O-C 3.53Å; F1461-T1464 PolarHBondContact O-N 2.9Å; F1461-T1464 PolarHBondContact O-OG1 3.17Å; F1461-Y1465 HydrophobicContact CB-CD2 4.02Å; F1461-Y1465 HydrophobicContact CB-CE2 4.42Å; F1461-Y1465 HydrophobicContact CB-CG 4.41Å; F1461-Y1465 AromaticContact CD1-CD2 3.4Å; F1461-Y1465 HydrophobicContact CD1-CD2 3.4Å; F1461-Y1465 AromaticContact CD1-CE2 3.72Å; F1461-Y1465 HydrophobicContact CD1-CE2 3.72Å; F1461-Y1465 HydrophobicContact CE1-CD2 4.16Å; F1461-Y1465 HydrophobicContact CE1-CE2 4.06Å; F1461-Y1465 AromaticContact CG-CD2 3.76Å; F1461-Y1465 HydrophobicContact CG-CD2 3.76Å; F1461-Y1465 HydrophobicContact CG-CE2 4.13Å; F1461-Y1465 WeakPolarHBondContact O-CA 3.18Å; F1461-Y1465 WeakPolarHBondContact O-CB 3.29Å; F1461-Y1465 VanDerWaalsContact O-CD2 3.28Å; F1461-Y1465 WeakPolarHBondContact O-CD2 3.38Å; F1461-Y1465 PolarHBondContact O-N 3.12Å; F1461-Y1465 VanDerWaalsContact O-N 3.11Å; F1461-T1519 HydrophobicContact CD1-CG2 4.34Å; F1461-T1519 PolarHBondContact O-OG1 3.05Å; F1461-T1519 VanDerWaalsContact O-OG1 3.07Å; F1461-S1522 VanDerWaalsContact CZ-CB 3.47Å; F1461-W1524 HydrophobicContact CE2-CZ2 4.5Å; F1461-V1533 HydrophobicContact CD1-CG1 3.77Å; F1461-V1533 HydrophobicContact CE1-CG1 3.69Å; F1461-V1533 HydrophobicContact CZ-CG1 4.49Å; F1461-V1533 HydrophobicContact CZ-CG2 4.25Å |
| 1462 | A | 49.5 | Very low | 61.3 | Low | 37.4 Ų | 37.4 | 51 Ų | 51 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1457 C1458 E1459 Y1460 T1464 Y1465 E1466 | M1457-A1462 HydrophobicContact SD-CB 4.38Å; C1458-A1462 WeakPolarHBondContact O-CA 3.28Å; C1458-A1462 WeakPolarHBondContact O-CB 3.27Å; C1458-A1462 PolarHBondContact O-N 3.13Å; E1459-A1462 HydrophobicContact CB-CB 4.24Å; E1459-A1462 WeakPolarHBondContact O-CB 3.43Å; E1459-A1462 PolarHBondContact O-N 3.45Å; E1459-A1462 VanDerWaalsContact O-N 3.12Å; Y1460-A1462 VanDerWaalsContact C-N 3.34Å; Y1460-A1462 PolarHBondContact O-N 2.94Å; A1462-T1464 VanDerWaalsContact C-N 3.33Å; A1462-T1464 PolarHBondContact O-N 3.22Å; A1462-Y1465 VanDerWaalsContact O-CB 3.26Å; A1462-Y1465 WeakPolarHBondContact O-CB 3.4Å; A1462-Y1465 PolarHBondContact O-N 3.11Å; A1462-Y1465 VanDerWaalsContact O-N 3.14Å; A1462-E1466 PolarHBondContact O-N 2.85Å; A1462-E1466 VanDerWaalsContact O-N 3.14Å |
| 1463 | K | 51.9 | Low | 62.3 | Low | 59.8 Ų | 59.8 | 53.1 Ų | 53.1 | 26% | 0.26 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.2 | -24.6 | 173.8 | -69.9 | 175.7 | 178.5 | 164 | 0 | 113.1 | F931 P1075 I1078 D1079 T1081 S1085 M1457 C1458 E1459 Y1460 F1461 Y1465 E1466 Q1467 | F931-K1463 HydrophobicContact CD2-CD 4.16Å; F931-K1463 HydrophobicContact CE2-CD 4.34Å; P1075-K1463 HydrophobicContact CB-CB 3.65Å; P1075-K1463 HydrophobicContact CG-CB 4.16Å; I1078-K1463 PolarHBondContact O-NZ 3.06Å; D1079-K1463 PolarHBondContact O-NZ 2.66Å; D1079-K1463 IonicContact OD1-NZ 3.64Å; D1079-K1463 PolarHBondContact OD1-NZ 2.81Å; D1079-K1463 IonicContact OD2-NZ 2.97Å; T1081-K1463 WeakPolarHBondContact OG1-CE 3.44Å; T1081-K1463 PolarHBondContact OG1-NZ 3.12Å; T1081-K1463 VanDerWaalsContact OG1-NZ 3.16Å; S1085-K1463 WeakPolarHBondContact OG-CE 3.35Å; S1085-K1463 PolarHBondContact OG-NZ 2.89Å; M1457-K1463 WeakPolarHBondContact O-CE 3.5Å; C1458-K1463 WeakPolarHBondContact O-CE 3.44Å; C1458-K1463 PolarHBondContact O-NZ 3.24Å; E1459-K1463 WeakPolarHBondContact O-CB 3.36Å; E1459-K1463 VanDerWaalsContact O-CD 3.23Å; E1459-K1463 WeakPolarHBondContact O-CD 3.22Å; E1459-K1463 WeakPolarHBondContact O-CE 3.34Å; E1459-K1463 VanDerWaalsContact O-CG 3.31Å; E1459-K1463 WeakPolarHBondContact O-CG 3.35Å; E1459-K1463 PolarHBondContact O-N 3.24Å; E1459-K1463 VanDerWaalsContact O-N 3.14Å; E1459-K1463 PolarHBondContact O-NZ 3.21Å; E1459-K1463 IonicContact OE2-NZ 2.64Å; E1459-K1463 PolarHBondContact OE2-NZ 3.38Å; Y1460-K1463 CarbonylContact O-C 3.4Å; Y1460-K1463 VanDerWaalsContact O-CA 3.28Å; Y1460-K1463 WeakPolarHBondContact O-CA 3.35Å; Y1460-K1463 PolarHBondContact O-N 2.84Å; Y1460-K1463 VanDerWaalsContact O-N 3.15Å; F1461-K1463 VanDerWaalsContact C-N 3.31Å; F1461-K1463 PolarHBondContact O-N 3.18Å; K1463-Y1465 VanDerWaalsContact C-N 3.28Å; K1463-Y1465 PolarHBondContact O-N 3.18Å; K1463-E1466 WeakPolarHBondContact CG-OE2 3.33Å; K1463-E1466 WeakPolarHBondContact O-CB 3.33Å; K1463-E1466 PolarHBondContact O-N 2.78Å; K1463-Q1467 VanDerWaalsContact C-CD 3.42Å; K1463-Q1467 CarbonylContact O-C 3.59Å; K1463-Q1467 WeakPolarHBondContact O-CA 3.45Å; K1463-Q1467 VanDerWaalsContact O-CB 3.32Å; K1463-Q1467 WeakPolarHBondContact O-CB 3.45Å; K1463-Q1467 WeakPolarHBondContact O-CG 3.42Å; K1463-Q1467 PolarHBondContact O-N 3.4Å; K1463-Q1467 VanDerWaalsContact O-N 3.13Å; K1463-Q1467 PolarHBondContact O-NE2 2.81Å; K1463-Q1467 VanDerWaalsContact O-O 3.07Å; K1463-Q1467 PolarHBondContact O-OE1 3.39Å |
| 1464 | T | 51.4 | Low | 63.4 | Low | 16.2 Ų | 16.2 | 54.4 Ų | 54.4 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -86.1 | -20.3 | 176 | 73.8 | 0 | 0 | 0 | 0 | 113 | H1072 P1075 Y1460 F1461 A1462 E1466 Q1467 G1468 V1469 T1519 | H1072-T1464 VanDerWaalsContact CE1-CG2 3.45Å; H1072-T1464 WeakPolarHBondContact CE1-CG2 3.35Å; P1075-T1464 HydrophobicContact CG-CG2 4.37Å; Y1460-T1464 HydrophobicContact CD1-CG2 4.09Å; Y1460-T1464 HydrophobicContact CE1-CG2 3.93Å; Y1460-T1464 WeakPolarHBondContact O-CA 3.48Å; Y1460-T1464 WeakPolarHBondContact O-CB 3.29Å; Y1460-T1464 WeakPolarHBondContact O-CG2 3.43Å; Y1460-T1464 PolarHBondContact O-N 3.02Å; Y1460-T1464 VanDerWaalsContact O-N 3.15Å; Y1460-T1464 PolarHBondContact O-OG1 3.04Å; F1461-T1464 WeakPolarHBondContact CA-OG1 3.28Å; F1461-T1464 CarbonylContact O-C 3.53Å; F1461-T1464 PolarHBondContact O-N 2.9Å; F1461-T1464 PolarHBondContact O-OG1 3.17Å; A1462-T1464 VanDerWaalsContact C-N 3.33Å; A1462-T1464 PolarHBondContact O-N 3.22Å; T1464-E1466 VanDerWaalsContact C-N 3.31Å; T1464-E1466 PolarHBondContact O-N 3.45Å; T1464-Q1467 PolarHBondContact O-N 3.12Å; T1464-G1468 CarbonylContact O-C 3.53Å; T1464-G1468 PolarHBondContact O-N 2.98Å; T1464-V1469 HydrophobicContact CG2-CG2 4.27Å; T1464-T1519 WeakPolarHBondContact CB-OG1 3.47Å; T1464-T1519 PolarHBondContact O-N 3.01Å; T1464-T1519 PolarHBondContact O-OG1 3.01Å; T1464-T1519 VanDerWaalsContact O-OG1 3.07Å; T1464-T1519 VanDerWaalsContact OG1-CG2 3.22Å; T1464-T1519 WeakPolarHBondContact OG1-CG2 3.47Å; T1464-T1519 PolarHBondContact OG1-OG1 2.89Å |
| 1465 | Y | 51.9 | Low | 64.8 | Low | 98 Ų | 98 | 50.5 Ų | 50.5 | 38% | 0.384 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.3 | -22.3 | 175.9 | -106.9 | -82 | 0 | 0 | 0 | 113.3 | F1461 A1462 K1463 Q1467 G1468 V1469 A1517 W1518 T1519 | F1461-Y1465 HydrophobicContact CB-CD2 4.02Å; F1461-Y1465 HydrophobicContact CB-CE2 4.42Å; F1461-Y1465 HydrophobicContact CB-CG 4.41Å; F1461-Y1465 AromaticContact CD1-CD2 3.4Å; F1461-Y1465 HydrophobicContact CD1-CD2 3.4Å; F1461-Y1465 AromaticContact CD1-CE2 3.72Å; F1461-Y1465 HydrophobicContact CD1-CE2 3.72Å; F1461-Y1465 HydrophobicContact CE1-CD2 4.16Å; F1461-Y1465 HydrophobicContact CE1-CE2 4.06Å; F1461-Y1465 AromaticContact CG-CD2 3.76Å; F1461-Y1465 HydrophobicContact CG-CD2 3.76Å; F1461-Y1465 HydrophobicContact CG-CE2 4.13Å; F1461-Y1465 WeakPolarHBondContact O-CA 3.18Å; F1461-Y1465 WeakPolarHBondContact O-CB 3.29Å; F1461-Y1465 VanDerWaalsContact O-CD2 3.28Å; F1461-Y1465 WeakPolarHBondContact O-CD2 3.38Å; F1461-Y1465 PolarHBondContact O-N 3.12Å; F1461-Y1465 VanDerWaalsContact O-N 3.11Å; A1462-Y1465 VanDerWaalsContact O-CB 3.26Å; A1462-Y1465 WeakPolarHBondContact O-CB 3.4Å; A1462-Y1465 PolarHBondContact O-N 3.11Å; A1462-Y1465 VanDerWaalsContact O-N 3.14Å; K1463-Y1465 VanDerWaalsContact C-N 3.28Å; K1463-Y1465 PolarHBondContact O-N 3.18Å; Y1465-Q1467 VanDerWaalsContact C-N 3.3Å; Y1465-Q1467 PolarHBondContact O-N 2.91Å; Y1465-Q1467 VanDerWaalsContact O-N 3.1Å; Y1465-G1468 PolarHBondContact O-N 2.84Å; Y1465-G1468 VanDerWaalsContact O-N 3.13Å; Y1465-V1469 HydrophobicContact CD1-CB 4.47Å; Y1465-V1469 HydrophobicContact CD1-CG2 3.95Å; Y1465-V1469 HydrophobicContact CE1-CB 4.25Å; Y1465-V1469 HydrophobicContact CE1-CG2 3.81Å; Y1465-V1469 VanDerWaalsContact CE1-CG2 3.42Å; Y1465-V1469 HydrophobicContact CG-CG2 4.46Å; Y1465-A1517 HydrophobicContact CD1-CB 4.23Å; Y1465-A1517 HydrophobicContact CE1-CB 4.17Å; Y1465-W1518 CarbonylContact O-C 3.57Å; Y1465-W1518 WeakPolarHBondContact O-CA 3.34Å; Y1465-W1518 WeakPolarHBondContact O-CB 3.4Å; Y1465-T1519 WeakPolarHBondContact CA-OG1 3.42Å; Y1465-T1519 WeakPolarHBondContact CB-OG1 3.44Å; Y1465-T1519 WeakPolarHBondContact CD2-O 3.44Å; Y1465-T1519 PolarHBondContact N-OG1 3.46Å; Y1465-T1519 VanDerWaalsContact N-OG1 3.14Å; Y1465-T1519 PolarHBondContact O-N 2.93Å; Y1465-T1519 PolarHBondContact O-OG1 2.84Å |
| 1466 | E | 55.4 | Low | 66.2 | Low | 84.8 Ų | 84.8 | 56 Ų | 56 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -84.9 | -17 | 169 | -68.9 | -175.6 | 156 | 0 | 0 | 112 | M1457 A1462 K1463 T1464 G1468 T1519 | M1457-E1466 HydrophobicContact CE-CG 3.66Å; M1457-E1466 VanDerWaalsContact CE-OE1 3.31Å; M1457-E1466 WeakPolarHBondContact CE-OE1 3.42Å; A1462-E1466 PolarHBondContact O-N 2.85Å; A1462-E1466 VanDerWaalsContact O-N 3.14Å; K1463-E1466 WeakPolarHBondContact CG-OE2 3.33Å; K1463-E1466 WeakPolarHBondContact O-CB 3.33Å; K1463-E1466 PolarHBondContact O-N 2.78Å; T1464-E1466 VanDerWaalsContact C-N 3.31Å; T1464-E1466 PolarHBondContact O-N 3.45Å; E1466-G1468 PolarHBondContact O-N 2.78Å; E1466-T1519 WeakPolarHBondContact CA-O 3.48Å; E1466-T1519 WeakPolarHBondContact CA-OG1 3.48Å; E1466-T1519 WeakPolarHBondContact CG-OG1 3.37Å; E1466-T1519 PolarHBondContact N-OG1 3.02Å |
| 1467 | Q | 60.3 | Low | 67.9 | Low | 88.2 Ų | 88.2 | 57.7 Ų | 57.7 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 26.5 | 178.6 | -60.5 | -169.6 | -13.1 | 0 | 0 | 112.9 | F1128 G1129 K1463 T1464 Y1465 V1469 | F1128-Q1467 WeakPolarHBondContact CA-O 3.49Å; G1129-Q1467 PolarHBondContact N-O 3.14Å; K1463-Q1467 VanDerWaalsContact C-CD 3.42Å; K1463-Q1467 CarbonylContact O-C 3.59Å; K1463-Q1467 WeakPolarHBondContact O-CA 3.45Å; K1463-Q1467 VanDerWaalsContact O-CB 3.32Å; K1463-Q1467 WeakPolarHBondContact O-CB 3.45Å; K1463-Q1467 WeakPolarHBondContact O-CG 3.42Å; K1463-Q1467 PolarHBondContact O-N 3.4Å; K1463-Q1467 VanDerWaalsContact O-N 3.13Å; K1463-Q1467 PolarHBondContact O-NE2 2.81Å; K1463-Q1467 VanDerWaalsContact O-O 3.07Å; K1463-Q1467 PolarHBondContact O-OE1 3.39Å; T1464-Q1467 PolarHBondContact O-N 3.12Å; Y1465-Q1467 VanDerWaalsContact C-N 3.3Å; Y1465-Q1467 PolarHBondContact O-N 2.91Å; Y1465-Q1467 VanDerWaalsContact O-N 3.1Å; Q1467-V1469 PolarHBondContact O-N 2.84Å |
| 1468 | G | 68.9 | Low | 69.6 | Low | 7.6 Ų | 7.6 | 57.6 Ų | 57.6 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | trans | 45.8 | 145.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1129 T1130 T1464 Y1465 E1466 N1470 A1517 | G1129-G1468 CarbonylContact C-O 3.56Å; G1129-G1468 WeakPolarHBondContact CA-O 3.4Å; G1129-G1468 PolarHBondContact N-O 2.85Å; G1129-G1468 VanDerWaalsContact N-O 3.15Å; T1130-G1468 PolarHBondContact N-O 3.16Å; T1130-G1468 VanDerWaalsContact N-O 3.08Å; T1464-G1468 CarbonylContact O-C 3.53Å; T1464-G1468 PolarHBondContact O-N 2.98Å; Y1465-G1468 PolarHBondContact O-N 2.84Å; Y1465-G1468 VanDerWaalsContact O-N 3.13Å; E1466-G1468 PolarHBondContact O-N 2.78Å; G1468-N1470 PolarHBondContact O-N 2.64Å; G1468-N1470 VanDerWaalsContact O-N 3.11Å; G1468-N1470 PolarHBondContact O-ND2 3.22Å; G1468-A1517 CarbonylContact C-O 3.5Å; G1468-A1517 VanDerWaalsContact CA-O 3.28Å; G1468-A1517 WeakPolarHBondContact CA-O 3.26Å | ||
| 1469 | V | 78.7 | Confident | 71.4 | Confident | 44.6 Ų | 44.6 | 58.6 Ų | 58.6 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.7 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | T1130 T1464 Y1465 Q1467 S1516 A1517 | T1130-V1469 HydrophobicContact CG2-CG1 4.44Å; T1130-V1469 CarbonylContact O-C 3.48Å; T1130-V1469 WeakPolarHBondContact O-CA 3.29Å; T1464-V1469 HydrophobicContact CG2-CG2 4.27Å; Y1465-V1469 HydrophobicContact CD1-CB 4.47Å; Y1465-V1469 HydrophobicContact CD1-CG2 3.95Å; Y1465-V1469 HydrophobicContact CE1-CB 4.25Å; Y1465-V1469 HydrophobicContact CE1-CG2 3.81Å; Y1465-V1469 VanDerWaalsContact CE1-CG2 3.42Å; Y1465-V1469 HydrophobicContact CG-CG2 4.46Å; Q1467-V1469 PolarHBondContact O-N 2.84Å; V1469-S1516 CarbonylContact O-C 3.55Å; V1469-S1516 VanDerWaalsContact O-CA 3.27Å; V1469-S1516 WeakPolarHBondContact O-CA 3.42Å; V1469-A1517 HydrophobicContact CB-CB 4.41Å; V1469-A1517 PolarHBondContact N-O 3.03Å; V1469-A1517 VanDerWaalsContact N-O 3.07Å; V1469-A1517 PolarHBondContact O-N 3Å |
| 1470 | N | 84.5 | Confident | 73.2 | Confident | 57.8 Ų | 57.8 | 56.8 Ų | 56.8 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.9 | 170.8 | -106.9 | -21.7 | 0 | 0 | 0 | 109.1 | F1128 T1130 Q1131 L1132 G1468 L1515 S1516 W1518 | F1128-N1470 HydrophobicContact CB-CB 4.04Å; F1128-N1470 HydrophobicContact CD1-CB 3.97Å; F1128-N1470 HydrophobicContact CD2-CB 3.77Å; F1128-N1470 WeakPolarHBondContact CD2-ND2 3.29Å; F1128-N1470 HydrophobicContact CE1-CB 4.23Å; F1128-N1470 HydrophobicContact CE2-CB 4.21Å; F1128-N1470 WeakPolarHBondContact CE2-ND2 3.32Å; F1128-N1470 HydrophobicContact CG-CB 3.65Å; F1128-N1470 HydrophobicContact CZ-CB 4.34Å; T1130-N1470 PolarHBondContact O-N 3.32Å; Q1131-N1470 CarbonylContact C-O 3.53Å; Q1131-N1470 WeakPolarHBondContact CA-O 3.45Å; L1132-N1470 PolarHBondContact N-O 3.44Å; G1468-N1470 PolarHBondContact O-N 2.64Å; G1468-N1470 VanDerWaalsContact O-N 3.11Å; G1468-N1470 PolarHBondContact O-ND2 3.22Å; N1470-L1515 CarbonylContact C-O 3.54Å; N1470-L1515 VanDerWaalsContact CA-O 3.31Å; N1470-L1515 WeakPolarHBondContact CA-O 3.19Å; N1470-L1515 PolarHBondContact OD1-O 3.04Å; N1470-S1516 WeakPolarHBondContact OD1-CB 3.32Å; N1470-W1518 WeakPolarHBondContact ND2-CH2 3.39Å; N1470-W1518 WeakPolarHBondContact OD1-CH2 3.33Å; N1470-W1518 WeakPolarHBondContact OD1-CZ2 3.41Å; N1470-W1518 WeakPolarHBondContact OD1-CZ3 3.36Å |
| 1471 | A | 86.9 | Confident | 74.8 | Confident | 30.8 Ų | 30.8 | 53.8 Ų | 53.8 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1132 S1514 L1515 | L1132-A1471 HydrophobicContact CB-CB 4.04Å; L1132-A1471 HydrophobicContact CD1-CB 4.27Å; L1132-A1471 CarbonylContact O-C 3.57Å; L1132-A1471 VanDerWaalsContact O-CA 3.3Å; L1132-A1471 WeakPolarHBondContact O-CA 3.34Å; A1471-S1514 CarbonylContact O-C 3.52Å; A1471-S1514 WeakPolarHBondContact O-CA 3.33Å; A1471-L1515 HydrophobicContact CB-CB 4.39Å; A1471-L1515 PolarHBondContact N-O 3.01Å; A1471-L1515 PolarHBondContact O-N 3.01Å |
| 1472 | A | 88.9 | Confident | 76.6 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 28% | 0.281 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1132 Q1133 F1134 L1513 | L1132-A1472 PolarHBondContact O-N 3.12Å; Q1133-A1472 CarbonylContact C-O 3.53Å; Q1133-A1472 WeakPolarHBondContact CA-O 3.39Å; Q1133-A1472 HydrophobicContact CG-CB 4.5Å; F1134-A1472 PolarHBondContact N-O 2.78Å; A1472-L1513 CarbonylContact C-O 3.54Å; A1472-L1513 VanDerWaalsContact CA-O 3.3Å; A1472-L1513 WeakPolarHBondContact CA-O 3.36Å |
| 1473 | L | 90.6 | Very high | 78 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.4 | 174.4 | 166.8 | 63.2 | 0 | 0 | 0 | 108.5 | F1134 I1136 V1475 H1512 L1513 | F1134-L1473 HydrophobicContact CB-CD1 3.75Å; F1134-L1473 HydrophobicContact CD1-CD1 3.55Å; F1134-L1473 HydrophobicContact CE1-CD1 4.13Å; F1134-L1473 HydrophobicContact CG-CD1 4.44Å; F1134-L1473 CarbonylContact O-C 3.55Å; F1134-L1473 WeakPolarHBondContact O-CA 3.4Å; I1136-L1473 HydrophobicContact CD1-CD1 4.29Å; L1473-V1475 HydrophobicContact CD1-CG2 3.95Å; L1473-V1475 HydrophobicContact CD2-CG2 4.46Å; L1473-V1475 HydrophobicContact CG-CG2 4.11Å; L1473-H1512 CarbonylContact O-C 3.58Å; L1473-H1512 WeakPolarHBondContact O-CA 3.36Å; L1473-L1513 HydrophobicContact CB-CB 4.2Å; L1473-L1513 HydrophobicContact CB-CD1 4.45Å; L1473-L1513 HydrophobicContact CB-CD2 3.93Å; L1473-L1513 HydrophobicContact CD2-CB 4.46Å; L1473-L1513 HydrophobicContact CD2-CD1 3.71Å; L1473-L1513 HydrophobicContact CD2-CD2 4.27Å; L1473-L1513 HydrophobicContact CG-CB 4.42Å; L1473-L1513 HydrophobicContact CG-CD1 4.18Å; L1473-L1513 PolarHBondContact N-O 3.01Å; L1473-L1513 PolarHBondContact O-N 3.15Å |
| 1474 | T | 89.8 | Confident | 79.2 | Confident | 47.2 Ų | 47.2 | 47.1 Ų | 47.1 | 29% | 0.29 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.1 | 177.5 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | F1134 S1135 I1136 M1511 H1512 | F1134-T1474 PolarHBondContact O-N 3.04Å; F1134-T1474 PolarHBondContact O-OG1 3.05Å; F1134-T1474 VanDerWaalsContact O-OG1 3.09Å; S1135-T1474 CarbonylContact C-O 3.52Å; S1135-T1474 VanDerWaalsContact CA-O 3.28Å; S1135-T1474 WeakPolarHBondContact CA-O 3.38Å; S1135-T1474 WeakPolarHBondContact CA-OG1 3.41Å; S1135-T1474 VanDerWaalsContact CB-OG1 3.26Å; S1135-T1474 WeakPolarHBondContact CB-OG1 3.36Å; I1136-T1474 PolarHBondContact N-O 3.17Å; T1474-M1511 CarbonylContact C-O 3.49Å; T1474-M1511 WeakPolarHBondContact CA-O 3.34Å; T1474-H1512 HydrophobicContact CG2-CB 4.29Å; T1474-H1512 VanDerWaalsContact CG2-CD2 3.44Å; T1474-H1512 WeakPolarHBondContact CG2-CD2 3.41Å |
| 1475 | V | 89.1 | Confident | 80.1 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 117.4 | 179 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | I1136 L1473 I1478 K1510 M1511 | I1136-V1475 HydrophobicContact CB-CG1 4.1Å; I1136-V1475 HydrophobicContact CB-CG2 4.31Å; I1136-V1475 HydrophobicContact CD1-CG2 4.28Å; I1136-V1475 HydrophobicContact CG2-CG1 4.19Å; I1136-V1475 WeakPolarHBondContact O-CA 3.4Å; L1473-V1475 HydrophobicContact CD1-CG2 3.95Å; L1473-V1475 HydrophobicContact CD2-CG2 4.46Å; L1473-V1475 HydrophobicContact CG-CG2 4.11Å; V1475-I1478 HydrophobicContact CB-CD1 4.47Å; V1475-I1478 HydrophobicContact CG1-CD1 3.89Å; V1475-I1478 HydrophobicContact CG1-CG1 3.56Å; V1475-I1478 VanDerWaalsContact CG1-CG1 3.47Å; V1475-K1510 CarbonylContact O-C 3.58Å; V1475-K1510 VanDerWaalsContact O-CA 3.29Å; V1475-K1510 WeakPolarHBondContact O-CA 3.4Å; V1475-M1511 HydrophobicContact CB-CB 4.36Å; V1475-M1511 PolarHBondContact N-O 3.02Å; V1475-M1511 PolarHBondContact O-N 3.1Å |
| 1476 | Q | 88.9 | Confident | 80.8 | Confident | 128.4 Ų | 128.4 | 48.1 Ų | 48.1 | 60% | 0.6 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | -40.7 | -174.3 | -49.5 | -180 | -1 | 0 | 0 | 112.4 | I1136 S1137 K1510 | I1136-Q1476 PolarHBondContact O-N 3.03Å; I1136-Q1476 VanDerWaalsContact O-N 3.11Å; S1137-Q1476 CarbonylContact O-C 3.57Å; S1137-Q1476 WeakPolarHBondContact O-CA 3.35Å; S1137-Q1476 WeakPolarHBondContact O-CB 3.4Å; S1137-Q1476 PolarHBondContact O-N 3.14Å; S1137-Q1476 VanDerWaalsContact O-N 3.11Å; Q1476-K1510 HydrophobicContact CB-CG 4.48Å; Q1476-K1510 WeakPolarHBondContact O-CA 3.36Å; Q1476-K1510 WeakPolarHBondContact O-CG 3.35Å; Q1476-K1510 PolarHBondContact O-N 2.94Å |
| 1477 | S | 89.4 | Confident | 81.1 | Confident | 49.4 Ų | 49.4 | 48.5 Ų | 48.5 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.7 | 167.5 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | S1137 T1138 L1139 L1508 | S1137-S1477 PolarHBondContact O-N 3.23Å; S1137-S1477 VanDerWaalsContact O-N 3.11Å; T1138-S1477 WeakPolarHBondContact CA-O 3.38Å; T1138-S1477 WeakPolarHBondContact CG2-OG 3.37Å; L1139-S1477 PolarHBondContact N-O 2.97Å; S1477-L1508 CarbonylContact C-O 3.56Å; S1477-L1508 VanDerWaalsContact CA-O 3.3Å; S1477-L1508 WeakPolarHBondContact CA-O 3.36Å |
| 1478 | I | 89.2 | Confident | 81.1 | Confident | 39.4 Ų | 39.4 | 50.2 Ų | 50.2 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.6 | 165.7 | -61.3 | 169.4 | 0 | 0 | 0 | 107.5 | L1139 V1475 L1480 T1507 L1508 | L1139-I1478 HydrophobicContact CB-CG1 4.28Å; L1139-I1478 HydrophobicContact CD2-CG1 4.39Å; L1139-I1478 HydrophobicContact CD2-CG2 3.91Å; L1139-I1478 CarbonylContact O-C 3.56Å; L1139-I1478 WeakPolarHBondContact O-CA 3.35Å; V1475-I1478 HydrophobicContact CB-CD1 4.47Å; V1475-I1478 HydrophobicContact CG1-CD1 3.89Å; V1475-I1478 HydrophobicContact CG1-CG1 3.56Å; V1475-I1478 VanDerWaalsContact CG1-CG1 3.47Å; I1478-L1480 HydrophobicContact CG2-CD2 4.06Å; I1478-L1480 HydrophobicContact CG2-CG 4.35Å; I1478-T1507 CarbonylContact O-C 3.56Å; I1478-T1507 VanDerWaalsContact O-CA 3.28Å; I1478-T1507 WeakPolarHBondContact O-CA 3.34Å; I1478-L1508 HydrophobicContact CB-CB 4.14Å; I1478-L1508 HydrophobicContact CB-CD1 4.23Å; I1478-L1508 HydrophobicContact CB-CG 4.49Å; I1478-L1508 HydrophobicContact CD1-CB 4.46Å; I1478-L1508 HydrophobicContact CD1-CD1 3.89Å; I1478-L1508 HydrophobicContact CG1-CD1 4.47Å; I1478-L1508 HydrophobicContact CG2-CD1 4.45Å; I1478-L1508 PolarHBondContact N-O 3.13Å; I1478-L1508 PolarHBondContact O-N 3.17Å |
| 1479 | S | 87.7 | Confident | 80.4 | Confident | 41.4 Ų | 41.4 | 56.2 Ų | 56.2 | 29% | 0.29 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 121.9 | 172.7 | 35 | 0 | 0 | 0 | 0 | 110.2 | L1139 L1140 L1141 C1506 | L1139-S1479 PolarHBondContact O-N 3.17Å; L1139-S1479 PolarHBondContact O-OG 2.9Å; L1140-S1479 WeakPolarHBondContact CA-O 3.37Å; L1140-S1479 VanDerWaalsContact CD1-OG 3.3Å; L1140-S1479 WeakPolarHBondContact CD1-OG 3.38Å; L1141-S1479 PolarHBondContact N-O 2.81Å; S1479-C1506 CarbonylContact C-O 3.5Å; S1479-C1506 WeakPolarHBondContact CA-O 3.31Å |
| 1480 | L | 87.8 | Confident | 79 | Confident | 56.4 Ų | 56.4 | 59.8 Ų | 59.8 | 30% | 0.295 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.9 | 173.6 | -69.7 | 171.2 | 0 | 0 | 0 | 108.5 | L1141 I1478 S1504 L1505 C1506 | L1141-L1480 HydrophobicContact CB-CD2 3.77Å; L1141-L1480 HydrophobicContact CD1-CD2 4.15Å; L1141-L1480 HydrophobicContact CG-CD2 4.26Å; L1141-L1480 CarbonylContact O-C 3.55Å; L1141-L1480 WeakPolarHBondContact O-CA 3.42Å; I1478-L1480 HydrophobicContact CG2-CD2 4.06Å; I1478-L1480 HydrophobicContact CG2-CG 4.35Å; L1480-S1504 WeakPolarHBondContact O-CA 3.22Å; L1480-S1504 PolarHBondContact O-OG 2.67Å; L1480-L1505 HydrophobicContact CB-CB 4.39Å; L1480-L1505 HydrophobicContact CB-CD2 4.21Å; L1480-L1505 HydrophobicContact CD1-CD2 4.02Å; L1480-L1505 HydrophobicContact CD2-CB 3.72Å; L1480-L1505 HydrophobicContact CD2-CD2 3.24Å; L1480-L1505 HydrophobicContact CD2-CG 3.83Å; L1480-L1505 WeakPolarHBondContact O-CB 3.26Å; L1480-L1505 PolarHBondContact O-N 3.11Å; L1480-C1506 HydrophobicContact CB-CB 4.14Å; L1480-C1506 HydrophobicContact CD1-CB 3.96Å; L1480-C1506 HydrophobicContact CG-CB 4.02Å; L1480-C1506 PolarHBondContact N-O 3.14Å; L1480-C1506 PolarHBondContact O-N 2.88Å |
| 1481 | L | 85.3 | Confident | 77.2 | Confident | 39.4 Ų | 39.4 | 62 Ų | 62 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 149.3 | 179 | -56.6 | -178 | 0 | 0 | 0 | 110.6 | L1140 L1141 N1142 C1143 R1503 | L1140-L1481 HydrophobicContact CD1-CD1 3.8Å; L1140-L1481 HydrophobicContact CD1-CG 4.04Å; L1141-L1481 PolarHBondContact O-N 3.1Å; N1142-L1481 WeakPolarHBondContact CA-O 3.33Å; N1142-L1481 HydrophobicContact CB-CB 4.25Å; C1143-L1481 PolarHBondContact N-O 3.26Å; L1481-R1503 CarbonylContact C-O 3.53Å; L1481-R1503 WeakPolarHBondContact CA-O 3.32Å |
| 1482 | V | 82.5 | Confident | 75.5 | Confident | 6.6 Ų | 6.6 | 65.1 Ų | 65.1 | 4% | 0.04 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.2 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 109 | C1143 L1145 E1502 R1503 L1505 P1553 L1557 | C1143-V1482 CarbonylContact O-C 3.53Å; C1143-V1482 VanDerWaalsContact O-CA 3.27Å; C1143-V1482 WeakPolarHBondContact O-CA 3.36Å; L1145-V1482 HydrophobicContact CB-CG1 4.41Å; L1145-V1482 HydrophobicContact CD1-CG1 4.21Å; V1482-E1502 CarbonylContact O-C 3.53Å; V1482-E1502 WeakPolarHBondContact O-CA 3.22Å; V1482-R1503 PolarHBondContact N-O 3Å; V1482-R1503 PolarHBondContact O-N 3.09Å; V1482-L1505 HydrophobicContact CG2-CB 3.96Å; V1482-L1505 HydrophobicContact CG2-CD1 3.65Å; V1482-L1505 HydrophobicContact CG2-CD2 4.1Å; V1482-L1505 HydrophobicContact CG2-CG 4.45Å; V1482-P1553 HydrophobicContact CB-CB 4.46Å; V1482-P1553 HydrophobicContact CG1-CB 3.86Å; V1482-L1557 HydrophobicContact CG1-CD2 4.33Å; V1482-L1557 HydrophobicContact CG2-CD2 3.65Å; V1482-L1557 VanDerWaalsContact CG2-CD2 3.47Å |
| 1483 | T | 79.3 | Confident | 73.5 | Confident | 20.6 Ų | 20.6 | 69.4 Ų | 69.4 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.8 | 177 | 26.8 | 0 | 0 | 0 | 0 | 110.9 | I1031 N1142 C1143 S1144 L1145 F1500 E1502 | I1031-T1483 HydrophobicContact CD1-CG2 4.16Å; I1031-T1483 VanDerWaalsContact CD1-OG1 3.26Å; I1031-T1483 WeakPolarHBondContact CD1-OG1 3.46Å; I1031-T1483 HydrophobicContact CG1-CG2 4.14Å; I1031-T1483 WeakPolarHBondContact CG1-OG1 3.41Å; N1142-T1483 WeakPolarHBondContact OD1-CG2 3.27Å; N1142-T1483 PolarHBondContact OD1-OG1 2.8Å; N1142-T1483 VanDerWaalsContact OD1-OG1 3.06Å; C1143-T1483 PolarHBondContact O-N 3.1Å; C1143-T1483 PolarHBondContact O-OG1 2.9Å; S1144-T1483 VanDerWaalsContact CA-OG1 3.29Å; S1144-T1483 WeakPolarHBondContact CA-OG1 3.32Å; S1144-T1483 WeakPolarHBondContact CB-OG1 3.36Å; L1145-T1483 PolarHBondContact N-O 2.97Å; T1483-F1500 HydrophobicContact CG2-CB 3.87Å; T1483-F1500 HydrophobicContact CG2-CD1 4.32Å; T1483-F1500 HydrophobicContact CG2-CG 4.43Å; T1483-E1502 HydrophobicContact CG2-CG 3.86Å |
| 1484 | E | 75.8 | Confident | 71.8 | Confident | 22.2 Ų | 22.2 | 72.7 Ų | 72.7 | 10% | 0.104 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.1 | 175.9 | -161.2 | -175.8 | -178.4 | 0 | 0 | 109.7 | L1145 R1486 F1500 A1501 R1503 P1553 | L1145-E1484 HydrophobicContact CD2-CG 4.38Å; E1484-R1486 VanDerWaalsContact CD-NH2 3.32Å; E1484-R1486 HydrophobicContact CG-CG 4.22Å; E1484-R1486 PolarHBondContact O-N 3.02Å; E1484-R1486 IonicContact OE1-CZ 3.25Å; E1484-R1486 VanDerWaalsContact OE1-CZ 3.27Å; E1484-R1486 IonicContact OE1-NE 3.31Å; E1484-R1486 PolarHBondContact OE1-NE 3.24Å; E1484-R1486 IonicContact OE1-NH2 3.18Å; E1484-R1486 PolarHBondContact OE1-NH2 3.29Å; E1484-R1486 IonicContact OE2-CZ 3.06Å; E1484-R1486 IonicContact OE2-NE 3.12Å; E1484-R1486 PolarHBondContact OE2-NE 3.03Å; E1484-R1486 IonicContact OE2-NH2 3.1Å; E1484-R1486 PolarHBondContact OE2-NH2 3.13Å; E1484-F1500 CarbonylContact O-C 3.52Å; E1484-F1500 WeakPolarHBondContact O-CA 3.3Å; E1484-A1501 HydrophobicContact CB-CB 4.46Å; E1484-A1501 PolarHBondContact N-O 3.01Å; E1484-A1501 PolarHBondContact O-N 3.16Å; E1484-R1503 VanDerWaalsContact CD-NH1 3.33Å; E1484-R1503 WeakPolarHBondContact OE1-CD 3.35Å; E1484-R1503 IonicContact OE1-CZ 3.22Å; E1484-R1503 IonicContact OE1-NE 3.6Å; E1484-R1503 IonicContact OE1-NH1 2.75Å; E1484-R1503 PolarHBondContact OE1-NH1 2.86Å; E1484-R1503 IonicContact OE2-CZ 3.15Å; E1484-R1503 IonicContact OE2-NE 3.3Å; E1484-R1503 IonicContact OE2-NH1 2.77Å; E1484-R1503 PolarHBondContact OE2-NH1 3.43Å; E1484-R1503 IonicContact OE2-NH2 2.98Å; E1484-P1553 HydrophobicContact CB-CG 4.15Å; E1484-P1553 VanDerWaalsContact CD-CG 3.49Å; E1484-P1553 HydrophobicContact CG-CB 4.09Å; E1484-P1553 HydrophobicContact CG-CG 4.1Å; E1484-P1553 VanDerWaalsContact OE1-CD 3.23Å; E1484-P1553 WeakPolarHBondContact OE1-CD 3.45Å; E1484-P1553 WeakPolarHBondContact OE1-CG 3.36Å; E1484-P1553 WeakPolarHBondContact OE2-CG 3.43Å |
| 1485 | P | 70.4 | Confident | 69.8 | Low | 32.8 Ų | 32.8 | 76.4 Ų | 76.4 | 21% | 0.213 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.9 | 168.5 | 29.5 | -32 | 0 | 0 | 0 | 109.7 | V1029 Q1147 V1498 T1499 F1500 | V1029-P1485 HydrophobicContact CG1-CB 4.28Å; Q1147-P1485 HydrophobicContact CB-CG 3.95Å; P1485-V1498 HydrophobicContact CB-CG1 3.83Å; P1485-T1499 CarbonylContact C-O 3.58Å; P1485-F1500 HydrophobicContact CB-CD1 4.26Å; P1485-F1500 HydrophobicContact CB-CE1 4Å |
| 1486 | R | 67 | Low | 68.3 | Low | 101.8 Ų | 101.8 | 80.8 Ų | 80.8 | 38% | 0.384 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.3 | 178.1 | -71.5 | -169.4 | 168.3 | -145.8 | -12.3 | 110.7 | E1484 F1488 V1498 T1499 A1501 R1503 | E1484-R1486 VanDerWaalsContact CD-NH2 3.32Å; E1484-R1486 HydrophobicContact CG-CG 4.22Å; E1484-R1486 PolarHBondContact O-N 3.02Å; E1484-R1486 IonicContact OE1-CZ 3.25Å; E1484-R1486 VanDerWaalsContact OE1-CZ 3.27Å; E1484-R1486 IonicContact OE1-NE 3.31Å; E1484-R1486 PolarHBondContact OE1-NE 3.24Å; E1484-R1486 IonicContact OE1-NH2 3.18Å; E1484-R1486 PolarHBondContact OE1-NH2 3.29Å; E1484-R1486 IonicContact OE2-CZ 3.06Å; E1484-R1486 IonicContact OE2-NE 3.12Å; E1484-R1486 PolarHBondContact OE2-NE 3.03Å; E1484-R1486 IonicContact OE2-NH2 3.1Å; E1484-R1486 PolarHBondContact OE2-NH2 3.13Å; R1486-F1488 PolarHBondContact O-N 3.27Å; R1486-V1498 CarbonylContact O-C 3.49Å; R1486-V1498 WeakPolarHBondContact O-CA 3.28Å; R1486-T1499 PolarHBondContact N-O 2.96Å; R1486-T1499 PolarHBondContact O-N 3.11Å; R1486-T1499 PolarHBondContact O-OG1 3.18Å; R1486-A1501 HydrophobicContact CG-CB 4.3Å; R1486-R1503 VanDerWaalsContact NH2-NH2 3.15Å |
| 1487 | E | 62.8 | Low | 66.8 | Low | 93.8 Ų | 93.8 | 82.8 Ų | 82.8 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.8 | 167.6 | -109.2 | -179.6 | -150.4 | 0 | 0 | 109.8 | L1149 K1496 V1498 | L1149-E1487 HydrophobicContact CD2-CB 3.9Å; L1149-E1487 HydrophobicContact CD2-CG 3.8Å; E1487-K1496 VanDerWaalsContact CD-CE 3.43Å; E1487-K1496 VanDerWaalsContact CD-NZ 3.3Å; E1487-K1496 HydrophobicContact CG-CB 4.32Å; E1487-K1496 HydrophobicContact CG-CD 4.4Å; E1487-K1496 HydrophobicContact CG-CG 4.41Å; E1487-K1496 WeakPolarHBondContact OE1-CD 3.35Å; E1487-K1496 WeakPolarHBondContact OE1-CE 3.35Å; E1487-K1496 IonicContact OE1-NZ 3.11Å; E1487-K1496 PolarHBondContact OE1-NZ 3.16Å; E1487-K1496 WeakPolarHBondContact OE2-CD 3.35Å; E1487-K1496 WeakPolarHBondContact OE2-CE 3.37Å; E1487-K1496 IonicContact OE2-NZ 3.07Å; E1487-K1496 PolarHBondContact OE2-NZ 3.27Å; E1487-V1498 HydrophobicContact CG-CG2 4.28Å |
| 1488 | F | 58.7 | Low | 65.7 | Low | 122 Ų | 122 | 83.4 Ų | 83.4 | 54% | 0.535 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.4 | 171 | -137.8 | -87 | 0 | 0 | 0 | 108.5 | R1486 M1490 R1497 T1499 | R1486-F1488 PolarHBondContact O-N 3.27Å; F1488-M1490 HydrophobicContact CD1-CG 3.77Å; F1488-M1490 HydrophobicContact CE1-CE 4.33Å; F1488-M1490 HydrophobicContact CE1-CG 3.92Å; F1488-M1490 HydrophobicContact CE1-SD 4.47Å; F1488-R1497 PolarHBondContact N-O 3.04Å; F1488-R1497 PolarHBondContact O-N 3.14Å; F1488-R1497 VanDerWaalsContact O-N 3.1Å; F1488-T1499 HydrophobicContact CB-CG2 4.29Å |
| 1489 | Q | 55.4 | Low | 64.7 | Low | 134 Ų | 134 | 84.6 Ų | 84.6 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 114.8 | 176.4 | -169.1 | 170.9 | 3.2 | 0 | 0 | 108.7 | S1491 | Q1489-S1491 WeakPolarHBondContact CG-O 3.33Å; Q1489-S1491 PolarHBondContact O-N 3.14Å |
| 1490 | M | 48 | Very low | 63.9 | Low | 121 Ų | 121 | 86.8 Ų | 86.8 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | trans | -92.4 | 115.4 | 177.2 | -67.9 | -134.3 | 71.9 | 0 | 0 | 109.9 | F1488 | F1488-M1490 HydrophobicContact CD1-CG 3.77Å; F1488-M1490 HydrophobicContact CE1-CE 4.33Å; F1488-M1490 HydrophobicContact CE1-CG 3.92Å; F1488-M1490 HydrophobicContact CE1-SD 4.47Å | ||
| 1491 | S | 48 | Very low | 63.3 | Low | 104 Ų | 104 | 85.4 Ų | 85.4 | 73% | 0.727 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 45.1 | 172.3 | -176 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | Q1489 D1493 | Q1489-S1491 WeakPolarHBondContact CG-O 3.33Å; Q1489-S1491 PolarHBondContact O-N 3.14Å; S1491-D1493 VanDerWaalsContact C-N 3.25Å; S1491-D1493 PolarHBondContact O-N 3.09Å |
| 1492 | A | 51.7 | Low | 62.8 | Low | 96.4 Ų | 96.4 | 88.6 Ų | 88.6 | 80% | 0.797 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -60.4 | -17.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1493 | D | 46.3 | Very low | 62.6 | Low | 123.6 Ų | 123.6 | 92.5 Ų | 92.5 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -111.8 | 132.3 | -173.7 | -85.3 | -48.5 | 0 | 0 | 0 | 114.1 | S1491 L1495 | S1491-D1493 VanDerWaalsContact C-N 3.25Å; S1491-D1493 PolarHBondContact O-N 3.09Å; D1493-L1495 VanDerWaalsContact C-N 3.32Å; D1493-L1495 PolarHBondContact O-N 2.98Å |
| 1494 | T | 55.1 | Low | 62.7 | Low | 133.2 Ų | 133.2 | 93.5 Ų | 93.5 | 82% | 0.817 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 13.5 | -8.1 | 171.2 | 58.9 | 0 | 0 | 0 | 0 | 120.7 | K1496 | T1494-K1496 PolarHBondContact O-N 3.32Å; T1494-K1496 VanDerWaalsContact O-N 3.15Å |
| 1495 | L | 48.1 | Very low | 63.1 | Low | 123.2 Ų | 123.2 | 93.6 Ų | 93.6 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | trans | -93.8 | 87.9 | -177 | -79.6 | 168.2 | 0 | 0 | 0 | 113.2 | D1493 R1497 | D1493-L1495 VanDerWaalsContact C-N 3.32Å; D1493-L1495 PolarHBondContact O-N 2.98Å; L1495-R1497 PolarHBondContact O-N 2.87Å | ||
| 1496 | K | 55.9 | Low | 63.8 | Low | 106.2 Ų | 106.2 | 92.8 Ų | 92.8 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 130.4 | 162.3 | -69.9 | -179.8 | 161.9 | -150.7 | 0 | 110.3 | E1150 E1487 T1494 | E1150-K1496 IonicContact OE1-NZ 3.64Å; E1150-K1496 PolarHBondContact OE1-NZ 3.11Å; E1487-K1496 VanDerWaalsContact CD-CE 3.43Å; E1487-K1496 VanDerWaalsContact CD-NZ 3.3Å; E1487-K1496 HydrophobicContact CG-CB 4.32Å; E1487-K1496 HydrophobicContact CG-CD 4.4Å; E1487-K1496 HydrophobicContact CG-CG 4.41Å; E1487-K1496 WeakPolarHBondContact OE1-CD 3.35Å; E1487-K1496 WeakPolarHBondContact OE1-CE 3.35Å; E1487-K1496 IonicContact OE1-NZ 3.11Å; E1487-K1496 PolarHBondContact OE1-NZ 3.16Å; E1487-K1496 WeakPolarHBondContact OE2-CD 3.35Å; E1487-K1496 WeakPolarHBondContact OE2-CE 3.37Å; E1487-K1496 IonicContact OE2-NZ 3.07Å; E1487-K1496 PolarHBondContact OE2-NZ 3.27Å; T1494-K1496 PolarHBondContact O-N 3.32Å; T1494-K1496 VanDerWaalsContact O-N 3.15Å |
| 1497 | R | 58.9 | Low | 64.8 | Low | 171.6 Ų | 171.6 | 89.7 Ų | 89.7 | 65% | 0.648 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.4 | 167.7 | -90 | -177.5 | 176.4 | 165.3 | -0.2 | 110.1 | F1488 L1495 | F1488-R1497 PolarHBondContact N-O 3.04Å; F1488-R1497 PolarHBondContact O-N 3.14Å; F1488-R1497 VanDerWaalsContact O-N 3.1Å; L1495-R1497 PolarHBondContact O-N 2.87Å |
| 1498 | V | 65 | Low | 66.1 | Low | 62.4 Ų | 62.4 | 86.9 Ų | 86.9 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.1 | 170.8 | -172.9 | 0 | 0 | 0 | 0 | 109 | V1029 L1149 P1485 R1486 E1487 F1500 | V1029-V1498 HydrophobicContact CG1-CG1 4.2Å; L1149-V1498 HydrophobicContact CD1-CG2 4.31Å; L1149-V1498 HydrophobicContact CD2-CG1 4.35Å; L1149-V1498 HydrophobicContact CD2-CG2 3.83Å; P1485-V1498 HydrophobicContact CB-CG1 3.83Å; R1486-V1498 CarbonylContact O-C 3.49Å; R1486-V1498 WeakPolarHBondContact O-CA 3.28Å; E1487-V1498 HydrophobicContact CG-CG2 4.28Å; V1498-F1500 HydrophobicContact CG1-CE1 4.4Å; V1498-F1500 HydrophobicContact CG1-CE2 4.27Å; V1498-F1500 HydrophobicContact CG1-CZ 4.16Å |
| 1499 | T | 68.2 | Low | 67.5 | Low | 63.2 Ų | 63.2 | 86.5 Ų | 86.5 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 156.1 | 170.5 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | P1485 R1486 F1488 | P1485-T1499 CarbonylContact C-O 3.58Å; R1486-T1499 PolarHBondContact N-O 2.96Å; R1486-T1499 PolarHBondContact O-N 3.11Å; R1486-T1499 PolarHBondContact O-OG1 3.18Å; F1488-T1499 HydrophobicContact CB-CG2 4.29Å |
| 1500 | F | 72.2 | Confident | 69 | Low | 87.8 Ų | 87.8 | 85.6 Ų | 85.6 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.9 | 179.3 | -62.5 | -81.2 | 0 | 0 | 0 | 109.3 | V1029 G1030 P1032 T1483 E1484 P1485 V1498 | V1029-F1500 HydrophobicContact CG1-CE1 4.22Å; V1029-F1500 HydrophobicContact CG1-CZ 4.15Å; G1030-F1500 VanDerWaalsContact O-CE1 3.25Å; G1030-F1500 WeakPolarHBondContact O-CE1 3.4Å; P1032-F1500 VanDerWaalsContact CD-CE2 3.42Å; P1032-F1500 VanDerWaalsContact CD-CZ 3.42Å; P1032-F1500 HydrophobicContact CG-CD2 4.34Å; P1032-F1500 HydrophobicContact CG-CE2 3.85Å; P1032-F1500 HydrophobicContact CG-CZ 4.11Å; T1483-F1500 HydrophobicContact CG2-CB 3.87Å; T1483-F1500 HydrophobicContact CG2-CD1 4.32Å; T1483-F1500 HydrophobicContact CG2-CG 4.43Å; E1484-F1500 CarbonylContact O-C 3.52Å; E1484-F1500 WeakPolarHBondContact O-CA 3.3Å; P1485-F1500 HydrophobicContact CB-CD1 4.26Å; P1485-F1500 HydrophobicContact CB-CE1 4Å; V1498-F1500 HydrophobicContact CG1-CE1 4.4Å; V1498-F1500 HydrophobicContact CG1-CE2 4.27Å; V1498-F1500 HydrophobicContact CG1-CZ 4.16Å |
| 1501 | A | 73.7 | Confident | 71 | Confident | 27.8 Ų | 27.8 | 82 Ų | 82 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E1484 R1486 | E1484-A1501 HydrophobicContact CB-CB 4.46Å; E1484-A1501 PolarHBondContact N-O 3.01Å; E1484-A1501 PolarHBondContact O-N 3.16Å; R1486-A1501 HydrophobicContact CG-CB 4.3Å |
| 1502 | E | 76.1 | Confident | 73.1 | Confident | 106.6 Ų | 106.6 | 80.7 Ų | 80.7 | 50% | 0.498 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.4 | 173.4 | -63.5 | -178.3 | -175.5 | 0 | 0 | 110.7 | R1037 V1482 T1483 | R1037-E1502 IonicContact CZ-OE1 3.52Å; R1037-E1502 IonicContact CZ-OE2 2.96Å; R1037-E1502 VanDerWaalsContact CZ-OE2 3.26Å; R1037-E1502 IonicContact NE-OE1 3.1Å; R1037-E1502 PolarHBondContact NE-OE1 2.98Å; R1037-E1502 VanDerWaalsContact NE-OE1 3.14Å; R1037-E1502 IonicContact NE-OE2 2.67Å; R1037-E1502 IonicContact NH1-OE2 3.52Å; R1037-E1502 IonicContact NH2-OE1 3.2Å; R1037-E1502 PolarHBondContact NH2-OE1 3.05Å; R1037-E1502 IonicContact NH2-OE2 3.35Å; R1037-E1502 PolarHBondContact NH2-OE2 3.15Å; V1482-E1502 CarbonylContact O-C 3.53Å; V1482-E1502 WeakPolarHBondContact O-CA 3.22Å; T1483-E1502 HydrophobicContact CG2-CG 3.86Å |
| 1503 | R | 78 | Confident | 74.9 | Confident | 89.2 Ų | 89.2 | 78.3 Ų | 78.3 | 34% | 0.337 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.6 | 171.5 | -67.3 | -175.7 | 172.6 | -161.5 | -7.9 | 109.4 | L1481 V1482 E1484 R1486 P1553 | L1481-R1503 CarbonylContact C-O 3.53Å; L1481-R1503 WeakPolarHBondContact CA-O 3.32Å; V1482-R1503 PolarHBondContact N-O 3Å; V1482-R1503 PolarHBondContact O-N 3.09Å; E1484-R1503 VanDerWaalsContact CD-NH1 3.33Å; E1484-R1503 WeakPolarHBondContact OE1-CD 3.35Å; E1484-R1503 IonicContact OE1-CZ 3.22Å; E1484-R1503 IonicContact OE1-NE 3.6Å; E1484-R1503 IonicContact OE1-NH1 2.75Å; E1484-R1503 PolarHBondContact OE1-NH1 2.86Å; E1484-R1503 IonicContact OE2-CZ 3.15Å; E1484-R1503 IonicContact OE2-NE 3.3Å; E1484-R1503 IonicContact OE2-NH1 2.77Å; E1484-R1503 PolarHBondContact OE2-NH1 3.43Å; E1484-R1503 IonicContact OE2-NH2 2.98Å; R1486-R1503 VanDerWaalsContact NH2-NH2 3.15Å; R1503-P1553 VanDerWaalsContact NH1-CD 3.31Å; R1503-P1553 VanDerWaalsContact NH1-CG 3.31Å |
| 1504 | S | 80.8 | Confident | 77 | Confident | 40.6 Ų | 40.6 | 74.6 Ų | 74.6 | 28% | 0.284 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 141.1 | 168.2 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | L1480 T1507 C1549 | L1480-S1504 WeakPolarHBondContact O-CA 3.22Å; L1480-S1504 PolarHBondContact O-OG 2.67Å; S1504-T1507 WeakPolarHBondContact OG-CG2 2.98Å; S1504-C1549 WeakPolarHBondContact O-CB 3.32Å |
| 1505 | L | 83.9 | Confident | 78.6 | Confident | 25.2 Ų | 25.2 | 72.3 Ų | 72.3 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -41.1 | 171.3 | 176 | 120.1 | 0 | 0 | 0 | 110.7 | L1480 V1482 L1548 C1549 F1550 A1554 L1557 I1558 | L1480-L1505 HydrophobicContact CB-CB 4.39Å; L1480-L1505 HydrophobicContact CB-CD2 4.21Å; L1480-L1505 HydrophobicContact CD1-CD2 4.02Å; L1480-L1505 HydrophobicContact CD2-CB 3.72Å; L1480-L1505 HydrophobicContact CD2-CD2 3.24Å; L1480-L1505 HydrophobicContact CD2-CG 3.83Å; L1480-L1505 WeakPolarHBondContact O-CB 3.26Å; L1480-L1505 PolarHBondContact O-N 3.11Å; V1482-L1505 HydrophobicContact CG2-CB 3.96Å; V1482-L1505 HydrophobicContact CG2-CD1 3.65Å; V1482-L1505 HydrophobicContact CG2-CD2 4.1Å; V1482-L1505 HydrophobicContact CG2-CG 4.45Å; L1505-L1548 WeakPolarHBondContact O-CA 3.31Å; L1505-C1549 WeakPolarHBondContact CD1-O 3.3Å; L1505-C1549 PolarHBondContact O-N 3.14Å; L1505-F1550 HydrophobicContact CD1-CD1 4.23Å; L1505-A1554 HydrophobicContact CB-CB 4.35Å; L1505-A1554 HydrophobicContact CD1-CB 3.62Å; L1505-A1554 VanDerWaalsContact CD1-CB 3.44Å; L1505-A1554 HydrophobicContact CG-CB 3.97Å; L1505-L1557 HydrophobicContact CD1-CD2 4.02Å; L1505-I1558 HydrophobicContact CD1-CD1 4.37Å; L1505-I1558 HydrophobicContact CD1-CG1 4.41Å |
| 1506 | C | 86.9 | Confident | 80.5 | Confident | 15.2 Ų | 15.2 | 67.3 Ų | 67.3 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 136.3 | 176.9 | 176 | 0 | 0 | 0 | 0 | 110.1 | S1479 L1480 T1547 L1548 | S1479-C1506 CarbonylContact C-O 3.5Å; S1479-C1506 WeakPolarHBondContact CA-O 3.31Å; L1480-C1506 HydrophobicContact CB-CB 4.14Å; L1480-C1506 HydrophobicContact CD1-CB 3.96Å; L1480-C1506 HydrophobicContact CG-CB 4.02Å; L1480-C1506 PolarHBondContact N-O 3.14Å; L1480-C1506 PolarHBondContact O-N 2.88Å; C1506-T1547 CarbonylContact C-O 3.41Å; C1506-T1547 VanDerWaalsContact CA-O 3.24Å; C1506-T1547 WeakPolarHBondContact CA-O 3.35Å; C1506-L1548 HydrophobicContact CB-CD2 3.84Å; C1506-L1548 VanDerWaalsContact SG-CD2 3.57Å |
| 1507 | T | 88 | Confident | 81.7 | Confident | 35.8 Ų | 35.8 | 62.9 Ų | 62.9 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.8 | 161.6 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | I1478 S1504 C1546 T1547 | I1478-T1507 CarbonylContact O-C 3.56Å; I1478-T1507 VanDerWaalsContact O-CA 3.28Å; I1478-T1507 WeakPolarHBondContact O-CA 3.34Å; S1504-T1507 WeakPolarHBondContact OG-CG2 2.98Å; T1507-C1546 CarbonylContact O-C 3.53Å; T1507-C1546 WeakPolarHBondContact O-CA 3.4Å; T1507-T1547 PolarHBondContact N-O 3.2Å; T1507-T1547 PolarHBondContact O-N 3.15Å; T1507-T1547 WeakPolarHBondContact OG1-CB 3.33Å; T1507-T1547 PolarHBondContact OG1-OG1 3.15Å |
| 1508 | L | 88.7 | Confident | 82.6 | Confident | 35.2 Ų | 35.2 | 57.1 Ų | 57.1 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.9 | 171.9 | -64.1 | 160.4 | 0 | 0 | 0 | 108.4 | S1477 I1478 L1543 G1545 C1546 | S1477-L1508 CarbonylContact C-O 3.56Å; S1477-L1508 VanDerWaalsContact CA-O 3.3Å; S1477-L1508 WeakPolarHBondContact CA-O 3.36Å; I1478-L1508 HydrophobicContact CB-CB 4.14Å; I1478-L1508 HydrophobicContact CB-CD1 4.23Å; I1478-L1508 HydrophobicContact CB-CG 4.49Å; I1478-L1508 HydrophobicContact CD1-CB 4.46Å; I1478-L1508 HydrophobicContact CD1-CD1 3.89Å; I1478-L1508 HydrophobicContact CG1-CD1 4.47Å; I1478-L1508 HydrophobicContact CG2-CD1 4.45Å; I1478-L1508 PolarHBondContact N-O 3.13Å; I1478-L1508 PolarHBondContact O-N 3.17Å; L1508-L1543 HydrophobicContact CB-CD1 4.32Å; L1508-L1543 HydrophobicContact CD2-CD1 3.97Å; L1508-L1543 HydrophobicContact CD2-CD2 3.85Å; L1508-L1543 HydrophobicContact CD2-CG 4.46Å; L1508-G1545 CarbonylContact C-O 3.51Å; L1508-G1545 WeakPolarHBondContact CA-O 3.24Å; L1508-C1546 HydrophobicContact CD2-CB 3.86Å; L1508-C1546 VanDerWaalsContact CD2-SG 3.55Å |
| 1509 | E | 87.8 | Confident | 82.9 | Confident | 114.8 Ų | 114.8 | 55 Ų | 55 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.4 | 175.8 | -63.5 | -175.2 | -177.8 | 0 | 0 | 109.6 | K1544 G1545 | E1509-K1544 WeakPolarHBondContact O-CB 3.28Å; E1509-K1544 PolarHBondContact O-N 3.1Å; E1509-K1544 VanDerWaalsContact O-N 3.17Å; E1509-G1545 PolarHBondContact N-O 3.05Å; E1509-G1545 PolarHBondContact O-N 3.14Å; E1509-G1545 VanDerWaalsContact O-N 3.16Å |
| 1510 | K | 88.4 | Confident | 82.8 | Confident | 114.2 Ų | 114.2 | 55.4 Ų | 55.4 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 41.5 | 85.8 | 175.2 | -83.2 | -176.4 | 178.3 | -179.5 | 0 | 113.8 | V1475 Q1476 K1544 | V1475-K1510 CarbonylContact O-C 3.58Å; V1475-K1510 VanDerWaalsContact O-CA 3.29Å; V1475-K1510 WeakPolarHBondContact O-CA 3.4Å; Q1476-K1510 HydrophobicContact CB-CG 4.48Å; Q1476-K1510 WeakPolarHBondContact O-CA 3.36Å; Q1476-K1510 WeakPolarHBondContact O-CG 3.35Å; Q1476-K1510 PolarHBondContact O-N 2.94Å; K1510-K1544 HydrophobicContact CB-CB 4.24Å; K1510-K1544 HydrophobicContact CB-CD 3.93Å; K1510-K1544 HydrophobicContact CB-CG 3.91Å; K1510-K1544 HydrophobicContact CD-CD 4.14Å; K1510-K1544 HydrophobicContact CG-CD 4.47Å; K1510-K1544 PolarHBondContact O-N 3.06Å; K1510-K1544 VanDerWaalsContact O-N 3.16Å |
| 1511 | M | 89.7 | Confident | 82.3 | Confident | 46.4 Ų | 46.4 | 54.4 Ų | 54.4 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.5 | 170.2 | -171.6 | -178.4 | -175.7 | 0 | 0 | 110 | T1474 V1475 L1513 I1541 D1542 L1543 | T1474-M1511 CarbonylContact C-O 3.49Å; T1474-M1511 WeakPolarHBondContact CA-O 3.34Å; V1475-M1511 HydrophobicContact CB-CB 4.36Å; V1475-M1511 PolarHBondContact N-O 3.02Å; V1475-M1511 PolarHBondContact O-N 3.1Å; M1511-L1513 HydrophobicContact CE-CB 4.2Å; M1511-L1513 HydrophobicContact CE-CD1 3.73Å; M1511-L1513 VanDerWaalsContact CE-CD1 3.44Å; M1511-L1513 HydrophobicContact CE-CD2 3.96Å; M1511-L1513 HydrophobicContact CE-CG 3.79Å; M1511-L1513 HydrophobicContact CG-CG 4.31Å; M1511-L1513 HydrophobicContact SD-CD1 4.2Å; M1511-L1513 HydrophobicContact SD-CG 4.31Å; M1511-I1541 HydrophobicContact CE-CG2 4.33Å; M1511-D1542 CarbonylContact C-O 3.56Å; M1511-D1542 WeakPolarHBondContact CA-O 3.42Å; M1511-L1543 HydrophobicContact CB-CD1 3.86Å; M1511-L1543 HydrophobicContact CG-CD1 4.22Å |
| 1512 | H | 91.1 | Very high | 81.8 | Confident | 76 Ų | 76 | 54 Ų | 54 | 35% | 0.352 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 112.4 | 168.5 | -177.5 | -61.6 | 0 | 0 | 0 | 108.9 | L1473 T1474 I1541 D1542 | L1473-H1512 CarbonylContact O-C 3.58Å; L1473-H1512 WeakPolarHBondContact O-CA 3.36Å; T1474-H1512 HydrophobicContact CG2-CB 4.29Å; T1474-H1512 VanDerWaalsContact CG2-CD2 3.44Å; T1474-H1512 WeakPolarHBondContact CG2-CD2 3.41Å; H1512-I1541 CarbonylContact O-C 3.51Å; H1512-I1541 WeakPolarHBondContact O-CA 3.41Å; H1512-D1542 HydrophobicContact CB-CB 4.36Å; H1512-D1542 PolarHBondContact N-O 3.16Å; H1512-D1542 PolarHBondContact O-N 3.23Å |
| 1513 | L | 90.9 | Very high | 81.2 | Confident | 46.4 Ų | 46.4 | 52.5 Ų | 52.5 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.8 | 173.3 | -145.9 | 143.1 | 0 | 0 | 0 | 109.1 | A1472 L1473 M1511 L1515 G1540 I1541 | A1472-L1513 CarbonylContact C-O 3.54Å; A1472-L1513 VanDerWaalsContact CA-O 3.3Å; A1472-L1513 WeakPolarHBondContact CA-O 3.36Å; L1473-L1513 HydrophobicContact CB-CB 4.2Å; L1473-L1513 HydrophobicContact CB-CD1 4.45Å; L1473-L1513 HydrophobicContact CB-CD2 3.93Å; L1473-L1513 HydrophobicContact CD2-CB 4.46Å; L1473-L1513 HydrophobicContact CD2-CD1 3.71Å; L1473-L1513 HydrophobicContact CD2-CD2 4.27Å; L1473-L1513 HydrophobicContact CG-CB 4.42Å; L1473-L1513 HydrophobicContact CG-CD1 4.18Å; L1473-L1513 PolarHBondContact N-O 3.01Å; L1473-L1513 PolarHBondContact O-N 3.15Å; M1511-L1513 HydrophobicContact CE-CB 4.2Å; M1511-L1513 HydrophobicContact CE-CD1 3.73Å; M1511-L1513 VanDerWaalsContact CE-CD1 3.44Å; M1511-L1513 HydrophobicContact CE-CD2 3.96Å; M1511-L1513 HydrophobicContact CE-CG 3.79Å; M1511-L1513 HydrophobicContact CG-CG 4.31Å; M1511-L1513 HydrophobicContact SD-CD1 4.2Å; M1511-L1513 HydrophobicContact SD-CG 4.31Å; L1513-L1515 HydrophobicContact CD2-CD1 3.43Å; L1513-L1515 VanDerWaalsContact CD2-CD1 3.43Å; L1513-L1515 HydrophobicContact CG-CD1 4.21Å; L1513-G1540 CarbonylContact C-O 3.53Å; L1513-G1540 VanDerWaalsContact CA-O 3.3Å; L1513-G1540 WeakPolarHBondContact CA-O 3.23Å; L1513-I1541 HydrophobicContact CD1-CD1 4.29Å; L1513-I1541 HydrophobicContact CD1-CG1 4.01Å; L1513-I1541 HydrophobicContact CD2-CB 4.07Å; L1513-I1541 HydrophobicContact CD2-CD1 3.96Å; L1513-I1541 HydrophobicContact CD2-CG1 3.63Å; L1513-I1541 HydrophobicContact CD2-CG2 3.79Å; L1513-I1541 HydrophobicContact CG-CG1 4.35Å |
| 1514 | S | 90 | Very high | 80.3 | Confident | 45.8 Ų | 45.8 | 50.5 Ų | 50.5 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.8 | 170.4 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | A1471 Y1539 G1540 | A1471-S1514 CarbonylContact O-C 3.52Å; A1471-S1514 WeakPolarHBondContact O-CA 3.33Å; S1514-Y1539 CarbonylContact O-C 3.56Å; S1514-Y1539 VanDerWaalsContact O-CA 3.26Å; S1514-Y1539 WeakPolarHBondContact O-CA 3.24Å; S1514-G1540 PolarHBondContact N-O 3.26Å; S1514-G1540 PolarHBondContact O-N 2.98Å; S1514-G1540 WeakPolarHBondContact OG-CA 3.34Å; S1514-G1540 PolarHBondContact OG-N 2.85Å; S1514-G1540 PolarHBondContact OG-O 3.1Å |
| 1515 | L | 89.1 | Confident | 79.5 | Confident | 85.4 Ų | 85.4 | 50.7 Ų | 50.7 | 45% | 0.447 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.2 | 174.3 | -163.8 | 74.2 | 0 | 0 | 0 | 107.7 | N1470 A1471 L1513 R1538 | N1470-L1515 CarbonylContact C-O 3.54Å; N1470-L1515 VanDerWaalsContact CA-O 3.31Å; N1470-L1515 WeakPolarHBondContact CA-O 3.19Å; N1470-L1515 PolarHBondContact OD1-O 3.04Å; A1471-L1515 HydrophobicContact CB-CB 4.39Å; A1471-L1515 PolarHBondContact N-O 3.01Å; A1471-L1515 PolarHBondContact O-N 3.01Å; L1513-L1515 HydrophobicContact CD2-CD1 3.43Å; L1513-L1515 VanDerWaalsContact CD2-CD1 3.43Å; L1513-L1515 HydrophobicContact CG-CD1 4.21Å; L1515-R1538 CarbonylContact C-O 3.56Å; L1515-R1538 WeakPolarHBondContact CA-O 3.33Å |
| 1516 | S | 86.2 | Confident | 78.1 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.5 | 174.1 | 55.6 | 0 | 0 | 0 | 0 | 110 | V1469 N1470 W1518 F1537 R1538 | V1469-S1516 CarbonylContact O-C 3.55Å; V1469-S1516 VanDerWaalsContact O-CA 3.27Å; V1469-S1516 WeakPolarHBondContact O-CA 3.42Å; N1470-S1516 WeakPolarHBondContact OD1-CB 3.32Å; S1516-W1518 VanDerWaalsContact CB-NE1 3.26Å; S1516-W1518 VanDerWaalsContact OG-CH2 3.28Å; S1516-W1518 WeakPolarHBondContact OG-CH2 3.42Å; S1516-W1518 WeakPolarHBondContact OG-CZ2 3.48Å; S1516-W1518 VanDerWaalsContact OG-CZ3 3.26Å; S1516-W1518 WeakPolarHBondContact OG-CZ3 3.31Å; S1516-W1518 PolarHBondContact OG-NE1 3.3Å; S1516-F1537 CarbonylContact O-C 3.52Å; S1516-F1537 VanDerWaalsContact O-CA 3.31Å; S1516-F1537 WeakPolarHBondContact O-CA 3.3Å; S1516-R1538 PolarHBondContact N-O 2.95Å; S1516-R1538 PolarHBondContact O-N 3.05Å; S1516-R1538 VanDerWaalsContact OG-CB 3.29Å; S1516-R1538 WeakPolarHBondContact OG-CB 3.39Å; S1516-R1538 PolarHBondContact OG-O 3.13Å |
| 1517 | A | 82.6 | Confident | 76.7 | Confident | 14.8 Ų | 14.8 | 58.7 Ų | 58.7 | 12% | 0.122 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 125.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y1465 G1468 V1469 Q1536 F1537 | Y1465-A1517 HydrophobicContact CD1-CB 4.23Å; Y1465-A1517 HydrophobicContact CE1-CB 4.17Å; G1468-A1517 CarbonylContact C-O 3.5Å; G1468-A1517 VanDerWaalsContact CA-O 3.28Å; G1468-A1517 WeakPolarHBondContact CA-O 3.26Å; V1469-A1517 HydrophobicContact CB-CB 4.41Å; V1469-A1517 PolarHBondContact N-O 3.03Å; V1469-A1517 VanDerWaalsContact N-O 3.07Å; V1469-A1517 PolarHBondContact O-N 3Å; A1517-Q1536 WeakPolarHBondContact CA-O 3.39Å; A1517-F1537 HydrophobicContact CB-CD1 3.55Å; A1517-F1537 VanDerWaalsContact CB-CD1 3.49Å; A1517-F1537 HydrophobicContact CB-CE1 3.7Å; A1517-F1537 HydrophobicContact CB-CG 4.41Å |
| 1518 | W | 77.6 | Confident | 75.3 | Confident | 50.2 Ų | 50.2 | 62.8 Ų | 62.8 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.5 | -178.7 | 29.9 | 90 | 0 | 0 | 0 | 111.2 | F1128 Y1465 N1470 S1516 N1520 Q1536 R1538 | F1128-W1518 HydrophobicContact CE1-CE3 4.23Å; F1128-W1518 HydrophobicContact CE1-CZ3 4.25Å; F1128-W1518 HydrophobicContact CZ-CZ3 4.31Å; Y1465-W1518 CarbonylContact O-C 3.57Å; Y1465-W1518 WeakPolarHBondContact O-CA 3.34Å; Y1465-W1518 WeakPolarHBondContact O-CB 3.4Å; N1470-W1518 WeakPolarHBondContact ND2-CH2 3.39Å; N1470-W1518 WeakPolarHBondContact OD1-CH2 3.33Å; N1470-W1518 WeakPolarHBondContact OD1-CZ2 3.41Å; N1470-W1518 WeakPolarHBondContact OD1-CZ3 3.36Å; S1516-W1518 VanDerWaalsContact CB-NE1 3.26Å; S1516-W1518 VanDerWaalsContact OG-CH2 3.28Å; S1516-W1518 WeakPolarHBondContact OG-CH2 3.42Å; S1516-W1518 WeakPolarHBondContact OG-CZ2 3.48Å; S1516-W1518 VanDerWaalsContact OG-CZ3 3.26Å; S1516-W1518 WeakPolarHBondContact OG-CZ3 3.31Å; S1516-W1518 PolarHBondContact OG-NE1 3.3Å; W1518-N1520 PolarHBondContact NE1-OD1 3.25Å; W1518-Q1536 HydrophobicContact CB-CB 4.36Å; W1518-Q1536 VanDerWaalsContact CD1-CB 3.45Å; W1518-Q1536 HydrophobicContact CD2-CB 4.15Å; W1518-Q1536 VanDerWaalsContact CE2-CB 3.41Å; W1518-Q1536 HydrophobicContact CG-CB 4.45Å; W1518-Q1536 HydrophobicContact CH2-CB 3.94Å; W1518-Q1536 HydrophobicContact CZ2-CB 3.65Å; W1518-Q1536 HydrophobicContact CZ2-CG 4.19Å; W1518-Q1536 VanDerWaalsContact CZ2-OE1 3.31Å; W1518-Q1536 PolarHBondContact N-O 3.07Å; W1518-Q1536 PolarHBondContact O-N 3.09Å; W1518-R1538 HydrophobicContact CH2-CB 4.01Å; W1518-R1538 HydrophobicContact CH2-CG 3.82Å; W1518-R1538 VanDerWaalsContact CH2-NE 3.29Å; W1518-R1538 HydrophobicContact CZ2-CB 4.37Å; W1518-R1538 HydrophobicContact CZ2-CG 3.67Å; W1518-R1538 VanDerWaalsContact CZ2-CZ 3.41Å; W1518-R1538 HydrophobicContact CZ3-CB 3.99Å; W1518-R1538 HydrophobicContact CZ3-CG 4.32Å |
| 1519 | T | 71.5 | Confident | 74.1 | Confident | 16.6 Ų | 16.6 | 65.7 Ų | 65.7 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 112 | 171.6 | 46 | 0 | 0 | 0 | 0 | 109 | M1457 F1461 T1464 Y1465 E1466 V1533 D1534 R1535 | M1457-T1519 HydrophobicContact CE-CG2 4.15Å; F1461-T1519 HydrophobicContact CD1-CG2 4.34Å; F1461-T1519 PolarHBondContact O-OG1 3.05Å; F1461-T1519 VanDerWaalsContact O-OG1 3.07Å; T1464-T1519 WeakPolarHBondContact CB-OG1 3.47Å; T1464-T1519 PolarHBondContact O-N 3.01Å; T1464-T1519 PolarHBondContact O-OG1 3.01Å; T1464-T1519 VanDerWaalsContact O-OG1 3.07Å; T1464-T1519 VanDerWaalsContact OG1-CG2 3.22Å; T1464-T1519 WeakPolarHBondContact OG1-CG2 3.47Å; T1464-T1519 PolarHBondContact OG1-OG1 2.89Å; Y1465-T1519 WeakPolarHBondContact CA-OG1 3.42Å; Y1465-T1519 WeakPolarHBondContact CB-OG1 3.44Å; Y1465-T1519 WeakPolarHBondContact CD2-O 3.44Å; Y1465-T1519 PolarHBondContact N-OG1 3.46Å; Y1465-T1519 VanDerWaalsContact N-OG1 3.14Å; Y1465-T1519 PolarHBondContact O-N 2.93Å; Y1465-T1519 PolarHBondContact O-OG1 2.84Å; E1466-T1519 WeakPolarHBondContact CA-O 3.48Å; E1466-T1519 WeakPolarHBondContact CA-OG1 3.48Å; E1466-T1519 WeakPolarHBondContact CG-OG1 3.37Å; E1466-T1519 PolarHBondContact N-OG1 3.02Å; T1519-V1533 HydrophobicContact CG2-CG1 4.04Å; T1519-D1534 CarbonylContact C-O 3.56Å; T1519-D1534 WeakPolarHBondContact CA-O 3.44Å; T1519-R1535 HydrophobicContact CG2-CB 4.43Å; T1519-R1535 HydrophobicContact CG2-CG 3.94Å |
| 1520 | N | 64.8 | Low | 73 | Confident | 71.4 Ų | 71.4 | 64 Ų | 64 | 38% | 0.382 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -44.8 | -172.1 | -95.5 | 1.3 | 0 | 0 | 0 | 111.7 | S1118 W1518 D1534 Q1536 | S1118-N1520 PolarHBondContact OG-O 2.92Å; S1118-N1520 VanDerWaalsContact OG-O 3.06Å; W1518-N1520 PolarHBondContact NE1-OD1 3.25Å; N1520-D1534 HydrophobicContact CB-CB 4.39Å; N1520-D1534 PolarHBondContact N-O 3.04Å; N1520-Q1536 HydrophobicContact CB-CG 4.35Å; N1520-Q1536 VanDerWaalsContact ND2-CD 3.31Å; N1520-Q1536 WeakPolarHBondContact ND2-CG 3.3Å; N1520-Q1536 PolarHBondContact ND2-NE2 2.68Å; N1520-Q1536 PolarHBondContact ND2-OE1 3.18Å; N1520-Q1536 VanDerWaalsContact ND2-OE1 3.14Å |
| 1521 | T | 63.4 | Low | 71.9 | Confident | 66.8 Ų | 66.8 | 58.8 Ų | 58.8 | 41% | 0.41 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.3 | 176.2 | 59.2 | 0 | 0 | 0 | 0 | 112 | R1116 V1117 K1523 D1534 | R1116-T1521 WeakPolarHBondContact O-CA 3.43Å; V1117-T1521 HydrophobicContact CG2-CG2 3.86Å; T1521-K1523 PolarHBondContact O-N 3.49Å; T1521-D1534 PolarHBondContact O-N 3.18Å; T1521-D1534 VanDerWaalsContact O-N 3.11Å |
| 1522 | S | 62.7 | Low | 71 | Confident | 19.6 Ų | 19.6 | 58.1 Ų | 58.1 | 14% | 0.137 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.2 | 164.4 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | L1114 R1116 F1461 W1524 T1532 | L1114-S1522 VanDerWaalsContact O-O 3.13Å; R1116-S1522 PolarHBondContact N-O 3Å; R1116-S1522 PolarHBondContact O-N 3.47Å; F1461-S1522 VanDerWaalsContact CZ-CB 3.47Å; S1522-W1524 PolarHBondContact O-N 2.94Å; S1522-T1532 CarbonylContact C-O 3.51Å; S1522-T1532 VanDerWaalsContact CA-O 3.31Å; S1522-T1532 WeakPolarHBondContact CA-O 3.35Å; S1522-T1532 WeakPolarHBondContact CB-O 3.5Å |
| 1523 | K | 62.4 | Low | 70 | Confident | 76.2 Ų | 76.2 | 54.8 Ų | 54.8 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.8 | 177.1 | -110.1 | -175 | 179.5 | -165.7 | 0 | 108.6 | S1113 E1115 T1521 E1525 L1531 T1532 | S1113-K1523 VanDerWaalsContact OG-CE 3.27Å; S1113-K1523 WeakPolarHBondContact OG-CE 3.34Å; S1113-K1523 PolarHBondContact OG-NZ 3.16Å; E1115-K1523 VanDerWaalsContact CD-CE 3.44Å; E1115-K1523 HydrophobicContact CG-CD 4.24Å; E1115-K1523 HydrophobicContact CG-CG 3.91Å; E1115-K1523 VanDerWaalsContact OE1-CE 3.24Å; E1115-K1523 WeakPolarHBondContact OE1-CE 3.21Å; E1115-K1523 IonicContact OE1-NZ 3.13Å; E1115-K1523 PolarHBondContact OE1-NZ 3.04Å; T1521-K1523 PolarHBondContact O-N 3.49Å; K1523-E1525 HydrophobicContact CD-CG 4.13Å; K1523-E1525 VanDerWaalsContact CE-OE1 3.32Å; K1523-E1525 WeakPolarHBondContact CE-OE1 3.4Å; K1523-E1525 HydrophobicContact CG-CG 4.24Å; K1523-E1525 IonicContact NZ-OE1 3.42Å; K1523-E1525 PolarHBondContact NZ-OE1 2.76Å; K1523-E1525 PolarHBondContact O-N 3.27Å; K1523-L1531 WeakPolarHBondContact O-CA 3.32Å; K1523-L1531 WeakPolarHBondContact O-CD1 3.14Å; K1523-T1532 WeakPolarHBondContact CB-OG1 3.32Å; K1523-T1532 PolarHBondContact N-O 2.84Å; K1523-T1532 VanDerWaalsContact N-O 3.13Å; K1523-T1532 PolarHBondContact O-N 3.18Å; K1523-T1532 PolarHBondContact O-OG1 3.5Å |
| 1524 | W | 59.8 | Low | 69.3 | Low | 46.4 Ų | 46.4 | 54.4 Ų | 54.4 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 109.8 | 172.2 | -84.5 | 79.8 | 0 | 0 | 0 | 109.4 | L1089 L1114 V1455 P1456 F1461 S1522 L1526 L1531 F1637 Y1646 | L1089-W1524 HydrophobicContact CD2-CD2 3.9Å; L1089-W1524 HydrophobicContact CD2-CG 3.94Å; L1089-W1524 HydrophobicContact CD2-CZ2 4.15Å; L1114-W1524 HydrophobicContact CB-CB 3.97Å; L1114-W1524 WeakPolarHBondContact CB-O 3.37Å; L1114-W1524 HydrophobicContact CD1-CB 4.17Å; L1114-W1524 PolarHBondContact N-O 3.43Å; L1114-W1524 PolarHBondContact O-N 3.34Å; V1455-W1524 HydrophobicContact CG2-CZ2 3.71Å; P1456-W1524 HydrophobicContact CB-CH2 4.08Å; P1456-W1524 HydrophobicContact CB-CZ2 4.14Å; P1456-W1524 HydrophobicContact CG-CH2 4.17Å; P1456-W1524 HydrophobicContact CG-CZ2 4.19Å; F1461-W1524 HydrophobicContact CE2-CZ2 4.5Å; S1522-W1524 PolarHBondContact O-N 2.94Å; W1524-L1526 VanDerWaalsContact C-N 3.34Å; W1524-L1526 HydrophobicContact CB-CD1 4.23Å; W1524-L1526 HydrophobicContact CE3-CB 4.05Å; W1524-L1526 HydrophobicContact CE3-CD1 4.14Å; W1524-L1526 HydrophobicContact CE3-CG 3.97Å; W1524-L1526 HydrophobicContact CZ3-CB 4.5Å; W1524-L1526 HydrophobicContact CZ3-CD1 4.02Å; W1524-L1526 HydrophobicContact CZ3-CG 3.96Å; W1524-L1526 PolarHBondContact O-N 3.45Å; W1524-L1531 VanDerWaalsContact CD1-CD1 3.44Å; W1524-L1531 HydrophobicContact CD2-CB 4.37Å; W1524-L1531 HydrophobicContact CD2-CD1 3.98Å; W1524-L1531 VanDerWaalsContact CE2-CD1 3.46Å; W1524-L1531 HydrophobicContact CE3-CB 4.27Å; W1524-L1531 HydrophobicContact CG-CD1 4.05Å; W1524-L1531 HydrophobicContact CH2-CB 4.5Å; W1524-L1531 HydrophobicContact CH2-CD2 4.05Å; W1524-L1531 HydrophobicContact CZ2-CD1 4.22Å; W1524-L1531 HydrophobicContact CZ2-CD2 3.8Å; W1524-L1531 HydrophobicContact CZ2-CG 4.42Å; W1524-L1531 HydrophobicContact CZ3-CB 4.33Å; W1524-L1531 VanDerWaalsContact NE1-CD1 3.28Å; W1524-F1637 AromaticContact CH2-CE1 3.79Å; W1524-F1637 HydrophobicContact CH2-CE1 3.79Å; W1524-F1637 HydrophobicContact CH2-CZ 4.19Å; W1524-F1637 HydrophobicContact CZ3-CE1 4.16Å; W1524-F1637 HydrophobicContact CZ3-CZ 4.45Å; W1524-Y1646 AromaticContact CH2-CD1 3.99Å; W1524-Y1646 HydrophobicContact CH2-CD1 3.99Å; W1524-Y1646 AromaticContact CH2-CE1 3.87Å; W1524-Y1646 HydrophobicContact CH2-CE1 3.87Å; W1524-Y1646 HydrophobicContact CH2-CE2 4.44Å; W1524-Y1646 HydrophobicContact CH2-CG 4.35Å; W1524-Y1646 AromaticContact CZ3-CD1 3.97Å; W1524-Y1646 HydrophobicContact CZ3-CD1 3.97Å; W1524-Y1646 AromaticContact CZ3-CE1 3.63Å; W1524-Y1646 HydrophobicContact CZ3-CE1 3.63Å |
| 1525 | E | 63.3 | Low | 68.7 | Low | 44.8 Ų | 44.8 | 55.6 Ų | 55.6 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 82.6 | 172.4 | -67.4 | -175.5 | -171.8 | 0 | 0 | 108.9 | K1523 H1527 Q1528 K1529 R1530 | K1523-E1525 HydrophobicContact CD-CG 4.13Å; K1523-E1525 VanDerWaalsContact CE-OE1 3.32Å; K1523-E1525 WeakPolarHBondContact CE-OE1 3.4Å; K1523-E1525 HydrophobicContact CG-CG 4.24Å; K1523-E1525 IonicContact NZ-OE1 3.42Å; K1523-E1525 PolarHBondContact NZ-OE1 2.76Å; K1523-E1525 PolarHBondContact O-N 3.27Å; E1525-H1527 VanDerWaalsContact C-N 3.27Å; E1525-H1527 PolarHBondContact O-N 2.98Å; E1525-H1527 VanDerWaalsContact O-N 3.14Å; E1525-Q1528 HydrophobicContact CB-CB 4.22Å; E1525-Q1528 HydrophobicContact CB-CG 4.33Å; E1525-Q1528 CarbonylContact O-C 3.55Å; E1525-Q1528 WeakPolarHBondContact O-CA 3.41Å; E1525-Q1528 PolarHBondContact O-N 2.95Å; E1525-Q1528 VanDerWaalsContact O-N 3.12Å; E1525-Q1528 PolarHBondContact OE1-NE2 2.61Å; E1525-Q1528 VanDerWaalsContact OE2-CD 3.31Å; E1525-Q1528 WeakPolarHBondContact OE2-CG 3.21Å; E1525-Q1528 PolarHBondContact OE2-NE2 3.13Å; E1525-Q1528 PolarHBondContact OE2-OE1 3Å; E1525-Q1528 VanDerWaalsContact OE2-OE1 3.12Å; E1525-K1529 WeakPolarHBondContact O-CA 3.33Å; E1525-K1529 PolarHBondContact O-N 2.98Å; E1525-K1529 VanDerWaalsContact O-N 3.1Å; E1525-R1530 WeakPolarHBondContact CA-O 3.49Å; E1525-R1530 HydrophobicContact CB-CB 4.43Å; E1525-R1530 PolarHBondContact N-O 3.09Å; E1525-R1530 PolarHBondContact O-N 3.17Å; E1525-R1530 VanDerWaalsContact O-N 3.14Å |
| 1526 | L | 55.8 | Low | 68.3 | Low | 51.2 Ų | 51.2 | 53 Ų | 53 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.1 | -174.5 | -110 | 123.9 | 0 | 0 | 0 | 113.1 | L1089 E1093 L1114 W1524 Q1528 K1529 | L1089-L1526 HydrophobicContact CD2-CD1 3.8Å; L1089-L1526 HydrophobicContact CD2-CD2 3.53Å; L1089-L1526 HydrophobicContact CD2-CG 4.09Å; E1093-L1526 HydrophobicContact CG-CD2 3.52Å; L1114-L1526 HydrophobicContact CD1-CD1 4.04Å; W1524-L1526 VanDerWaalsContact C-N 3.34Å; W1524-L1526 HydrophobicContact CB-CD1 4.23Å; W1524-L1526 HydrophobicContact CE3-CB 4.05Å; W1524-L1526 HydrophobicContact CE3-CD1 4.14Å; W1524-L1526 HydrophobicContact CE3-CG 3.97Å; W1524-L1526 HydrophobicContact CZ3-CB 4.5Å; W1524-L1526 HydrophobicContact CZ3-CD1 4.02Å; W1524-L1526 HydrophobicContact CZ3-CG 3.96Å; W1524-L1526 PolarHBondContact O-N 3.45Å; L1526-Q1528 PolarHBondContact O-N 3.1Å; L1526-K1529 VanDerWaalsContact O-CG 3.31Å; L1526-K1529 WeakPolarHBondContact O-CG 3.39Å; L1526-K1529 PolarHBondContact O-N 3.01Å; L1526-K1529 VanDerWaalsContact O-N 3.11Å |
| 1527 | H | 56 | Low | 68.3 | Low | 156.8 Ų | 156.8 | 55.1 Ų | 55.1 | 73% | 0.726 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -36.9 | 176.3 | -65.4 | -65.2 | 0 | 0 | 0 | 113.5 | E1525 K1529 | E1525-H1527 VanDerWaalsContact C-N 3.27Å; E1525-H1527 PolarHBondContact O-N 2.98Å; E1525-H1527 VanDerWaalsContact O-N 3.14Å; H1527-K1529 VanDerWaalsContact C-N 3.31Å |
| 1528 | Q | 60.4 | Low | 68.6 | Low | 122 Ų | 122 | 59.9 Ų | 59.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.5 | 175 | -59.8 | -162.7 | 37.5 | 0 | 0 | 112.4 | E1525 L1526 R1530 | E1525-Q1528 HydrophobicContact CB-CB 4.22Å; E1525-Q1528 HydrophobicContact CB-CG 4.33Å; E1525-Q1528 CarbonylContact O-C 3.55Å; E1525-Q1528 WeakPolarHBondContact O-CA 3.41Å; E1525-Q1528 PolarHBondContact O-N 2.95Å; E1525-Q1528 VanDerWaalsContact O-N 3.12Å; E1525-Q1528 PolarHBondContact OE1-NE2 2.61Å; E1525-Q1528 VanDerWaalsContact OE2-CD 3.31Å; E1525-Q1528 WeakPolarHBondContact OE2-CG 3.21Å; E1525-Q1528 PolarHBondContact OE2-NE2 3.13Å; E1525-Q1528 PolarHBondContact OE2-OE1 3Å; E1525-Q1528 VanDerWaalsContact OE2-OE1 3.12Å; L1526-Q1528 PolarHBondContact O-N 3.1Å; Q1528-R1530 VanDerWaalsContact C-N 3.28Å; Q1528-R1530 HydrophobicContact CB-CB 4Å; Q1528-R1530 PolarHBondContact O-N 3.06Å |
| 1529 | K | 63 | Low | 69.2 | Low | 97 Ų | 97 | 60.8 Ų | 60.8 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 39.5 | -167.5 | -55.4 | 173.4 | 164.4 | -171.6 | 0 | 111.4 | E1525 L1526 H1527 L1645 Y1646 E1647 | E1525-K1529 WeakPolarHBondContact O-CA 3.33Å; E1525-K1529 PolarHBondContact O-N 2.98Å; E1525-K1529 VanDerWaalsContact O-N 3.1Å; L1526-K1529 VanDerWaalsContact O-CG 3.31Å; L1526-K1529 WeakPolarHBondContact O-CG 3.39Å; L1526-K1529 PolarHBondContact O-N 3.01Å; L1526-K1529 VanDerWaalsContact O-N 3.11Å; H1527-K1529 VanDerWaalsContact C-N 3.31Å; K1529-L1645 WeakPolarHBondContact CB-O 3.26Å; K1529-L1645 WeakPolarHBondContact CD-O 3.27Å; K1529-L1645 WeakPolarHBondContact CG-O 3.37Å; K1529-Y1646 HydrophobicContact CB-CD1 4.12Å; K1529-Y1646 HydrophobicContact CB-CE1 4.34Å; K1529-Y1646 HydrophobicContact CG-CD1 4.3Å; K1529-Y1646 HydrophobicContact CG-CE1 4.28Å; K1529-Y1646 CarbonylContact O-C 3.53Å; K1529-Y1646 VanDerWaalsContact O-CA 3.24Å; K1529-Y1646 WeakPolarHBondContact O-CA 3.44Å; K1529-Y1646 VanDerWaalsContact O-CB 3.22Å; K1529-Y1646 WeakPolarHBondContact O-CB 3.26Å; K1529-E1647 PolarHBondContact O-N 3.02Å |
| 1530 | R | 63.6 | Low | 70.1 | Confident | 79.6 Ų | 79.6 | 60.8 Ų | 60.8 | 30% | 0.3 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.8 | -175.3 | -176.7 | 175.5 | -150.5 | 144.6 | -12.5 | 110.3 | E1525 Q1528 T1532 E1647 V1649 | E1525-R1530 WeakPolarHBondContact CA-O 3.49Å; E1525-R1530 HydrophobicContact CB-CB 4.43Å; E1525-R1530 PolarHBondContact N-O 3.09Å; E1525-R1530 PolarHBondContact O-N 3.17Å; E1525-R1530 VanDerWaalsContact O-N 3.14Å; Q1528-R1530 VanDerWaalsContact C-N 3.28Å; Q1528-R1530 HydrophobicContact CB-CB 4Å; Q1528-R1530 PolarHBondContact O-N 3.06Å; R1530-T1532 HydrophobicContact CG-CG2 4.29Å; R1530-E1647 CarbonylContact C-O 3.55Å; R1530-E1647 WeakPolarHBondContact CA-O 3.33Å; R1530-E1647 HydrophobicContact CB-CB 4.46Å; R1530-E1647 VanDerWaalsContact CD-OE2 3.29Å; R1530-E1647 WeakPolarHBondContact CD-OE2 3.32Å; R1530-E1647 HydrophobicContact CG-CB 4.37Å; R1530-E1647 WeakPolarHBondContact CG-OE2 3.38Å; R1530-E1647 IonicContact CZ-OE2 3.5Å; R1530-E1647 VanDerWaalsContact CZ-OE2 3.22Å; R1530-E1647 IonicContact NE-OE2 3.17Å; R1530-E1647 PolarHBondContact NE-OE2 3.31Å; R1530-E1647 IonicContact NH1-OE1 2.69Å; R1530-E1647 PolarHBondContact NH1-OE1 2.99Å; R1530-E1647 VanDerWaalsContact NH1-OE1 3.15Å; R1530-E1647 IonicContact NH1-OE2 2.84Å; R1530-E1647 PolarHBondContact NH1-OE2 3.39Å; R1530-E1647 IonicContact NH2-OE1 3.14Å; R1530-E1647 PolarHBondContact NH2-OE1 3.17Å; R1530-E1647 IonicContact NH2-OE2 3.13Å; R1530-E1647 PolarHBondContact NH2-OE2 3.44Å; R1530-V1649 HydrophobicContact CG-CG2 4.1Å |
| 1531 | L | 67.1 | Low | 71.4 | Confident | 3.6 Ų | 3.6 | 59.6 Ų | 59.6 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.8 | 171.4 | 169.5 | 56.9 | 0 | 0 | 0 | 108.1 | P1456 M1457 K1523 W1524 V1533 E1647 V1648 V1649 | P1456-L1531 HydrophobicContact CB-CD2 3.86Å; P1456-L1531 VanDerWaalsContact CB-CD2 3.47Å; P1456-L1531 HydrophobicContact CG-CD2 4.09Å; M1457-L1531 HydrophobicContact CG-CD2 4.14Å; K1523-L1531 WeakPolarHBondContact O-CA 3.32Å; K1523-L1531 WeakPolarHBondContact O-CD1 3.14Å; W1524-L1531 VanDerWaalsContact CD1-CD1 3.44Å; W1524-L1531 HydrophobicContact CD2-CB 4.37Å; W1524-L1531 HydrophobicContact CD2-CD1 3.98Å; W1524-L1531 VanDerWaalsContact CE2-CD1 3.46Å; W1524-L1531 HydrophobicContact CE3-CB 4.27Å; W1524-L1531 HydrophobicContact CG-CD1 4.05Å; W1524-L1531 HydrophobicContact CH2-CB 4.5Å; W1524-L1531 HydrophobicContact CH2-CD2 4.05Å; W1524-L1531 HydrophobicContact CZ2-CD1 4.22Å; W1524-L1531 HydrophobicContact CZ2-CD2 3.8Å; W1524-L1531 HydrophobicContact CZ2-CG 4.42Å; W1524-L1531 HydrophobicContact CZ3-CB 4.33Å; W1524-L1531 VanDerWaalsContact NE1-CD1 3.28Å; L1531-V1533 HydrophobicContact CD1-CG2 4.1Å; L1531-V1533 HydrophobicContact CD2-CG2 4.24Å; L1531-V1533 HydrophobicContact CG-CG2 3.93Å; L1531-E1647 PolarHBondContact N-O 3.1Å; L1531-V1648 HydrophobicContact CB-CG2 4.37Å; L1531-V1648 HydrophobicContact CD2-CG1 4.15Å; L1531-V1648 HydrophobicContact CD2-CG2 4.23Å; L1531-V1648 HydrophobicContact CG-CG1 4.31Å; L1531-V1648 CarbonylContact O-C 3.54Å; L1531-V1648 WeakPolarHBondContact O-CA 3.44Å; L1531-V1649 PolarHBondContact O-N 3.04Å |
| 1532 | T | 68.8 | Low | 72.8 | Confident | 33.4 Ų | 33.4 | 59.4 Ų | 59.4 | 21% | 0.205 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.8 | 168.9 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | S1522 K1523 R1530 V1649 | S1522-T1532 CarbonylContact C-O 3.51Å; S1522-T1532 VanDerWaalsContact CA-O 3.31Å; S1522-T1532 WeakPolarHBondContact CA-O 3.35Å; S1522-T1532 WeakPolarHBondContact CB-O 3.5Å; K1523-T1532 WeakPolarHBondContact CB-OG1 3.32Å; K1523-T1532 PolarHBondContact N-O 2.84Å; K1523-T1532 VanDerWaalsContact N-O 3.13Å; K1523-T1532 PolarHBondContact O-N 3.18Å; K1523-T1532 PolarHBondContact O-OG1 3.5Å; R1530-T1532 HydrophobicContact CG-CG2 4.29Å; T1532-V1649 CarbonylContact C-O 3.49Å; T1532-V1649 VanDerWaalsContact CA-O 3.31Å; T1532-V1649 WeakPolarHBondContact CA-O 3.39Å; T1532-V1649 HydrophobicContact CG2-CB 4.29Å |
| 1533 | V | 71.5 | Confident | 74.1 | Confident | 6.4 Ų | 6.4 | 59.1 Ų | 59.1 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.1 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | M1457 F1461 T1519 L1531 R1535 V1648 V1649 K1651 | M1457-V1533 HydrophobicContact CE-CB 4.4Å; M1457-V1533 HydrophobicContact CE-CG1 3.74Å; M1457-V1533 HydrophobicContact CE-CG2 3.76Å; M1457-V1533 HydrophobicContact SD-CG1 3.99Å; M1457-V1533 HydrophobicContact SD-CG2 4.14Å; F1461-V1533 HydrophobicContact CD1-CG1 3.77Å; F1461-V1533 HydrophobicContact CE1-CG1 3.69Å; F1461-V1533 HydrophobicContact CZ-CG1 4.49Å; F1461-V1533 HydrophobicContact CZ-CG2 4.25Å; T1519-V1533 HydrophobicContact CG2-CG1 4.04Å; L1531-V1533 HydrophobicContact CD1-CG2 4.1Å; L1531-V1533 HydrophobicContact CD2-CG2 4.24Å; L1531-V1533 HydrophobicContact CG-CG2 3.93Å; V1533-R1535 HydrophobicContact CG1-CG 4.26Å; V1533-V1648 HydrophobicContact CG2-CG1 4.46Å; V1533-V1649 PolarHBondContact N-O 3.2Å; V1533-K1651 PolarHBondContact O-N 3.19Å |
| 1534 | D | 75.4 | Confident | 75.5 | Confident | 36.4 Ų | 36.4 | 60.7 Ų | 60.7 | 20% | 0.195 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.8 | 178.9 | -109.6 | 12.4 | 0 | 0 | 0 | 110 | T1519 N1520 T1521 K1651 | T1519-D1534 CarbonylContact C-O 3.56Å; T1519-D1534 WeakPolarHBondContact CA-O 3.44Å; N1520-D1534 HydrophobicContact CB-CB 4.39Å; N1520-D1534 PolarHBondContact N-O 3.04Å; T1521-D1534 PolarHBondContact O-N 3.18Å; T1521-D1534 VanDerWaalsContact O-N 3.11Å; D1534-K1651 WeakPolarHBondContact OD1-CB 3.4Å; D1534-K1651 WeakPolarHBondContact OD1-CD 3.34Å; D1534-K1651 WeakPolarHBondContact OD1-CG 3.35Å; D1534-K1651 IonicContact OD1-NZ 2.7Å; D1534-K1651 PolarHBondContact OD1-NZ 3.23Å; D1534-K1651 WeakPolarHBondContact OD2-CD 3.22Å; D1534-K1651 IonicContact OD2-NZ 2.95Å; D1534-K1651 PolarHBondContact OD2-NZ 3.22Å |
| 1535 | R | 76.9 | Confident | 76.9 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129 | 176.4 | -58.1 | -157.7 | 175.6 | 165.8 | -0.1 | 110.3 | T1519 V1533 F1537 Q1650 K1651 V1652 D1653 | T1519-R1535 HydrophobicContact CG2-CB 4.43Å; T1519-R1535 HydrophobicContact CG2-CG 3.94Å; V1533-R1535 HydrophobicContact CG1-CG 4.26Å; R1535-F1537 HydrophobicContact CB-CD2 4.43Å; R1535-F1537 HydrophobicContact CB-CE2 3.79Å; R1535-F1537 HydrophobicContact CB-CZ 4.44Å; R1535-F1537 HydrophobicContact CG-CE2 4.43Å; R1535-Q1650 HydrophobicContact CG-CG 4.23Å; R1535-Q1650 VanDerWaalsContact CZ-OE1 3.25Å; R1535-K1651 PolarHBondContact N-O 3.05Å; R1535-V1652 WeakPolarHBondContact O-CA 3.35Å; R1535-D1653 PolarHBondContact O-N 3.1Å |
| 1536 | Q | 81.7 | Confident | 78.2 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.6 | 172.6 | -86.1 | -171.1 | -12.5 | 0 | 0 | 110.5 | A1517 W1518 N1520 R1538 D1653 | A1517-Q1536 WeakPolarHBondContact CA-O 3.39Å; W1518-Q1536 HydrophobicContact CB-CB 4.36Å; W1518-Q1536 VanDerWaalsContact CD1-CB 3.45Å; W1518-Q1536 HydrophobicContact CD2-CB 4.15Å; W1518-Q1536 VanDerWaalsContact CE2-CB 3.41Å; W1518-Q1536 HydrophobicContact CG-CB 4.45Å; W1518-Q1536 HydrophobicContact CH2-CB 3.94Å; W1518-Q1536 HydrophobicContact CZ2-CB 3.65Å; W1518-Q1536 HydrophobicContact CZ2-CG 4.19Å; W1518-Q1536 VanDerWaalsContact CZ2-OE1 3.31Å; W1518-Q1536 PolarHBondContact N-O 3.07Å; W1518-Q1536 PolarHBondContact O-N 3.09Å; N1520-Q1536 HydrophobicContact CB-CG 4.35Å; N1520-Q1536 VanDerWaalsContact ND2-CD 3.31Å; N1520-Q1536 WeakPolarHBondContact ND2-CG 3.3Å; N1520-Q1536 PolarHBondContact ND2-NE2 2.68Å; N1520-Q1536 PolarHBondContact ND2-OE1 3.18Å; N1520-Q1536 VanDerWaalsContact ND2-OE1 3.14Å; Q1536-R1538 HydrophobicContact CG-CG 4.26Å; Q1536-D1653 CarbonylContact C-O 3.51Å; Q1536-D1653 VanDerWaalsContact CA-O 3.29Å; Q1536-D1653 WeakPolarHBondContact CA-O 3.39Å; Q1536-D1653 HydrophobicContact CB-CB 4.42Å; Q1536-D1653 HydrophobicContact CG-CB 4.18Å; Q1536-D1653 WeakPolarHBondContact CG-OD2 3.49Å; Q1536-D1653 PolarHBondContact NE2-OD2 3.18Å; Q1536-D1653 VanDerWaalsContact NE2-OD2 3.11Å |
| 1537 | F | 86 | Confident | 79.8 | Confident | 61.2 Ų | 61.2 | 56.5 Ų | 56.5 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.1 | 174 | -63.1 | -93.1 | 0 | 0 | 0 | 108.2 | S1516 A1517 R1535 V1652 D1653 L1654 K1655 | S1516-F1537 CarbonylContact O-C 3.52Å; S1516-F1537 VanDerWaalsContact O-CA 3.31Å; S1516-F1537 WeakPolarHBondContact O-CA 3.3Å; A1517-F1537 HydrophobicContact CB-CD1 3.55Å; A1517-F1537 VanDerWaalsContact CB-CD1 3.49Å; A1517-F1537 HydrophobicContact CB-CE1 3.7Å; A1517-F1537 HydrophobicContact CB-CG 4.41Å; R1535-F1537 HydrophobicContact CB-CD2 4.43Å; R1535-F1537 HydrophobicContact CB-CE2 3.79Å; R1535-F1537 HydrophobicContact CB-CZ 4.44Å; R1535-F1537 HydrophobicContact CG-CE2 4.43Å; F1537-V1652 HydrophobicContact CD2-CG1 3.83Å; F1537-V1652 HydrophobicContact CE2-CG1 3.89Å; F1537-D1653 PolarHBondContact N-O 3.14Å; F1537-L1654 HydrophobicContact CB-CB 4.33Å; F1537-L1654 HydrophobicContact CB-CD1 3.91Å; F1537-L1654 HydrophobicContact CB-CG 4.32Å; F1537-L1654 CarbonylContact O-C 3.57Å; F1537-L1654 WeakPolarHBondContact O-CA 3.35Å; F1537-K1655 PolarHBondContact O-N 3.08Å |
| 1538 | R | 88.1 | Confident | 81.4 | Confident | 114.8 Ų | 114.8 | 51.3 Ų | 51.3 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.7 | 170.5 | -58.3 | -174.7 | -161.1 | 144.1 | 4 | 110.3 | E1126 L1515 S1516 W1518 Q1536 K1655 | E1126-R1538 IonicContact OE1-CZ 2.74Å; E1126-R1538 VanDerWaalsContact OE1-CZ 3.3Å; E1126-R1538 IonicContact OE1-NH1 3.93Å; E1126-R1538 PolarHBondContact OE1-NH1 3.45Å; E1126-R1538 IonicContact OE1-NH2 3.74Å; E1126-R1538 PolarHBondContact OE1-NH2 2.84Å; E1126-R1538 IonicContact OE2-CZ 2.81Å; E1126-R1538 IonicContact OE2-NH1 2.71Å; E1126-R1538 PolarHBondContact OE2-NH1 3.31Å; L1515-R1538 CarbonylContact C-O 3.56Å; L1515-R1538 WeakPolarHBondContact CA-O 3.33Å; S1516-R1538 PolarHBondContact N-O 2.95Å; S1516-R1538 PolarHBondContact O-N 3.05Å; S1516-R1538 VanDerWaalsContact OG-CB 3.29Å; S1516-R1538 WeakPolarHBondContact OG-CB 3.39Å; S1516-R1538 PolarHBondContact OG-O 3.13Å; W1518-R1538 HydrophobicContact CH2-CB 4.01Å; W1518-R1538 HydrophobicContact CH2-CG 3.82Å; W1518-R1538 VanDerWaalsContact CH2-NE 3.29Å; W1518-R1538 HydrophobicContact CZ2-CB 4.37Å; W1518-R1538 HydrophobicContact CZ2-CG 3.67Å; W1518-R1538 VanDerWaalsContact CZ2-CZ 3.41Å; W1518-R1538 HydrophobicContact CZ3-CB 3.99Å; W1518-R1538 HydrophobicContact CZ3-CG 4.32Å; Q1536-R1538 HydrophobicContact CG-CG 4.26Å; R1538-K1655 CarbonylContact C-O 3.42Å; R1538-K1655 VanDerWaalsContact CA-O 3.24Å; R1538-K1655 WeakPolarHBondContact CA-O 3.31Å; R1538-K1655 HydrophobicContact CG-CB 4.32Å |
| 1539 | Y | 91.4 | Very high | 82.7 | Confident | 70.6 Ų | 70.6 | 46.9 Ų | 46.9 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.8 | 171.8 | 72.2 | -89.7 | 0 | 0 | 0 | 111.7 | S1514 I1541 L1654 K1655 G1656 K1657 H1685 | S1514-Y1539 CarbonylContact O-C 3.56Å; S1514-Y1539 VanDerWaalsContact O-CA 3.26Å; S1514-Y1539 WeakPolarHBondContact O-CA 3.24Å; Y1539-I1541 HydrophobicContact CD2-CD1 4.34Å; Y1539-I1541 HydrophobicContact CD2-CG1 4.27Å; Y1539-I1541 HydrophobicContact CE2-CD1 4.33Å; Y1539-I1541 HydrophobicContact CE2-CG1 4.47Å; Y1539-L1654 HydrophobicContact CD1-CD1 3.99Å; Y1539-L1654 HydrophobicContact CD1-CD2 4.47Å; Y1539-L1654 HydrophobicContact CE1-CD1 4.08Å; Y1539-L1654 HydrophobicContact CE1-CD2 4.11Å; Y1539-L1654 HydrophobicContact CE1-CG 4.34Å; Y1539-K1655 VanDerWaalsContact CD1-O 3.27Å; Y1539-K1655 WeakPolarHBondContact CD1-O 3.42Å; Y1539-K1655 PolarHBondContact N-O 2.87Å; Y1539-G1656 VanDerWaalsContact CE1-CA 3.46Å; Y1539-G1656 VanDerWaalsContact CZ-CA 3.48Å; Y1539-G1656 CarbonylContact O-C 3.53Å; Y1539-G1656 VanDerWaalsContact O-CA 3.32Å; Y1539-G1656 WeakPolarHBondContact O-CA 3.28Å; Y1539-K1657 PolarHBondContact O-N 3.16Å; Y1539-H1685 AromaticContact CE1-ND1 3.88Å; Y1539-H1685 AromaticContact CZ-ND1 3.84Å; Y1539-H1685 VanDerWaalsContact OH-CB 3.27Å; Y1539-H1685 WeakPolarHBondContact OH-CB 3.29Å; Y1539-H1685 PolarHBondContact OH-ND1 2.95Å |
| 1540 | G | 90.5 | Very high | 83.6 | Confident | 16.6 Ų | 16.6 | 44.9 Ų | 44.9 | 17% | 0.171 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1513 S1514 K1657 | L1513-G1540 CarbonylContact C-O 3.53Å; L1513-G1540 VanDerWaalsContact CA-O 3.3Å; L1513-G1540 WeakPolarHBondContact CA-O 3.23Å; S1514-G1540 PolarHBondContact N-O 3.26Å; S1514-G1540 PolarHBondContact O-N 2.98Å; S1514-G1540 WeakPolarHBondContact OG-CA 3.34Å; S1514-G1540 PolarHBondContact OG-N 2.85Å; S1514-G1540 PolarHBondContact OG-O 3.1Å; G1540-K1657 CarbonylContact C-O 3.52Å; G1540-K1657 VanDerWaalsContact CA-O 3.29Å; G1540-K1657 WeakPolarHBondContact CA-O 3.36Å |
| 1541 | I | 91.9 | Very high | 84.3 | Confident | 46.2 Ų | 46.2 | 41.5 Ų | 41.5 | 24% | 0.237 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.5 | 176.4 | -49.2 | -178.5 | 0 | 0 | 0 | 108.1 | M1511 H1512 L1513 Y1539 K1657 A1658 D1659 | M1511-I1541 HydrophobicContact CE-CG2 4.33Å; H1512-I1541 CarbonylContact O-C 3.51Å; H1512-I1541 WeakPolarHBondContact O-CA 3.41Å; L1513-I1541 HydrophobicContact CD1-CD1 4.29Å; L1513-I1541 HydrophobicContact CD1-CG1 4.01Å; L1513-I1541 HydrophobicContact CD2-CB 4.07Å; L1513-I1541 HydrophobicContact CD2-CD1 3.96Å; L1513-I1541 HydrophobicContact CD2-CG1 3.63Å; L1513-I1541 HydrophobicContact CD2-CG2 3.79Å; L1513-I1541 HydrophobicContact CG-CG1 4.35Å; Y1539-I1541 HydrophobicContact CD2-CD1 4.34Å; Y1539-I1541 HydrophobicContact CD2-CG1 4.27Å; Y1539-I1541 HydrophobicContact CE2-CD1 4.33Å; Y1539-I1541 HydrophobicContact CE2-CG1 4.47Å; I1541-K1657 PolarHBondContact N-O 3.02Å; I1541-A1658 HydrophobicContact CB-CB 3.89Å; I1541-A1658 HydrophobicContact CD1-CB 4.32Å; I1541-A1658 HydrophobicContact CG1-CB 4.24Å; I1541-A1658 CarbonylContact O-C 3.51Å; I1541-A1658 VanDerWaalsContact O-CA 3.27Å; I1541-A1658 WeakPolarHBondContact O-CA 3.31Å; I1541-D1659 PolarHBondContact O-N 3.14Å |
| 1542 | D | 92 | Very high | 84.7 | Confident | 60.8 Ų | 60.8 | 43 Ų | 43 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128 | 166.1 | 170.8 | 28.5 | 0 | 0 | 0 | 108.3 | M1511 H1512 D1659 N1661 | M1511-D1542 CarbonylContact C-O 3.56Å; M1511-D1542 WeakPolarHBondContact CA-O 3.42Å; H1512-D1542 HydrophobicContact CB-CB 4.36Å; H1512-D1542 PolarHBondContact N-O 3.16Å; H1512-D1542 PolarHBondContact O-N 3.23Å; D1542-D1659 WeakPolarHBondContact CA-O 3.35Å; D1542-N1661 PolarHBondContact OD1-ND2 3.12Å |
| 1543 | L | 91.4 | Very high | 84.9 | Confident | 13.2 Ų | 13.2 | 41.8 Ų | 41.8 | 7% | 0.069 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 121.2 | 180 | -178.3 | 64.3 | 0 | 0 | 0 | 110 | L1508 M1511 C1546 D1659 I1660 N1661 | L1508-L1543 HydrophobicContact CB-CD1 4.32Å; L1508-L1543 HydrophobicContact CD2-CD1 3.97Å; L1508-L1543 HydrophobicContact CD2-CD2 3.85Å; L1508-L1543 HydrophobicContact CD2-CG 4.46Å; M1511-L1543 HydrophobicContact CB-CD1 3.86Å; M1511-L1543 HydrophobicContact CG-CD1 4.22Å; L1543-C1546 HydrophobicContact CD2-CB 4.02Å; L1543-D1659 PolarHBondContact N-O 3.23Å; L1543-I1660 HydrophobicContact CB-CB 4.48Å; L1543-I1660 HydrophobicContact CB-CG1 4.2Å; L1543-I1660 HydrophobicContact CB-CG2 4.09Å; L1543-I1660 HydrophobicContact CD2-CD1 4.31Å; L1543-I1660 HydrophobicContact CD2-CG1 4.48Å; L1543-I1660 HydrophobicContact CD2-CG2 3.93Å; L1543-I1660 HydrophobicContact CG-CG2 4.16Å; L1543-I1660 WeakPolarHBondContact O-CA 3.36Å; L1543-N1661 PolarHBondContact O-N 3.28Å; L1543-N1661 PolarHBondContact O-ND2 3.23Å; L1543-N1661 VanDerWaalsContact O-ND2 3.13Å |
| 1544 | K | 91.1 | Very high | 85.4 | Confident | 111.2 Ų | 111.2 | 41.7 Ų | 41.7 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -36.9 | -176.8 | -63.1 | -159.1 | -179.4 | -142.4 | 0 | 113.5 | E1509 K1510 N1661 R1662 | E1509-K1544 WeakPolarHBondContact O-CB 3.28Å; E1509-K1544 PolarHBondContact O-N 3.1Å; E1509-K1544 VanDerWaalsContact O-N 3.17Å; K1510-K1544 HydrophobicContact CB-CB 4.24Å; K1510-K1544 HydrophobicContact CB-CD 3.93Å; K1510-K1544 HydrophobicContact CB-CG 3.91Å; K1510-K1544 HydrophobicContact CD-CD 4.14Å; K1510-K1544 HydrophobicContact CG-CD 4.47Å; K1510-K1544 PolarHBondContact O-N 3.06Å; K1510-K1544 VanDerWaalsContact O-N 3.16Å; K1544-N1661 WeakPolarHBondContact O-CB 3.26Å; K1544-R1662 PolarHBondContact O-N 2.91Å |
| 1545 | G | 88.4 | Confident | 85.5 | Confident | 7.2 Ų | 7.2 | 41.9 Ų | 41.9 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 139.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1508 E1509 R1662 | L1508-G1545 CarbonylContact C-O 3.51Å; L1508-G1545 WeakPolarHBondContact CA-O 3.24Å; E1509-G1545 PolarHBondContact N-O 3.05Å; E1509-G1545 PolarHBondContact O-N 3.14Å; E1509-G1545 VanDerWaalsContact O-N 3.16Å; G1545-R1662 CarbonylContact C-O 3.52Å; G1545-R1662 WeakPolarHBondContact CA-O 3.28Å |
| 1546 | C | 91 | Very high | 85.4 | Confident | 14.2 Ų | 14.2 | 39.5 Ų | 39.5 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.3 | 166.2 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | T1507 L1508 L1543 R1662 V1663 E1664 | T1507-C1546 CarbonylContact O-C 3.53Å; T1507-C1546 WeakPolarHBondContact O-CA 3.4Å; L1508-C1546 HydrophobicContact CD2-CB 3.86Å; L1508-C1546 VanDerWaalsContact CD2-SG 3.55Å; L1543-C1546 HydrophobicContact CD2-CB 4.02Å; C1546-R1662 PolarHBondContact N-O 3.05Å; C1546-V1663 HydrophobicContact CB-CG1 4.36Å; C1546-V1663 HydrophobicContact CB-CG2 4.38Å; C1546-V1663 CarbonylContact O-C 3.51Å; C1546-V1663 WeakPolarHBondContact O-CA 3.37Å; C1546-E1664 PolarHBondContact O-N 2.93Å |
| 1547 | T | 90.2 | Very high | 85.3 | Confident | 31.8 Ų | 31.8 | 38.9 Ų | 38.9 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130 | 166.5 | 72.5 | 0 | 0 | 0 | 0 | 109.6 | C1506 T1507 E1664 | C1506-T1547 CarbonylContact C-O 3.41Å; C1506-T1547 VanDerWaalsContact CA-O 3.24Å; C1506-T1547 WeakPolarHBondContact CA-O 3.35Å; T1507-T1547 PolarHBondContact N-O 3.2Å; T1507-T1547 PolarHBondContact O-N 3.15Å; T1507-T1547 WeakPolarHBondContact OG1-CB 3.33Å; T1507-T1547 PolarHBondContact OG1-OG1 3.15Å; T1547-E1664 CarbonylContact C-O 3.52Å; T1547-E1664 VanDerWaalsContact CA-O 3.23Å; T1547-E1664 WeakPolarHBondContact CA-O 3.41Å; T1547-E1664 HydrophobicContact CG2-CB 4.32Å |
| 1548 | L | 89.9 | Confident | 85 | Confident | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.5 | 179.6 | -63.3 | 176.7 | 0 | 0 | 0 | 109.3 | L1505 C1506 F1550 E1664 V1665 R1666 | L1505-L1548 WeakPolarHBondContact O-CA 3.31Å; C1506-L1548 HydrophobicContact CB-CD2 3.84Å; C1506-L1548 VanDerWaalsContact SG-CD2 3.57Å; L1548-F1550 HydrophobicContact CB-CE2 3.88Å; L1548-F1550 HydrophobicContact CB-CZ 4.15Å; L1548-F1550 HydrophobicContact CD1-CE2 4.45Å; L1548-F1550 HydrophobicContact CD1-CZ 4.39Å; L1548-E1664 PolarHBondContact N-O 3.19Å; L1548-V1665 HydrophobicContact CB-CG1 4.44Å; L1548-V1665 HydrophobicContact CB-CG2 4.34Å; L1548-V1665 HydrophobicContact CD1-CG2 4.26Å; L1548-V1665 CarbonylContact O-C 3.54Å; L1548-V1665 WeakPolarHBondContact O-CA 3.34Å; L1548-R1666 PolarHBondContact O-N 3.03Å |
| 1549 | C | 86.4 | Confident | 84.5 | Confident | 29.4 Ų | 29.4 | 34.8 Ų | 34.8 | 20% | 0.199 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 96.2 | -171 | -78.2 | 0 | 0 | 0 | 0 | 111.3 | S1504 L1505 G1551 A1554 R1666 | S1504-C1549 WeakPolarHBondContact O-CB 3.32Å; L1505-C1549 WeakPolarHBondContact CD1-O 3.3Å; L1505-C1549 PolarHBondContact O-N 3.14Å; C1549-G1551 PolarHBondContact O-N 3.15Å; C1549-G1551 VanDerWaalsContact O-N 3.11Å; C1549-A1554 WeakPolarHBondContact O-CB 3.22Å; C1549-R1666 CarbonylContact C-O 3.58Å; C1549-R1666 VanDerWaalsContact CA-O 3.29Å; C1549-R1666 WeakPolarHBondContact CA-O 3.19Å |
| 1550 | F | 82.3 | Confident | 83.9 | Confident | 56.2 Ų | 56.2 | 32.9 Ų | 32.9 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 78.8 | -178.4 | -60.3 | -69.2 | 0 | 0 | 0 | 111.8 | L1505 L1548 L1555 I1558 V1665 R1666 A1667 L1668 | L1505-F1550 HydrophobicContact CD1-CD1 4.23Å; L1548-F1550 HydrophobicContact CB-CE2 3.88Å; L1548-F1550 HydrophobicContact CB-CZ 4.15Å; L1548-F1550 HydrophobicContact CD1-CE2 4.45Å; L1548-F1550 HydrophobicContact CD1-CZ 4.39Å; F1550-L1555 HydrophobicContact CB-CD1 4.33Å; F1550-L1555 HydrophobicContact CB-CD2 4.25Å; F1550-L1555 HydrophobicContact CB-CG 4.34Å; F1550-L1555 HydrophobicContact CD1-CD2 4.07Å; F1550-L1555 HydrophobicContact CD1-CG 4.43Å; F1550-L1555 HydrophobicContact CG-CD2 4.45Å; F1550-I1558 HydrophobicContact CD1-CD1 3.9Å; F1550-I1558 HydrophobicContact CE1-CD1 3.71Å; F1550-I1558 VanDerWaalsContact CE1-CD1 3.48Å; F1550-V1665 HydrophobicContact CD2-CG1 3.75Å; F1550-V1665 HydrophobicContact CE2-CG1 3.65Å; F1550-R1666 PolarHBondContact N-O 2.93Å; F1550-A1667 HydrophobicContact CB-CB 4Å; F1550-A1667 CarbonylContact O-C 3.5Å; F1550-A1667 VanDerWaalsContact O-CA 3.3Å; F1550-A1667 WeakPolarHBondContact O-CA 3.34Å; F1550-L1668 PolarHBondContact O-N 3Å |
| 1551 | G | 78.2 | Confident | 83.4 | Confident | 8.2 Ų | 8.2 | 35.8 Ų | 35.8 | 9% | 0.085 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 167.1 | 164 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1549 A1554 L1555 | C1549-G1551 PolarHBondContact O-N 3.15Å; C1549-G1551 VanDerWaalsContact O-N 3.11Å; G1551-A1554 WeakPolarHBondContact O-CA 3.36Å; G1551-A1554 VanDerWaalsContact O-CB 3.3Å; G1551-A1554 WeakPolarHBondContact O-CB 3.31Å; G1551-A1554 PolarHBondContact O-N 2.97Å; G1551-A1554 VanDerWaalsContact O-N 3.16Å; G1551-L1555 WeakPolarHBondContact O-CG 3.5Å; G1551-L1555 PolarHBondContact O-N 2.99Å; G1551-L1555 VanDerWaalsContact O-N 3.11Å |
| 1552 | Y | 74.7 | Confident | 82.8 | Confident | 34.6 Ų | 34.6 | 37.7 Ų | 37.7 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -49.4 | -46.4 | 175.8 | 172.9 | -98.5 | 0 | 0 | 0 | 114.2 | A1554 L1555 V1556 R1791 M1794 L1795 | Y1552-A1554 VanDerWaalsContact C-N 3.34Å; Y1552-A1554 PolarHBondContact O-N 3.33Å; Y1552-L1555 PolarHBondContact O-N 2.91Å; Y1552-V1556 HydrophobicContact CD1-CG2 4.45Å; Y1552-V1556 HydrophobicContact CD2-CG2 4.23Å; Y1552-V1556 HydrophobicContact CE1-CG2 4.17Å; Y1552-V1556 HydrophobicContact CE2-CG2 4.03Å; Y1552-V1556 WeakPolarHBondContact O-CG2 3.27Å; Y1552-V1556 PolarHBondContact O-N 3.07Å; Y1552-V1556 VanDerWaalsContact O-N 3.09Å; Y1552-R1791 HydrophobicContact CD2-CB 4.45Å; Y1552-R1791 HydrophobicContact CE2-CB 4.11Å; Y1552-R1791 HydrophobicContact CE2-CG 4.31Å; Y1552-M1794 HydrophobicContact CE2-CE 4.19Å; Y1552-M1794 WeakPolarHBondContact OH-CB 3.36Å; Y1552-M1794 WeakPolarHBondContact OH-CE 3.37Å; Y1552-M1794 PolarHBondContact OH-SD 3.39Å; Y1552-L1795 HydrophobicContact CD2-CD1 4.38Å; Y1552-L1795 HydrophobicContact CD2-CD2 4.3Å; Y1552-L1795 HydrophobicContact CE2-CD2 4.29Å; Y1552-L1795 HydrophobicContact CE2-CG 4.31Å |
| 1553 | P | 75.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.045 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 175.7 | -26.7 | 38.8 | 0 | 0 | 0 | 113.9 | L1145 V1482 E1484 R1503 L1555 V1556 L1557 | L1145-P1553 HydrophobicContact CD1-CB 4.14Å; L1145-P1553 VanDerWaalsContact CD1-O 3.32Å; L1145-P1553 WeakPolarHBondContact CD1-O 3.41Å; L1145-P1553 HydrophobicContact CD2-CB 4.02Å; L1145-P1553 HydrophobicContact CD2-CG 4.44Å; V1482-P1553 HydrophobicContact CB-CB 4.46Å; V1482-P1553 HydrophobicContact CG1-CB 3.86Å; E1484-P1553 HydrophobicContact CB-CG 4.15Å; E1484-P1553 VanDerWaalsContact CD-CG 3.49Å; E1484-P1553 HydrophobicContact CG-CB 4.09Å; E1484-P1553 HydrophobicContact CG-CG 4.1Å; E1484-P1553 VanDerWaalsContact OE1-CD 3.23Å; E1484-P1553 WeakPolarHBondContact OE1-CD 3.45Å; E1484-P1553 WeakPolarHBondContact OE1-CG 3.36Å; E1484-P1553 WeakPolarHBondContact OE2-CG 3.43Å; R1503-P1553 VanDerWaalsContact NH1-CD 3.31Å; R1503-P1553 VanDerWaalsContact NH1-CG 3.31Å; P1553-L1555 VanDerWaalsContact C-N 3.33Å; P1553-L1555 PolarHBondContact O-N 2.8Å; P1553-V1556 PolarHBondContact O-N 3.12Å; P1553-L1557 VanDerWaalsContact O-CB 3.3Å; P1553-L1557 WeakPolarHBondContact O-CB 3.37Å; P1553-L1557 PolarHBondContact O-N 3.18Å |
| 1554 | A | 80.2 | Confident | 81.3 | Confident | 4.8 Ų | 4.8 | 38.8 Ų | 38.8 | 4% | 0.04 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1505 C1549 G1551 Y1552 L1557 I1558 | L1505-A1554 HydrophobicContact CB-CB 4.35Å; L1505-A1554 HydrophobicContact CD1-CB 3.62Å; L1505-A1554 VanDerWaalsContact CD1-CB 3.44Å; L1505-A1554 HydrophobicContact CG-CB 3.97Å; C1549-A1554 WeakPolarHBondContact O-CB 3.22Å; G1551-A1554 WeakPolarHBondContact O-CA 3.36Å; G1551-A1554 VanDerWaalsContact O-CB 3.3Å; G1551-A1554 WeakPolarHBondContact O-CB 3.31Å; G1551-A1554 PolarHBondContact O-N 2.97Å; G1551-A1554 VanDerWaalsContact O-N 3.16Å; Y1552-A1554 VanDerWaalsContact C-N 3.34Å; Y1552-A1554 PolarHBondContact O-N 3.33Å; A1554-L1557 PolarHBondContact O-N 2.94Å; A1554-I1558 WeakPolarHBondContact O-CB 3.41Å; A1554-I1558 WeakPolarHBondContact O-CD1 3.32Å; A1554-I1558 VanDerWaalsContact O-CG1 3.24Å; A1554-I1558 WeakPolarHBondContact O-CG1 3.37Å; A1554-I1558 PolarHBondContact O-N 3.19Å |
| 1555 | L | 77.6 | Confident | 80.6 | Confident | 41.8 Ų | 41.8 | 36.6 Ų | 36.6 | 22% | 0.219 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.4 | -66.7 | 169.5 | 0 | 0 | 0 | 112.2 | F1550 G1551 Y1552 P1553 L1557 I1558 N1559 F1669 L1795 | F1550-L1555 HydrophobicContact CB-CD1 4.33Å; F1550-L1555 HydrophobicContact CB-CD2 4.25Å; F1550-L1555 HydrophobicContact CB-CG 4.34Å; F1550-L1555 HydrophobicContact CD1-CD2 4.07Å; F1550-L1555 HydrophobicContact CD1-CG 4.43Å; F1550-L1555 HydrophobicContact CG-CD2 4.45Å; G1551-L1555 WeakPolarHBondContact O-CG 3.5Å; G1551-L1555 PolarHBondContact O-N 2.99Å; G1551-L1555 VanDerWaalsContact O-N 3.11Å; Y1552-L1555 PolarHBondContact O-N 2.91Å; P1553-L1555 VanDerWaalsContact C-N 3.33Å; P1553-L1555 PolarHBondContact O-N 2.8Å; L1555-L1557 VanDerWaalsContact C-N 3.33Å; L1555-I1558 PolarHBondContact O-N 3Å; L1555-N1559 VanDerWaalsContact O-CB 3.28Å; L1555-N1559 WeakPolarHBondContact O-CB 3.34Å; L1555-N1559 PolarHBondContact O-N 3.02Å; L1555-F1669 HydrophobicContact CD1-CD1 4.27Å; L1555-F1669 HydrophobicContact CD1-CE1 3.63Å; L1555-F1669 VanDerWaalsContact CD1-CE1 3.47Å; L1555-F1669 HydrophobicContact CD1-CZ 4.13Å; L1555-L1795 HydrophobicContact CB-CD2 3.7Å; L1555-L1795 HydrophobicContact CD1-CD1 4.24Å; L1555-L1795 HydrophobicContact CD1-CD2 4.13Å; L1555-L1795 HydrophobicContact CG-CD2 4.31Å |
| 1556 | V | 74.8 | Confident | 80 | Confident | 20.6 Ų | 20.6 | 41.7 Ų | 41.7 | 13% | 0.125 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L1145 Y1552 P1553 I1558 N1559 Q1560 M1794 L1795 | L1145-V1556 HydrophobicContact CD1-CB 4.22Å; L1145-V1556 HydrophobicContact CD1-CG1 4.05Å; L1145-V1556 HydrophobicContact CG-CG1 4.44Å; Y1552-V1556 HydrophobicContact CD1-CG2 4.45Å; Y1552-V1556 HydrophobicContact CD2-CG2 4.23Å; Y1552-V1556 HydrophobicContact CE1-CG2 4.17Å; Y1552-V1556 HydrophobicContact CE2-CG2 4.03Å; Y1552-V1556 WeakPolarHBondContact O-CG2 3.27Å; Y1552-V1556 PolarHBondContact O-N 3.07Å; Y1552-V1556 VanDerWaalsContact O-N 3.09Å; P1553-V1556 PolarHBondContact O-N 3.12Å; V1556-I1558 PolarHBondContact O-N 3.42Å; V1556-N1559 PolarHBondContact O-N 3.31Å; V1556-Q1560 HydrophobicContact CG1-CG 4.38Å; V1556-Q1560 VanDerWaalsContact O-CG 3.23Å; V1556-Q1560 WeakPolarHBondContact O-CG 3.39Å; V1556-Q1560 PolarHBondContact O-N 3.16Å; V1556-Q1560 VanDerWaalsContact O-N 3.12Å; V1556-M1794 HydrophobicContact CG2-CE 4.46Å; V1556-L1795 HydrophobicContact CG2-CD2 4.17Å |
| 1557 | L | 79.6 | Confident | 79.1 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.9 | 179.2 | 63.8 | 0 | 0 | 0 | 111.9 | C1143 L1145 L1158 V1482 L1505 P1553 A1554 L1555 N1559 Q1560 I1561 | C1143-L1557 HydrophobicContact CB-CD1 4.38Å; C1143-L1557 HydrophobicContact CB-CD2 3.75Å; L1145-L1557 HydrophobicContact CD1-CB 4.23Å; L1158-L1557 HydrophobicContact CD1-CD1 3.64Å; L1158-L1557 HydrophobicContact CD2-CD1 3.63Å; L1158-L1557 HydrophobicContact CG-CD1 4.41Å; V1482-L1557 HydrophobicContact CG1-CD2 4.33Å; V1482-L1557 HydrophobicContact CG2-CD2 3.65Å; V1482-L1557 VanDerWaalsContact CG2-CD2 3.47Å; L1505-L1557 HydrophobicContact CD1-CD2 4.02Å; P1553-L1557 VanDerWaalsContact O-CB 3.3Å; P1553-L1557 WeakPolarHBondContact O-CB 3.37Å; P1553-L1557 PolarHBondContact O-N 3.18Å; A1554-L1557 PolarHBondContact O-N 2.94Å; L1555-L1557 VanDerWaalsContact C-N 3.33Å; L1557-N1559 VanDerWaalsContact C-N 3.32Å; L1557-N1559 PolarHBondContact O-N 3.05Å; L1557-Q1560 PolarHBondContact O-N 3.21Å; L1557-I1561 HydrophobicContact CD1-CD1 3.97Å; L1557-I1561 HydrophobicContact CD1-CG1 4.24Å; L1557-I1561 HydrophobicContact CD2-CD1 4.46Å; L1557-I1561 HydrophobicContact CG-CD1 3.87Å; L1557-I1561 HydrophobicContact CG-CG1 4.47Å; L1557-I1561 WeakPolarHBondContact O-CB 3.3Å; L1557-I1561 VanDerWaalsContact O-CG1 3.28Å; L1557-I1561 WeakPolarHBondContact O-CG1 3.37Å; L1557-I1561 PolarHBondContact O-N 3.03Å |
| 1558 | I | 81.1 | Confident | 78.2 | Confident | 64.8 Ų | 64.8 | 42.2 Ų | 42.2 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 178 | -71.1 | 163.3 | 0 | 0 | 0 | 110.8 | L1505 F1550 A1554 L1555 V1556 I1561 Q1562 | L1505-I1558 HydrophobicContact CD1-CD1 4.37Å; L1505-I1558 HydrophobicContact CD1-CG1 4.41Å; F1550-I1558 HydrophobicContact CD1-CD1 3.9Å; F1550-I1558 HydrophobicContact CE1-CD1 3.71Å; F1550-I1558 VanDerWaalsContact CE1-CD1 3.48Å; A1554-I1558 WeakPolarHBondContact O-CB 3.41Å; A1554-I1558 WeakPolarHBondContact O-CD1 3.32Å; A1554-I1558 VanDerWaalsContact O-CG1 3.24Å; A1554-I1558 WeakPolarHBondContact O-CG1 3.37Å; A1554-I1558 PolarHBondContact O-N 3.19Å; L1555-I1558 PolarHBondContact O-N 3Å; V1556-I1558 PolarHBondContact O-N 3.42Å; I1558-I1561 PolarHBondContact O-N 2.83Å; I1558-Q1562 VanDerWaalsContact O-CB 3.3Å; I1558-Q1562 WeakPolarHBondContact O-CB 3.25Å; I1558-Q1562 PolarHBondContact O-N 2.99Å |
| 1559 | N | 77.2 | Confident | 77.2 | Confident | 26.2 Ų | 26.2 | 46.7 Ų | 46.7 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -46 | 177.5 | -162.2 | 8.5 | 0 | 0 | 0 | 111.1 | W1156 L1555 V1556 L1557 I1561 Q1562 Y1563 M1794 L1795 | W1156-N1559 HydrophobicContact CH2-CB 4.5Å; W1156-N1559 HydrophobicContact CZ3-CB 4.37Å; L1555-N1559 VanDerWaalsContact O-CB 3.28Å; L1555-N1559 WeakPolarHBondContact O-CB 3.34Å; L1555-N1559 PolarHBondContact O-N 3.02Å; V1556-N1559 PolarHBondContact O-N 3.31Å; L1557-N1559 VanDerWaalsContact C-N 3.32Å; L1557-N1559 PolarHBondContact O-N 3.05Å; N1559-I1561 PolarHBondContact O-N 3.14Å; N1559-Q1562 WeakPolarHBondContact O-CB 3.27Å; N1559-Q1562 PolarHBondContact O-N 3.2Å; N1559-Y1563 VanDerWaalsContact O-CD2 3.24Å; N1559-Y1563 WeakPolarHBondContact O-CD2 3.4Å; N1559-Y1563 PolarHBondContact O-N 3.15Å; N1559-Y1563 WeakPolarHBondContact OD1-CD2 3.4Å; N1559-Y1563 VanDerWaalsContact OD1-CE2 3.25Å; N1559-Y1563 WeakPolarHBondContact OD1-CE2 3.32Å; N1559-M1794 PolarHBondContact ND2-O 2.87Å; N1559-L1795 PolarHBondContact ND2-O 2.8Å; N1559-L1795 VanDerWaalsContact ND2-O 3.08Å |
| 1560 | Q | 78.2 | Confident | 76.3 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 15% | 0.145 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.5 | -69.3 | -172.1 | 39.8 | 0 | 0 | 112.4 | W1156 L1158 V1556 L1557 Q1562 Y1563 V1564 | W1156-Q1560 VanDerWaalsContact C-OE1 3.32Å; W1156-Q1560 HydrophobicContact CB-CG 4.38Å; W1156-Q1560 HydrophobicContact CD2-CG 4.26Å; W1156-Q1560 HydrophobicContact CE3-CB 4.12Å; W1156-Q1560 HydrophobicContact CE3-CG 3.44Å; W1156-Q1560 VanDerWaalsContact CE3-CG 3.43Å; W1156-Q1560 HydrophobicContact CZ3-CB 4.36Å; W1156-Q1560 HydrophobicContact CZ3-CG 3.91Å; W1156-Q1560 PolarHBondContact O-OE1 3.11Å; L1158-Q1560 HydrophobicContact CB-CB 4.5Å; L1158-Q1560 HydrophobicContact CD2-CB 4.02Å; L1158-Q1560 VanDerWaalsContact N-OE1 3.1Å; V1556-Q1560 HydrophobicContact CG1-CG 4.38Å; V1556-Q1560 VanDerWaalsContact O-CG 3.23Å; V1556-Q1560 WeakPolarHBondContact O-CG 3.39Å; V1556-Q1560 PolarHBondContact O-N 3.16Å; V1556-Q1560 VanDerWaalsContact O-N 3.12Å; L1557-Q1560 PolarHBondContact O-N 3.21Å; Q1560-Q1562 VanDerWaalsContact C-N 3.31Å; Q1560-Q1562 PolarHBondContact O-N 2.96Å; Q1560-Y1563 PolarHBondContact O-N 3.01Å; Q1560-V1564 WeakPolarHBondContact O-CG2 3.38Å; Q1560-V1564 PolarHBondContact O-N 2.95Å |
| 1561 | I | 80.7 | Confident | 75.1 | Confident | 76.8 Ų | 76.8 | 51.4 Ų | 51.4 | 39% | 0.394 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.2 | -68.6 | 169.9 | 0 | 0 | 0 | 110.6 | L1158 L1557 I1558 N1559 Y1563 V1564 V1565 | L1158-I1561 HydrophobicContact CD2-CG1 4.4Å; L1557-I1561 HydrophobicContact CD1-CD1 3.97Å; L1557-I1561 HydrophobicContact CD1-CG1 4.24Å; L1557-I1561 HydrophobicContact CD2-CD1 4.46Å; L1557-I1561 HydrophobicContact CG-CD1 3.87Å; L1557-I1561 HydrophobicContact CG-CG1 4.47Å; L1557-I1561 WeakPolarHBondContact O-CB 3.3Å; L1557-I1561 VanDerWaalsContact O-CG1 3.28Å; L1557-I1561 WeakPolarHBondContact O-CG1 3.37Å; L1557-I1561 PolarHBondContact O-N 3.03Å; I1558-I1561 PolarHBondContact O-N 2.83Å; N1559-I1561 PolarHBondContact O-N 3.14Å; I1561-Y1563 VanDerWaalsContact C-N 3.31Å; I1561-Y1563 PolarHBondContact O-N 3.16Å; I1561-V1564 WeakPolarHBondContact O-CB 3.39Å; I1561-V1564 PolarHBondContact O-N 3.03Å; I1561-V1564 VanDerWaalsContact O-N 3.11Å; I1561-V1565 HydrophobicContact CG2-CG2 4.27Å; I1561-V1565 WeakPolarHBondContact O-CB 3.35Å; I1561-V1565 VanDerWaalsContact O-CG2 3.29Å; I1561-V1565 WeakPolarHBondContact O-CG2 3.28Å; I1561-V1565 PolarHBondContact O-N 3.11Å |
| 1562 | Q | 79.2 | Confident | 74.1 | Confident | 86.4 Ų | 86.4 | 54.4 Ų | 54.4 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 177 | -170.4 | -179.3 | 32.1 | 0 | 0 | 112 | I1558 N1559 Q1560 V1565 R1566 | I1558-Q1562 VanDerWaalsContact O-CB 3.3Å; I1558-Q1562 WeakPolarHBondContact O-CB 3.25Å; I1558-Q1562 PolarHBondContact O-N 2.99Å; N1559-Q1562 WeakPolarHBondContact O-CB 3.27Å; N1559-Q1562 PolarHBondContact O-N 3.2Å; Q1560-Q1562 VanDerWaalsContact C-N 3.31Å; Q1560-Q1562 PolarHBondContact O-N 2.96Å; Q1562-V1565 PolarHBondContact O-N 3.22Å; Q1562-R1566 VanDerWaalsContact CD-NH1 3.29Å; Q1562-R1566 VanDerWaalsContact CD-NH2 3.31Å; Q1562-R1566 WeakPolarHBondContact O-CB 3.23Å; Q1562-R1566 WeakPolarHBondContact O-CG 3.4Å; Q1562-R1566 PolarHBondContact O-N 3.1Å; Q1562-R1566 VanDerWaalsContact OE1-CZ 3.3Å; Q1562-R1566 VanDerWaalsContact OE1-NH1 3.13Å; Q1562-R1566 VanDerWaalsContact OE1-NH2 3.12Å |
| 1563 | Y | 73.2 | Confident | 73 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 172.8 | -94.4 | -72.2 | 0 | 0 | 0 | 112.5 | W1156 N1559 Q1560 I1561 R1566 A1567 T1797 P1798 V1801 | W1156-Y1563 HydrophobicContact CE3-CD2 4.22Å; W1156-Y1563 AromaticContact CH2-CD2 3.8Å; W1156-Y1563 HydrophobicContact CH2-CD2 3.8Å; W1156-Y1563 AromaticContact CH2-CE2 3.6Å; W1156-Y1563 HydrophobicContact CH2-CE2 3.6Å; W1156-Y1563 HydrophobicContact CZ2-CE2 4.44Å; W1156-Y1563 AromaticContact CZ3-CD2 3.48Å; W1156-Y1563 HydrophobicContact CZ3-CD2 3.48Å; W1156-Y1563 VanDerWaalsContact CZ3-CD2 3.48Å; W1156-Y1563 AromaticContact CZ3-CE2 3.81Å; W1156-Y1563 HydrophobicContact CZ3-CE2 3.81Å; N1559-Y1563 VanDerWaalsContact O-CD2 3.24Å; N1559-Y1563 WeakPolarHBondContact O-CD2 3.4Å; N1559-Y1563 PolarHBondContact O-N 3.15Å; N1559-Y1563 WeakPolarHBondContact OD1-CD2 3.4Å; N1559-Y1563 VanDerWaalsContact OD1-CE2 3.25Å; N1559-Y1563 WeakPolarHBondContact OD1-CE2 3.32Å; Q1560-Y1563 PolarHBondContact O-N 3.01Å; I1561-Y1563 VanDerWaalsContact C-N 3.31Å; I1561-Y1563 PolarHBondContact O-N 3.16Å; Y1563-R1566 PolarHBondContact O-N 3.3Å; Y1563-A1567 VanDerWaalsContact O-CB 3.28Å; Y1563-A1567 WeakPolarHBondContact O-CB 3.34Å; Y1563-A1567 PolarHBondContact O-N 2.86Å; Y1563-T1797 PolarHBondContact OH-O 3.28Å; Y1563-T1797 VanDerWaalsContact OH-O 3.04Å; Y1563-P1798 HydrophobicContact CE2-CB 4.33Å; Y1563-P1798 WeakPolarHBondContact OH-CA 3.41Å; Y1563-V1801 HydrophobicContact CE1-CG1 4.46Å |
| 1564 | V | 77.5 | Confident | 71.8 | Confident | 21.6 Ų | 21.6 | 60.6 Ų | 60.6 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | Y1159 L1162 N1163 I1166 Q1560 I1561 R1566 A1567 L1568 | Y1159-V1564 HydrophobicContact CD2-CB 4.47Å; Y1159-V1564 HydrophobicContact CD2-CG2 3.68Å; Y1159-V1564 HydrophobicContact CE2-CG2 4.46Å; Y1159-V1564 HydrophobicContact CG-CG2 4.35Å; L1162-V1564 HydrophobicContact CB-CG1 4.3Å; L1162-V1564 HydrophobicContact CB-CG2 3.94Å; N1163-V1564 HydrophobicContact CB-CG2 4.46Å; I1166-V1564 HydrophobicContact CD1-CG1 4.07Å; Q1560-V1564 WeakPolarHBondContact O-CG2 3.38Å; Q1560-V1564 PolarHBondContact O-N 2.95Å; I1561-V1564 WeakPolarHBondContact O-CB 3.39Å; I1561-V1564 PolarHBondContact O-N 3.03Å; I1561-V1564 VanDerWaalsContact O-N 3.11Å; V1564-R1566 VanDerWaalsContact C-N 3.35Å; V1564-R1566 PolarHBondContact O-N 3.22Å; V1564-A1567 CarbonylContact O-C 3.59Å; V1564-A1567 PolarHBondContact O-N 3Å; V1564-L1568 HydrophobicContact CG1-CD1 3.92Å; V1564-L1568 HydrophobicContact CG1-CG 4.39Å; V1564-L1568 VanDerWaalsContact O-CG 3.27Å; V1564-L1568 WeakPolarHBondContact O-CG 3.27Å; V1564-L1568 PolarHBondContact O-N 3.03Å |
| 1565 | V | 77.5 | Confident | 70.3 | Confident | 65.6 Ų | 65.6 | 63.7 Ų | 63.7 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | I1561 Q1562 L1568 F1569 | I1561-V1565 HydrophobicContact CG2-CG2 4.27Å; I1561-V1565 WeakPolarHBondContact O-CB 3.35Å; I1561-V1565 VanDerWaalsContact O-CG2 3.29Å; I1561-V1565 WeakPolarHBondContact O-CG2 3.28Å; I1561-V1565 PolarHBondContact O-N 3.11Å; Q1562-V1565 PolarHBondContact O-N 3.22Å; V1565-L1568 PolarHBondContact O-N 3.1Å; V1565-F1569 HydrophobicContact CG1-CD2 3.78Å; V1565-F1569 HydrophobicContact CG1-CE2 3.52Å; V1565-F1569 VanDerWaalsContact CG1-CE2 3.49Å; V1565-F1569 VanDerWaalsContact O-CD2 3.24Å; V1565-F1569 WeakPolarHBondContact O-CD2 3.44Å; V1565-F1569 PolarHBondContact O-N 3.17Å; V1565-F1569 VanDerWaalsContact O-N 3.16Å |
| 1566 | R | 75.4 | Confident | 69 | Low | 114.2 Ų | 114.2 | 67.1 Ų | 67.1 | 43% | 0.431 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 173.5 | -77.6 | 178.8 | 174.4 | 132.2 | 0.4 | 112 | Q1562 Y1563 V1564 L1568 F1569 D1570 | Q1562-R1566 VanDerWaalsContact CD-NH1 3.29Å; Q1562-R1566 VanDerWaalsContact CD-NH2 3.31Å; Q1562-R1566 WeakPolarHBondContact O-CB 3.23Å; Q1562-R1566 WeakPolarHBondContact O-CG 3.4Å; Q1562-R1566 PolarHBondContact O-N 3.1Å; Q1562-R1566 VanDerWaalsContact OE1-CZ 3.3Å; Q1562-R1566 VanDerWaalsContact OE1-NH1 3.13Å; Q1562-R1566 VanDerWaalsContact OE1-NH2 3.12Å; Y1563-R1566 PolarHBondContact O-N 3.3Å; V1564-R1566 VanDerWaalsContact C-N 3.35Å; V1564-R1566 PolarHBondContact O-N 3.22Å; R1566-L1568 PolarHBondContact O-N 3.07Å; R1566-F1569 PolarHBondContact O-N 2.97Å; R1566-F1569 VanDerWaalsContact O-N 3.13Å; R1566-D1570 PolarHBondContact O-N 2.98Å |
| 1567 | A | 71.9 | Confident | 67.9 | Low | 18.2 Ų | 18.2 | 74.9 Ų | 74.9 | 15% | 0.15 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -25.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1159 Y1563 V1564 K1571 | Y1159-A1567 HydrophobicContact CE2-CB 3.92Å; Y1563-A1567 VanDerWaalsContact O-CB 3.28Å; Y1563-A1567 WeakPolarHBondContact O-CB 3.34Å; Y1563-A1567 PolarHBondContact O-N 2.86Å; V1564-A1567 CarbonylContact O-C 3.59Å; V1564-A1567 PolarHBondContact O-N 3Å; A1567-K1571 VanDerWaalsContact O-CB 3.28Å; A1567-K1571 WeakPolarHBondContact O-CB 3.25Å; A1567-K1571 VanDerWaalsContact O-CD 3.31Å; A1567-K1571 WeakPolarHBondContact O-CD 3.34Å; A1567-K1571 WeakPolarHBondContact O-CG 3.31Å; A1567-K1571 PolarHBondContact O-N 3.09Å; A1567-K1571 VanDerWaalsContact O-N 3.09Å |
| 1568 | L | 71 | Confident | 66.4 | Low | 37.8 Ų | 37.8 | 76.9 Ų | 76.9 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.5 | -46.5 | 171.9 | -67.9 | 169.6 | 0 | 0 | 0 | 111.3 | I1166 A1167 V1564 V1565 R1566 D1570 K1571 D1572 | I1166-L1568 HydrophobicContact CB-CD1 4.06Å; I1166-L1568 HydrophobicContact CB-CD2 4.17Å; I1166-L1568 HydrophobicContact CD1-CD1 4.21Å; I1166-L1568 HydrophobicContact CG2-CD1 3.59Å; I1166-L1568 HydrophobicContact CG2-CD2 4Å; I1166-L1568 HydrophobicContact CG2-CG 4.47Å; A1167-L1568 HydrophobicContact CB-CD2 3.96Å; V1564-L1568 HydrophobicContact CG1-CD1 3.92Å; V1564-L1568 HydrophobicContact CG1-CG 4.39Å; V1564-L1568 VanDerWaalsContact O-CG 3.27Å; V1564-L1568 WeakPolarHBondContact O-CG 3.27Å; V1564-L1568 PolarHBondContact O-N 3.03Å; V1565-L1568 PolarHBondContact O-N 3.1Å; R1566-L1568 PolarHBondContact O-N 3.07Å; L1568-D1570 PolarHBondContact O-N 3.06Å; L1568-K1571 CarbonylContact O-C 3.57Å; L1568-K1571 WeakPolarHBondContact O-CA 3.44Å; L1568-K1571 WeakPolarHBondContact O-CB 3.44Å; L1568-K1571 PolarHBondContact O-N 3.12Å; L1568-K1571 VanDerWaalsContact O-N 3.14Å; L1568-D1572 PolarHBondContact O-N 3.12Å |
| 1569 | F | 70.6 | Confident | 64.8 | Low | 143.2 Ų | 143.2 | 75.6 Ų | 75.6 | 63% | 0.628 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 176.3 | -76.2 | -59.8 | 0 | 0 | 0 | 113.4 | V1565 R1566 K1571 D1572 A1573 | V1565-F1569 HydrophobicContact CG1-CD2 3.78Å; V1565-F1569 HydrophobicContact CG1-CE2 3.52Å; V1565-F1569 VanDerWaalsContact CG1-CE2 3.49Å; V1565-F1569 VanDerWaalsContact O-CD2 3.24Å; V1565-F1569 WeakPolarHBondContact O-CD2 3.44Å; V1565-F1569 PolarHBondContact O-N 3.17Å; V1565-F1569 VanDerWaalsContact O-N 3.16Å; R1566-F1569 PolarHBondContact O-N 2.97Å; R1566-F1569 VanDerWaalsContact O-N 3.13Å; F1569-K1571 VanDerWaalsContact C-N 3.27Å; F1569-K1571 PolarHBondContact O-N 3.21Å; F1569-D1572 PolarHBondContact O-N 2.86Å; F1569-A1573 PolarHBondContact O-N 3.43Å; F1569-A1573 VanDerWaalsContact O-N 3.1Å |
| 1570 | D | 65.6 | Low | 63.4 | Low | 109.6 Ų | 109.6 | 79.5 Ų | 79.5 | 59% | 0.586 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.5 | -30.1 | 175.1 | -75.7 | -29.4 | 0 | 0 | 0 | 111.9 | R1566 L1568 A1573 H1574 | R1566-D1570 PolarHBondContact O-N 2.98Å; L1568-D1570 PolarHBondContact O-N 3.06Å; D1570-A1573 PolarHBondContact O-N 3.02Å; D1570-H1574 WeakPolarHBondContact O-CB 3.34Å; D1570-H1574 PolarHBondContact O-N 2.98Å |
| 1571 | K | 58.4 | Low | 61.9 | Low | 76 Ų | 76 | 82.4 Ų | 82.4 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.5 | -35.4 | 179.3 | -84.6 | 175.2 | -179.1 | 179.8 | 0 | 113.2 | E958 N1163 A1167 A1567 L1568 F1569 A1573 H1574 Y1575 | E958-K1571 IonicContact OE1-NZ 2.69Å; N1163-K1571 PolarHBondContact ND2-NZ 3.08Å; N1163-K1571 PolarHBondContact OD1-NZ 3.1Å; A1167-K1571 HydrophobicContact CB-CD 4.2Å; A1567-K1571 VanDerWaalsContact O-CB 3.28Å; A1567-K1571 WeakPolarHBondContact O-CB 3.25Å; A1567-K1571 VanDerWaalsContact O-CD 3.31Å; A1567-K1571 WeakPolarHBondContact O-CD 3.34Å; A1567-K1571 WeakPolarHBondContact O-CG 3.31Å; A1567-K1571 PolarHBondContact O-N 3.09Å; A1567-K1571 VanDerWaalsContact O-N 3.09Å; L1568-K1571 CarbonylContact O-C 3.57Å; L1568-K1571 WeakPolarHBondContact O-CA 3.44Å; L1568-K1571 WeakPolarHBondContact O-CB 3.44Å; L1568-K1571 PolarHBondContact O-N 3.12Å; L1568-K1571 VanDerWaalsContact O-N 3.14Å; F1569-K1571 VanDerWaalsContact C-N 3.27Å; F1569-K1571 PolarHBondContact O-N 3.21Å; K1571-A1573 VanDerWaalsContact C-N 3.35Å; K1571-A1573 PolarHBondContact O-N 2.87Å; K1571-H1574 CarbonylContact O-C 3.58Å; K1571-H1574 WeakPolarHBondContact O-CA 3.32Å; K1571-H1574 WeakPolarHBondContact O-CB 3.41Å; K1571-H1574 PolarHBondContact O-N 2.83Å; K1571-H1574 VanDerWaalsContact O-N 3.12Å; K1571-Y1575 HydrophobicContact CB-CD2 3.92Å; K1571-Y1575 HydrophobicContact CB-CE2 3.62Å; K1571-Y1575 VanDerWaalsContact CB-CE2 3.48Å; K1571-Y1575 HydrophobicContact CD-CE2 4.01Å; K1571-Y1575 HydrophobicContact CG-CD2 4.38Å; K1571-Y1575 HydrophobicContact CG-CE2 3.95Å; K1571-Y1575 VanDerWaalsContact O-CB 3.31Å; K1571-Y1575 WeakPolarHBondContact O-CB 3.33Å; K1571-Y1575 WeakPolarHBondContact O-CD2 3.25Å; K1571-Y1575 VanDerWaalsContact O-CG 3.25Å; K1571-Y1575 PolarHBondContact O-N 2.97Å |
| 1572 | D | 56.2 | Low | 60.1 | Low | 70.4 Ų | 70.4 | 80.5 Ų | 80.5 | 38% | 0.376 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 178 | -73.1 | -34.7 | 0 | 0 | 0 | 111.2 | Q1170 L1568 F1569 H1574 Y1575 D1576 | Q1170-D1572 PolarHBondContact NE2-OD1 3.05Å; Q1170-D1572 PolarHBondContact NE2-OD2 2.92Å; L1568-D1572 PolarHBondContact O-N 3.12Å; F1569-D1572 PolarHBondContact O-N 2.86Å; D1572-H1574 VanDerWaalsContact C-N 3.3Å; D1572-H1574 PolarHBondContact O-N 3.06Å; D1572-H1574 VanDerWaalsContact O-N 3.09Å; D1572-Y1575 WeakPolarHBondContact O-CA 3.42Å; D1572-Y1575 PolarHBondContact O-N 3.28Å; D1572-Y1575 VanDerWaalsContact O-N 3.11Å; D1572-D1576 PolarHBondContact O-N 3.12Å; D1572-D1576 VanDerWaalsContact O-N 3.12Å |
| 1573 | A | 52.5 | Low | 58.5 | Low | 63.8 Ų | 63.8 | 79 Ų | 79 | 53% | 0.527 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.5 | -24.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1569 D1570 K1571 R1577 | F1569-A1573 PolarHBondContact O-N 3.43Å; F1569-A1573 VanDerWaalsContact O-N 3.1Å; D1570-A1573 PolarHBondContact O-N 3.02Å; K1571-A1573 VanDerWaalsContact C-N 3.35Å; K1571-A1573 PolarHBondContact O-N 2.87Å; A1573-R1577 VanDerWaalsContact O-CG 3.28Å; A1573-R1577 WeakPolarHBondContact O-CG 3.3Å; A1573-R1577 PolarHBondContact O-N 3.09Å; A1573-R1577 PolarHBondContact O-NE 3.17Å |
| 1574 | H | 48.8 | Very low | 57.2 | Low | 107.8 Ų | 107.8 | 80.1 Ų | 80.1 | 50% | 0.499 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -86.7 | -35.5 | 175.7 | -166.2 | -10.7 | 0 | 0 | 0 | 112.3 | D1570 K1571 D1572 R1577 I1578 | D1570-H1574 WeakPolarHBondContact O-CB 3.34Å; D1570-H1574 PolarHBondContact O-N 2.98Å; K1571-H1574 CarbonylContact O-C 3.58Å; K1571-H1574 WeakPolarHBondContact O-CA 3.32Å; K1571-H1574 WeakPolarHBondContact O-CB 3.41Å; K1571-H1574 PolarHBondContact O-N 2.83Å; K1571-H1574 VanDerWaalsContact O-N 3.12Å; D1572-H1574 VanDerWaalsContact C-N 3.3Å; D1572-H1574 PolarHBondContact O-N 3.06Å; D1572-H1574 VanDerWaalsContact O-N 3.09Å; H1574-R1577 PolarHBondContact O-N 3.06Å; H1574-I1578 WeakPolarHBondContact CE1-CD1 3.33Å; H1574-I1578 WeakPolarHBondContact CE1-CG1 3.47Å; H1574-I1578 VanDerWaalsContact ND1-CD1 3.3Å; H1574-I1578 WeakPolarHBondContact ND1-CD1 3.34Å; H1574-I1578 VanDerWaalsContact ND1-CG1 3.26Å; H1574-I1578 WeakPolarHBondContact ND1-CG1 3.42Å; H1574-I1578 WeakPolarHBondContact NE2-CD1 3.47Å; H1574-I1578 WeakPolarHBondContact O-CB 3.24Å; H1574-I1578 VanDerWaalsContact O-CG1 3.31Å; H1574-I1578 WeakPolarHBondContact O-CG1 3.26Å; H1574-I1578 PolarHBondContact O-N 3.08Å; H1574-I1578 VanDerWaalsContact O-N 3.13Å |
| 1575 | Y | 50.5 | Low | 55.7 | Low | 70.8 Ų | 70.8 | 82.6 Ų | 82.6 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | -178.2 | -127.6 | -79.5 | 0 | 0 | 0 | 111.8 | F780 Q1171 S1174 R1175 K1571 D1572 R1577 I1578 V1579 | F780-Y1575 HydrophobicContact CD2-CD2 4.08Å; F780-Y1575 HydrophobicContact CD2-CE2 4.35Å; F780-Y1575 HydrophobicContact CE2-CD2 4.06Å; Q1171-Y1575 HydrophobicContact CB-CE2 4.3Å; Q1171-Y1575 HydrophobicContact CG-CE2 4Å; Q1171-Y1575 PolarHBondContact O-OH 3.08Å; S1174-Y1575 WeakPolarHBondContact CB-OH 3.19Å; S1174-Y1575 WeakPolarHBondContact OG-CE1 3.06Å; R1175-Y1575 VanDerWaalsContact CG-OH 3.26Å; R1175-Y1575 WeakPolarHBondContact CG-OH 3.34Å; R1175-Y1575 PolarHBondContact N-OH 3.05Å; R1175-Y1575 VanDerWaalsContact N-OH 3.16Å; R1175-Y1575 PolarHBondContact NE-OH 2.97Å; K1571-Y1575 HydrophobicContact CB-CD2 3.92Å; K1571-Y1575 HydrophobicContact CB-CE2 3.62Å; K1571-Y1575 VanDerWaalsContact CB-CE2 3.48Å; K1571-Y1575 HydrophobicContact CD-CE2 4.01Å; K1571-Y1575 HydrophobicContact CG-CD2 4.38Å; K1571-Y1575 HydrophobicContact CG-CE2 3.95Å; K1571-Y1575 VanDerWaalsContact O-CB 3.31Å; K1571-Y1575 WeakPolarHBondContact O-CB 3.33Å; K1571-Y1575 WeakPolarHBondContact O-CD2 3.25Å; K1571-Y1575 VanDerWaalsContact O-CG 3.25Å; K1571-Y1575 PolarHBondContact O-N 2.97Å; D1572-Y1575 WeakPolarHBondContact O-CA 3.42Å; D1572-Y1575 PolarHBondContact O-N 3.28Å; D1572-Y1575 VanDerWaalsContact O-N 3.11Å; Y1575-R1577 VanDerWaalsContact C-N 3.29Å; Y1575-R1577 PolarHBondContact O-N 3.1Å; Y1575-R1577 VanDerWaalsContact O-N 3.1Å; Y1575-I1578 CarbonylContact O-C 3.56Å; Y1575-I1578 PolarHBondContact O-N 3.09Å; Y1575-I1578 VanDerWaalsContact O-N 3.08Å; Y1575-V1579 HydrophobicContact CD1-CG2 4.13Å; Y1575-V1579 HydrophobicContact CD2-CG2 3.74Å; Y1575-V1579 HydrophobicContact CE1-CG2 3.67Å; Y1575-V1579 HydrophobicContact CE2-CG2 3.77Å; Y1575-V1579 HydrophobicContact CG-CG2 4.32Å; Y1575-V1579 VanDerWaalsContact O-CB 3.3Å; Y1575-V1579 WeakPolarHBondContact O-CB 3.37Å; Y1575-V1579 VanDerWaalsContact O-CG2 3.3Å; Y1575-V1579 WeakPolarHBondContact O-CG2 3.33Å; Y1575-V1579 PolarHBondContact O-N 2.96Å |
| 1576 | D | 49.9 | Very low | 53.9 | Low | 112.6 Ų | 112.6 | 83.9 Ų | 83.9 | 60% | 0.602 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -54.2 | -44.7 | 176.1 | -72.3 | -17.3 | 0 | 0 | 0 | 111.3 | D1572 I1578 V1579 E1580 | D1572-D1576 PolarHBondContact O-N 3.12Å; D1572-D1576 VanDerWaalsContact O-N 3.12Å; D1576-I1578 VanDerWaalsContact C-N 3.32Å; D1576-I1578 PolarHBondContact O-N 3.08Å; D1576-V1579 PolarHBondContact O-N 2.92Å; D1576-E1580 VanDerWaalsContact O-CB 3.27Å; D1576-E1580 WeakPolarHBondContact O-CB 3.29Å; D1576-E1580 PolarHBondContact O-N 3.01Å; D1576-E1580 VanDerWaalsContact O-N 3.13Å |
| 1577 | R | 50.5 | Low | 52.4 | Low | 184.2 Ų | 184.2 | 83.3 Ų | 83.3 | 70% | 0.695 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.4 | -35.5 | 176.7 | -68.8 | -178.9 | -179.6 | -172.4 | 0.6 | 113.5 | A1573 H1574 Y1575 N1581 | A1573-R1577 VanDerWaalsContact O-CG 3.28Å; A1573-R1577 WeakPolarHBondContact O-CG 3.3Å; A1573-R1577 PolarHBondContact O-N 3.09Å; A1573-R1577 PolarHBondContact O-NE 3.17Å; H1574-R1577 PolarHBondContact O-N 3.06Å; Y1575-R1577 VanDerWaalsContact C-N 3.29Å; Y1575-R1577 PolarHBondContact O-N 3.1Å; Y1575-R1577 VanDerWaalsContact O-N 3.1Å; R1577-N1581 WeakPolarHBondContact O-CB 3.37Å; R1577-N1581 PolarHBondContact O-N 3.16Å; R1577-N1581 VanDerWaalsContact O-N 3.1Å; R1577-N1581 PolarHBondContact O-ND2 3.14Å; R1577-N1581 VanDerWaalsContact O-ND2 3.16Å |
| 1578 | I | 48.7 | Very low | 51.1 | Low | 59.6 Ų | 59.6 | 88 Ų | 88 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.4 | -41.4 | 176.8 | -73.2 | 175.7 | 0 | 0 | 0 | 110.3 | F780 H1574 Y1575 D1576 E1580 N1581 S1582 | F780-I1578 HydrophobicContact CD2-CB 4.13Å; F780-I1578 HydrophobicContact CD2-CD1 4.02Å; F780-I1578 HydrophobicContact CD2-CG2 3.52Å; F780-I1578 HydrophobicContact CE2-CB 3.89Å; F780-I1578 HydrophobicContact CE2-CD1 3.34Å; F780-I1578 HydrophobicContact CE2-CG1 4.16Å; F780-I1578 HydrophobicContact CE2-CG2 3.8Å; F780-I1578 HydrophobicContact CZ-CD1 3.72Å; H1574-I1578 WeakPolarHBondContact CE1-CD1 3.33Å; H1574-I1578 WeakPolarHBondContact CE1-CG1 3.47Å; H1574-I1578 VanDerWaalsContact ND1-CD1 3.3Å; H1574-I1578 WeakPolarHBondContact ND1-CD1 3.34Å; H1574-I1578 VanDerWaalsContact ND1-CG1 3.26Å; H1574-I1578 WeakPolarHBondContact ND1-CG1 3.42Å; H1574-I1578 WeakPolarHBondContact NE2-CD1 3.47Å; H1574-I1578 WeakPolarHBondContact O-CB 3.24Å; H1574-I1578 VanDerWaalsContact O-CG1 3.31Å; H1574-I1578 WeakPolarHBondContact O-CG1 3.26Å; H1574-I1578 PolarHBondContact O-N 3.08Å; H1574-I1578 VanDerWaalsContact O-N 3.13Å; Y1575-I1578 CarbonylContact O-C 3.56Å; Y1575-I1578 PolarHBondContact O-N 3.09Å; Y1575-I1578 VanDerWaalsContact O-N 3.08Å; D1576-I1578 VanDerWaalsContact C-N 3.32Å; D1576-I1578 PolarHBondContact O-N 3.08Å; I1578-E1580 VanDerWaalsContact C-N 3.35Å; I1578-E1580 PolarHBondContact O-N 3.24Å; I1578-N1581 WeakPolarHBondContact O-CB 3.45Å; I1578-N1581 PolarHBondContact O-N 3Å; I1578-N1581 VanDerWaalsContact O-N 3.13Å; I1578-S1582 VanDerWaalsContact CG2-OG 3.24Å; I1578-S1582 WeakPolarHBondContact CG2-OG 3.39Å; I1578-S1582 WeakPolarHBondContact O-CA 3.24Å; I1578-S1582 VanDerWaalsContact O-CB 3.28Å; I1578-S1582 WeakPolarHBondContact O-CB 3.35Å; I1578-S1582 PolarHBondContact O-N 2.99Å; I1578-S1582 VanDerWaalsContact O-N 3.1Å; I1578-S1582 PolarHBondContact O-OG 3.11Å |
| 1579 | V | 47.6 | Very low | 49.6 | Very low | 36.8 Ų | 36.8 | 90.9 Ų | 90.9 | 22% | 0.223 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | -180 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | R1175 E1178 Y1575 D1576 N1581 S1582 V1583 | R1175-V1579 HydrophobicContact CG-CG1 4.41Å; E1178-V1579 WeakPolarHBondContact OE2-CG1 3.34Å; Y1575-V1579 HydrophobicContact CD1-CG2 4.13Å; Y1575-V1579 HydrophobicContact CD2-CG2 3.74Å; Y1575-V1579 HydrophobicContact CE1-CG2 3.67Å; Y1575-V1579 HydrophobicContact CE2-CG2 3.77Å; Y1575-V1579 HydrophobicContact CG-CG2 4.32Å; Y1575-V1579 VanDerWaalsContact O-CB 3.3Å; Y1575-V1579 WeakPolarHBondContact O-CB 3.37Å; Y1575-V1579 VanDerWaalsContact O-CG2 3.3Å; Y1575-V1579 WeakPolarHBondContact O-CG2 3.33Å; Y1575-V1579 PolarHBondContact O-N 2.96Å; D1576-V1579 PolarHBondContact O-N 2.92Å; V1579-N1581 VanDerWaalsContact C-N 3.33Å; V1579-N1581 PolarHBondContact O-N 3.15Å; V1579-N1581 VanDerWaalsContact O-N 3.13Å; V1579-S1582 WeakPolarHBondContact CA-OG 3.28Å; V1579-S1582 PolarHBondContact O-N 3.08Å; V1579-S1582 PolarHBondContact O-OG 3.27Å; V1579-V1583 HydrophobicContact CG1-CG2 4.03Å; V1579-V1583 VanDerWaalsContact O-CB 3.29Å; V1579-V1583 WeakPolarHBondContact O-CB 3.37Å; V1579-V1583 VanDerWaalsContact O-CG2 3.26Å; V1579-V1583 WeakPolarHBondContact O-CG2 3.34Å; V1579-V1583 PolarHBondContact O-N 3.25Å |
| 1580 | E | 47.7 | Very low | 48 | Very low | 109 Ų | 109 | 89.3 Ų | 89.3 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 176 | -153 | -154.8 | 161 | 0 | 0 | 112 | D1576 I1578 K1584 | D1576-E1580 VanDerWaalsContact O-CB 3.27Å; D1576-E1580 WeakPolarHBondContact O-CB 3.29Å; D1576-E1580 PolarHBondContact O-N 3.01Å; D1576-E1580 VanDerWaalsContact O-N 3.13Å; I1578-E1580 VanDerWaalsContact C-N 3.35Å; I1578-E1580 PolarHBondContact O-N 3.24Å; E1580-K1584 VanDerWaalsContact CD-NZ 3.3Å; E1580-K1584 WeakPolarHBondContact O-CB 3.37Å; E1580-K1584 WeakPolarHBondContact O-CD 3.46Å; E1580-K1584 VanDerWaalsContact O-CE 3.31Å; E1580-K1584 WeakPolarHBondContact O-CE 3.32Å; E1580-K1584 VanDerWaalsContact O-CG 3.23Å; E1580-K1584 WeakPolarHBondContact O-CG 3.41Å; E1580-K1584 PolarHBondContact O-N 3.29Å; E1580-K1584 VanDerWaalsContact OE1-CE 3.28Å; E1580-K1584 WeakPolarHBondContact OE1-CE 3.15Å; E1580-K1584 IonicContact OE1-NZ 3.12Å; E1580-K1584 PolarHBondContact OE1-NZ 3.02Å; E1580-K1584 IonicContact OE2-NZ 3.3Å; E1580-K1584 PolarHBondContact OE2-NZ 2.97Å |
| 1581 | N | 46.9 | Very low | 46.7 | Very low | 92.2 Ų | 92.2 | 87.4 Ų | 87.4 | 49% | 0.493 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -77 | -39.7 | 176.3 | -73.3 | -41.9 | 0 | 0 | 0 | 113 | R1577 I1578 V1579 K1584 V1585 | R1577-N1581 WeakPolarHBondContact O-CB 3.37Å; R1577-N1581 PolarHBondContact O-N 3.16Å; R1577-N1581 VanDerWaalsContact O-N 3.1Å; R1577-N1581 PolarHBondContact O-ND2 3.14Å; R1577-N1581 VanDerWaalsContact O-ND2 3.16Å; I1578-N1581 WeakPolarHBondContact O-CB 3.45Å; I1578-N1581 PolarHBondContact O-N 3Å; I1578-N1581 VanDerWaalsContact O-N 3.13Å; V1579-N1581 VanDerWaalsContact C-N 3.33Å; V1579-N1581 PolarHBondContact O-N 3.15Å; V1579-N1581 VanDerWaalsContact O-N 3.13Å; N1581-K1584 WeakPolarHBondContact O-CB 3.48Å; N1581-K1584 PolarHBondContact O-N 3.06Å; N1581-V1585 WeakPolarHBondContact O-CB 3.12Å; N1581-V1585 VanDerWaalsContact O-CG2 3.29Å; N1581-V1585 WeakPolarHBondContact O-CG2 3.35Å; N1581-V1585 PolarHBondContact O-N 3.04Å |
| 1582 | S | 42.9 | Very low | 45.7 | Very low | 37.2 Ų | 37.2 | 88.8 Ų | 88.8 | 26% | 0.26 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.3 | -34.3 | -180 | -19.5 | 0 | 0 | 0 | 0 | 111.8 | I1578 V1579 V1585 L1586 | I1578-S1582 VanDerWaalsContact CG2-OG 3.24Å; I1578-S1582 WeakPolarHBondContact CG2-OG 3.39Å; I1578-S1582 WeakPolarHBondContact O-CA 3.24Å; I1578-S1582 VanDerWaalsContact O-CB 3.28Å; I1578-S1582 WeakPolarHBondContact O-CB 3.35Å; I1578-S1582 PolarHBondContact O-N 2.99Å; I1578-S1582 VanDerWaalsContact O-N 3.1Å; I1578-S1582 PolarHBondContact O-OG 3.11Å; V1579-S1582 WeakPolarHBondContact CA-OG 3.28Å; V1579-S1582 PolarHBondContact O-N 3.08Å; V1579-S1582 PolarHBondContact O-OG 3.27Å; S1582-V1585 PolarHBondContact O-N 2.92Å; S1582-L1586 WeakPolarHBondContact O-CA 3.36Å; S1582-L1586 WeakPolarHBondContact O-CB 3.35Å; S1582-L1586 WeakPolarHBondContact O-CD1 3.35Å; S1582-L1586 VanDerWaalsContact O-CG 3.29Å; S1582-L1586 WeakPolarHBondContact O-CG 3.26Å; S1582-L1586 PolarHBondContact O-N 3.14Å |
| 1583 | V | 44.8 | Very low | 44.6 | Very low | 54.8 Ų | 54.8 | 92 Ų | 92 | 33% | 0.332 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 171.4 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | V1579 V1585 L1586 L1587 | V1579-V1583 HydrophobicContact CG1-CG2 4.03Å; V1579-V1583 VanDerWaalsContact O-CB 3.29Å; V1579-V1583 WeakPolarHBondContact O-CB 3.37Å; V1579-V1583 VanDerWaalsContact O-CG2 3.26Å; V1579-V1583 WeakPolarHBondContact O-CG2 3.34Å; V1579-V1583 PolarHBondContact O-N 3.25Å; V1583-V1585 VanDerWaalsContact C-N 3.35Å; V1583-V1585 PolarHBondContact O-N 3.32Å; V1583-L1586 PolarHBondContact O-N 3.01Å; V1583-L1587 HydrophobicContact CG1-CD1 3.73Å; V1583-L1587 HydrophobicContact CG1-CG 4.35Å; V1583-L1587 VanDerWaalsContact O-CB 3.24Å; V1583-L1587 WeakPolarHBondContact O-CB 3.33Å; V1583-L1587 WeakPolarHBondContact O-CD1 3.4Å; V1583-L1587 VanDerWaalsContact O-CG 3.27Å; V1583-L1587 WeakPolarHBondContact O-CG 3.39Å; V1583-L1587 PolarHBondContact O-N 3.23Å |
| 1584 | K | 47.3 | Very low | 43.8 | Very low | 97 Ų | 97 | 94.2 Ų | 94.2 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 172.5 | -74 | 167.2 | -171.6 | 165.9 | 0 | 112.3 | E1580 N1581 L1587 N1588 | E1580-K1584 VanDerWaalsContact CD-NZ 3.3Å; E1580-K1584 WeakPolarHBondContact O-CB 3.37Å; E1580-K1584 WeakPolarHBondContact O-CD 3.46Å; E1580-K1584 VanDerWaalsContact O-CE 3.31Å; E1580-K1584 WeakPolarHBondContact O-CE 3.32Å; E1580-K1584 VanDerWaalsContact O-CG 3.23Å; E1580-K1584 WeakPolarHBondContact O-CG 3.41Å; E1580-K1584 PolarHBondContact O-N 3.29Å; E1580-K1584 VanDerWaalsContact OE1-CE 3.28Å; E1580-K1584 WeakPolarHBondContact OE1-CE 3.15Å; E1580-K1584 IonicContact OE1-NZ 3.12Å; E1580-K1584 PolarHBondContact OE1-NZ 3.02Å; E1580-K1584 IonicContact OE2-NZ 3.3Å; E1580-K1584 PolarHBondContact OE2-NZ 2.97Å; N1581-K1584 WeakPolarHBondContact O-CB 3.48Å; N1581-K1584 PolarHBondContact O-N 3.06Å; K1584-L1587 PolarHBondContact O-N 2.9Å; K1584-N1588 VanDerWaalsContact O-CB 3.3Å; K1584-N1588 WeakPolarHBondContact O-CB 3.41Å; K1584-N1588 VanDerWaalsContact O-CG 3.32Å; K1584-N1588 PolarHBondContact O-N 3.09Å; K1584-N1588 VanDerWaalsContact O-N 3.17Å; K1584-N1588 PolarHBondContact O-ND2 2.99Å; K1584-N1588 PolarHBondContact O-OD1 3.19Å |
| 1585 | V | 45.2 | Very low | 43.1 | Very low | 73.8 Ų | 73.8 | 92.7 Ų | 92.7 | 45% | 0.447 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | N1581 S1582 V1583 N1588 N1589 | N1581-V1585 WeakPolarHBondContact O-CB 3.12Å; N1581-V1585 VanDerWaalsContact O-CG2 3.29Å; N1581-V1585 WeakPolarHBondContact O-CG2 3.35Å; N1581-V1585 PolarHBondContact O-N 3.04Å; S1582-V1585 PolarHBondContact O-N 2.92Å; V1583-V1585 VanDerWaalsContact C-N 3.35Å; V1583-V1585 PolarHBondContact O-N 3.32Å; V1585-N1588 PolarHBondContact O-N 3.34Å; V1585-N1589 WeakPolarHBondContact CG1-ND2 3.34Å; V1585-N1589 VanDerWaalsContact O-CB 3.26Å; V1585-N1589 WeakPolarHBondContact O-CB 3.35Å; V1585-N1589 VanDerWaalsContact O-CG 3.27Å; V1585-N1589 PolarHBondContact O-N 3.09Å; V1585-N1589 PolarHBondContact O-ND2 3.3Å; V1585-N1589 PolarHBondContact O-OD1 3.37Å |
| 1586 | L | 39.1 | Very low | 42.4 | Very low | 92 Ų | 92 | 93.9 Ų | 93.9 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.4 | -83.9 | 160.6 | 0 | 0 | 0 | 111.6 | S1582 V1583 N1588 N1589 L1590 | S1582-L1586 WeakPolarHBondContact O-CA 3.36Å; S1582-L1586 WeakPolarHBondContact O-CB 3.35Å; S1582-L1586 WeakPolarHBondContact O-CD1 3.35Å; S1582-L1586 VanDerWaalsContact O-CG 3.29Å; S1582-L1586 WeakPolarHBondContact O-CG 3.26Å; S1582-L1586 PolarHBondContact O-N 3.14Å; V1583-L1586 PolarHBondContact O-N 3.01Å; L1586-N1588 VanDerWaalsContact C-N 3.3Å; L1586-N1588 PolarHBondContact O-N 3.12Å; L1586-N1589 PolarHBondContact O-N 3Å; L1586-L1590 HydrophobicContact CB-CD1 4.32Å; L1586-L1590 HydrophobicContact CD2-CD1 3.65Å; L1586-L1590 HydrophobicContact CD2-CG 4.37Å; L1586-L1590 WeakPolarHBondContact O-CB 3.43Å; L1586-L1590 WeakPolarHBondContact O-CD1 3.34Å; L1586-L1590 WeakPolarHBondContact O-CG 3.36Å; L1586-L1590 PolarHBondContact O-N 3.04Å |
| 1587 | L | 43.7 | Very low | 41.7 | Very low | 103.2 Ų | 103.2 | 92.4 Ų | 92.4 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 175.9 | -74.1 | 167.9 | 0 | 0 | 0 | 112.3 | V1583 K1584 N1589 L1590 A1591 | V1583-L1587 HydrophobicContact CG1-CD1 3.73Å; V1583-L1587 HydrophobicContact CG1-CG 4.35Å; V1583-L1587 VanDerWaalsContact O-CB 3.24Å; V1583-L1587 WeakPolarHBondContact O-CB 3.33Å; V1583-L1587 WeakPolarHBondContact O-CD1 3.4Å; V1583-L1587 VanDerWaalsContact O-CG 3.27Å; V1583-L1587 WeakPolarHBondContact O-CG 3.39Å; V1583-L1587 PolarHBondContact O-N 3.23Å; K1584-L1587 PolarHBondContact O-N 2.9Å; L1587-N1589 VanDerWaalsContact C-N 3.31Å; L1587-N1589 PolarHBondContact O-N 2.95Å; L1587-L1590 PolarHBondContact O-N 2.86Å; L1587-A1591 WeakPolarHBondContact O-CB 3.37Å; L1587-A1591 PolarHBondContact O-N 3.15Å |
| 1588 | N | 44.8 | Very low | 40.8 | Very low | 115.4 Ų | 115.4 | 91.5 Ų | 91.5 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.4 | -36.3 | 175.3 | -75.2 | -12.7 | 0 | 0 | 0 | 112.7 | K1584 V1585 L1586 A1591 V1592 | K1584-N1588 VanDerWaalsContact O-CB 3.3Å; K1584-N1588 WeakPolarHBondContact O-CB 3.41Å; K1584-N1588 VanDerWaalsContact O-CG 3.32Å; K1584-N1588 PolarHBondContact O-N 3.09Å; K1584-N1588 VanDerWaalsContact O-N 3.17Å; K1584-N1588 PolarHBondContact O-ND2 2.99Å; K1584-N1588 PolarHBondContact O-OD1 3.19Å; V1585-N1588 PolarHBondContact O-N 3.34Å; L1586-N1588 VanDerWaalsContact C-N 3.3Å; L1586-N1588 PolarHBondContact O-N 3.12Å; N1588-A1591 WeakPolarHBondContact O-CB 3.34Å; N1588-A1591 PolarHBondContact O-N 2.82Å; N1588-V1592 PolarHBondContact O-N 2.98Å |
| 1589 | N | 40.5 | Very low | 40.2 | Very low | 99.4 Ų | 99.4 | 96.2 Ų | 96.2 | 53% | 0.532 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -82.1 | -28.7 | -179.5 | -68 | -6.4 | 0 | 0 | 0 | 112.8 | V1585 L1586 L1587 A1591 V1592 D1593 | V1585-N1589 WeakPolarHBondContact CG1-ND2 3.34Å; V1585-N1589 VanDerWaalsContact O-CB 3.26Å; V1585-N1589 WeakPolarHBondContact O-CB 3.35Å; V1585-N1589 VanDerWaalsContact O-CG 3.27Å; V1585-N1589 PolarHBondContact O-N 3.09Å; V1585-N1589 PolarHBondContact O-ND2 3.3Å; V1585-N1589 PolarHBondContact O-OD1 3.37Å; L1586-N1589 PolarHBondContact O-N 3Å; L1587-N1589 VanDerWaalsContact C-N 3.31Å; L1587-N1589 PolarHBondContact O-N 2.95Å; N1589-A1591 PolarHBondContact O-N 3.02Å; N1589-V1592 WeakPolarHBondContact O-CB 3.14Å; N1589-V1592 PolarHBondContact O-N 3.06Å; N1589-V1592 VanDerWaalsContact O-N 3.08Å; N1589-D1593 PolarHBondContact O-N 2.87Å |
| 1590 | L | 37.1 | Very low | 39.8 | Very low | 109.2 Ų | 109.2 | 100.3 Ų | 100.3 | 57% | 0.572 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -11.5 | 171.9 | -80.7 | 161.3 | 0 | 0 | 0 | 113.2 | L1586 L1587 V1592 D1593 T1594 | L1586-L1590 HydrophobicContact CB-CD1 4.32Å; L1586-L1590 HydrophobicContact CD2-CD1 3.65Å; L1586-L1590 HydrophobicContact CD2-CG 4.37Å; L1586-L1590 WeakPolarHBondContact O-CB 3.43Å; L1586-L1590 WeakPolarHBondContact O-CD1 3.34Å; L1586-L1590 WeakPolarHBondContact O-CG 3.36Å; L1586-L1590 PolarHBondContact O-N 3.04Å; L1587-L1590 PolarHBondContact O-N 2.86Å; L1590-V1592 VanDerWaalsContact C-N 3.28Å; L1590-V1592 PolarHBondContact O-N 2.93Å; L1590-D1593 PolarHBondContact O-N 3.15Å; L1590-T1594 PolarHBondContact O-N 2.78Å |
| 1591 | A | 38.2 | Very low | 39.3 | Very low | 70.4 Ų | 70.4 | 99.2 Ų | 99.2 | 58% | 0.582 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -10.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1587 N1588 N1589 D1593 T1594 | L1587-A1591 WeakPolarHBondContact O-CB 3.37Å; L1587-A1591 PolarHBondContact O-N 3.15Å; N1588-A1591 WeakPolarHBondContact O-CB 3.34Å; N1588-A1591 PolarHBondContact O-N 2.82Å; N1589-A1591 PolarHBondContact O-N 3.02Å; A1591-D1593 VanDerWaalsContact C-N 3.27Å; A1591-D1593 PolarHBondContact O-N 2.93Å; A1591-T1594 WeakPolarHBondContact CA-OG1 3.48Å; A1591-T1594 PolarHBondContact O-N 3.21Å; A1591-T1594 PolarHBondContact O-OG1 3.07Å |
| 1592 | V | 36.6 | Very low | 39.2 | Very low | 104.4 Ų | 104.4 | 99.6 Ų | 99.6 | 63% | 0.633 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -97.6 | -22.9 | -174.2 | -177.7 | 0 | 0 | 0 | 0 | 112.9 | N1588 N1589 L1590 T1594 A1595 | N1588-V1592 PolarHBondContact O-N 2.98Å; N1589-V1592 WeakPolarHBondContact O-CB 3.14Å; N1589-V1592 PolarHBondContact O-N 3.06Å; N1589-V1592 VanDerWaalsContact O-N 3.08Å; L1590-V1592 VanDerWaalsContact C-N 3.28Å; L1590-V1592 PolarHBondContact O-N 2.93Å; V1592-T1594 PolarHBondContact O-N 2.94Å; V1592-A1595 WeakPolarHBondContact O-CB 3.05Å; V1592-A1595 PolarHBondContact O-N 2.82Å |
| 1593 | D | 34.1 | Very low | 39.2 | Very low | 139.2 Ų | 139.2 | 103.1 Ų | 103.1 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | trans | -73.2 | 25.2 | 177.3 | -68.5 | -28.1 | 0 | 0 | 0 | 115.6 | N1589 L1590 A1591 A1595 | N1589-D1593 PolarHBondContact O-N 2.87Å; L1590-D1593 PolarHBondContact O-N 3.15Å; A1591-D1593 VanDerWaalsContact C-N 3.27Å; A1591-D1593 PolarHBondContact O-N 2.93Å; D1593-A1595 PolarHBondContact O-N 2.94Å | ||
| 1594 | T | 34 | Very low | 39.1 | Very low | 109.2 Ų | 109.2 | 103.9 Ų | 103.9 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -90 | 27.5 | 168.1 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | L1590 A1591 V1592 A1596 A1597 | L1590-T1594 PolarHBondContact O-N 2.78Å; A1591-T1594 WeakPolarHBondContact CA-OG1 3.48Å; A1591-T1594 PolarHBondContact O-N 3.21Å; A1591-T1594 PolarHBondContact O-OG1 3.07Å; V1592-T1594 PolarHBondContact O-N 2.94Å; T1594-A1596 PolarHBondContact O-N 2.82Å; T1594-A1597 WeakPolarHBondContact O-CA 3.45Å; T1594-A1597 WeakPolarHBondContact O-CB 3.28Å; T1594-A1597 PolarHBondContact O-N 3.07Å |
| 1595 | A | 33.9 | Very low | 39 | Very low | 76 Ų | 76 | 102.6 Ų | 102.6 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -1.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1592 D1593 A1597 E1598 | V1592-A1595 WeakPolarHBondContact O-CB 3.05Å; V1592-A1595 PolarHBondContact O-N 2.82Å; D1593-A1595 PolarHBondContact O-N 2.94Å; A1595-A1597 PolarHBondContact O-N 3Å; A1595-A1597 VanDerWaalsContact O-N 3.16Å; A1595-E1598 WeakPolarHBondContact O-CB 3.41Å; A1595-E1598 PolarHBondContact O-N 3.2Å |
| 1596 | A | 36.4 | Very low | 39 | Very low | 95.8 Ų | 95.8 | 107 Ų | 107 | 79% | 0.792 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 2.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1594 | T1594-A1596 PolarHBondContact O-N 2.82Š|
| 1597 | A | 35.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 108.4 Ų | 108.4 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | trans | -114.1 | 21.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1594 A1595 N1599 | T1594-A1597 WeakPolarHBondContact O-CA 3.45Å; T1594-A1597 WeakPolarHBondContact O-CB 3.28Å; T1594-A1597 PolarHBondContact O-N 3.07Å; A1595-A1597 PolarHBondContact O-N 3Å; A1595-A1597 VanDerWaalsContact O-N 3.16Å; A1597-N1599 VanDerWaalsContact C-N 3.3Å; A1597-N1599 PolarHBondContact O-N 2.83Å; A1597-N1599 VanDerWaalsContact O-N 3.1Å | ||
| 1598 | E | 30.6 | Very low | 39.7 | Very low | 164.4 Ų | 164.4 | 106.4 Ų | 106.4 | 77% | 0.768 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 61.4 | -178.5 | -69.1 | -174.1 | 154.5 | 0 | 0 | 113 | A1595 T1600 | A1595-E1598 WeakPolarHBondContact O-CB 3.41Å; A1595-E1598 PolarHBondContact O-N 3.2Å; E1598-T1600 PolarHBondContact O-N 3.16Å; E1598-T1600 VanDerWaalsContact O-N 3.08Å |
| 1599 | N | 36.5 | Very low | 39.9 | Very low | 159.6 Ų | 159.6 | 104.2 Ų | 104.2 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 22.5 | 169.7 | -85.3 | -43.4 | 0 | 0 | 0 | 115.6 | A1597 | A1597-N1599 VanDerWaalsContact C-N 3.3Å; A1597-N1599 PolarHBondContact O-N 2.83Å; A1597-N1599 VanDerWaalsContact O-N 3.1Å |
| 1600 | T | 39 | Very low | 40.4 | Very low | 122.2 Ų | 122.2 | 106.3 Ų | 106.3 | 75% | 0.75 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -147.4 | 113.1 | 157.2 | 29.4 | 0 | 0 | 0 | 0 | 111 | E1598 | E1598-T1600 PolarHBondContact O-N 3.16Å; E1598-T1600 VanDerWaalsContact O-N 3.08Å |
| 1601 | A | 37.5 | Very low | 41.5 | Very low | 86.2 Ų | 86.2 | 103.9 Ų | 103.9 | 71% | 0.712 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 156.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1603 | A1601-M1603 PolarHBondContact O-N 3.24Š|
| 1602 | P | 44.4 | Very low | 42.6 | Very low | 99.8 Ų | 99.8 | 105.3 Ų | 105.3 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -80 | 146.2 | -171.2 | 31.3 | -32.6 | 0 | 0 | 0 | 112.1 | I1261 S1604 | I1261-P1602 HydrophobicContact CD1-CB 4.17Å; I1261-P1602 HydrophobicContact CD1-CG 4.16Å; P1602-S1604 PolarHBondContact O-N 3.23Å |
| 1603 | M | 42.6 | Very low | 44 | Very low | 110.6 Ų | 110.6 | 104.1 Ų | 104.1 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -93.8 | 133 | 170.2 | -75.8 | -77.8 | -95.1 | 0 | 0 | 109.6 | P1257 A1601 Q1607 I1608 L1611 | P1257-M1603 HydrophobicContact CB-CG 4.39Å; A1601-M1603 PolarHBondContact O-N 3.24Å; M1603-Q1607 HydrophobicContact CB-CB 4.15Å; M1603-Q1607 HydrophobicContact CE-CB 3.64Å; M1603-Q1607 HydrophobicContact CE-CG 3.59Å; M1603-Q1607 WeakPolarHBondContact CE-O 3.25Å; M1603-Q1607 VanDerWaalsContact CE-OE1 3.23Å; M1603-Q1607 HydrophobicContact SD-CB 3.86Å; M1603-I1608 HydrophobicContact CB-CD1 4.35Å; M1603-I1608 HydrophobicContact CB-CG1 3.87Å; M1603-I1608 WeakPolarHBondContact O-CD1 3.47Å; M1603-L1611 HydrophobicContact CE-CD1 3.78Å |
| 1604 | S | 43.1 | Very low | 45.4 | Very low | 72 Ų | 72 | 98.2 Ų | 98.2 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -75 | 144.2 | -172 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | P1602 E1606 Q1607 I1608 | P1602-S1604 PolarHBondContact O-N 3.23Å; S1604-E1606 PolarHBondContact O-N 3.29Å; S1604-E1606 VanDerWaalsContact O-N 3.1Å; S1604-Q1607 CarbonylContact O-C 3.57Å; S1604-Q1607 WeakPolarHBondContact O-CA 3.23Å; S1604-Q1607 WeakPolarHBondContact O-CB 3.27Å; S1604-Q1607 PolarHBondContact O-N 3.04Å; S1604-Q1607 VanDerWaalsContact OG-CD 3.3Å; S1604-Q1607 VanDerWaalsContact OG-CG 3.3Å; S1604-Q1607 WeakPolarHBondContact OG-CG 3.28Å; S1604-Q1607 PolarHBondContact OG-N 3.33Å; S1604-Q1607 PolarHBondContact OG-OE1 2.93Å; S1604-I1608 WeakPolarHBondContact O-CG1 3.18Å; S1604-I1608 PolarHBondContact O-N 3.11Å |
| 1605 | S | 45 | Very low | 46.9 | Very low | 70.8 Ų | 70.8 | 95.9 Ų | 95.9 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -90.3 | -16.1 | 171.8 | -158.2 | 0 | 0 | 0 | 0 | 112.3 | Q1607 I1608 A1609 | S1605-Q1607 PolarHBondContact O-N 2.73Å; S1605-I1608 PolarHBondContact O-N 3.15Å; S1605-I1608 WeakPolarHBondContact OG-CD1 3.45Å; S1605-I1608 WeakPolarHBondContact OG-CG1 3.33Å; S1605-A1609 WeakPolarHBondContact O-CB 3.27Å; S1605-A1609 PolarHBondContact O-N 2.88Å |
| 1606 | E | 46 | Very low | 48.6 | Very low | 165.8 Ų | 165.8 | 97.4 Ų | 97.4 | 78% | 0.775 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.1 | -40.3 | 176.8 | -60.7 | -178.4 | 143 | 0 | 0 | 112.8 | S1604 A1609 L1610 | S1604-E1606 PolarHBondContact O-N 3.29Å; S1604-E1606 VanDerWaalsContact O-N 3.1Å; E1606-A1609 PolarHBondContact O-N 3.03Å; E1606-L1610 WeakPolarHBondContact O-CG 3.42Å; E1606-L1610 PolarHBondContact O-N 3.11Å |
| 1607 | Q | 49.3 | Very low | 50.1 | Low | 121.2 Ų | 121.2 | 93.5 Ų | 93.5 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.2 | -18.4 | 175.6 | -65 | 172.5 | -23 | 0 | 0 | 114.3 | M1603 S1604 S1605 A1609 L1610 L1611 | M1603-Q1607 HydrophobicContact CB-CB 4.15Å; M1603-Q1607 HydrophobicContact CE-CB 3.64Å; M1603-Q1607 HydrophobicContact CE-CG 3.59Å; M1603-Q1607 WeakPolarHBondContact CE-O 3.25Å; M1603-Q1607 VanDerWaalsContact CE-OE1 3.23Å; M1603-Q1607 HydrophobicContact SD-CB 3.86Å; S1604-Q1607 CarbonylContact O-C 3.57Å; S1604-Q1607 WeakPolarHBondContact O-CA 3.23Å; S1604-Q1607 WeakPolarHBondContact O-CB 3.27Å; S1604-Q1607 PolarHBondContact O-N 3.04Å; S1604-Q1607 VanDerWaalsContact OG-CD 3.3Å; S1604-Q1607 VanDerWaalsContact OG-CG 3.3Å; S1604-Q1607 WeakPolarHBondContact OG-CG 3.28Å; S1604-Q1607 PolarHBondContact OG-N 3.33Å; S1604-Q1607 PolarHBondContact OG-OE1 2.93Å; S1605-Q1607 PolarHBondContact O-N 2.73Å; Q1607-A1609 VanDerWaalsContact C-N 3.32Å; Q1607-A1609 PolarHBondContact O-N 2.98Å; Q1607-L1610 WeakPolarHBondContact O-CB 3.32Å; Q1607-L1610 PolarHBondContact O-N 2.83Å; Q1607-L1611 WeakPolarHBondContact O-CD1 3.3Å |
| 1608 | I | 49.3 | Very low | 51.7 | Low | 60 Ų | 60 | 92.8 Ų | 92.8 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81 | -19.6 | 171.1 | -61.9 | 172.9 | 0 | 0 | 0 | 110.9 | I1261 T1264 M1603 S1604 S1605 L1610 L1611 A1614 | I1261-I1608 HydrophobicContact CB-CD1 4.47Å; I1261-I1608 HydrophobicContact CD1-CG2 4.27Å; I1261-I1608 HydrophobicContact CG1-CB 4.47Å; I1261-I1608 HydrophobicContact CG1-CD1 3.92Å; I1261-I1608 HydrophobicContact CG1-CG1 3.76Å; I1261-I1608 HydrophobicContact CG1-CG2 3.93Å; I1261-I1608 HydrophobicContact CG2-CD1 3.97Å; T1264-I1608 HydrophobicContact CG2-CD1 3.77Å; T1264-I1608 VanDerWaalsContact OG1-CD1 3.26Å; T1264-I1608 WeakPolarHBondContact OG1-CD1 3.29Å; M1603-I1608 HydrophobicContact CB-CD1 4.35Å; M1603-I1608 HydrophobicContact CB-CG1 3.87Å; M1603-I1608 WeakPolarHBondContact O-CD1 3.47Å; S1604-I1608 WeakPolarHBondContact O-CG1 3.18Å; S1604-I1608 PolarHBondContact O-N 3.11Å; S1605-I1608 PolarHBondContact O-N 3.15Å; S1605-I1608 WeakPolarHBondContact OG-CD1 3.45Å; S1605-I1608 WeakPolarHBondContact OG-CG1 3.33Å; I1608-L1610 PolarHBondContact O-N 3.16Å; I1608-L1610 VanDerWaalsContact O-N 3.1Å; I1608-L1611 HydrophobicContact CG2-CD1 4.42Å; I1608-L1611 WeakPolarHBondContact O-CB 3.3Å; I1608-L1611 PolarHBondContact O-N 3Å; I1608-L1611 VanDerWaalsContact O-N 3.11Å; I1608-A1614 HydrophobicContact CG2-CB 4.41Å; I1608-A1614 VanDerWaalsContact O-CB 3.27Å; I1608-A1614 WeakPolarHBondContact O-CB 3.32Å |
| 1609 | A | 48 | Very low | 53.8 | Low | 69.6 Ų | 69.6 | 88.8 Ų | 88.8 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -76.9 | -12.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1605 E1606 Q1607 L1611 S1615 | S1605-A1609 WeakPolarHBondContact O-CB 3.27Å; S1605-A1609 PolarHBondContact O-N 2.88Å; E1606-A1609 PolarHBondContact O-N 3.03Å; Q1607-A1609 VanDerWaalsContact C-N 3.32Å; Q1607-A1609 PolarHBondContact O-N 2.98Å; A1609-L1611 VanDerWaalsContact C-N 3.3Å; A1609-L1611 PolarHBondContact O-N 2.9Å; A1609-S1615 WeakPolarHBondContact O-CB 3.32Å |
| 1610 | L | 51.1 | Low | 55.6 | Low | 143.6 Ų | 143.6 | 84 Ų | 84 | 75% | 0.752 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 3.4 | 179.9 | -84.4 | 161.4 | 0 | 0 | 0 | 114.1 | E1606 Q1607 I1608 P1612 | E1606-L1610 WeakPolarHBondContact O-CG 3.42Å; E1606-L1610 PolarHBondContact O-N 3.11Å; Q1607-L1610 WeakPolarHBondContact O-CB 3.32Å; Q1607-L1610 PolarHBondContact O-N 2.83Å; I1608-L1610 PolarHBondContact O-N 3.16Å; I1608-L1610 VanDerWaalsContact O-N 3.1Å; L1610-P1612 WeakPolarHBondContact O-CD 3.31Å |
| 1611 | L | 59.1 | Low | 57.1 | Low | 58.2 Ų | 58.2 | 79.9 Ų | 79.9 | 31% | 0.305 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -71.9 | 110.3 | 177.5 | -70.7 | 135.6 | 0 | 0 | 0 | 112.6 | P1257 I1258 M1603 Q1607 I1608 A1609 W1613 A1614 S1615 | P1257-L1611 HydrophobicContact CB-CD1 4.45Å; I1258-L1611 HydrophobicContact CD1-CD1 4.26Å; I1258-L1611 HydrophobicContact CG1-CD1 4.49Å; M1603-L1611 HydrophobicContact CE-CD1 3.78Å; Q1607-L1611 WeakPolarHBondContact O-CD1 3.3Å; I1608-L1611 HydrophobicContact CG2-CD1 4.42Å; I1608-L1611 WeakPolarHBondContact O-CB 3.3Å; I1608-L1611 PolarHBondContact O-N 3Å; I1608-L1611 VanDerWaalsContact O-N 3.11Å; A1609-L1611 VanDerWaalsContact C-N 3.3Å; A1609-L1611 PolarHBondContact O-N 2.9Å; L1611-W1613 VanDerWaalsContact C-N 3.33Å; L1611-W1613 HydrophobicContact CD1-CZ2 4.17Å; L1611-W1613 HydrophobicContact CD2-CZ2 3.95Å; L1611-W1613 PolarHBondContact O-N 2.91Å; L1611-A1614 HydrophobicContact CB-CB 4.05Å; L1611-A1614 HydrophobicContact CD2-CB 4.26Å; L1611-A1614 WeakPolarHBondContact O-CB 3.37Å; L1611-A1614 PolarHBondContact O-N 2.85Å; L1611-A1614 VanDerWaalsContact O-N 3.1Å; L1611-S1615 PolarHBondContact O-N 2.8Å; L1611-S1615 PolarHBondContact O-OG 3.13Å |
| 1612 | P | 61.4 | Low | 58.8 | Low | 99.8 Ų | 99.8 | 81.1 Ų | 81.1 | 65% | 0.648 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57.4 | -31.8 | 179 | -26.7 | 34.8 | 0 | 0 | 0 | 114.6 | L1610 A1614 S1615 R1616 | L1610-P1612 WeakPolarHBondContact O-CD 3.31Å; P1612-A1614 PolarHBondContact O-N 2.79Å; P1612-S1615 PolarHBondContact O-OG 2.88Å; P1612-S1615 VanDerWaalsContact O-OG 3.08Å; P1612-R1616 VanDerWaalsContact O-CB 3.29Å; P1612-R1616 WeakPolarHBondContact O-CB 3.41Å; P1612-R1616 PolarHBondContact O-N 3.04Å |
| 1613 | W | 66.7 | Low | 60.2 | Low | 80.2 Ų | 80.2 | 80.3 Ų | 80.3 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.4 | -33.1 | 177.6 | 72.6 | -97.2 | 0 | 0 | 0 | 112.7 | L1193 I1196 A1200 D1201 I1258 I1261 W1266 L1611 R1616 A1617 | L1193-W1613 HydrophobicContact CD2-CH2 4.37Å; I1196-W1613 HydrophobicContact CG2-CE3 4.1Å; I1196-W1613 HydrophobicContact CG2-CZ3 3.84Å; A1200-W1613 HydrophobicContact CB-CB 3.87Å; D1201-W1613 WeakPolarHBondContact OD1-CB 3.35Å; I1258-W1613 HydrophobicContact CD1-CZ2 3.79Å; I1258-W1613 HydrophobicContact CG1-CZ2 4.14Å; I1261-W1613 HydrophobicContact CD1-CH2 4.33Å; I1261-W1613 HydrophobicContact CD1-CZ2 4.07Å; W1266-W1613 HydrophobicContact CE3-CZ3 4.45Å; W1266-W1613 HydrophobicContact CH2-CH2 4.42Å; W1266-W1613 AromaticContact CH2-CZ3 3.86Å; W1266-W1613 HydrophobicContact CH2-CZ3 3.91Å; W1266-W1613 HydrophobicContact CZ3-CH2 4.35Å; W1266-W1613 AromaticContact CZ3-CZ3 3.84Å; W1266-W1613 HydrophobicContact CZ3-CZ3 3.92Å; L1611-W1613 VanDerWaalsContact C-N 3.33Å; L1611-W1613 HydrophobicContact CD1-CZ2 4.17Å; L1611-W1613 HydrophobicContact CD2-CZ2 3.95Å; L1611-W1613 PolarHBondContact O-N 2.91Å; W1613-R1616 PolarHBondContact O-N 3.01Å; W1613-A1617 HydrophobicContact CE3-CB 4.17Å; W1613-A1617 HydrophobicContact CZ3-CB 4.36Å; W1613-A1617 VanDerWaalsContact O-CB 3.27Å; W1613-A1617 WeakPolarHBondContact O-CB 3.37Å; W1613-A1617 PolarHBondContact O-N 3.07Å |
| 1614 | A | 64.1 | Low | 61.4 | Low | 14.2 Ų | 14.2 | 78.1 Ų | 78.1 | 12% | 0.117 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -74.6 | -41.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | W1266 I1608 L1611 P1612 R1616 A1617 N1618 | W1266-A1614 HydrophobicContact CH2-CB 4.21Å; W1266-A1614 HydrophobicContact CZ2-CB 3.88Å; I1608-A1614 HydrophobicContact CG2-CB 4.41Å; I1608-A1614 VanDerWaalsContact O-CB 3.27Å; I1608-A1614 WeakPolarHBondContact O-CB 3.32Å; L1611-A1614 HydrophobicContact CB-CB 4.05Å; L1611-A1614 HydrophobicContact CD2-CB 4.26Å; L1611-A1614 WeakPolarHBondContact O-CB 3.37Å; L1611-A1614 PolarHBondContact O-N 2.85Å; L1611-A1614 VanDerWaalsContact O-N 3.1Å; P1612-A1614 PolarHBondContact O-N 2.79Å; A1614-R1616 VanDerWaalsContact C-N 3.32Å; A1614-R1616 PolarHBondContact O-N 2.77Å; A1614-A1617 PolarHBondContact O-N 3.08Å; A1614-N1618 WeakPolarHBondContact O-CB 3.4Å; A1614-N1618 PolarHBondContact O-N 3Å; A1614-N1618 PolarHBondContact O-ND2 2.97Å |
| 1615 | S | 65.9 | Low | 62.7 | Low | 61.8 Ų | 61.8 | 81.4 Ų | 81.4 | 43% | 0.432 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 171.3 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | A1609 L1611 P1612 A1617 N1618 T1619 | A1609-S1615 WeakPolarHBondContact O-CB 3.32Å; L1611-S1615 PolarHBondContact O-N 2.8Å; L1611-S1615 PolarHBondContact O-OG 3.13Å; P1612-S1615 PolarHBondContact O-OG 2.88Å; P1612-S1615 VanDerWaalsContact O-OG 3.08Å; S1615-A1617 PolarHBondContact O-N 2.97Å; S1615-N1618 PolarHBondContact O-N 2.82Å; S1615-N1618 VanDerWaalsContact O-N 3.11Å; S1615-T1619 PolarHBondContact O-N 2.92Å; S1615-T1619 PolarHBondContact O-OG1 3.21Å; S1615-T1619 VanDerWaalsContact O-OG1 3.04Å |
| 1616 | R | 68.3 | Low | 64 | Low | 107.8 Ų | 107.8 | 87.4 Ų | 87.4 | 41% | 0.407 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 177.2 | -162.2 | 177.6 | -167.3 | 152.8 | 5.6 | 112.4 | A1200 D1204 Y1405 P1612 W1613 A1614 N1618 T1619 I1620 | A1200-R1616 WeakPolarHBondContact O-CD 3.4Å; A1200-R1616 PolarHBondContact O-NH1 3.21Å; D1204-R1616 VanDerWaalsContact CG-NH2 3.29Å; D1204-R1616 IonicContact OD1-CZ 3.12Å; D1204-R1616 IonicContact OD1-NH1 3.41Å; D1204-R1616 PolarHBondContact OD1-NH1 3.09Å; D1204-R1616 VanDerWaalsContact OD1-NH1 3.15Å; D1204-R1616 IonicContact OD1-NH2 2.81Å; D1204-R1616 PolarHBondContact OD1-NH2 2.86Å; D1204-R1616 IonicContact OD2-CZ 2.61Å; D1204-R1616 VanDerWaalsContact OD2-CZ 3.27Å; D1204-R1616 IonicContact OD2-NH1 3.32Å; D1204-R1616 PolarHBondContact OD2-NH1 3.03Å; D1204-R1616 IonicContact OD2-NH2 2.78Å; D1204-R1616 PolarHBondContact OD2-NH2 3.02Å; Y1405-R1616 PolarHBondContact OH-NH2 2.97Å; P1612-R1616 VanDerWaalsContact O-CB 3.29Å; P1612-R1616 WeakPolarHBondContact O-CB 3.41Å; P1612-R1616 PolarHBondContact O-N 3.04Å; W1613-R1616 PolarHBondContact O-N 3.01Å; A1614-R1616 VanDerWaalsContact C-N 3.32Å; A1614-R1616 PolarHBondContact O-N 2.77Å; R1616-N1618 VanDerWaalsContact C-N 3.32Å; R1616-N1618 PolarHBondContact O-N 2.98Å; R1616-T1619 WeakPolarHBondContact O-CB 3.16Å; R1616-T1619 PolarHBondContact O-N 3.19Å; R1616-T1619 VanDerWaalsContact O-N 3.13Å; R1616-I1620 HydrophobicContact CG-CD1 3.98Å; R1616-I1620 WeakPolarHBondContact O-CB 3.33Å; R1616-I1620 WeakPolarHBondContact O-CD1 3.31Å; R1616-I1620 VanDerWaalsContact O-CG1 3.25Å; R1616-I1620 WeakPolarHBondContact O-CG1 3.4Å; R1616-I1620 PolarHBondContact O-N 3.04Å |
| 1617 | A | 68.7 | Low | 65 | Low | 13.2 Ų | 13.2 | 82 Ų | 82 | 11% | 0.109 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1196 W1266 I1275 W1613 A1614 S1615 T1619 I1620 L1621 | I1196-A1617 HydrophobicContact CG2-CB 4.13Å; W1266-A1617 HydrophobicContact CH2-CB 4.25Å; I1275-A1617 HydrophobicContact CG2-CB 4.03Å; W1613-A1617 HydrophobicContact CE3-CB 4.17Å; W1613-A1617 HydrophobicContact CZ3-CB 4.36Å; W1613-A1617 VanDerWaalsContact O-CB 3.27Å; W1613-A1617 WeakPolarHBondContact O-CB 3.37Å; W1613-A1617 PolarHBondContact O-N 3.07Å; A1614-A1617 PolarHBondContact O-N 3.08Å; S1615-A1617 PolarHBondContact O-N 2.97Å; A1617-T1619 VanDerWaalsContact C-N 3.35Å; A1617-T1619 PolarHBondContact O-N 3.48Å; A1617-I1620 PolarHBondContact O-N 2.87Å; A1617-L1621 VanDerWaalsContact O-CB 3.29Å; A1617-L1621 WeakPolarHBondContact O-CB 3.34Å; A1617-L1621 WeakPolarHBondContact O-CG 3.37Å; A1617-L1621 PolarHBondContact O-N 3.08Å |
| 1618 | N | 70.1 | Confident | 65.7 | Low | 68.8 Ų | 68.8 | 79.8 Ų | 79.8 | 37% | 0.368 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | 174.2 | -92.6 | -42.3 | 0 | 0 | 0 | 112.7 | W1266 R1271 A1614 S1615 R1616 L1621 H1622 | W1266-N1618 VanDerWaalsContact CZ2-ND2 3.29Å; W1266-N1618 WeakPolarHBondContact CZ2-ND2 3.3Å; R1271-N1618 PolarHBondContact NH2-OD1 3.24Å; A1614-N1618 WeakPolarHBondContact O-CB 3.4Å; A1614-N1618 PolarHBondContact O-N 3Å; A1614-N1618 PolarHBondContact O-ND2 2.97Å; S1615-N1618 PolarHBondContact O-N 2.82Å; S1615-N1618 VanDerWaalsContact O-N 3.11Å; R1616-N1618 VanDerWaalsContact C-N 3.32Å; R1616-N1618 PolarHBondContact O-N 2.98Å; N1618-L1621 PolarHBondContact O-N 2.98Å; N1618-H1622 VanDerWaalsContact O-CB 3.25Å; N1618-H1622 WeakPolarHBondContact O-CB 3.36Å; N1618-H1622 PolarHBondContact O-N 3.1Å |
| 1619 | T | 74.3 | Confident | 66.3 | Low | 80.4 Ų | 80.4 | 85.2 Ų | 85.2 | 49% | 0.493 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.4 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | S1615 R1616 A1617 L1621 H1622 D1623 | S1615-T1619 PolarHBondContact O-N 2.92Å; S1615-T1619 PolarHBondContact O-OG1 3.21Å; S1615-T1619 VanDerWaalsContact O-OG1 3.04Å; R1616-T1619 WeakPolarHBondContact O-CB 3.16Å; R1616-T1619 PolarHBondContact O-N 3.19Å; R1616-T1619 VanDerWaalsContact O-N 3.13Å; A1617-T1619 VanDerWaalsContact C-N 3.35Å; A1617-T1619 PolarHBondContact O-N 3.48Å; T1619-L1621 VanDerWaalsContact C-N 3.34Å; T1619-L1621 PolarHBondContact O-N 3.1Å; T1619-H1622 WeakPolarHBondContact O-CB 3.24Å; T1619-H1622 PolarHBondContact O-N 3.18Å; T1619-D1623 WeakPolarHBondContact O-CB 3.31Å; T1619-D1623 PolarHBondContact O-N 3.08Å; T1619-D1623 VanDerWaalsContact O-N 3.15Å |
| 1620 | I | 73.4 | Confident | 67 | Low | 57.2 Ų | 57.2 | 84.5 Ų | 84.5 | 29% | 0.293 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177 | -66.5 | 166.4 | 0 | 0 | 0 | 111.1 | M1203 L1279 R1616 A1617 H1622 D1623 F1624 | M1203-I1620 HydrophobicContact CE-CD1 3.67Å; L1279-I1620 HydrophobicContact CD2-CD1 3.72Å; L1279-I1620 HydrophobicContact CD2-CG2 4.41Å; R1616-I1620 HydrophobicContact CG-CD1 3.98Å; R1616-I1620 WeakPolarHBondContact O-CB 3.33Å; R1616-I1620 WeakPolarHBondContact O-CD1 3.31Å; R1616-I1620 VanDerWaalsContact O-CG1 3.25Å; R1616-I1620 WeakPolarHBondContact O-CG1 3.4Å; R1616-I1620 PolarHBondContact O-N 3.04Å; A1617-I1620 PolarHBondContact O-N 2.87Å; I1620-H1622 VanDerWaalsContact C-N 3.33Å; I1620-H1622 PolarHBondContact O-N 3Å; I1620-D1623 PolarHBondContact O-N 2.97Å; I1620-F1624 HydrophobicContact CG2-CD2 4.02Å; I1620-F1624 HydrophobicContact CG2-CE2 4.41Å; I1620-F1624 VanDerWaalsContact O-CB 3.27Å; I1620-F1624 WeakPolarHBondContact O-CB 3.37Å; I1620-F1624 PolarHBondContact O-N 3.12Å |
| 1621 | L | 70.8 | Confident | 67.6 | Low | 37.4 Ų | 37.4 | 80.9 Ų | 80.9 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.4 | -144.1 | 104.5 | 0 | 0 | 0 | 112.4 | R1271 Q1274 I1275 A1617 N1618 T1619 F1624 R1625 | R1271-L1621 HydrophobicContact CG-CD2 4.25Å; Q1274-L1621 HydrophobicContact CB-CD1 3.65Å; I1275-L1621 HydrophobicContact CD1-CD2 4.26Å; I1275-L1621 HydrophobicContact CG1-CB 4.24Å; I1275-L1621 HydrophobicContact CG1-CD1 4.11Å; I1275-L1621 HydrophobicContact CG1-CD2 3.74Å; I1275-L1621 HydrophobicContact CG1-CG 4.24Å; A1617-L1621 VanDerWaalsContact O-CB 3.29Å; A1617-L1621 WeakPolarHBondContact O-CB 3.34Å; A1617-L1621 WeakPolarHBondContact O-CG 3.37Å; A1617-L1621 PolarHBondContact O-N 3.08Å; N1618-L1621 PolarHBondContact O-N 2.98Å; T1619-L1621 VanDerWaalsContact C-N 3.34Å; T1619-L1621 PolarHBondContact O-N 3.1Å; L1621-F1624 PolarHBondContact O-N 3.48Å; L1621-R1625 HydrophobicContact CD1-CG 4.38Å; L1621-R1625 HydrophobicContact CG-CG 4.48Å; L1621-R1625 WeakPolarHBondContact O-CB 3.39Å; L1621-R1625 VanDerWaalsContact O-CG 3.25Å; L1621-R1625 WeakPolarHBondContact O-CG 3.34Å; L1621-R1625 PolarHBondContact O-N 3.09Å |
| 1622 | H | 73.9 | Confident | 67.5 | Low | 109.8 Ų | 109.8 | 81.3 Ų | 81.3 | 51% | 0.508 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 176.2 | 174.8 | -88 | 0 | 0 | 0 | 111.3 | N1618 T1619 I1620 F1624 R1625 R1626 | N1618-H1622 VanDerWaalsContact O-CB 3.25Å; N1618-H1622 WeakPolarHBondContact O-CB 3.36Å; N1618-H1622 PolarHBondContact O-N 3.1Å; T1619-H1622 WeakPolarHBondContact O-CB 3.24Å; T1619-H1622 PolarHBondContact O-N 3.18Å; I1620-H1622 VanDerWaalsContact C-N 3.33Å; I1620-H1622 PolarHBondContact O-N 3Å; H1622-F1624 VanDerWaalsContact C-N 3.35Å; H1622-F1624 PolarHBondContact O-N 3.32Å; H1622-R1625 CarbonylContact O-C 3.57Å; H1622-R1625 WeakPolarHBondContact O-CA 3.5Å; H1622-R1625 WeakPolarHBondContact O-CB 3.25Å; H1622-R1625 PolarHBondContact O-N 3.29Å; H1622-R1625 VanDerWaalsContact O-N 3.14Å; H1622-R1626 WeakPolarHBondContact O-CB 3.4Å; H1622-R1626 PolarHBondContact O-N 3.09Å |
| 1623 | D | 72.2 | Confident | 67.3 | Low | 83.8 Ų | 83.8 | 87 Ų | 87 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.5 | -34.5 | 179.3 | -70.7 | -17.4 | 0 | 0 | 0 | 111.9 | T1619 I1620 R1625 R1626 A1627 | T1619-D1623 WeakPolarHBondContact O-CB 3.31Å; T1619-D1623 PolarHBondContact O-N 3.08Å; T1619-D1623 VanDerWaalsContact O-N 3.15Å; I1620-D1623 PolarHBondContact O-N 2.97Å; D1623-R1625 PolarHBondContact O-N 2.82Å; D1623-R1626 WeakPolarHBondContact O-CB 3.33Å; D1623-R1626 PolarHBondContact O-N 3.05Å; D1623-A1627 WeakPolarHBondContact O-CB 3.38Å; D1623-A1627 PolarHBondContact O-N 3.29Å; D1623-A1627 VanDerWaalsContact O-N 3.14Å |
| 1624 | F | 69.8 | Low | 66.8 | Low | 64.2 Ų | 64.2 | 90.7 Ų | 90.7 | 28% | 0.282 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 168.6 | -167 | -95.2 | 0 | 0 | 0 | 112.1 | V1277 S1278 I1620 L1621 H1622 R1626 A1627 K1628 F1631 F1640 | V1277-F1624 HydrophobicContact CG1-CE1 4.43Å; V1277-F1624 HydrophobicContact CG1-CE2 4.09Å; V1277-F1624 HydrophobicContact CG1-CZ 3.87Å; S1278-F1624 VanDerWaalsContact CB-CB 3.48Å; I1620-F1624 HydrophobicContact CG2-CD2 4.02Å; I1620-F1624 HydrophobicContact CG2-CE2 4.41Å; I1620-F1624 VanDerWaalsContact O-CB 3.27Å; I1620-F1624 WeakPolarHBondContact O-CB 3.37Å; I1620-F1624 PolarHBondContact O-N 3.12Å; L1621-F1624 PolarHBondContact O-N 3.48Å; H1622-F1624 VanDerWaalsContact C-N 3.35Å; H1622-F1624 PolarHBondContact O-N 3.32Å; F1624-R1626 VanDerWaalsContact C-N 3.28Å; F1624-R1626 PolarHBondContact O-N 3.22Å; F1624-A1627 CarbonylContact O-C 3.53Å; F1624-A1627 WeakPolarHBondContact O-CA 3.2Å; F1624-A1627 PolarHBondContact O-N 3.11Å; F1624-A1627 VanDerWaalsContact O-N 3.09Å; F1624-K1628 WeakPolarHBondContact O-CA 3.36Å; F1624-K1628 VanDerWaalsContact O-CB 3.3Å; F1624-K1628 WeakPolarHBondContact O-CB 3.46Å; F1624-K1628 PolarHBondContact O-N 3.04Å; F1624-F1631 HydrophobicContact CE2-CB 4.38Å; F1624-F1631 AromaticContact CE2-CD1 3.74Å; F1624-F1631 HydrophobicContact CE2-CD1 3.74Å; F1624-F1631 AromaticContact CE2-CD2 3.87Å; F1624-F1631 HydrophobicContact CE2-CD2 3.87Å; F1624-F1631 AromaticContact CE2-CE1 3.91Å; F1624-F1631 HydrophobicContact CE2-CE1 3.91Å; F1624-F1631 AromaticContact CE2-CE2 3.98Å; F1624-F1631 HydrophobicContact CE2-CE2 4.03Å; F1624-F1631 AromaticContact CE2-CG 3.72Å; F1624-F1631 HydrophobicContact CE2-CG 3.72Å; F1624-F1631 AromaticContact CE2-CZ 3.99Å; F1624-F1631 HydrophobicContact CE2-CZ 4.06Å; F1624-F1631 AromaticContact CZ-CD1 3.64Å; F1624-F1631 HydrophobicContact CZ-CD1 3.64Å; F1624-F1631 VanDerWaalsContact CZ-CD1 3.47Å; F1624-F1631 HydrophobicContact CZ-CD2 4.45Å; F1624-F1631 AromaticContact CZ-CE1 3.79Å; F1624-F1631 HydrophobicContact CZ-CE1 3.79Å; F1624-F1631 AromaticContact CZ-CG 3.91Å; F1624-F1631 HydrophobicContact CZ-CG 4.08Å; F1624-F1631 HydrophobicContact CZ-CZ 4.34Å; F1624-F1640 AromaticContact CE1-CE1 3.66Å; F1624-F1640 HydrophobicContact CE1-CE1 3.66Å; F1624-F1640 HydrophobicContact CE1-CE2 4.31Å; F1624-F1640 AromaticContact CE1-CZ 3.83Å; F1624-F1640 HydrophobicContact CE1-CZ 4.22Å; F1624-F1640 AromaticContact CZ-CE1 3.97Å; F1624-F1640 HydrophobicContact CZ-CE1 3.97Å; F1624-F1640 HydrophobicContact CZ-CE2 4.49Å; F1624-F1640 AromaticContact CZ-CZ 3.62Å; F1624-F1640 HydrophobicContact CZ-CZ 4Å |
| 1625 | R | 69.8 | Low | 66.4 | Low | 142.6 Ų | 142.6 | 90.9 Ų | 90.9 | 54% | 0.538 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 174.7 | -78 | 171 | 174.6 | 179.2 | -2.1 | 111.8 | Q1274 L1621 H1622 D1623 A1627 K1628 K1629 | Q1274-R1625 VanDerWaalsContact OE1-CZ 3.32Å; L1621-R1625 HydrophobicContact CD1-CG 4.38Å; L1621-R1625 HydrophobicContact CG-CG 4.48Å; L1621-R1625 WeakPolarHBondContact O-CB 3.39Å; L1621-R1625 VanDerWaalsContact O-CG 3.25Å; L1621-R1625 WeakPolarHBondContact O-CG 3.34Å; L1621-R1625 PolarHBondContact O-N 3.09Å; H1622-R1625 CarbonylContact O-C 3.57Å; H1622-R1625 WeakPolarHBondContact O-CA 3.5Å; H1622-R1625 WeakPolarHBondContact O-CB 3.25Å; H1622-R1625 PolarHBondContact O-N 3.29Å; H1622-R1625 VanDerWaalsContact O-N 3.14Å; D1623-R1625 PolarHBondContact O-N 2.82Å; R1625-A1627 VanDerWaalsContact C-N 3.34Å; R1625-K1628 VanDerWaalsContact O-CB 3.29Å; R1625-K1628 WeakPolarHBondContact O-CB 3.31Å; R1625-K1628 PolarHBondContact O-N 2.99Å; R1625-K1629 WeakPolarHBondContact O-CB 3.47Å; R1625-K1629 PolarHBondContact O-N 3.37Å |
| 1626 | R | 71.1 | Confident | 65.9 | Low | 196.2 Ų | 196.2 | 91.9 Ų | 91.9 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 174.5 | -165.1 | 178.3 | -173.8 | 177.8 | 3.3 | 112 | H1622 D1623 F1624 K1629 A1630 | H1622-R1626 WeakPolarHBondContact O-CB 3.4Å; H1622-R1626 PolarHBondContact O-N 3.09Å; D1623-R1626 WeakPolarHBondContact O-CB 3.33Å; D1623-R1626 PolarHBondContact O-N 3.05Å; F1624-R1626 VanDerWaalsContact C-N 3.28Å; F1624-R1626 PolarHBondContact O-N 3.22Å; R1626-K1629 PolarHBondContact O-N 2.82Å; R1626-A1630 VanDerWaalsContact O-CB 3.26Å; R1626-A1630 WeakPolarHBondContact O-CB 3.37Å; R1626-A1630 PolarHBondContact O-N 3.33Å |
| 1627 | A | 68.2 | Low | 65.3 | Low | 51.2 Ų | 51.2 | 89.6 Ų | 89.6 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -76.6 | -24.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1623 F1624 R1625 K1629 A1630 F1631 | D1623-A1627 WeakPolarHBondContact O-CB 3.38Å; D1623-A1627 PolarHBondContact O-N 3.29Å; D1623-A1627 VanDerWaalsContact O-N 3.14Å; F1624-A1627 CarbonylContact O-C 3.53Å; F1624-A1627 WeakPolarHBondContact O-CA 3.2Å; F1624-A1627 PolarHBondContact O-N 3.11Å; F1624-A1627 VanDerWaalsContact O-N 3.09Å; R1625-A1627 VanDerWaalsContact C-N 3.34Å; A1627-K1629 VanDerWaalsContact C-N 3.32Å; A1627-K1629 PolarHBondContact O-N 3.07Å; A1627-K1629 VanDerWaalsContact O-N 3.1Å; A1627-A1630 WeakPolarHBondContact O-CA 3.23Å; A1627-A1630 WeakPolarHBondContact O-CB 3.22Å; A1627-A1630 PolarHBondContact O-N 3.1Å; A1627-F1631 WeakPolarHBondContact O-CB 3.43Å; A1627-F1631 PolarHBondContact O-N 3.12Å; A1627-F1631 VanDerWaalsContact O-N 3.08Å |
| 1628 | K | 63.6 | Low | 64.6 | Low | 76.6 Ų | 76.6 | 91.8 Ų | 91.8 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -51.7 | -45.9 | -176.4 | -178.6 | 174.3 | 175.3 | 176.7 | 0 | 112.8 | F1624 R1625 A1630 F1631 L1632 F1640 D1641 | F1624-K1628 WeakPolarHBondContact O-CA 3.36Å; F1624-K1628 VanDerWaalsContact O-CB 3.3Å; F1624-K1628 WeakPolarHBondContact O-CB 3.46Å; F1624-K1628 PolarHBondContact O-N 3.04Å; R1625-K1628 VanDerWaalsContact O-CB 3.29Å; R1625-K1628 WeakPolarHBondContact O-CB 3.31Å; R1625-K1628 PolarHBondContact O-N 2.99Å; K1628-A1630 VanDerWaalsContact C-N 3.31Å; K1628-A1630 PolarHBondContact O-N 2.89Å; K1628-F1631 PolarHBondContact O-N 3.07Å; K1628-L1632 HydrophobicContact CD-CD1 4.36Å; K1628-L1632 HydrophobicContact CG-CD1 3.81Å; K1628-L1632 HydrophobicContact CG-CG 4.23Å; K1628-L1632 VanDerWaalsContact O-CB 3.23Å; K1628-L1632 WeakPolarHBondContact O-CB 3.35Å; K1628-L1632 WeakPolarHBondContact O-CD1 3.43Å; K1628-L1632 VanDerWaalsContact O-CG 3.26Å; K1628-L1632 WeakPolarHBondContact O-CG 3.33Å; K1628-L1632 PolarHBondContact O-N 3.13Å; K1628-L1632 VanDerWaalsContact O-N 3.1Å; K1628-F1640 HydrophobicContact CD-CE2 4.36Å; K1628-D1641 WeakPolarHBondContact CE-OD2 3.44Å; K1628-D1641 IonicContact NZ-OD1 3.37Å; K1628-D1641 IonicContact NZ-OD2 3.68Å; K1628-D1641 PolarHBondContact NZ-OD2 2.77Å |
| 1629 | K | 62.7 | Low | 63.8 | Low | 172.6 Ų | 172.6 | 93.8 Ų | 93.8 | 75% | 0.75 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65 | -33.7 | 177.5 | -83.1 | -172 | 174.5 | -178.9 | 0 | 113.6 | R1625 R1626 A1627 R1633 | R1625-K1629 WeakPolarHBondContact O-CB 3.47Å; R1625-K1629 PolarHBondContact O-N 3.37Å; R1626-K1629 PolarHBondContact O-N 2.82Å; A1627-K1629 VanDerWaalsContact C-N 3.32Å; A1627-K1629 PolarHBondContact O-N 3.07Å; A1627-K1629 VanDerWaalsContact O-N 3.1Å; K1629-R1633 VanDerWaalsContact O-CB 3.29Å; K1629-R1633 WeakPolarHBondContact O-CB 3.47Å; K1629-R1633 VanDerWaalsContact O-CG 3.27Å; K1629-R1633 WeakPolarHBondContact O-CG 3.39Å; K1629-R1633 PolarHBondContact O-N 2.93Å; K1629-R1633 VanDerWaalsContact O-N 3.09Å |
| 1630 | A | 62.5 | Low | 62.9 | Low | 55.8 Ų | 55.8 | 93 Ų | 93 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -79 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1626 A1627 K1628 R1633 R1634 | R1626-A1630 VanDerWaalsContact O-CB 3.26Å; R1626-A1630 WeakPolarHBondContact O-CB 3.37Å; R1626-A1630 PolarHBondContact O-N 3.33Å; A1627-A1630 WeakPolarHBondContact O-CA 3.23Å; A1627-A1630 WeakPolarHBondContact O-CB 3.22Å; A1627-A1630 PolarHBondContact O-N 3.1Å; K1628-A1630 VanDerWaalsContact C-N 3.31Å; K1628-A1630 PolarHBondContact O-N 2.89Å; A1630-R1633 PolarHBondContact O-N 3.14Å; A1630-R1634 WeakPolarHBondContact O-CB 3.33Å; A1630-R1634 WeakPolarHBondContact O-CG 3.11Å; A1630-R1634 PolarHBondContact O-N 3.2Å; A1630-R1634 VanDerWaalsContact O-N 3.16Å |
| 1631 | F | 62.1 | Low | 61.9 | Low | 66.6 Ų | 66.6 | 94 Ų | 94 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -49.3 | 175.3 | -177.5 | -96.2 | 0 | 0 | 0 | 111.5 | V1277 L1439 F1624 A1627 K1628 R1633 R1634 C1635 L1638 F1640 | V1277-F1631 HydrophobicContact CG1-CE1 4.03Å; V1277-F1631 HydrophobicContact CG1-CZ 4.01Å; L1439-F1631 HydrophobicContact CB-CE2 4.18Å; L1439-F1631 HydrophobicContact CB-CZ 3.91Å; L1439-F1631 HydrophobicContact CD2-CE2 4.14Å; L1439-F1631 HydrophobicContact CD2-CZ 3.68Å; L1439-F1631 HydrophobicContact CG-CZ 4.36Å; F1624-F1631 HydrophobicContact CE2-CB 4.38Å; F1624-F1631 AromaticContact CE2-CD1 3.74Å; F1624-F1631 HydrophobicContact CE2-CD1 3.74Å; F1624-F1631 AromaticContact CE2-CD2 3.87Å; F1624-F1631 HydrophobicContact CE2-CD2 3.87Å; F1624-F1631 AromaticContact CE2-CE1 3.91Å; F1624-F1631 HydrophobicContact CE2-CE1 3.91Å; F1624-F1631 AromaticContact CE2-CE2 3.98Å; F1624-F1631 HydrophobicContact CE2-CE2 4.03Å; F1624-F1631 AromaticContact CE2-CG 3.72Å; F1624-F1631 HydrophobicContact CE2-CG 3.72Å; F1624-F1631 AromaticContact CE2-CZ 3.99Å; F1624-F1631 HydrophobicContact CE2-CZ 4.06Å; F1624-F1631 AromaticContact CZ-CD1 3.64Å; F1624-F1631 HydrophobicContact CZ-CD1 3.64Å; F1624-F1631 VanDerWaalsContact CZ-CD1 3.47Å; F1624-F1631 HydrophobicContact CZ-CD2 4.45Å; F1624-F1631 AromaticContact CZ-CE1 3.79Å; F1624-F1631 HydrophobicContact CZ-CE1 3.79Å; F1624-F1631 AromaticContact CZ-CG 3.91Å; F1624-F1631 HydrophobicContact CZ-CG 4.08Å; F1624-F1631 HydrophobicContact CZ-CZ 4.34Å; A1627-F1631 WeakPolarHBondContact O-CB 3.43Å; A1627-F1631 PolarHBondContact O-N 3.12Å; A1627-F1631 VanDerWaalsContact O-N 3.08Å; K1628-F1631 PolarHBondContact O-N 3.07Å; F1631-R1633 PolarHBondContact O-N 2.9Å; F1631-R1633 VanDerWaalsContact O-N 3.11Å; F1631-R1634 CarbonylContact O-C 3.51Å; F1631-R1634 WeakPolarHBondContact O-CA 3.32Å; F1631-R1634 PolarHBondContact O-N 3.16Å; F1631-C1635 VanDerWaalsContact CD1-SG 3.55Å; F1631-C1635 HydrophobicContact CE1-CB 4.44Å; F1631-C1635 WeakPolarHBondContact CE1-SG 3.27Å; F1631-C1635 PolarHBondContact O-N 3.13Å; F1631-C1635 PolarHBondContact O-SG 3.14Å; F1631-L1638 HydrophobicContact CE1-CD1 3.93Å; F1631-L1638 HydrophobicContact CZ-CD1 4.1Å; F1631-F1640 HydrophobicContact CD1-CZ 4.43Å; F1631-F1640 HydrophobicContact CE1-CE1 4.28Å; F1631-F1640 HydrophobicContact CE1-CE2 4.2Å; F1631-F1640 HydrophobicContact CE1-CZ 4.24Å |
| 1632 | L | 57.7 | Low | 61 | Low | 67.6 Ų | 67.6 | 98.5 Ų | 98.5 | 35% | 0.354 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -18.4 | 177.7 | -71.4 | 174.5 | 0 | 0 | 0 | 113.9 | K1628 R1634 F1640 L1645 | K1628-L1632 HydrophobicContact CD-CD1 4.36Å; K1628-L1632 HydrophobicContact CG-CD1 3.81Å; K1628-L1632 HydrophobicContact CG-CG 4.23Å; K1628-L1632 VanDerWaalsContact O-CB 3.23Å; K1628-L1632 WeakPolarHBondContact O-CB 3.35Å; K1628-L1632 WeakPolarHBondContact O-CD1 3.43Å; K1628-L1632 VanDerWaalsContact O-CG 3.26Å; K1628-L1632 WeakPolarHBondContact O-CG 3.33Å; K1628-L1632 PolarHBondContact O-N 3.13Å; K1628-L1632 VanDerWaalsContact O-N 3.1Å; L1632-R1634 VanDerWaalsContact C-N 3.28Å; L1632-R1634 PolarHBondContact O-N 2.8Å; L1632-F1640 HydrophobicContact CD1-CZ 4.43Å; L1632-F1640 HydrophobicContact CD2-CD2 3.65Å; L1632-F1640 HydrophobicContact CD2-CE1 3.95Å; L1632-F1640 HydrophobicContact CD2-CE2 4.1Å; L1632-F1640 HydrophobicContact CD2-CG 4.25Å; L1632-F1640 HydrophobicContact CD2-CZ 3.54Å; L1632-F1640 HydrophobicContact CG-CZ 4.17Å; L1632-L1645 HydrophobicContact CB-CD1 4.1Å; L1632-L1645 HydrophobicContact CD1-CD1 4.33Å; L1632-L1645 HydrophobicContact CD2-CD1 3.93Å; L1632-L1645 HydrophobicContact CG-CD1 4.34Å |
| 1633 | R | 57.4 | Low | 59.8 | Low | 220 Ų | 220 | 99.9 Ų | 99.9 | 83% | 0.83 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9 | 170 | -77.3 | 179.4 | 174.5 | -173.5 | -3.1 | 113.8 | K1629 A1630 F1631 | K1629-R1633 VanDerWaalsContact O-CB 3.29Å; K1629-R1633 WeakPolarHBondContact O-CB 3.47Å; K1629-R1633 VanDerWaalsContact O-CG 3.27Å; K1629-R1633 WeakPolarHBondContact O-CG 3.39Å; K1629-R1633 PolarHBondContact O-N 2.93Å; K1629-R1633 VanDerWaalsContact O-N 3.09Å; A1630-R1633 PolarHBondContact O-N 3.14Å; F1631-R1633 PolarHBondContact O-N 2.9Å; F1631-R1633 VanDerWaalsContact O-N 3.11Å |
| 1634 | R | 56.5 | Low | 58.9 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -4.7 | -176.1 | -65.2 | -177.7 | 178.1 | 170.8 | 0 | 114.1 | V1305 P1438 A1630 F1631 L1632 V1636 | V1305-R1634 HydrophobicContact CG1-CG 4.46Å; P1438-R1634 WeakPolarHBondContact CB-O 3.21Å; A1630-R1634 WeakPolarHBondContact O-CB 3.33Å; A1630-R1634 WeakPolarHBondContact O-CG 3.11Å; A1630-R1634 PolarHBondContact O-N 3.2Å; A1630-R1634 VanDerWaalsContact O-N 3.16Å; F1631-R1634 CarbonylContact O-C 3.51Å; F1631-R1634 WeakPolarHBondContact O-CA 3.32Å; F1631-R1634 PolarHBondContact O-N 3.16Å; L1632-R1634 VanDerWaalsContact C-N 3.28Å; L1632-R1634 PolarHBondContact O-N 2.8Å; R1634-V1636 VanDerWaalsContact C-N 3.3Å; R1634-V1636 WeakPolarHBondContact O-CG2 3.48Å; R1634-V1636 PolarHBondContact O-N 3.26Å; R1634-V1636 VanDerWaalsContact O-N 3.15Å |
| 1635 | C | 55.8 | Low | 58.2 | Low | 18.8 Ų | 18.8 | 99.6 Ų | 99.6 | 13% | 0.127 | 47% | 0.474 | C | S | . | . | trans | -113.7 | 113.3 | 176.2 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | L1439 E1440 F1631 F1637 L1638 | L1439-C1635 PolarHBondContact N-SG 3.45Å; L1439-C1635 VanDerWaalsContact N-SG 3.44Å; E1440-C1635 VanDerWaalsContact CD-CA 3.45Å; E1440-C1635 HydrophobicContact CG-CB 4.15Å; E1440-C1635 WeakPolarHBondContact OE1-CA 3.4Å; E1440-C1635 WeakPolarHBondContact OE2-CA 3.33Å; E1440-C1635 WeakPolarHBondContact OE2-CB 3.42Å; F1631-C1635 VanDerWaalsContact CD1-SG 3.55Å; F1631-C1635 HydrophobicContact CE1-CB 4.44Å; F1631-C1635 WeakPolarHBondContact CE1-SG 3.27Å; F1631-C1635 PolarHBondContact O-N 3.13Å; F1631-C1635 PolarHBondContact O-SG 3.14Å; C1635-F1637 PolarHBondContact O-N 3.21Å; C1635-F1637 VanDerWaalsContact O-N 3.15Å; C1635-L1638 HydrophobicContact CB-CB 4.28Å; C1635-L1638 HydrophobicContact CB-CD1 3.68Å; C1635-L1638 VanDerWaalsContact CB-CD1 3.41Å; C1635-L1638 HydrophobicContact CB-CG 4.1Å; C1635-L1638 PolarHBondContact O-N 3.19Å | ||
| 1636 | V | 54.7 | Low | 57.6 | Low | 81.8 Ų | 81.8 | 95.2 Ų | 95.2 | 50% | 0.496 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -91.2 | -15.6 | -174.2 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | E1440 R1634 L1638 K1639 Y1646 | E1440-V1636 VanDerWaalsContact CD-N 3.3Å; E1440-V1636 PolarHBondContact OE1-N 3.15Å; E1440-V1636 PolarHBondContact OE2-N 3.11Å; E1440-V1636 VanDerWaalsContact OE2-N 3.1Å; R1634-V1636 VanDerWaalsContact C-N 3.3Å; R1634-V1636 WeakPolarHBondContact O-CG2 3.48Å; R1634-V1636 PolarHBondContact O-N 3.26Å; R1634-V1636 VanDerWaalsContact O-N 3.15Å; V1636-L1638 PolarHBondContact O-N 3.1Å; V1636-K1639 PolarHBondContact O-N 3.36Å; V1636-Y1646 HydrophobicContact CG1-CD1 4.45Å |
| 1637 | F | 55.2 | Low | 57.2 | Low | 59.2 Ų | 59.2 | 88.9 Ų | 88.9 | 26% | 0.26 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -100.7 | 2.3 | -174.2 | -69.7 | -75 | 0 | 0 | 0 | 114.6 | Y1086 L1089 E1440 L1453 Y1454 V1455 P1456 W1524 C1635 K1639 Y1646 | Y1086-F1637 AromaticContact CE1-CD2 3.7Å; Y1086-F1637 HydrophobicContact CE1-CD2 3.7Å; Y1086-F1637 AromaticContact CE1-CE2 3.99Å; Y1086-F1637 HydrophobicContact CE1-CE2 4.06Å; Y1086-F1637 HydrophobicContact CE2-CD2 4.36Å; Y1086-F1637 AromaticContact CZ-CD2 3.55Å; Y1086-F1637 VanDerWaalsContact OH-CD2 3.32Å; Y1086-F1637 WeakPolarHBondContact OH-CD2 3.41Å; L1089-F1637 HydrophobicContact CD1-CE2 3.51Å; L1089-F1637 HydrophobicContact CD1-CZ 3.52Å; L1089-F1637 VanDerWaalsContact CD1-CZ 3.46Å; E1440-F1637 WeakPolarHBondContact OE2-CA 3.41Å; E1440-F1637 WeakPolarHBondContact OE2-CB 3.47Å; E1440-F1637 PolarHBondContact OE2-N 2.73Å; L1453-F1637 CarbonylContact C-O 3.56Å; L1453-F1637 HydrophobicContact CD1-CB 3.8Å; L1453-F1637 HydrophobicContact CD2-CB 3.68Å; L1453-F1637 HydrophobicContact CG-CB 4.49Å; Y1454-F1637 CarbonylContact C-O 3.56Å; Y1454-F1637 WeakPolarHBondContact CA-O 3.14Å; Y1454-F1637 PolarHBondContact N-O 3Å; Y1454-F1637 VanDerWaalsContact N-O 3.17Å; Y1454-F1637 WeakPolarHBondContact O-CB 3.39Å; Y1454-F1637 WeakPolarHBondContact O-CD1 3.31Å; V1455-F1637 HydrophobicContact CB-CD1 4.43Å; V1455-F1637 HydrophobicContact CG1-CD1 4.29Å; V1455-F1637 HydrophobicContact CG1-CE1 4.22Å; V1455-F1637 HydrophobicContact CG1-CE2 4.36Å; V1455-F1637 HydrophobicContact CG1-CZ 4.37Å; V1455-F1637 HydrophobicContact CG2-CB 4.23Å; V1455-F1637 HydrophobicContact CG2-CD1 4.39Å; V1455-F1637 HydrophobicContact CG2-CD2 4.22Å; V1455-F1637 HydrophobicContact CG2-CG 4.23Å; P1456-F1637 WeakPolarHBondContact CG-O 3.05Å; W1524-F1637 AromaticContact CH2-CE1 3.79Å; W1524-F1637 HydrophobicContact CH2-CE1 3.79Å; W1524-F1637 HydrophobicContact CH2-CZ 4.19Å; W1524-F1637 HydrophobicContact CZ3-CE1 4.16Å; W1524-F1637 HydrophobicContact CZ3-CZ 4.45Å; C1635-F1637 PolarHBondContact O-N 3.21Å; C1635-F1637 VanDerWaalsContact O-N 3.15Å; F1637-K1639 PolarHBondContact O-N 3.03Å; F1637-Y1646 HydrophobicContact CD1-CE1 4.12Å |
| 1638 | L | 55.4 | Low | 57 | Low | 59.4 Ų | 59.4 | 87.2 Ų | 87.2 | 31% | 0.311 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -100 | 78.6 | 178.2 | -79.5 | 174 | 0 | 0 | 0 | 112.7 | V1277 L1439 E1440 L1447 L1452 L1453 P1456 F1631 C1635 V1636 F1640 | V1277-L1638 HydrophobicContact CG1-CD1 4.38Å; V1277-L1638 HydrophobicContact CG1-CD2 4.49Å; V1277-L1638 HydrophobicContact CG2-CD2 3.8Å; L1439-L1638 HydrophobicContact CB-CD1 4.32Å; E1440-L1638 HydrophobicContact CB-CD1 3.98Å; E1440-L1638 HydrophobicContact CB-CD2 4.2Å; E1440-L1638 HydrophobicContact CB-CG 4.28Å; E1440-L1638 PolarHBondContact OE2-N 2.73Å; L1447-L1638 HydrophobicContact CD1-CD1 4.46Å; L1447-L1638 HydrophobicContact CD1-CD2 3.96Å; L1447-L1638 HydrophobicContact CD1-CG 4.46Å; L1447-L1638 HydrophobicContact CD2-CD2 4.12Å; L1452-L1638 WeakPolarHBondContact O-CA 3.44Å; L1453-L1638 HydrophobicContact CD1-CD2 4.1Å; L1453-L1638 HydrophobicContact CD1-CG 4.5Å; P1456-L1638 HydrophobicContact CB-CD2 3.97Å; P1456-L1638 HydrophobicContact CG-CD2 4.47Å; F1631-L1638 HydrophobicContact CE1-CD1 3.93Å; F1631-L1638 HydrophobicContact CZ-CD1 4.1Å; C1635-L1638 HydrophobicContact CB-CB 4.28Å; C1635-L1638 HydrophobicContact CB-CD1 3.68Å; C1635-L1638 VanDerWaalsContact CB-CD1 3.41Å; C1635-L1638 HydrophobicContact CB-CG 4.1Å; C1635-L1638 PolarHBondContact O-N 3.19Å; V1636-L1638 PolarHBondContact O-N 3.1Å; L1638-F1640 VanDerWaalsContact C-N 3.29Å; L1638-F1640 HydrophobicContact CB-CD1 3.98Å; L1638-F1640 HydrophobicContact CB-CD2 3.47Å; L1638-F1640 VanDerWaalsContact CB-CD2 3.47Å; L1638-F1640 HydrophobicContact CB-CE1 3.95Å; L1638-F1640 HydrophobicContact CB-CE2 3.41Å; L1638-F1640 VanDerWaalsContact CB-CE2 3.41Å; L1638-F1640 HydrophobicContact CD1-CE1 4.2Å; L1638-F1640 HydrophobicContact CD1-CE2 3.7Å; L1638-F1640 HydrophobicContact CD1-CZ 4.48Å; L1638-F1640 HydrophobicContact CD2-CD1 4.45Å; L1638-F1640 HydrophobicContact CD2-CE2 3.88Å; L1638-F1640 HydrophobicContact CG-CE2 4.11Å; L1638-F1640 WeakPolarHBondContact O-CD1 3.3Å; L1638-F1640 PolarHBondContact O-N 2.94Å |
| 1639 | K | 52.8 | Low | 57.2 | Low | 111.2 Ų | 111.2 | 84.4 Ų | 84.4 | 48% | 0.483 | 41% | 0.411 | S | S | . | . | trans | -91.4 | 105.1 | 171.4 | -99.8 | -173.5 | 166 | -156.7 | 0 | 111 | L1452 V1636 F1637 D1641 C1644 | L1452-K1639 PolarHBondContact O-N 3.09Å; V1636-K1639 PolarHBondContact O-N 3.36Å; F1637-K1639 PolarHBondContact O-N 3.03Å; K1639-D1641 IonicContact NZ-OD1 2.88Å; K1639-D1641 PolarHBondContact NZ-OD1 2.81Å; K1639-D1641 IonicContact NZ-OD2 2.88Å; K1639-D1641 PolarHBondContact NZ-OD2 2.91Å; K1639-C1644 WeakPolarHBondContact CE-SG 3.09Å | ||
| 1640 | F | 55.1 | Low | 57.6 | Low | 63 Ų | 63 | 76.9 Ų | 76.9 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | trans | -115.5 | 35.8 | 167.5 | -28.9 | -90.1 | 0 | 0 | 0 | 111.8 | N1273 Q1274 V1277 M1457 F1624 K1628 F1631 L1632 L1638 L1694 | N1273-F1640 HydrophobicContact CB-CB 4.11Å; Q1274-F1640 HydrophobicContact CG-CB 4.28Å; Q1274-F1640 HydrophobicContact CG-CD1 4.17Å; Q1274-F1640 HydrophobicContact CG-CD2 3.88Å; Q1274-F1640 HydrophobicContact CG-CG 4.43Å; V1277-F1640 HydrophobicContact CB-CE1 4.03Å; V1277-F1640 HydrophobicContact CB-CZ 3.78Å; V1277-F1640 HydrophobicContact CG1-CD1 4.38Å; V1277-F1640 HydrophobicContact CG1-CE1 4.25Å; V1277-F1640 HydrophobicContact CG1-CE2 4.1Å; V1277-F1640 HydrophobicContact CG1-CZ 3.34Å; V1277-F1640 HydrophobicContact CG2-CB 4.47Å; V1277-F1640 HydrophobicContact CG2-CD1 4.18Å; V1277-F1640 HydrophobicContact CG2-CE1 4.32Å; V1277-F1640 HydrophobicContact CG2-CZ 4.09Å; M1457-F1640 HydrophobicContact CG-CE2 4.49Å; F1624-F1640 AromaticContact CE1-CE1 3.66Å; F1624-F1640 HydrophobicContact CE1-CE1 3.66Å; F1624-F1640 HydrophobicContact CE1-CE2 4.31Å; F1624-F1640 AromaticContact CE1-CZ 3.83Å; F1624-F1640 HydrophobicContact CE1-CZ 4.22Å; F1624-F1640 AromaticContact CZ-CE1 3.97Å; F1624-F1640 HydrophobicContact CZ-CE1 3.97Å; F1624-F1640 HydrophobicContact CZ-CE2 4.49Å; F1624-F1640 AromaticContact CZ-CZ 3.62Å; F1624-F1640 HydrophobicContact CZ-CZ 4Å; K1628-F1640 HydrophobicContact CD-CE2 4.36Å; F1631-F1640 HydrophobicContact CD1-CZ 4.43Å; F1631-F1640 HydrophobicContact CE1-CE1 4.28Å; F1631-F1640 HydrophobicContact CE1-CE2 4.2Å; F1631-F1640 HydrophobicContact CE1-CZ 4.24Å; L1632-F1640 HydrophobicContact CD1-CZ 4.43Å; L1632-F1640 HydrophobicContact CD2-CD2 3.65Å; L1632-F1640 HydrophobicContact CD2-CE1 3.95Å; L1632-F1640 HydrophobicContact CD2-CE2 4.1Å; L1632-F1640 HydrophobicContact CD2-CG 4.25Å; L1632-F1640 HydrophobicContact CD2-CZ 3.54Å; L1632-F1640 HydrophobicContact CG-CZ 4.17Å; L1638-F1640 VanDerWaalsContact C-N 3.29Å; L1638-F1640 HydrophobicContact CB-CD1 3.98Å; L1638-F1640 HydrophobicContact CB-CD2 3.47Å; L1638-F1640 VanDerWaalsContact CB-CD2 3.47Å; L1638-F1640 HydrophobicContact CB-CE1 3.95Å; L1638-F1640 HydrophobicContact CB-CE2 3.41Å; L1638-F1640 VanDerWaalsContact CB-CE2 3.41Å; L1638-F1640 HydrophobicContact CD1-CE1 4.2Å; L1638-F1640 HydrophobicContact CD1-CE2 3.7Å; L1638-F1640 HydrophobicContact CD1-CZ 4.48Å; L1638-F1640 HydrophobicContact CD2-CD1 4.45Å; L1638-F1640 HydrophobicContact CD2-CE2 3.88Å; L1638-F1640 HydrophobicContact CG-CE2 4.11Å; L1638-F1640 WeakPolarHBondContact O-CD1 3.3Å; L1638-F1640 PolarHBondContact O-N 2.94Å; F1640-L1694 HydrophobicContact CB-CD2 4.24Å | ||
| 1641 | D | 52.4 | Low | 58.3 | Low | 79.4 Ų | 79.4 | 77.4 Ų | 77.4 | 43% | 0.425 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -126.1 | 162.9 | 171.8 | -73.3 | -53.1 | 0 | 0 | 0 | 108.9 | Q1274 K1628 K1639 D1643 C1644 | Q1274-D1641 PolarHBondContact NE2-OD1 3.16Å; Q1274-D1641 PolarHBondContact NE2-OD2 2.91Å; K1628-D1641 WeakPolarHBondContact CE-OD2 3.44Å; K1628-D1641 IonicContact NZ-OD1 3.37Å; K1628-D1641 IonicContact NZ-OD2 3.68Å; K1628-D1641 PolarHBondContact NZ-OD2 2.77Å; K1639-D1641 IonicContact NZ-OD1 2.88Å; K1639-D1641 PolarHBondContact NZ-OD1 2.81Å; K1639-D1641 IonicContact NZ-OD2 2.88Å; K1639-D1641 PolarHBondContact NZ-OD2 2.91Å; D1641-D1643 VanDerWaalsContact C-N 3.29Å; D1641-D1643 PolarHBondContact O-N 3.08Å; D1641-C1644 PolarHBondContact O-N 3.25Å; D1641-C1644 PolarHBondContact O-SG 3.47Å; D1641-C1644 VanDerWaalsContact O-SG 3.36Å |
| 1642 | D | 51.7 | Low | 59.1 | Low | 131.4 Ų | 131.4 | 75.3 Ų | 75.3 | 70% | 0.703 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -65.1 | -15.2 | -174.2 | -67.3 | -28.7 | 0 | 0 | 0 | 114.8 | R1270 C1644 | R1270-D1642 VanDerWaalsContact CZ-CG 3.4Å; R1270-D1642 IonicContact CZ-OD1 3.83Å; R1270-D1642 IonicContact CZ-OD2 3.26Å; R1270-D1642 IonicContact NE-OD1 3.21Å; R1270-D1642 IonicContact NE-OD2 3.34Å; R1270-D1642 PolarHBondContact NE-OD2 3.28Å; R1270-D1642 VanDerWaalsContact NH1-CG 3.29Å; R1270-D1642 IonicContact NH1-OD1 3.2Å; R1270-D1642 PolarHBondContact NH1-OD1 3.09Å; R1270-D1642 IonicContact NH1-OD2 3.35Å; R1270-D1642 PolarHBondContact NH1-OD2 2.87Å; R1270-D1642 IonicContact NH2-OD1 3.2Å; R1270-D1642 PolarHBondContact NH2-OD1 3.34Å; R1270-D1642 IonicContact NH2-OD2 3.01Å; R1270-D1642 PolarHBondContact NH2-OD2 3.04Å; D1642-C1644 PolarHBondContact O-N 2.85Å; D1642-C1644 VanDerWaalsContact O-N 3.12Å |
| 1643 | D | 50.1 | Low | 60.3 | Low | 138.8 Ų | 138.8 | 73.1 Ų | 73.1 | 74% | 0.742 | 35% | 0.351 | S | S | * | . | trans | -73.2 | 72.9 | 175.1 | -77.1 | -28.7 | 0 | 0 | 0 | 111.1 | R1329 D1641 L1645 | R1329-D1643 IonicContact NH2-OD2 3.53Å; R1329-D1643 PolarHBondContact NH2-OD2 2.86Å; D1641-D1643 VanDerWaalsContact C-N 3.29Å; D1641-D1643 PolarHBondContact O-N 3.08Å; D1643-L1645 PolarHBondContact O-N 2.84Å; D1643-L1645 VanDerWaalsContact O-N 3.1Å | ||
| 1644 | C | 52.1 | Low | 61.7 | Low | 55.2 Ų | 55.2 | 64.9 Ų | 64.9 | 37% | 0.373 | 32% | 0.324 | S | S | . | . | trans | -58.4 | 122.6 | 171.9 | -75.7 | 0 | 0 | 0 | 0 | 110.2 | K1639 D1641 D1642 Y1646 L1694 | K1639-C1644 WeakPolarHBondContact CE-SG 3.09Å; D1641-C1644 PolarHBondContact O-N 3.25Å; D1641-C1644 PolarHBondContact O-SG 3.47Å; D1641-C1644 VanDerWaalsContact O-SG 3.36Å; D1642-C1644 PolarHBondContact O-N 2.85Å; D1642-C1644 VanDerWaalsContact O-N 3.12Å; C1644-Y1646 PolarHBondContact O-N 3Å; C1644-Y1646 VanDerWaalsContact O-N 3.16Å; C1644-L1694 HydrophobicContact CB-CD1 3.77Å | ||
| 1645 | L | 54.7 | Low | 63.2 | Low | 86.2 Ų | 86.2 | 61.1 Ų | 61.1 | 45% | 0.451 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -69 | -2.4 | -179.6 | -74.6 | 172.9 | 0 | 0 | 0 | 114.2 | K1529 L1632 D1643 | K1529-L1645 WeakPolarHBondContact CB-O 3.26Å; K1529-L1645 WeakPolarHBondContact CD-O 3.27Å; K1529-L1645 WeakPolarHBondContact CG-O 3.37Å; L1632-L1645 HydrophobicContact CB-CD1 4.1Å; L1632-L1645 HydrophobicContact CD1-CD1 4.33Å; L1632-L1645 HydrophobicContact CD2-CD1 3.93Å; L1632-L1645 HydrophobicContact CG-CD1 4.34Å; D1643-L1645 PolarHBondContact O-N 2.84Å; D1643-L1645 VanDerWaalsContact O-N 3.1Å |
| 1646 | Y | 58.7 | Low | 64.8 | Low | 50.6 Ų | 50.6 | 60.7 Ų | 60.7 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -137.4 | 139.2 | -179.9 | -17.9 | -86.1 | 0 | 0 | 0 | 111.1 | P1456 W1524 K1529 V1636 F1637 C1644 V1648 L1694 | P1456-Y1646 HydrophobicContact CG-CE2 3.95Å; W1524-Y1646 AromaticContact CH2-CD1 3.99Å; W1524-Y1646 HydrophobicContact CH2-CD1 3.99Å; W1524-Y1646 AromaticContact CH2-CE1 3.87Å; W1524-Y1646 HydrophobicContact CH2-CE1 3.87Å; W1524-Y1646 HydrophobicContact CH2-CE2 4.44Å; W1524-Y1646 HydrophobicContact CH2-CG 4.35Å; W1524-Y1646 AromaticContact CZ3-CD1 3.97Å; W1524-Y1646 HydrophobicContact CZ3-CD1 3.97Å; W1524-Y1646 AromaticContact CZ3-CE1 3.63Å; W1524-Y1646 HydrophobicContact CZ3-CE1 3.63Å; K1529-Y1646 HydrophobicContact CB-CD1 4.12Å; K1529-Y1646 HydrophobicContact CB-CE1 4.34Å; K1529-Y1646 HydrophobicContact CG-CD1 4.3Å; K1529-Y1646 HydrophobicContact CG-CE1 4.28Å; K1529-Y1646 CarbonylContact O-C 3.53Å; K1529-Y1646 VanDerWaalsContact O-CA 3.24Å; K1529-Y1646 WeakPolarHBondContact O-CA 3.44Å; K1529-Y1646 VanDerWaalsContact O-CB 3.22Å; K1529-Y1646 WeakPolarHBondContact O-CB 3.26Å; V1636-Y1646 HydrophobicContact CG1-CD1 4.45Å; F1637-Y1646 HydrophobicContact CD1-CE1 4.12Å; C1644-Y1646 PolarHBondContact O-N 3Å; C1644-Y1646 VanDerWaalsContact O-N 3.16Å; Y1646-V1648 HydrophobicContact CD2-CG2 3.61Å; Y1646-V1648 HydrophobicContact CE2-CG2 3.54Å; Y1646-L1694 HydrophobicContact CD2-CD1 4.46Å; Y1646-L1694 HydrophobicContact CE2-CD1 4.37Å; Y1646-L1694 VanDerWaalsContact O-CD1 3.26Å; Y1646-L1694 WeakPolarHBondContact O-CD1 3.44Å |
| 1647 | E | 61 | Low | 66.6 | Low | 64.2 Ų | 64.2 | 60.6 Ų | 60.6 | 30% | 0.3 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.9 | 173.2 | -171.9 | -174.9 | -164.7 | 0 | 0 | 109.9 | K1529 R1530 L1531 V1649 N1692 | K1529-E1647 PolarHBondContact O-N 3.02Å; R1530-E1647 CarbonylContact C-O 3.55Å; R1530-E1647 WeakPolarHBondContact CA-O 3.33Å; R1530-E1647 HydrophobicContact CB-CB 4.46Å; R1530-E1647 VanDerWaalsContact CD-OE2 3.29Å; R1530-E1647 WeakPolarHBondContact CD-OE2 3.32Å; R1530-E1647 HydrophobicContact CG-CB 4.37Å; R1530-E1647 WeakPolarHBondContact CG-OE2 3.38Å; R1530-E1647 IonicContact CZ-OE2 3.5Å; R1530-E1647 VanDerWaalsContact CZ-OE2 3.22Å; R1530-E1647 IonicContact NE-OE2 3.17Å; R1530-E1647 PolarHBondContact NE-OE2 3.31Å; R1530-E1647 IonicContact NH1-OE1 2.69Å; R1530-E1647 PolarHBondContact NH1-OE1 2.99Å; R1530-E1647 VanDerWaalsContact NH1-OE1 3.15Å; R1530-E1647 IonicContact NH1-OE2 2.84Å; R1530-E1647 PolarHBondContact NH1-OE2 3.39Å; R1530-E1647 IonicContact NH2-OE1 3.14Å; R1530-E1647 PolarHBondContact NH2-OE1 3.17Å; R1530-E1647 IonicContact NH2-OE2 3.13Å; R1530-E1647 PolarHBondContact NH2-OE2 3.44Å; L1531-E1647 PolarHBondContact N-O 3.1Å; E1647-V1649 HydrophobicContact CG-CG2 4.08Å; E1647-V1649 WeakPolarHBondContact OE1-CG2 3.39Å; E1647-N1692 WeakPolarHBondContact CG-OD1 3.3Å; E1647-N1692 PolarHBondContact OE1-ND2 3.04Å |
| 1648 | V | 63.9 | Low | 68.3 | Low | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 96.4 | 179.9 | -175 | 0 | 0 | 0 | 0 | 109.5 | L1531 V1533 Y1646 Q1650 N1692 L1693 L1694 | L1531-V1648 HydrophobicContact CB-CG2 4.37Å; L1531-V1648 HydrophobicContact CD2-CG1 4.15Å; L1531-V1648 HydrophobicContact CD2-CG2 4.23Å; L1531-V1648 HydrophobicContact CG-CG1 4.31Å; L1531-V1648 CarbonylContact O-C 3.54Å; L1531-V1648 WeakPolarHBondContact O-CA 3.44Å; V1533-V1648 HydrophobicContact CG2-CG1 4.46Å; Y1646-V1648 HydrophobicContact CD2-CG2 3.61Å; Y1646-V1648 HydrophobicContact CE2-CG2 3.54Å; V1648-Q1650 PolarHBondContact O-N 3.4Å; V1648-N1692 PolarHBondContact N-OD1 2.91Å; V1648-N1692 CarbonylContact O-C 3.6Å; V1648-N1692 WeakPolarHBondContact O-CA 3.2Å; V1648-N1692 PolarHBondContact O-OD1 3.08Å; V1648-L1693 HydrophobicContact CB-CB 4.25Å; V1648-L1693 HydrophobicContact CG1-CB 4.09Å; V1648-L1693 HydrophobicContact CG1-CD1 3.92Å; V1648-L1693 HydrophobicContact CG1-CG 4.44Å; V1648-L1693 WeakPolarHBondContact O-CB 3.32Å; V1648-L1693 PolarHBondContact O-N 3.08Å; V1648-L1694 HydrophobicContact CB-CD1 4.15Å; V1648-L1694 HydrophobicContact CB-CG 4.2Å; V1648-L1694 HydrophobicContact CG2-CD1 3.64Å; V1648-L1694 HydrophobicContact CG2-CG 4.1Å |
| 1649 | V | 68 | Low | 70 | Confident | 17.6 Ų | 17.6 | 58.2 Ų | 58.2 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 119 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 109 | R1530 L1531 T1532 V1533 E1647 I1690 G1691 N1692 | R1530-V1649 HydrophobicContact CG-CG2 4.1Å; L1531-V1649 PolarHBondContact O-N 3.04Å; T1532-V1649 CarbonylContact C-O 3.49Å; T1532-V1649 VanDerWaalsContact CA-O 3.31Å; T1532-V1649 WeakPolarHBondContact CA-O 3.39Å; T1532-V1649 HydrophobicContact CG2-CB 4.29Å; V1533-V1649 PolarHBondContact N-O 3.2Å; E1647-V1649 HydrophobicContact CG-CG2 4.08Å; E1647-V1649 WeakPolarHBondContact OE1-CG2 3.39Å; V1649-I1690 HydrophobicContact CG1-CG2 3.84Å; V1649-G1691 WeakPolarHBondContact CA-O 3.37Å; V1649-N1692 WeakPolarHBondContact CG2-OD1 3.38Å |
| 1650 | Q | 72.3 | Confident | 71.9 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.5 | 171.5 | -171.1 | 178.3 | -46.1 | 0 | 0 | 109.4 | R1535 V1648 V1652 I1690 G1691 L1693 L1699 | R1535-Q1650 HydrophobicContact CG-CG 4.23Å; R1535-Q1650 VanDerWaalsContact CZ-OE1 3.25Å; V1648-Q1650 PolarHBondContact O-N 3.4Å; Q1650-V1652 HydrophobicContact CG-CG2 4.02Å; Q1650-V1652 VanDerWaalsContact NE2-CG2 3.27Å; Q1650-I1690 WeakPolarHBondContact O-CA 3.26Å; Q1650-G1691 PolarHBondContact N-O 3.19Å; Q1650-G1691 PolarHBondContact O-N 2.9Å; Q1650-G1691 VanDerWaalsContact O-N 3.09Å; Q1650-L1693 HydrophobicContact CB-CD1 4.05Å; Q1650-L1693 HydrophobicContact CB-CG 4.14Å; Q1650-L1693 HydrophobicContact CG-CD1 4.38Å; Q1650-L1693 VanDerWaalsContact OE1-CD1 3.27Å; Q1650-L1699 HydrophobicContact CB-CD2 4.47Å |
| 1651 | K | 76.2 | Confident | 73.6 | Confident | 64.6 Ų | 64.6 | 54.1 Ų | 54.1 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.2 | 166.8 | 178.6 | 175.1 | 167 | -122.4 | 0 | 108.5 | V1533 D1534 R1535 L1688 A1689 I1690 | V1533-K1651 PolarHBondContact O-N 3.19Å; D1534-K1651 WeakPolarHBondContact OD1-CB 3.4Å; D1534-K1651 WeakPolarHBondContact OD1-CD 3.34Å; D1534-K1651 WeakPolarHBondContact OD1-CG 3.35Å; D1534-K1651 IonicContact OD1-NZ 2.7Å; D1534-K1651 PolarHBondContact OD1-NZ 3.23Å; D1534-K1651 WeakPolarHBondContact OD2-CD 3.22Å; D1534-K1651 IonicContact OD2-NZ 2.95Å; D1534-K1651 PolarHBondContact OD2-NZ 3.22Å; R1535-K1651 PolarHBondContact N-O 3.05Å; K1651-L1688 HydrophobicContact CD-CD1 4.37Å; K1651-L1688 HydrophobicContact CG-CD1 4.04Å; K1651-A1689 CarbonylContact C-O 3.46Å; K1651-A1689 WeakPolarHBondContact CA-O 3.37Å; K1651-I1690 HydrophobicContact CG-CG1 4.29Å |
| 1652 | V | 79.1 | Confident | 75.5 | Confident | 23.6 Ų | 23.6 | 55.2 Ų | 55.2 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119 | 178.3 | -179 | 0 | 0 | 0 | 0 | 108.3 | R1535 F1537 Q1650 L1654 L1688 A1689 | R1535-V1652 WeakPolarHBondContact O-CA 3.35Å; F1537-V1652 HydrophobicContact CD2-CG1 3.83Å; F1537-V1652 HydrophobicContact CE2-CG1 3.89Å; Q1650-V1652 HydrophobicContact CG-CG2 4.02Å; Q1650-V1652 VanDerWaalsContact NE2-CG2 3.27Å; V1652-L1654 HydrophobicContact CG1-CB 4.44Å; V1652-L1688 CarbonylContact O-C 3.55Å; V1652-L1688 WeakPolarHBondContact O-CA 3.26Å; V1652-A1689 HydrophobicContact CB-CB 4.36Å; V1652-A1689 PolarHBondContact N-O 3.09Å; V1652-A1689 PolarHBondContact O-N 2.87Å |
| 1653 | D | 84 | Confident | 77.4 | Confident | 20.8 Ų | 20.8 | 49.9 Ų | 49.9 | 11% | 0.111 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 102.6 | 175.5 | 175.7 | 30.8 | 0 | 0 | 0 | 107.9 | R1535 Q1536 F1537 K1655 L1688 | R1535-D1653 PolarHBondContact O-N 3.1Å; Q1536-D1653 CarbonylContact C-O 3.51Å; Q1536-D1653 VanDerWaalsContact CA-O 3.29Å; Q1536-D1653 WeakPolarHBondContact CA-O 3.39Å; Q1536-D1653 HydrophobicContact CB-CB 4.42Å; Q1536-D1653 HydrophobicContact CG-CB 4.18Å; Q1536-D1653 WeakPolarHBondContact CG-OD2 3.49Å; Q1536-D1653 PolarHBondContact NE2-OD2 3.18Å; Q1536-D1653 VanDerWaalsContact NE2-OD2 3.11Å; F1537-D1653 PolarHBondContact N-O 3.14Å; D1653-K1655 WeakPolarHBondContact OD1-CE 3.33Å; D1653-K1655 IonicContact OD1-NZ 2.94Å; D1653-K1655 PolarHBondContact OD1-NZ 2.92Å; D1653-K1655 WeakPolarHBondContact OD2-CE 3.39Å; D1653-K1655 IonicContact OD2-NZ 3.57Å; D1653-K1655 PolarHBondContact OD2-NZ 3.44Å; D1653-L1688 HydrophobicContact CB-CD1 4.4Å |
| 1654 | L | 86.3 | Confident | 79.4 | Confident | 48.6 Ų | 48.6 | 44.1 Ų | 44.1 | 25% | 0.254 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.2 | -176.7 | 174.8 | 111.6 | 0 | 0 | 0 | 109.5 | F1537 Y1539 V1652 H1685 D1686 C1687 | F1537-L1654 HydrophobicContact CB-CB 4.33Å; F1537-L1654 HydrophobicContact CB-CD1 3.91Å; F1537-L1654 HydrophobicContact CB-CG 4.32Å; F1537-L1654 CarbonylContact O-C 3.57Å; F1537-L1654 WeakPolarHBondContact O-CA 3.35Å; Y1539-L1654 HydrophobicContact CD1-CD1 3.99Å; Y1539-L1654 HydrophobicContact CD1-CD2 4.47Å; Y1539-L1654 HydrophobicContact CE1-CD1 4.08Å; Y1539-L1654 HydrophobicContact CE1-CD2 4.11Å; Y1539-L1654 HydrophobicContact CE1-CG 4.34Å; V1652-L1654 HydrophobicContact CG1-CB 4.44Å; L1654-H1685 VanDerWaalsContact CD2-CE1 3.43Å; L1654-H1685 WeakPolarHBondContact CD2-CE1 3.24Å; L1654-D1686 CarbonylContact O-C 3.6Å; L1654-D1686 WeakPolarHBondContact O-CA 3.34Å; L1654-C1687 HydrophobicContact CB-CB 4.12Å; L1654-C1687 HydrophobicContact CD2-CB 4.03Å; L1654-C1687 HydrophobicContact CG-CB 4.48Å; L1654-C1687 PolarHBondContact N-O 3.21Å; L1654-C1687 PolarHBondContact O-N 2.85Å |
| 1655 | K | 88.3 | Confident | 81.2 | Confident | 77.4 Ų | 77.4 | 43.1 Ų | 43.1 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.3 | -178.2 | -55 | -163 | 166.4 | -101.9 | 0 | 111.4 | F1537 R1538 Y1539 D1653 H1685 D1686 | F1537-K1655 PolarHBondContact O-N 3.08Å; R1538-K1655 CarbonylContact C-O 3.42Å; R1538-K1655 VanDerWaalsContact CA-O 3.24Å; R1538-K1655 WeakPolarHBondContact CA-O 3.31Å; R1538-K1655 HydrophobicContact CG-CB 4.32Å; Y1539-K1655 VanDerWaalsContact CD1-O 3.27Å; Y1539-K1655 WeakPolarHBondContact CD1-O 3.42Å; Y1539-K1655 PolarHBondContact N-O 2.87Å; D1653-K1655 WeakPolarHBondContact OD1-CE 3.33Å; D1653-K1655 IonicContact OD1-NZ 2.94Å; D1653-K1655 PolarHBondContact OD1-NZ 2.92Å; D1653-K1655 WeakPolarHBondContact OD2-CE 3.39Å; D1653-K1655 IonicContact OD2-NZ 3.57Å; D1653-K1655 PolarHBondContact OD2-NZ 3.44Å; K1655-H1685 CarbonylContact C-O 3.5Å; K1655-H1685 VanDerWaalsContact CA-O 3.29Å; K1655-H1685 WeakPolarHBondContact CA-O 3.38Å; K1655-D1686 WeakPolarHBondContact CD-OD1 3.24Å; K1655-D1686 WeakPolarHBondContact CE-OD1 3.33Å; K1655-D1686 VanDerWaalsContact CG-OD1 3.25Å; K1655-D1686 WeakPolarHBondContact CG-OD1 3.31Å; K1655-D1686 VanDerWaalsContact NZ-CG 3.29Å; K1655-D1686 IonicContact NZ-OD1 3.61Å; K1655-D1686 PolarHBondContact NZ-OD1 3.1Å; K1655-D1686 IonicContact NZ-OD2 3.48Å |
| 1656 | G | 89.5 | Confident | 82.7 | Confident | 9.8 Ų | 9.8 | 44.2 Ų | 44.2 | 10% | 0.101 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1539 K1684 H1685 | Y1539-G1656 VanDerWaalsContact CE1-CA 3.46Å; Y1539-G1656 VanDerWaalsContact CZ-CA 3.48Å; Y1539-G1656 CarbonylContact O-C 3.53Å; Y1539-G1656 VanDerWaalsContact O-CA 3.32Å; Y1539-G1656 WeakPolarHBondContact O-CA 3.28Å; G1656-K1684 CarbonylContact O-C 3.55Å; G1656-K1684 VanDerWaalsContact O-CA 3.3Å; G1656-K1684 WeakPolarHBondContact O-CA 3.36Å; G1656-H1685 PolarHBondContact N-O 3.3Å; G1656-H1685 PolarHBondContact O-N 2.99Å |
| 1657 | K | 92.1 | Very high | 84 | Confident | 79.2 Ų | 79.2 | 42.4 Ų | 42.4 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.2 | 162.9 | -159.6 | -174.2 | -163 | -103.7 | 0 | 110 | Y1539 G1540 I1541 D1659 E1682 M1683 K1684 | Y1539-K1657 PolarHBondContact O-N 3.16Å; G1540-K1657 CarbonylContact C-O 3.52Å; G1540-K1657 VanDerWaalsContact CA-O 3.29Å; G1540-K1657 WeakPolarHBondContact CA-O 3.36Å; I1541-K1657 PolarHBondContact N-O 3.02Å; K1657-D1659 VanDerWaalsContact CE-OD1 3.27Å; K1657-D1659 WeakPolarHBondContact CE-OD1 3.28Å; K1657-D1659 IonicContact NZ-OD1 3.21Å; K1657-D1659 PolarHBondContact NZ-OD1 3.1Å; K1657-D1659 IonicContact NZ-OD2 2.92Å; K1657-D1659 PolarHBondContact NZ-OD2 3.14Å; K1657-E1682 WeakPolarHBondContact CE-OE1 3.37Å; K1657-E1682 IonicContact NZ-OE1 3.56Å; K1657-E1682 PolarHBondContact NZ-OE1 2.89Å; K1657-M1683 CarbonylContact C-O 3.57Å; K1657-M1683 VanDerWaalsContact CA-O 3.32Å; K1657-M1683 WeakPolarHBondContact CA-O 3.32Å; K1657-K1684 HydrophobicContact CG-CG 4.49Å |
| 1658 | A | 90.9 | Very high | 84.7 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 118.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1541 E1682 M1683 | I1541-A1658 HydrophobicContact CB-CB 3.89Å; I1541-A1658 HydrophobicContact CD1-CB 4.32Å; I1541-A1658 HydrophobicContact CG1-CB 4.24Å; I1541-A1658 CarbonylContact O-C 3.51Å; I1541-A1658 VanDerWaalsContact O-CA 3.27Å; I1541-A1658 WeakPolarHBondContact O-CA 3.31Å; A1658-E1682 CarbonylContact O-C 3.54Å; A1658-E1682 WeakPolarHBondContact O-CA 3.4Å; A1658-M1683 HydrophobicContact CB-CB 4.29Å; A1658-M1683 PolarHBondContact N-O 3.02Å; A1658-M1683 PolarHBondContact O-N 3.06Å |
| 1659 | D | 91.6 | Very high | 85 | Confident | 55.8 Ų | 55.8 | 45 Ų | 45 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.2 | 177.1 | -66.3 | -27.8 | 0 | 0 | 0 | 108.8 | I1541 D1542 L1543 K1657 L1681 E1682 | I1541-D1659 PolarHBondContact O-N 3.14Å; D1542-D1659 WeakPolarHBondContact CA-O 3.35Å; L1543-D1659 PolarHBondContact N-O 3.23Å; K1657-D1659 VanDerWaalsContact CE-OD1 3.27Å; K1657-D1659 WeakPolarHBondContact CE-OD1 3.28Å; K1657-D1659 IonicContact NZ-OD1 3.21Å; K1657-D1659 PolarHBondContact NZ-OD1 3.1Å; K1657-D1659 IonicContact NZ-OD2 2.92Å; K1657-D1659 PolarHBondContact NZ-OD2 3.14Å; D1659-L1681 CarbonylContact C-O 3.59Å; D1659-E1682 WeakPolarHBondContact OD1-CG 3.48Å |
| 1660 | I | 91.8 | Very high | 85.1 | Confident | 28.6 Ų | 28.6 | 46.9 Ų | 46.9 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 112.4 | -177.9 | -49.1 | -178.9 | 0 | 0 | 0 | 109 | L1543 V1663 F1680 L1681 | L1543-I1660 HydrophobicContact CB-CB 4.48Å; L1543-I1660 HydrophobicContact CB-CG1 4.2Å; L1543-I1660 HydrophobicContact CB-CG2 4.09Å; L1543-I1660 HydrophobicContact CD2-CD1 4.31Å; L1543-I1660 HydrophobicContact CD2-CG1 4.48Å; L1543-I1660 HydrophobicContact CD2-CG2 3.93Å; L1543-I1660 HydrophobicContact CG-CG2 4.16Å; L1543-I1660 WeakPolarHBondContact O-CA 3.36Å; I1660-V1663 HydrophobicContact CB-CG2 4.33Å; I1660-V1663 HydrophobicContact CG2-CG2 3.41Å; I1660-V1663 VanDerWaalsContact CG2-CG2 3.42Å; I1660-F1680 CarbonylContact O-C 3.51Å; I1660-F1680 VanDerWaalsContact O-CA 3.3Å; I1660-F1680 WeakPolarHBondContact O-CA 3.4Å; I1660-L1681 HydrophobicContact CB-CB 4.32Å; I1660-L1681 HydrophobicContact CD1-CD2 4.17Å; I1660-L1681 PolarHBondContact N-O 2.95Å; I1660-L1681 PolarHBondContact O-N 3.04Å |
| 1661 | N | 91.9 | Very high | 85 | Confident | 60.4 Ų | 60.4 | 50 Ų | 50 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -37.1 | -171.5 | -66.6 | -79.5 | 0 | 0 | 0 | 112.5 | D1542 L1543 K1544 Q1679 F1680 | D1542-N1661 PolarHBondContact OD1-ND2 3.12Å; L1543-N1661 PolarHBondContact O-N 3.28Å; L1543-N1661 PolarHBondContact O-ND2 3.23Å; L1543-N1661 VanDerWaalsContact O-ND2 3.13Å; K1544-N1661 WeakPolarHBondContact O-CB 3.26Å; N1661-Q1679 WeakPolarHBondContact O-CA 3.38Å; N1661-F1680 PolarHBondContact O-N 2.96Å |
| 1662 | R | 92.1 | Very high | 85.1 | Confident | 102.4 Ų | 102.4 | 48.4 Ų | 48.4 | 39% | 0.386 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 133.8 | 176 | -167.5 | 173.6 | 177.3 | -140.6 | -6.5 | 112.5 | K1544 G1545 C1546 E1664 D1677 M1678 | K1544-R1662 PolarHBondContact O-N 2.91Å; G1545-R1662 CarbonylContact C-O 3.52Å; G1545-R1662 WeakPolarHBondContact CA-O 3.28Å; C1546-R1662 PolarHBondContact N-O 3.05Å; R1662-E1664 IonicContact CZ-OE2 3.29Å; R1662-E1664 VanDerWaalsContact CZ-OE2 3.29Å; R1662-E1664 IonicContact NE-OE2 3.77Å; R1662-E1664 IonicContact NH1-OE2 3.39Å; R1662-E1664 PolarHBondContact NH1-OE2 3.26Å; R1662-E1664 VanDerWaalsContact NH1-OE2 3.13Å; R1662-E1664 VanDerWaalsContact NH2-CD 3.27Å; R1662-E1664 IonicContact NH2-OE1 3.17Å; R1662-E1664 IonicContact NH2-OE2 3.28Å; R1662-E1664 PolarHBondContact NH2-OE2 3.07Å; R1662-D1677 VanDerWaalsContact CG-OD1 3.27Å; R1662-D1677 WeakPolarHBondContact CG-OD1 3.39Å; R1662-D1677 IonicContact CZ-OD1 3.34Å; R1662-D1677 IonicContact CZ-OD2 3.3Å; R1662-D1677 VanDerWaalsContact CZ-OD2 3.24Å; R1662-D1677 VanDerWaalsContact NE-CG 3.33Å; R1662-D1677 IonicContact NE-OD1 3.26Å; R1662-D1677 PolarHBondContact NE-OD1 3.1Å; R1662-D1677 IonicContact NE-OD2 3.09Å; R1662-D1677 PolarHBondContact NE-OD2 2.95Å; R1662-D1677 IonicContact NH2-OD1 3.14Å; R1662-D1677 IonicContact NH2-OD2 3.38Å; R1662-D1677 PolarHBondContact NH2-OD2 3.18Å; R1662-M1678 CarbonylContact C-O 3.53Å; R1662-M1678 VanDerWaalsContact CA-O 3.29Å; R1662-M1678 WeakPolarHBondContact CA-O 3.39Å |
| 1663 | V | 91.2 | Very high | 85.1 | Confident | 19.4 Ų | 19.4 | 48.6 Ų | 48.6 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 110.3 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | C1546 I1660 V1665 D1677 M1678 L1681 | C1546-V1663 HydrophobicContact CB-CG1 4.36Å; C1546-V1663 HydrophobicContact CB-CG2 4.38Å; C1546-V1663 CarbonylContact O-C 3.51Å; C1546-V1663 WeakPolarHBondContact O-CA 3.37Å; I1660-V1663 HydrophobicContact CB-CG2 4.33Å; I1660-V1663 HydrophobicContact CG2-CG2 3.41Å; I1660-V1663 VanDerWaalsContact CG2-CG2 3.42Å; V1663-V1665 HydrophobicContact CG1-CG2 4.39Å; V1663-D1677 CarbonylContact O-C 3.59Å; V1663-D1677 WeakPolarHBondContact O-CA 3.42Å; V1663-M1678 HydrophobicContact CB-CB 4.28Å; V1663-M1678 PolarHBondContact N-O 2.92Å; V1663-M1678 PolarHBondContact O-N 3Å; V1663-L1681 HydrophobicContact CG2-CD2 4.44Å |
| 1664 | E | 91.1 | Very high | 85.2 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.5 | 179.1 | -177.6 | 168.5 | -165.6 | 0 | 0 | 110.8 | C1546 T1547 L1548 R1662 R1666 V1676 D1677 | C1546-E1664 PolarHBondContact O-N 2.93Å; T1547-E1664 CarbonylContact C-O 3.52Å; T1547-E1664 VanDerWaalsContact CA-O 3.23Å; T1547-E1664 WeakPolarHBondContact CA-O 3.41Å; T1547-E1664 HydrophobicContact CG2-CB 4.32Å; L1548-E1664 PolarHBondContact N-O 3.19Å; R1662-E1664 IonicContact CZ-OE2 3.29Å; R1662-E1664 VanDerWaalsContact CZ-OE2 3.29Å; R1662-E1664 IonicContact NE-OE2 3.77Å; R1662-E1664 IonicContact NH1-OE2 3.39Å; R1662-E1664 PolarHBondContact NH1-OE2 3.26Å; R1662-E1664 VanDerWaalsContact NH1-OE2 3.13Å; R1662-E1664 VanDerWaalsContact NH2-CD 3.27Å; R1662-E1664 IonicContact NH2-OE1 3.17Å; R1662-E1664 IonicContact NH2-OE2 3.28Å; R1662-E1664 PolarHBondContact NH2-OE2 3.07Å; E1664-R1666 VanDerWaalsContact CD-NH2 3.26Å; E1664-R1666 HydrophobicContact CG-CG 4.2Å; E1664-R1666 IonicContact OE1-CZ 3.06Å; E1664-R1666 IonicContact OE1-NE 2.99Å; E1664-R1666 PolarHBondContact OE1-NE 3.09Å; E1664-R1666 IonicContact OE1-NH2 2.94Å; E1664-R1666 PolarHBondContact OE1-NH2 3.03Å; E1664-R1666 IonicContact OE2-CZ 3.18Å; E1664-R1666 IonicContact OE2-NE 2.63Å; E1664-R1666 IonicContact OE2-NH2 3.35Å; E1664-R1666 PolarHBondContact OE2-NH2 3.07Å; E1664-V1676 CarbonylContact C-O 3.44Å; E1664-V1676 WeakPolarHBondContact CA-O 3.34Å; E1664-D1677 HydrophobicContact CG-CB 4.48Å |
| 1665 | V | 90.7 | Very high | 85.3 | Confident | 33.8 Ų | 33.8 | 47.5 Ų | 47.5 | 21% | 0.205 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.5 | 174 | -178.5 | 0 | 0 | 0 | 0 | 109 | L1548 F1550 V1663 G1675 V1676 | L1548-V1665 HydrophobicContact CB-CG1 4.44Å; L1548-V1665 HydrophobicContact CB-CG2 4.34Å; L1548-V1665 HydrophobicContact CD1-CG2 4.26Å; L1548-V1665 CarbonylContact O-C 3.54Å; L1548-V1665 WeakPolarHBondContact O-CA 3.34Å; F1550-V1665 HydrophobicContact CD2-CG1 3.75Å; F1550-V1665 HydrophobicContact CE2-CG1 3.65Å; V1663-V1665 HydrophobicContact CG1-CG2 4.39Å; V1665-G1675 CarbonylContact O-C 3.53Å; V1665-G1675 VanDerWaalsContact O-CA 3.27Å; V1665-G1675 WeakPolarHBondContact O-CA 3.37Å; V1665-V1676 HydrophobicContact CB-CB 4.33Å; V1665-V1676 PolarHBondContact N-O 3.05Å; V1665-V1676 PolarHBondContact O-N 2.93Å |
| 1666 | R | 86.8 | Confident | 85.5 | Confident | 110.2 Ų | 110.2 | 45.2 Ų | 45.2 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 114.5 | 173.8 | -64 | -176.5 | -176.9 | 176.7 | 3.6 | 110.2 | L1548 C1549 F1550 E1664 V1674 | L1548-R1666 PolarHBondContact O-N 3.03Å; C1549-R1666 CarbonylContact C-O 3.58Å; C1549-R1666 VanDerWaalsContact CA-O 3.29Å; C1549-R1666 WeakPolarHBondContact CA-O 3.19Å; F1550-R1666 PolarHBondContact N-O 2.93Å; E1664-R1666 VanDerWaalsContact CD-NH2 3.26Å; E1664-R1666 HydrophobicContact CG-CG 4.2Å; E1664-R1666 IonicContact OE1-CZ 3.06Å; E1664-R1666 IonicContact OE1-NE 2.99Å; E1664-R1666 PolarHBondContact OE1-NE 3.09Å; E1664-R1666 IonicContact OE1-NH2 2.94Å; E1664-R1666 PolarHBondContact OE1-NH2 3.03Å; E1664-R1666 IonicContact OE2-CZ 3.18Å; E1664-R1666 IonicContact OE2-NE 2.63Å; E1664-R1666 IonicContact OE2-NH2 3.35Å; E1664-R1666 PolarHBondContact OE2-NH2 3.07Å; R1666-V1674 CarbonylContact C-O 3.55Å; R1666-V1674 WeakPolarHBondContact CA-O 3.3Å |
| 1667 | A | 84.5 | Confident | 85.6 | Confident | 12.6 Ų | 12.6 | 45.5 Ų | 45.5 | 10% | 0.104 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1550 F1669 M1673 V1674 | F1550-A1667 HydrophobicContact CB-CB 4Å; F1550-A1667 CarbonylContact O-C 3.5Å; F1550-A1667 VanDerWaalsContact O-CA 3.3Å; F1550-A1667 WeakPolarHBondContact O-CA 3.34Å; A1667-F1669 HydrophobicContact CB-CD2 4.17Å; A1667-F1669 HydrophobicContact CB-CE2 3.46Å; A1667-F1669 VanDerWaalsContact CB-CE2 3.46Å; A1667-F1669 HydrophobicContact CB-CZ 3.98Å; A1667-M1673 CarbonylContact O-C 3.5Å; A1667-M1673 WeakPolarHBondContact O-CA 3.28Å; A1667-V1674 HydrophobicContact CB-CB 4.38Å; A1667-V1674 PolarHBondContact N-O 3.12Å; A1667-V1674 PolarHBondContact O-N 3.05Å |
| 1668 | L | 76.1 | Confident | 85.6 | Confident | 67.8 Ų | 67.8 | 44.4 Ų | 44.4 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 97.7 | -174.6 | -90.1 | 159 | 0 | 0 | 0 | 110.2 | F1550 M1673 | F1550-L1668 PolarHBondContact O-N 3Å; L1668-M1673 HydrophobicContact CD1-CG 4.45Å; L1668-M1673 HydrophobicContact CD2-CB 3.84Å; L1668-M1673 HydrophobicContact CD2-CG 3.61Å; L1668-M1673 HydrophobicContact CG-CB 4.3Å; L1668-M1673 HydrophobicContact CG-CG 4.02Å |
| 1669 | F | 70.5 | Confident | 85.6 | Confident | 65.4 Ų | 65.4 | 46.7 Ų | 46.7 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 87.2 | -180 | -59.9 | -77.4 | 0 | 0 | 0 | 109.6 | L1555 A1667 E1671 L1672 V1674 I1788 L1795 | L1555-F1669 HydrophobicContact CD1-CD1 4.27Å; L1555-F1669 HydrophobicContact CD1-CE1 3.63Å; L1555-F1669 VanDerWaalsContact CD1-CE1 3.47Å; L1555-F1669 HydrophobicContact CD1-CZ 4.13Å; A1667-F1669 HydrophobicContact CB-CD2 4.17Å; A1667-F1669 HydrophobicContact CB-CE2 3.46Å; A1667-F1669 VanDerWaalsContact CB-CE2 3.46Å; A1667-F1669 HydrophobicContact CB-CZ 3.98Å; F1669-E1671 PolarHBondContact O-N 2.92Å; F1669-L1672 CarbonylContact C-O 3.55Å; F1669-L1672 PolarHBondContact N-O 3.21Å; F1669-L1672 PolarHBondContact O-N 3.04Å; F1669-V1674 HydrophobicContact CD2-CG2 4.17Å; F1669-V1674 HydrophobicContact CE2-CG2 4.2Å; F1669-I1788 HydrophobicContact CB-CD1 4.21Å; F1669-I1788 HydrophobicContact CB-CG1 4.35Å; F1669-L1795 HydrophobicContact CD1-CD1 4.44Å; F1669-L1795 HydrophobicContact CE1-CD1 4.06Å |
| 1670 | T | 70.2 | Confident | 85.6 | Confident | 58.4 Ų | 58.4 | 48.6 Ų | 48.6 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -98.2 | -175.7 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | T1787 | T1670-T1787 HydrophobicContact CG2-CG2 4.41Å; T1670-T1787 WeakPolarHBondContact OG1-CB 3.23Å; T1670-T1787 PolarHBondContact OG1-OG1 2.96Å; T1670-T1787 VanDerWaalsContact OG1-OG1 3.12Å |
| 1671 | E | 71 | Confident | 85.5 | Confident | 80.8 Ų | 80.8 | 48.5 Ų | 48.5 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -20.1 | 178.3 | -64 | 176.4 | 168.7 | 0 | 0 | 112 | F1669 D1720 A1721 R1783 | F1669-E1671 PolarHBondContact O-N 2.92Å; E1671-D1720 CarbonylContact O-C 3.56Å; E1671-A1721 HydrophobicContact CB-CB 4.36Å; E1671-A1721 WeakPolarHBondContact O-CB 3.36Å; E1671-A1721 PolarHBondContact O-N 3.11Å; E1671-R1783 WeakPolarHBondContact OE2-CD 3.22Å; E1671-R1783 IonicContact OE2-NE 3.32Å; E1671-R1783 IonicContact OE2-NH1 3.16Å |
| 1672 | L | 76.3 | Confident | 85.5 | Confident | 32.4 Ų | 32.4 | 48.3 Ų | 48.3 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.8 | -178.6 | -165.8 | 81.2 | 0 | 0 | 0 | 111.3 | F1669 V1674 L1718 D1720 V1780 | F1669-L1672 CarbonylContact C-O 3.55Å; F1669-L1672 PolarHBondContact N-O 3.21Å; F1669-L1672 PolarHBondContact O-N 3.04Å; L1672-V1674 HydrophobicContact CD2-CG2 4.32Å; L1672-L1718 HydrophobicContact CD1-CD1 4.02Å; L1672-L1718 HydrophobicContact CD1-CG 4.31Å; L1672-L1718 HydrophobicContact CD2-CD1 4.03Å; L1672-L1718 HydrophobicContact CG-CD1 3.96Å; L1672-D1720 HydrophobicContact CD1-CB 4.42Å; L1672-V1780 HydrophobicContact CD1-CG1 4.14Å |
| 1673 | M | 80.4 | Confident | 85.5 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.8 | 172.8 | -169.1 | -101.6 | -69.3 | 0 | 0 | 110.5 | A1667 L1668 L1718 S1719 F1728 | A1667-M1673 CarbonylContact O-C 3.5Å; A1667-M1673 WeakPolarHBondContact O-CA 3.28Å; L1668-M1673 HydrophobicContact CD1-CG 4.45Å; L1668-M1673 HydrophobicContact CD2-CB 3.84Å; L1668-M1673 HydrophobicContact CD2-CG 3.61Å; L1668-M1673 HydrophobicContact CG-CB 4.3Å; L1668-M1673 HydrophobicContact CG-CG 4.02Å; M1673-L1718 WeakPolarHBondContact O-CA 3.27Å; M1673-S1719 WeakPolarHBondContact CE-OG 3.44Å; M1673-S1719 PolarHBondContact N-O 3.01Å; M1673-S1719 PolarHBondContact O-N 3.15Å; M1673-F1728 HydrophobicContact CB-CD1 4.38Å; M1673-F1728 HydrophobicContact CB-CE1 4.15Å; M1673-F1728 HydrophobicContact CE-CD1 3.64Å; M1673-F1728 HydrophobicContact CE-CD2 4.01Å; M1673-F1728 HydrophobicContact CE-CE1 3.41Å; M1673-F1728 VanDerWaalsContact CE-CE1 3.41Å; M1673-F1728 HydrophobicContact CE-CE2 3.81Å; M1673-F1728 HydrophobicContact CE-CG 3.93Å; M1673-F1728 HydrophobicContact CE-CZ 3.51Å |
| 1674 | V | 85.9 | Confident | 85.5 | Confident | 44.4 Ų | 44.4 | 49.1 Ų | 49.1 | 27% | 0.269 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.6 | 170.7 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | R1666 A1667 F1669 L1672 L1716 H1717 L1718 | R1666-V1674 CarbonylContact C-O 3.55Å; R1666-V1674 WeakPolarHBondContact CA-O 3.3Å; A1667-V1674 HydrophobicContact CB-CB 4.38Å; A1667-V1674 PolarHBondContact N-O 3.12Å; A1667-V1674 PolarHBondContact O-N 3.05Å; F1669-V1674 HydrophobicContact CD2-CG2 4.17Å; F1669-V1674 HydrophobicContact CE2-CG2 4.2Å; L1672-V1674 HydrophobicContact CD2-CG2 4.32Å; V1674-L1716 HydrophobicContact CG1-CD2 4.35Å; V1674-H1717 CarbonylContact C-O 3.53Å; V1674-H1717 WeakPolarHBondContact CA-O 3.17Å; V1674-L1718 HydrophobicContact CB-CD1 4.4Å; V1674-L1718 HydrophobicContact CG2-CD1 3.71Å |
| 1675 | G | 88.3 | Confident | 85.5 | Confident | 2.8 Ų | 2.8 | 50.3 Ų | 50.3 | 3% | 0.029 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1665 L1716 H1717 | V1665-G1675 CarbonylContact O-C 3.53Å; V1665-G1675 VanDerWaalsContact O-CA 3.27Å; V1665-G1675 WeakPolarHBondContact O-CA 3.37Å; G1675-L1716 CarbonylContact O-C 3.56Å; G1675-L1716 VanDerWaalsContact O-CA 3.31Å; G1675-L1716 WeakPolarHBondContact O-CA 3.32Å; G1675-H1717 VanDerWaalsContact C-CE1 3.49Å; G1675-H1717 WeakPolarHBondContact CA-NE2 3.45Å; G1675-H1717 PolarHBondContact N-O 3.3Å; G1675-H1717 PolarHBondContact O-N 2.97Å; G1675-H1717 PolarHBondContact O-ND1 2.82Å |
| 1676 | V | 92.2 | Very high | 85.4 | Confident | 28.6 Ų | 28.6 | 52.2 Ų | 52.2 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 114.8 | 173.5 | -170.1 | 0 | 0 | 0 | 0 | 108 | E1664 V1665 M1678 I1714 D1715 L1716 | E1664-V1676 CarbonylContact C-O 3.44Å; E1664-V1676 WeakPolarHBondContact CA-O 3.34Å; V1665-V1676 HydrophobicContact CB-CB 4.33Å; V1665-V1676 PolarHBondContact N-O 3.05Å; V1665-V1676 PolarHBondContact O-N 2.93Å; V1676-M1678 HydrophobicContact CG1-CE 3.83Å; V1676-M1678 HydrophobicContact CG1-CG 4.28Å; V1676-I1714 HydrophobicContact CG1-CG2 3.88Å; V1676-D1715 CarbonylContact C-O 3.5Å; V1676-D1715 WeakPolarHBondContact CA-O 3.37Å; V1676-L1716 HydrophobicContact CB-CD2 4.03Å; V1676-L1716 HydrophobicContact CG1-CD2 3.68Å; V1676-L1716 HydrophobicContact CG1-CG 4.38Å; V1676-L1716 HydrophobicContact CG2-CB 4.32Å; V1676-L1716 HydrophobicContact CG2-CD1 4Å; V1676-L1716 HydrophobicContact CG2-CD2 3.92Å; V1676-L1716 HydrophobicContact CG2-CG 4.04Å |
| 1677 | D | 92.1 | Very high | 85.2 | Confident | 16.2 Ų | 16.2 | 47.7 Ų | 47.7 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.4 | 176.5 | -170.4 | 17.3 | 0 | 0 | 0 | 109.9 | R1662 V1663 E1664 Q1679 I1714 D1715 | R1662-D1677 VanDerWaalsContact CG-OD1 3.27Å; R1662-D1677 WeakPolarHBondContact CG-OD1 3.39Å; R1662-D1677 IonicContact CZ-OD1 3.34Å; R1662-D1677 IonicContact CZ-OD2 3.3Å; R1662-D1677 VanDerWaalsContact CZ-OD2 3.24Å; R1662-D1677 VanDerWaalsContact NE-CG 3.33Å; R1662-D1677 IonicContact NE-OD1 3.26Å; R1662-D1677 PolarHBondContact NE-OD1 3.1Å; R1662-D1677 IonicContact NE-OD2 3.09Å; R1662-D1677 PolarHBondContact NE-OD2 2.95Å; R1662-D1677 IonicContact NH2-OD1 3.14Å; R1662-D1677 IonicContact NH2-OD2 3.38Å; R1662-D1677 PolarHBondContact NH2-OD2 3.18Å; V1663-D1677 CarbonylContact O-C 3.59Å; V1663-D1677 WeakPolarHBondContact O-CA 3.42Å; E1664-D1677 HydrophobicContact CG-CB 4.48Å; D1677-Q1679 WeakPolarHBondContact OD2-CG 3.41Å; D1677-Q1679 PolarHBondContact OD2-NE2 2.85Å; D1677-I1714 CarbonylContact O-C 3.54Å; D1677-I1714 WeakPolarHBondContact O-CA 3.4Å; D1677-D1715 HydrophobicContact CB-CB 4.46Å; D1677-D1715 PolarHBondContact N-O 3.17Å; D1677-D1715 PolarHBondContact O-N 3.24Å |
| 1678 | M | 91.7 | Very high | 85.1 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 28% | 0.276 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.1 | 178.7 | -52.3 | -175.9 | -175.4 | 0 | 0 | 109.5 | R1662 V1663 V1676 V1711 R1713 I1714 | R1662-M1678 CarbonylContact C-O 3.53Å; R1662-M1678 VanDerWaalsContact CA-O 3.29Å; R1662-M1678 WeakPolarHBondContact CA-O 3.39Å; V1663-M1678 HydrophobicContact CB-CB 4.28Å; V1663-M1678 PolarHBondContact N-O 2.92Å; V1663-M1678 PolarHBondContact O-N 3Å; V1676-M1678 HydrophobicContact CG1-CE 3.83Å; V1676-M1678 HydrophobicContact CG1-CG 4.28Å; M1678-V1711 HydrophobicContact CB-CG1 4.31Å; M1678-R1713 CarbonylContact C-O 3.54Å; M1678-R1713 WeakPolarHBondContact CA-O 3.33Å; M1678-I1714 HydrophobicContact CG-CG1 4.26Å; M1678-I1714 HydrophobicContact CG-CG2 4.29Å |
| 1679 | Q | 91.7 | Very high | 85 | Confident | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.8 | -179.1 | -57.8 | 176.6 | 10 | 0 | 0 | 110.2 | N1661 D1677 R1712 R1713 | N1661-Q1679 WeakPolarHBondContact O-CA 3.38Å; D1677-Q1679 WeakPolarHBondContact OD2-CG 3.41Å; D1677-Q1679 PolarHBondContact OD2-NE2 2.85Å; Q1679-R1712 WeakPolarHBondContact O-CB 3.31Å; Q1679-R1712 PolarHBondContact O-N 3.07Å; Q1679-R1713 HydrophobicContact CB-CB 4.34Å; Q1679-R1713 PolarHBondContact N-O 3.11Å; Q1679-R1713 PolarHBondContact O-N 3.23Å |
| 1680 | F | 90.9 | Very high | 84.9 | Confident | 95.6 Ų | 95.6 | 47.9 Ų | 47.9 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 75.9 | -178.7 | -53.5 | -86.3 | 0 | 0 | 0 | 112.8 | I1660 N1661 V1711 R1712 | I1660-F1680 CarbonylContact O-C 3.51Å; I1660-F1680 VanDerWaalsContact O-CA 3.3Å; I1660-F1680 WeakPolarHBondContact O-CA 3.4Å; N1661-F1680 PolarHBondContact O-N 2.96Å; F1680-V1711 WeakPolarHBondContact O-CA 3.32Å; F1680-R1712 HydrophobicContact CB-CB 3.88Å; F1680-R1712 HydrophobicContact CD2-CB 4.32Å; F1680-R1712 HydrophobicContact CG-CB 4.5Å; F1680-R1712 PolarHBondContact O-N 3.05Å; F1680-R1712 VanDerWaalsContact O-N 3.13Å |
| 1681 | L | 90.8 | Very high | 84.5 | Confident | 26.4 Ų | 26.4 | 45.5 Ų | 45.5 | 14% | 0.138 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110.2 | 167.7 | 165.9 | 62.8 | 0 | 0 | 0 | 108.8 | D1659 I1660 V1663 M1683 F1709 S1710 V1711 | D1659-L1681 CarbonylContact C-O 3.59Å; I1660-L1681 HydrophobicContact CB-CB 4.32Å; I1660-L1681 HydrophobicContact CD1-CD2 4.17Å; I1660-L1681 PolarHBondContact N-O 2.95Å; I1660-L1681 PolarHBondContact O-N 3.04Å; V1663-L1681 HydrophobicContact CG2-CD2 4.44Å; L1681-M1683 HydrophobicContact CD1-CG 3.75Å; L1681-M1683 HydrophobicContact CD1-SD 4.24Å; L1681-M1683 HydrophobicContact CD2-SD 4.33Å; L1681-M1683 HydrophobicContact CG-CG 4.12Å; L1681-M1683 HydrophobicContact CG-SD 4.39Å; L1681-F1709 HydrophobicContact CD1-CB 4.45Å; L1681-S1710 CarbonylContact C-O 3.55Å; L1681-S1710 VanDerWaalsContact CA-O 3.3Å; L1681-S1710 WeakPolarHBondContact CA-O 3.32Å; L1681-V1711 HydrophobicContact CB-CG2 4.34Å; L1681-V1711 HydrophobicContact CD1-CG2 3.67Å |
| 1682 | E | 91.7 | Very high | 84 | Confident | 56.8 Ų | 56.8 | 43.1 Ų | 43.1 | 27% | 0.265 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134 | 168 | 171.1 | 174.7 | -153.7 | 0 | 0 | 108.8 | K1657 A1658 D1659 K1684 F1709 S1710 | K1657-E1682 WeakPolarHBondContact CE-OE1 3.37Å; K1657-E1682 IonicContact NZ-OE1 3.56Å; K1657-E1682 PolarHBondContact NZ-OE1 2.89Å; A1658-E1682 CarbonylContact O-C 3.54Å; A1658-E1682 WeakPolarHBondContact O-CA 3.4Å; D1659-E1682 WeakPolarHBondContact OD1-CG 3.48Å; E1682-K1684 HydrophobicContact CG-CG 4.48Å; E1682-K1684 WeakPolarHBondContact OE1-CE 3.36Å; E1682-K1684 IonicContact OE1-NZ 3.5Å; E1682-K1684 IonicContact OE2-NZ 3.57Å; E1682-F1709 CarbonylContact O-C 3.55Å; E1682-F1709 VanDerWaalsContact O-CA 3.28Å; E1682-F1709 WeakPolarHBondContact O-CA 3.25Å; E1682-S1710 PolarHBondContact N-O 2.93Å; E1682-S1710 PolarHBondContact O-N 2.88Å |
| 1683 | M | 91.5 | Very high | 83 | Confident | 63.6 Ų | 63.6 | 44.9 Ų | 44.9 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.4 | 173.3 | -56.3 | 176.9 | 66.5 | 0 | 0 | 110.1 | K1657 A1658 L1681 L1707 E1708 F1709 | K1657-M1683 CarbonylContact C-O 3.57Å; K1657-M1683 VanDerWaalsContact CA-O 3.32Å; K1657-M1683 WeakPolarHBondContact CA-O 3.32Å; A1658-M1683 HydrophobicContact CB-CB 4.29Å; A1658-M1683 PolarHBondContact N-O 3.02Å; A1658-M1683 PolarHBondContact O-N 3.06Å; L1681-M1683 HydrophobicContact CD1-CG 3.75Å; L1681-M1683 HydrophobicContact CD1-SD 4.24Å; L1681-M1683 HydrophobicContact CD2-SD 4.33Å; L1681-M1683 HydrophobicContact CG-CG 4.12Å; L1681-M1683 HydrophobicContact CG-SD 4.39Å; M1683-L1707 HydrophobicContact CE-CD1 4.24Å; M1683-E1708 CarbonylContact C-O 3.54Å; M1683-E1708 WeakPolarHBondContact CA-O 3.27Å; M1683-F1709 HydrophobicContact CG-CB 4.12Å |
| 1684 | K | 91.9 | Very high | 81.6 | Confident | 75.6 Ų | 75.6 | 47.8 Ų | 47.8 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.8 | 172.6 | -55 | 177.9 | -162.4 | 132.3 | 0 | 109.1 | G1656 K1657 E1682 L1707 E1708 | G1656-K1684 CarbonylContact O-C 3.55Å; G1656-K1684 VanDerWaalsContact O-CA 3.3Å; G1656-K1684 WeakPolarHBondContact O-CA 3.36Å; K1657-K1684 HydrophobicContact CG-CG 4.49Å; E1682-K1684 HydrophobicContact CG-CG 4.48Å; E1682-K1684 WeakPolarHBondContact OE1-CE 3.36Å; E1682-K1684 IonicContact OE1-NZ 3.5Å; E1682-K1684 IonicContact OE2-NZ 3.57Å; K1684-L1707 CarbonylContact O-C 3.57Å; K1684-L1707 WeakPolarHBondContact O-CA 3.42Å; K1684-E1708 HydrophobicContact CB-CB 4.35Å; K1684-E1708 WeakPolarHBondContact CD-OE2 3.3Å; K1684-E1708 WeakPolarHBondContact CE-OE2 3.16Å; K1684-E1708 PolarHBondContact N-O 2.94Å; K1684-E1708 IonicContact NZ-OE1 3.28Å; K1684-E1708 IonicContact NZ-OE2 3.12Å; K1684-E1708 PolarHBondContact NZ-OE2 2.98Å; K1684-E1708 PolarHBondContact O-N 3.09Å; K1684-E1708 VanDerWaalsContact O-O 3.12Å |
| 1685 | H | 90.3 | Very high | 80.1 | Confident | 42.8 Ų | 42.8 | 54 Ų | 54 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.3 | -178.5 | 173.8 | -144.4 | 0 | 0 | 0 | 108.9 | Y1539 L1654 K1655 G1656 A1706 L1707 | Y1539-H1685 AromaticContact CE1-ND1 3.88Å; Y1539-H1685 AromaticContact CZ-ND1 3.84Å; Y1539-H1685 VanDerWaalsContact OH-CB 3.27Å; Y1539-H1685 WeakPolarHBondContact OH-CB 3.29Å; Y1539-H1685 PolarHBondContact OH-ND1 2.95Å; L1654-H1685 VanDerWaalsContact CD2-CE1 3.43Å; L1654-H1685 WeakPolarHBondContact CD2-CE1 3.24Å; K1655-H1685 CarbonylContact C-O 3.5Å; K1655-H1685 VanDerWaalsContact CA-O 3.29Å; K1655-H1685 WeakPolarHBondContact CA-O 3.38Å; G1656-H1685 PolarHBondContact N-O 3.3Å; G1656-H1685 PolarHBondContact O-N 2.99Å; H1685-A1706 CarbonylContact C-O 3.53Å; H1685-A1706 WeakPolarHBondContact CA-O 3.38Å; H1685-A1706 PolarHBondContact CD2-O 2.98Å; H1685-L1707 HydrophobicContact CB-CD1 4.03Å |
| 1686 | D | 87.4 | Confident | 78.3 | Confident | 73.8 Ų | 73.8 | 60.9 Ų | 60.9 | 40% | 0.395 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.2 | 173.6 | -76.2 | -51.1 | 0 | 0 | 0 | 108.4 | L1654 K1655 A1706 | L1654-D1686 CarbonylContact O-C 3.6Å; L1654-D1686 WeakPolarHBondContact O-CA 3.34Å; K1655-D1686 WeakPolarHBondContact CD-OD1 3.24Å; K1655-D1686 WeakPolarHBondContact CE-OD1 3.33Å; K1655-D1686 VanDerWaalsContact CG-OD1 3.25Å; K1655-D1686 WeakPolarHBondContact CG-OD1 3.31Å; K1655-D1686 VanDerWaalsContact NZ-CG 3.29Å; K1655-D1686 IonicContact NZ-OD1 3.61Å; K1655-D1686 PolarHBondContact NZ-OD1 3.1Å; K1655-D1686 IonicContact NZ-OD2 3.48Å; D1686-A1706 HydrophobicContact CB-CB 4.45Å; D1686-A1706 PolarHBondContact N-O 3.06Å; D1686-A1706 PolarHBondContact O-N 3.12Å |
| 1687 | C | 84.1 | Confident | 76.3 | Confident | 15.6 Ų | 15.6 | 64.9 Ų | 64.9 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124 | -179.8 | 167.5 | 0 | 0 | 0 | 0 | 109.2 | L1654 D1704 N1705 | L1654-C1687 HydrophobicContact CB-CB 4.12Å; L1654-C1687 HydrophobicContact CD2-CB 4.03Å; L1654-C1687 HydrophobicContact CG-CB 4.48Å; L1654-C1687 PolarHBondContact N-O 3.21Å; L1654-C1687 PolarHBondContact O-N 2.85Å; C1687-D1704 CarbonylContact C-O 3.51Å; C1687-D1704 WeakPolarHBondContact CA-O 3.36Å; C1687-N1705 WeakPolarHBondContact CB-OD1 3.25Å; C1687-N1705 PolarHBondContact SG-OD1 3.33Å |
| 1688 | L | 81.1 | Confident | 74.5 | Confident | 58.4 Ų | 58.4 | 68.3 Ų | 68.3 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 108.3 | 178.4 | -172.6 | 132.7 | 0 | 0 | 0 | 109.7 | K1651 V1652 D1653 I1690 A1703 D1704 | K1651-L1688 HydrophobicContact CD-CD1 4.37Å; K1651-L1688 HydrophobicContact CG-CD1 4.04Å; V1652-L1688 CarbonylContact O-C 3.55Å; V1652-L1688 WeakPolarHBondContact O-CA 3.26Å; D1653-L1688 HydrophobicContact CB-CD1 4.4Å; L1688-I1690 HydrophobicContact CD2-CD1 4.06Å; L1688-I1690 HydrophobicContact CD2-CG1 3.97Å; L1688-I1690 HydrophobicContact CG-CG1 4.45Å; L1688-A1703 WeakPolarHBondContact O-CA 3.35Å; L1688-D1704 HydrophobicContact CB-CB 4.45Å; L1688-D1704 PolarHBondContact N-O 2.99Å; L1688-D1704 PolarHBondContact O-N 2.92Å |
| 1689 | A | 74.6 | Confident | 72.7 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1651 V1652 L1699 A1703 | K1651-A1689 CarbonylContact C-O 3.46Å; K1651-A1689 WeakPolarHBondContact CA-O 3.37Å; V1652-A1689 HydrophobicContact CB-CB 4.36Å; V1652-A1689 PolarHBondContact N-O 3.09Å; V1652-A1689 PolarHBondContact O-N 2.87Å; A1689-L1699 WeakPolarHBondContact CB-O 3.37Å; A1689-A1703 HydrophobicContact CB-CB 3.94Å |
| 1690 | I | 67.8 | Low | 70.9 | Confident | 83.2 Ų | 83.2 | 72.2 Ų | 72.2 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.2 | 176.1 | -57.5 | 176 | 0 | 0 | 0 | 108.4 | V1649 Q1650 K1651 L1688 N1702 | V1649-I1690 HydrophobicContact CG1-CG2 3.84Å; Q1650-I1690 WeakPolarHBondContact O-CA 3.26Å; K1651-I1690 HydrophobicContact CG-CG1 4.29Å; L1688-I1690 HydrophobicContact CD2-CD1 4.06Å; L1688-I1690 HydrophobicContact CD2-CG1 3.97Å; L1688-I1690 HydrophobicContact CG-CG1 4.45Å; I1690-N1702 PolarHBondContact N-O 2.84Å; I1690-N1702 VanDerWaalsContact N-O 3.08Å; I1690-N1702 VanDerWaalsContact O-CB 3.22Å; I1690-N1702 WeakPolarHBondContact O-CB 3.21Å |
| 1691 | G | 63.3 | Low | 69.3 | Low | 8.4 Ų | 8.4 | 73.1 Ų | 73.1 | 9% | 0.087 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 162.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1649 Q1650 | V1649-G1691 WeakPolarHBondContact CA-O 3.37Å; Q1650-G1691 PolarHBondContact N-O 3.19Å; Q1650-G1691 PolarHBondContact O-N 2.9Å; Q1650-G1691 VanDerWaalsContact O-N 3.09Å |
| 1692 | N | 60.1 | Low | 67.9 | Low | 29.8 Ų | 29.8 | 75.8 Ų | 75.8 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111.3 | -175.6 | -144.3 | -23.4 | 0 | 0 | 0 | 110.4 | E1647 V1648 V1649 L1694 R1695 E1697 | E1647-N1692 WeakPolarHBondContact CG-OD1 3.3Å; E1647-N1692 PolarHBondContact OE1-ND2 3.04Å; V1648-N1692 PolarHBondContact N-OD1 2.91Å; V1648-N1692 CarbonylContact O-C 3.6Å; V1648-N1692 WeakPolarHBondContact O-CA 3.2Å; V1648-N1692 PolarHBondContact O-OD1 3.08Å; V1649-N1692 WeakPolarHBondContact CG2-OD1 3.38Å; N1692-L1694 PolarHBondContact O-N 3.09Å; N1692-L1694 VanDerWaalsContact O-N 3.08Å; N1692-L1694 PolarHBondContact OD1-N 3.09Å; N1692-R1695 HydrophobicContact CB-CB 4.39Å; N1692-R1695 CarbonylContact O-C 3.59Å; N1692-R1695 PolarHBondContact O-N 3.06Å; N1692-R1695 VanDerWaalsContact O-O 3.12Å; N1692-E1697 VanDerWaalsContact CB-OE2 3.3Å; N1692-E1697 WeakPolarHBondContact CB-OE2 3.35Å |
| 1693 | L | 56.1 | Low | 66.8 | Low | 71 Ų | 71 | 73.4 Ų | 73.4 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.6 | -173.6 | -114.8 | 168.6 | 0 | 0 | 0 | 113.6 | V1648 Q1650 | V1648-L1693 HydrophobicContact CB-CB 4.25Å; V1648-L1693 HydrophobicContact CG1-CB 4.09Å; V1648-L1693 HydrophobicContact CG1-CD1 3.92Å; V1648-L1693 HydrophobicContact CG1-CG 4.44Å; V1648-L1693 WeakPolarHBondContact O-CB 3.32Å; V1648-L1693 PolarHBondContact O-N 3.08Å; Q1650-L1693 HydrophobicContact CB-CD1 4.05Å; Q1650-L1693 HydrophobicContact CB-CG 4.14Å; Q1650-L1693 HydrophobicContact CG-CD1 4.38Å; Q1650-L1693 VanDerWaalsContact OE1-CD1 3.27Å |
| 1694 | L | 50.4 | Low | 66.1 | Low | 85.8 Ų | 85.8 | 73.1 Ų | 73.1 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10.7 | -179.7 | -69.1 | 170.5 | 0 | 0 | 0 | 114 | F1640 C1644 Y1646 V1648 N1692 | F1640-L1694 HydrophobicContact CB-CD2 4.24Å; C1644-L1694 HydrophobicContact CB-CD1 3.77Å; Y1646-L1694 HydrophobicContact CD2-CD1 4.46Å; Y1646-L1694 HydrophobicContact CE2-CD1 4.37Å; Y1646-L1694 VanDerWaalsContact O-CD1 3.26Å; Y1646-L1694 WeakPolarHBondContact O-CD1 3.44Å; V1648-L1694 HydrophobicContact CB-CD1 4.15Å; V1648-L1694 HydrophobicContact CB-CG 4.2Å; V1648-L1694 HydrophobicContact CG2-CD1 3.64Å; V1648-L1694 HydrophobicContact CG2-CG 4.1Å; N1692-L1694 PolarHBondContact O-N 3.09Å; N1692-L1694 VanDerWaalsContact O-N 3.08Å; N1692-L1694 PolarHBondContact OD1-N 3.09Å |
| 1695 | R | 53 | Low | 65.7 | Low | 175.2 Ų | 175.2 | 72 Ų | 72 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 28.5 | 178.2 | -78.2 | -171.8 | 167.6 | -166.5 | -3 | 112.7 | N1692 E1697 D1698 | N1692-R1695 HydrophobicContact CB-CB 4.39Å; N1692-R1695 CarbonylContact O-C 3.59Å; N1692-R1695 PolarHBondContact O-N 3.06Å; N1692-R1695 VanDerWaalsContact O-O 3.12Å; R1695-E1697 HydrophobicContact CB-CG 3.94Å; R1695-E1697 WeakPolarHBondContact CD-OE1 3.32Å; R1695-E1697 IonicContact CZ-OE1 3.14Å; R1695-E1697 IonicContact NE-OE1 3.59Å; R1695-E1697 IonicContact NH1-OE1 3.2Å; R1695-E1697 PolarHBondContact NH1-OE1 3.16Å; R1695-E1697 PolarHBondContact O-N 3.14Å; R1695-D1698 HydrophobicContact CB-CB 4.31Å; R1695-D1698 VanDerWaalsContact CB-OD2 3.24Å; R1695-D1698 WeakPolarHBondContact CB-OD2 3.47Å; R1695-D1698 WeakPolarHBondContact CD-OD2 3.39Å; R1695-D1698 PolarHBondContact O-N 3.12Å |
| 1696 | N | 51 | Low | 65.5 | Low | 147.6 Ų | 147.6 | 72 Ų | 72 | 79% | 0.789 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 15.3 | 15.4 | -173.8 | -78.1 | -7.7 | 0 | 0 | 0 | 113.6 | D1698 | N1696-D1698 PolarHBondContact O-N 3.28Š|
| 1697 | E | 51.6 | Low | 65.7 | Low | 113.4 Ų | 113.4 | 71.2 Ų | 71.2 | 53% | 0.53 | 37% | 0.371 | S | S | . | . | trans | -78.5 | 87.4 | 174.5 | -68.3 | 176.8 | 177.9 | 0 | 0 | 111 | N1692 R1695 L1699 N1701 | N1692-E1697 VanDerWaalsContact CB-OE2 3.3Å; N1692-E1697 WeakPolarHBondContact CB-OE2 3.35Å; R1695-E1697 HydrophobicContact CB-CG 3.94Å; R1695-E1697 WeakPolarHBondContact CD-OE1 3.32Å; R1695-E1697 IonicContact CZ-OE1 3.14Å; R1695-E1697 IonicContact NE-OE1 3.59Å; R1695-E1697 IonicContact NH1-OE1 3.2Å; R1695-E1697 PolarHBondContact NH1-OE1 3.16Å; R1695-E1697 PolarHBondContact O-N 3.14Å; E1697-L1699 PolarHBondContact O-N 2.86Å; E1697-N1701 PolarHBondContact O-ND2 2.64Å | ||
| 1698 | D | 53.2 | Low | 66 | Low | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | trans | -71.3 | 60.3 | -173.3 | -72.3 | -33.2 | 0 | 0 | 0 | 112.7 | R1695 N1696 L1700 N1701 N1702 | R1695-D1698 HydrophobicContact CB-CB 4.31Å; R1695-D1698 VanDerWaalsContact CB-OD2 3.24Å; R1695-D1698 WeakPolarHBondContact CB-OD2 3.47Å; R1695-D1698 WeakPolarHBondContact CD-OD2 3.39Å; R1695-D1698 PolarHBondContact O-N 3.12Å; N1696-D1698 PolarHBondContact O-N 3.28Å; D1698-L1700 PolarHBondContact O-N 2.98Å; D1698-N1701 HydrophobicContact CB-CB 4.37Å; D1698-N1701 VanDerWaalsContact CB-ND2 3.28Å; D1698-N1701 WeakPolarHBondContact CB-ND2 3.41Å; D1698-N1701 PolarHBondContact O-N 3.02Å; D1698-N1701 PolarHBondContact OD2-ND2 3.43Å; D1698-N1702 WeakPolarHBondContact O-CB 3.37Å; D1698-N1702 PolarHBondContact O-N 3.46Å; D1698-N1702 VanDerWaalsContact O-N 3.15Å | ||
| 1699 | L | 54 | Low | 66.5 | Low | 47.4 Ų | 47.4 | 75.4 Ų | 75.4 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.6 | -176.3 | -84.2 | 161.2 | 0 | 0 | 0 | 114.6 | Q1650 A1689 E1697 | Q1650-L1699 HydrophobicContact CB-CD2 4.47Å; A1689-L1699 WeakPolarHBondContact CB-O 3.37Å; E1697-L1699 PolarHBondContact O-N 2.86Å |
| 1700 | L | 54.5 | Low | 67.4 | Low | 149 Ų | 149 | 76.6 Ų | 76.6 | 78% | 0.78 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -25.5 | -178.8 | -69.7 | 170.3 | 0 | 0 | 0 | 113.5 | D1698 N1702 | D1698-L1700 PolarHBondContact O-N 2.98Å; L1700-N1702 VanDerWaalsContact C-N 3.34Å |
| 1701 | N | 57.3 | Low | 68.5 | Low | 116 Ų | 116 | 73.1 Ų | 73.1 | 62% | 0.62 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -26.4 | -178.2 | -68.8 | -27.3 | 0 | 0 | 0 | 112.3 | E1697 D1698 A1747 | E1697-N1701 PolarHBondContact O-ND2 2.64Å; D1698-N1701 HydrophobicContact CB-CB 4.37Å; D1698-N1701 VanDerWaalsContact CB-ND2 3.28Å; D1698-N1701 WeakPolarHBondContact CB-ND2 3.41Å; D1698-N1701 PolarHBondContact O-N 3.02Å; D1698-N1701 PolarHBondContact OD2-ND2 3.43Å; N1701-A1747 WeakPolarHBondContact O-CB 3.49Å |
| 1702 | N | 60.4 | Low | 69.9 | Low | 82 Ų | 82 | 80.2 Ų | 80.2 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 42.2 | 179.3 | -65.1 | -20.5 | 0 | 0 | 0 | 111.8 | I1690 D1698 L1700 | I1690-N1702 PolarHBondContact N-O 2.84Å; I1690-N1702 VanDerWaalsContact N-O 3.08Å; I1690-N1702 VanDerWaalsContact O-CB 3.22Å; I1690-N1702 WeakPolarHBondContact O-CB 3.21Å; D1698-N1702 WeakPolarHBondContact O-CB 3.37Å; D1698-N1702 PolarHBondContact O-N 3.46Å; D1698-N1702 VanDerWaalsContact O-N 3.15Å; L1700-N1702 VanDerWaalsContact C-N 3.34Å |
| 1703 | A | 68.6 | Low | 71.5 | Confident | 6 Ų | 6 | 82.5 Ų | 82.5 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1688 A1689 N1705 | L1688-A1703 WeakPolarHBondContact O-CA 3.35Å; A1689-A1703 HydrophobicContact CB-CB 3.94Å; A1703-N1705 WeakPolarHBondContact CB-ND2 3.29Å; A1703-N1705 PolarHBondContact O-N 2.97Å; A1703-N1705 PolarHBondContact O-ND2 3.22Å |
| 1704 | D | 77.3 | Confident | 73.2 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 32% | 0.316 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.3 | 165.3 | -73.7 | -22.3 | 0 | 0 | 0 | 108.1 | C1687 L1688 S1745 M1746 A1747 | C1687-D1704 CarbonylContact C-O 3.51Å; C1687-D1704 WeakPolarHBondContact CA-O 3.36Å; L1688-D1704 HydrophobicContact CB-CB 4.45Å; L1688-D1704 PolarHBondContact N-O 2.99Å; L1688-D1704 PolarHBondContact O-N 2.92Å; D1704-S1745 WeakPolarHBondContact CA-O 3.37Å; D1704-M1746 VanDerWaalsContact OD1-CA 3.29Å; D1704-M1746 WeakPolarHBondContact OD1-CA 3.41Å; D1704-M1746 WeakPolarHBondContact OD1-CB 3.39Å; D1704-M1746 WeakPolarHBondContact OD2-CE 3.38Å; D1704-A1747 PolarHBondContact OD1-N 3.14Å |
| 1705 | N | 83.6 | Confident | 75.3 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130 | -176.6 | -67.6 | -74.1 | 0 | 0 | 0 | 110.2 | C1687 A1703 S1744 S1745 | C1687-N1705 WeakPolarHBondContact CB-OD1 3.25Å; C1687-N1705 PolarHBondContact SG-OD1 3.33Å; A1703-N1705 WeakPolarHBondContact CB-ND2 3.29Å; A1703-N1705 PolarHBondContact O-N 2.97Å; A1703-N1705 PolarHBondContact O-ND2 3.22Å; N1705-S1744 CarbonylContact O-C 3.54Å; N1705-S1744 VanDerWaalsContact O-CA 3.25Å; N1705-S1744 WeakPolarHBondContact O-CA 3.39Å; N1705-S1745 PolarHBondContact N-O 2.95Å; N1705-S1745 PolarHBondContact O-N 2.99Å |
| 1706 | A | 87 | Confident | 77.1 | Confident | 41.6 Ų | 41.6 | 71.7 Ų | 71.7 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H1685 D1686 F1743 | H1685-A1706 CarbonylContact C-O 3.53Å; H1685-A1706 WeakPolarHBondContact CA-O 3.38Å; H1685-A1706 PolarHBondContact CD2-O 2.98Å; D1686-A1706 HydrophobicContact CB-CB 4.45Å; D1686-A1706 PolarHBondContact N-O 3.06Å; D1686-A1706 PolarHBondContact O-N 3.12Å; A1706-F1743 CarbonylContact C-O 3.54Å; A1706-F1743 WeakPolarHBondContact CA-O 3.37Å |
| 1707 | L | 89.9 | Confident | 78.9 | Confident | 57.6 Ų | 57.6 | 67.2 Ų | 67.2 | 30% | 0.302 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 115.5 | 179.3 | 179.7 | 73.8 | 0 | 0 | 0 | 108.9 | M1683 K1684 H1685 S1742 F1743 | M1683-L1707 HydrophobicContact CE-CD1 4.24Å; K1684-L1707 CarbonylContact O-C 3.57Å; K1684-L1707 WeakPolarHBondContact O-CA 3.42Å; H1685-L1707 HydrophobicContact CB-CD1 4.03Å; L1707-S1742 CarbonylContact O-C 3.52Å; L1707-S1742 VanDerWaalsContact O-CA 3.3Å; L1707-S1742 WeakPolarHBondContact O-CA 3.36Å; L1707-F1743 HydrophobicContact CB-CB 4.45Å; L1707-F1743 PolarHBondContact N-O 2.95Å; L1707-F1743 PolarHBondContact O-N 3.19Å |
| 1708 | E | 90.8 | Very high | 80.6 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.8 | 169.7 | -157.8 | -173.5 | -158.2 | 0 | 0 | 109.3 | M1683 K1684 V1740 G1741 | M1683-E1708 CarbonylContact C-O 3.54Å; M1683-E1708 WeakPolarHBondContact CA-O 3.27Å; K1684-E1708 HydrophobicContact CB-CB 4.35Å; K1684-E1708 WeakPolarHBondContact CD-OE2 3.3Å; K1684-E1708 WeakPolarHBondContact CE-OE2 3.16Å; K1684-E1708 PolarHBondContact N-O 2.94Å; K1684-E1708 IonicContact NZ-OE1 3.28Å; K1684-E1708 IonicContact NZ-OE2 3.12Å; K1684-E1708 PolarHBondContact NZ-OE2 2.98Å; K1684-E1708 PolarHBondContact O-N 3.09Å; K1684-E1708 VanDerWaalsContact O-O 3.12Å; E1708-V1740 HydrophobicContact CG-CG1 4.46Å; E1708-G1741 CarbonylContact C-O 3.57Å; E1708-G1741 WeakPolarHBondContact CA-O 3.28Å |
| 1709 | F | 91.9 | Very high | 82 | Confident | 77.4 Ų | 77.4 | 60 Ų | 60 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144 | 169.7 | 63.1 | -89.6 | 0 | 0 | 0 | 110.8 | L1681 E1682 M1683 V1740 G1741 | L1681-F1709 HydrophobicContact CD1-CB 4.45Å; E1682-F1709 CarbonylContact O-C 3.55Å; E1682-F1709 VanDerWaalsContact O-CA 3.28Å; E1682-F1709 WeakPolarHBondContact O-CA 3.25Å; M1683-F1709 HydrophobicContact CG-CB 4.12Å; F1709-V1740 CarbonylContact O-C 3.53Å; F1709-V1740 VanDerWaalsContact O-CA 3.31Å; F1709-V1740 WeakPolarHBondContact O-CA 3.36Å; F1709-V1740 WeakPolarHBondContact O-CG1 3.33Å; F1709-G1741 WeakPolarHBondContact CD1-O 3.39Å; F1709-G1741 VanDerWaalsContact CZ-CA 3.45Å; F1709-G1741 PolarHBondContact N-O 3.23Å; F1709-G1741 PolarHBondContact O-N 2.93Å |
| 1710 | S | 93.1 | Very high | 83.3 | Confident | 33.6 Ų | 33.6 | 58 Ų | 58 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.2 | 175.9 | 116.3 | 0 | 0 | 0 | 0 | 109.9 | L1681 E1682 S1739 | L1681-S1710 CarbonylContact C-O 3.55Å; L1681-S1710 VanDerWaalsContact CA-O 3.3Å; L1681-S1710 WeakPolarHBondContact CA-O 3.32Å; E1682-S1710 PolarHBondContact N-O 2.93Å; E1682-S1710 PolarHBondContact O-N 2.88Å; S1710-S1739 CarbonylContact C-O 3.55Å; S1710-S1739 WeakPolarHBondContact CA-O 3.41Å |
| 1711 | V | 92.2 | Very high | 83.9 | Confident | 10.8 Ų | 10.8 | 51.6 Ų | 51.6 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.3 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | M1678 F1680 L1681 R1713 I1714 S1739 | M1678-V1711 HydrophobicContact CB-CG1 4.31Å; F1680-V1711 WeakPolarHBondContact O-CA 3.32Å; L1681-V1711 HydrophobicContact CB-CG2 4.34Å; L1681-V1711 HydrophobicContact CD1-CG2 3.67Å; V1711-R1713 WeakPolarHBondContact CG1-O 3.37Å; V1711-I1714 HydrophobicContact CB-CD1 4.33Å; V1711-I1714 HydrophobicContact CB-CG1 4.27Å; V1711-I1714 HydrophobicContact CG1-CD1 4.09Å; V1711-I1714 HydrophobicContact CG1-CG1 3.54Å; V1711-I1714 VanDerWaalsContact CG1-CG1 3.43Å; V1711-I1714 HydrophobicContact CG2-CD1 4.46Å; V1711-S1739 PolarHBondContact N-O 3.16Å; V1711-S1739 PolarHBondContact O-N 3.05Å |
| 1712 | R | 92.7 | Very high | 83.9 | Confident | 158 Ų | 158 | 50.3 Ų | 50.3 | 60% | 0.596 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -40.4 | -177.7 | -174.5 | -178.3 | 178.7 | 174.2 | -0 | 112.3 | Q1679 F1680 E1737 Q1738 | Q1679-R1712 WeakPolarHBondContact O-CB 3.31Å; Q1679-R1712 PolarHBondContact O-N 3.07Å; F1680-R1712 HydrophobicContact CB-CB 3.88Å; F1680-R1712 HydrophobicContact CD2-CB 4.32Å; F1680-R1712 HydrophobicContact CG-CB 4.5Å; F1680-R1712 PolarHBondContact O-N 3.05Å; F1680-R1712 VanDerWaalsContact O-N 3.13Å; R1712-E1737 CarbonylContact O-C 3.55Å; R1712-E1737 WeakPolarHBondContact O-CA 3.43Å; R1712-Q1738 PolarHBondContact O-N 3.05Å |
| 1713 | R | 92.6 | Very high | 83.6 | Confident | 76.4 Ų | 76.4 | 52.4 Ų | 52.4 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 140.5 | 179.9 | -177 | 169.7 | 169.8 | 128.2 | 1 | 111.6 | M1678 Q1679 V1711 D1715 V1736 E1737 | M1678-R1713 CarbonylContact C-O 3.54Å; M1678-R1713 WeakPolarHBondContact CA-O 3.33Å; Q1679-R1713 HydrophobicContact CB-CB 4.34Å; Q1679-R1713 PolarHBondContact N-O 3.11Å; Q1679-R1713 PolarHBondContact O-N 3.23Å; V1711-R1713 WeakPolarHBondContact CG1-O 3.37Å; R1713-D1715 IonicContact CZ-OD1 3.3Å; R1713-D1715 IonicContact CZ-OD2 3.59Å; R1713-D1715 VanDerWaalsContact CZ-OD2 3.29Å; R1713-D1715 VanDerWaalsContact NE-CG 3.29Å; R1713-D1715 IonicContact NE-OD1 3.28Å; R1713-D1715 PolarHBondContact NE-OD1 3.03Å; R1713-D1715 VanDerWaalsContact NE-OD1 3.17Å; R1713-D1715 IonicContact NE-OD2 3.3Å; R1713-D1715 PolarHBondContact NE-OD2 2.89Å; R1713-D1715 IonicContact NH2-OD1 3.47Å; R1713-D1715 PolarHBondContact NH2-OD1 2.99Å; R1713-D1715 IonicContact NH2-OD2 2.95Å; R1713-D1715 PolarHBondContact NH2-OD2 3.13Å; R1713-V1736 CarbonylContact C-O 3.49Å; R1713-V1736 VanDerWaalsContact CA-O 3.31Å; R1713-V1736 WeakPolarHBondContact CA-O 3.45Å; R1713-E1737 HydrophobicContact CG-CG 4.42Å; R1713-E1737 IonicContact CZ-OE1 2.84Å; R1713-E1737 IonicContact NH1-OE1 2.81Å; R1713-E1737 PolarHBondContact NH1-OE1 3.09Å |
| 1714 | I | 93 | Very high | 82.6 | Confident | 36.6 Ų | 36.6 | 57.8 Ų | 57.8 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 114.3 | 173.2 | -56.1 | 172.6 | 0 | 0 | 0 | 107.6 | V1676 D1677 M1678 V1711 L1716 A1735 V1736 | V1676-I1714 HydrophobicContact CG1-CG2 3.88Å; D1677-I1714 CarbonylContact O-C 3.54Å; D1677-I1714 WeakPolarHBondContact O-CA 3.4Å; M1678-I1714 HydrophobicContact CG-CG1 4.26Å; M1678-I1714 HydrophobicContact CG-CG2 4.29Å; V1711-I1714 HydrophobicContact CB-CD1 4.33Å; V1711-I1714 HydrophobicContact CB-CG1 4.27Å; V1711-I1714 HydrophobicContact CG1-CD1 4.09Å; V1711-I1714 HydrophobicContact CG1-CG1 3.54Å; V1711-I1714 VanDerWaalsContact CG1-CG1 3.43Å; V1711-I1714 HydrophobicContact CG2-CD1 4.46Å; I1714-L1716 HydrophobicContact CG2-CG 4.38Å; I1714-A1735 CarbonylContact O-C 3.48Å; I1714-A1735 VanDerWaalsContact O-CA 3.29Å; I1714-A1735 WeakPolarHBondContact O-CA 3.34Å; I1714-V1736 HydrophobicContact CB-CB 4.33Å; I1714-V1736 PolarHBondContact N-O 3.23Å; I1714-V1736 PolarHBondContact O-N 2.92Å |
| 1715 | D | 92.6 | Very high | 81.4 | Confident | 18 Ų | 18 | 63 Ų | 63 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.5 | 174.1 | -71.1 | -57 | 0 | 0 | 0 | 110.2 | V1676 D1677 R1713 H1717 M1734 A1735 | V1676-D1715 CarbonylContact C-O 3.5Å; V1676-D1715 WeakPolarHBondContact CA-O 3.37Å; D1677-D1715 HydrophobicContact CB-CB 4.46Å; D1677-D1715 PolarHBondContact N-O 3.17Å; D1677-D1715 PolarHBondContact O-N 3.24Å; R1713-D1715 IonicContact CZ-OD1 3.3Å; R1713-D1715 IonicContact CZ-OD2 3.59Å; R1713-D1715 VanDerWaalsContact CZ-OD2 3.29Å; R1713-D1715 VanDerWaalsContact NE-CG 3.29Å; R1713-D1715 IonicContact NE-OD1 3.28Å; R1713-D1715 PolarHBondContact NE-OD1 3.03Å; R1713-D1715 VanDerWaalsContact NE-OD1 3.17Å; R1713-D1715 IonicContact NE-OD2 3.3Å; R1713-D1715 PolarHBondContact NE-OD2 2.89Å; R1713-D1715 IonicContact NH2-OD1 3.47Å; R1713-D1715 PolarHBondContact NH2-OD1 2.99Å; R1713-D1715 IonicContact NH2-OD2 2.95Å; R1713-D1715 PolarHBondContact NH2-OD2 3.13Å; D1715-H1717 WeakPolarHBondContact CB-NE2 3.35Å; D1715-H1717 PolarHBondContact O-ND1 2.85Å; D1715-M1734 CarbonylContact C-O 3.56Å; D1715-M1734 WeakPolarHBondContact CA-O 3.19Å; D1715-A1735 VanDerWaalsContact OD1-CB 3.28Å; D1715-A1735 WeakPolarHBondContact OD1-CB 3.36Å |
| 1716 | L | 91.9 | Very high | 79.9 | Confident | 50.8 Ų | 50.8 | 65.9 Ų | 65.9 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.4 | 173 | -139 | 160.5 | 0 | 0 | 0 | 109.2 | V1674 G1675 V1676 I1714 L1732 Q1733 M1734 | V1674-L1716 HydrophobicContact CG1-CD2 4.35Å; G1675-L1716 CarbonylContact O-C 3.56Å; G1675-L1716 VanDerWaalsContact O-CA 3.31Å; G1675-L1716 WeakPolarHBondContact O-CA 3.32Å; V1676-L1716 HydrophobicContact CB-CD2 4.03Å; V1676-L1716 HydrophobicContact CG1-CD2 3.68Å; V1676-L1716 HydrophobicContact CG1-CG 4.38Å; V1676-L1716 HydrophobicContact CG2-CB 4.32Å; V1676-L1716 HydrophobicContact CG2-CD1 4Å; V1676-L1716 HydrophobicContact CG2-CD2 3.92Å; V1676-L1716 HydrophobicContact CG2-CG 4.04Å; I1714-L1716 HydrophobicContact CG2-CG 4.38Å; L1716-L1732 HydrophobicContact CD2-CD2 3.65Å; L1716-Q1733 CarbonylContact O-C 3.5Å; L1716-Q1733 WeakPolarHBondContact O-CA 3.29Å; L1716-M1734 HydrophobicContact CB-CB 4.12Å; L1716-M1734 HydrophobicContact CB-CE 4.02Å; L1716-M1734 HydrophobicContact CD1-CB 4.28Å; L1716-M1734 HydrophobicContact CD1-CE 3.95Å; L1716-M1734 HydrophobicContact CD1-CG 3.97Å; L1716-M1734 HydrophobicContact CD1-SD 3.85Å; L1716-M1734 VanDerWaalsContact CD1-SD 3.58Å; L1716-M1734 HydrophobicContact CD2-CB 4.45Å; L1716-M1734 HydrophobicContact CG-CE 4.5Å; L1716-M1734 PolarHBondContact N-O 3.26Å; L1716-M1734 PolarHBondContact O-N 2.97Å |
| 1717 | H | 88.5 | Confident | 78.5 | Confident | 54.2 Ų | 54.2 | 68.9 Ų | 68.9 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.4 | -179.5 | 12.5 | -82.2 | 0 | 0 | 0 | 110.6 | V1674 G1675 D1715 | V1674-H1717 CarbonylContact C-O 3.53Å; V1674-H1717 WeakPolarHBondContact CA-O 3.17Å; G1675-H1717 VanDerWaalsContact C-CE1 3.49Å; G1675-H1717 WeakPolarHBondContact CA-NE2 3.45Å; G1675-H1717 PolarHBondContact N-O 3.3Å; G1675-H1717 PolarHBondContact O-N 2.97Å; G1675-H1717 PolarHBondContact O-ND1 2.82Å; D1715-H1717 WeakPolarHBondContact CB-NE2 3.35Å; D1715-H1717 PolarHBondContact O-ND1 2.85Å |
| 1718 | L | 87.3 | Confident | 77.4 | Confident | 40.8 Ų | 40.8 | 71.3 Ų | 71.3 | 21% | 0.214 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127 | 170.4 | -172.4 | 66.6 | 0 | 0 | 0 | 107.6 | L1672 M1673 V1674 V1731 L1732 | L1672-L1718 HydrophobicContact CD1-CD1 4.02Å; L1672-L1718 HydrophobicContact CD1-CG 4.31Å; L1672-L1718 HydrophobicContact CD2-CD1 4.03Å; L1672-L1718 HydrophobicContact CG-CD1 3.96Å; M1673-L1718 WeakPolarHBondContact O-CA 3.27Å; V1674-L1718 HydrophobicContact CB-CD1 4.4Å; V1674-L1718 HydrophobicContact CG2-CD1 3.71Å; L1718-V1731 HydrophobicContact CB-CB 4.26Å; L1718-V1731 HydrophobicContact CD2-CB 4.05Å; L1718-V1731 HydrophobicContact CD2-CG1 3.7Å; L1718-V1731 HydrophobicContact CG-CB 3.97Å; L1718-V1731 HydrophobicContact CG-CG1 4.19Å; L1718-V1731 HydrophobicContact CG-CG2 4.47Å; L1718-V1731 WeakPolarHBondContact O-CB 3.17Å; L1718-V1731 PolarHBondContact O-N 3.28Å; L1718-L1732 HydrophobicContact CB-CB 4.01Å; L1718-L1732 HydrophobicContact CD2-CB 4.35Å; L1718-L1732 PolarHBondContact N-O 3.22Å; L1718-L1732 PolarHBondContact O-N 3.13Å |
| 1719 | S | 83.9 | Confident | 76.7 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.3 | 178.3 | 64 | 0 | 0 | 0 | 0 | 112.5 | M1673 R1729 | M1673-S1719 WeakPolarHBondContact CE-OG 3.44Å; M1673-S1719 PolarHBondContact N-O 3.01Å; M1673-S1719 PolarHBondContact O-N 3.15Å; S1719-R1729 CarbonylContact C-O 3.55Å; S1719-R1729 VanDerWaalsContact CA-O 3.24Å; S1719-R1729 WeakPolarHBondContact CA-O 3.25Å; S1719-R1729 WeakPolarHBondContact CB-O 3.22Å |
| 1720 | D | 80.1 | Confident | 76.2 | Confident | 5.6 Ų | 5.6 | 71.5 Ų | 71.5 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.4 | 178.6 | -169.8 | 35.2 | 0 | 0 | 0 | 109.6 | E1671 L1672 E1722 F1728 R1729 V1731 V1780 R1783 | E1671-D1720 CarbonylContact O-C 3.56Å; L1672-D1720 HydrophobicContact CD1-CB 4.42Å; D1720-E1722 PolarHBondContact O-N 2.77Å; D1720-F1728 CarbonylContact O-C 3.46Å; D1720-F1728 WeakPolarHBondContact O-CA 3.28Å; D1720-R1729 PolarHBondContact N-O 3.24Å; D1720-R1729 PolarHBondContact O-N 3.13Å; D1720-V1731 HydrophobicContact CB-CG2 3.9Å; D1720-V1780 HydrophobicContact CB-CG1 3.94Å; D1720-V1780 HydrophobicContact CB-CG2 4.38Å; D1720-V1780 WeakPolarHBondContact OD2-CG2 3.48Å; D1720-R1783 IonicContact OD2-CZ 3.29Å; D1720-R1783 IonicContact OD2-NE 3.22Å; D1720-R1783 IonicContact OD2-NH1 3.23Å; D1720-R1783 PolarHBondContact OD2-NH1 2.89Å; D1720-R1783 IonicContact OD2-NH2 3.12Å; D1720-R1783 PolarHBondContact OD2-NH2 3.05Å |
| 1721 | A | 66.8 | Low | 75.8 | Confident | 16.2 Ų | 16.2 | 70.2 Ų | 70.2 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E1671 F1728 | E1671-A1721 HydrophobicContact CB-CB 4.36Å; E1671-A1721 WeakPolarHBondContact O-CB 3.36Å; E1671-A1721 PolarHBondContact O-N 3.11Å; A1721-F1728 HydrophobicContact CB-CD1 4.17Å; A1721-F1728 HydrophobicContact CB-CE1 3.9Å |
| 1722 | E | 58.7 | Low | 75.6 | Confident | 87.6 Ų | 87.6 | 71.8 Ų | 71.8 | 41% | 0.409 | 36% | 0.361 | S | S | . | . | trans | -70.1 | 161.9 | 170 | -98.9 | 178.1 | -177 | 0 | 0 | 109.9 | D1720 N1724 N1727 R1729 | D1720-E1722 PolarHBondContact O-N 2.77Å; E1722-N1724 CarbonylContact O-C 3.54Å; E1722-N1724 PolarHBondContact O-N 3.04Å; E1722-N1724 VanDerWaalsContact O-O 3.07Å; E1722-N1727 PolarHBondContact N-O 3.13Å; E1722-N1727 VanDerWaalsContact N-O 3.1Å; E1722-R1729 HydrophobicContact CG-CB 4.25Å; E1722-R1729 VanDerWaalsContact OE1-CD 3.29Å; E1722-R1729 WeakPolarHBondContact OE1-CD 3.37Å; E1722-R1729 IonicContact OE1-CZ 3.51Å; E1722-R1729 IonicContact OE1-NE 3.2Å; E1722-R1729 IonicContact OE1-NH1 3.42Å; E1722-R1729 PolarHBondContact OE1-NH1 3.22Å | ||
| 1723 | T | 52.4 | Low | 75.6 | Confident | 125.2 Ų | 125.2 | 68.5 Ų | 68.5 | 77% | 0.768 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -59.4 | -7.5 | -169.1 | 50 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1724 | N | 47.5 | Very low | 75.6 | Confident | 120.8 Ų | 120.8 | 67.3 Ų | 67.3 | 65% | 0.646 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -107.1 | 116.8 | 166.2 | -64.2 | -40.9 | 0 | 0 | 0 | 108.9 | E1722 T1726 N1727 | E1722-N1724 CarbonylContact O-C 3.54Å; E1722-N1724 PolarHBondContact O-N 3.04Å; E1722-N1724 VanDerWaalsContact O-O 3.07Å; N1724-T1726 PolarHBondContact O-N 3.11Å; N1724-N1727 PolarHBondContact O-N 2.97Å |
| 1725 | L | 53.4 | Low | 75.6 | Confident | 168 Ų | 168 | 65.9 Ų | 65.9 | 88% | 0.88 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 12.4 | -169.1 | -71.7 | 161.6 | 0 | 0 | 0 | 117.7 | ||
| 1726 | T | 51.9 | Low | 75.7 | Confident | 113.6 Ų | 113.6 | 65.7 Ų | 65.7 | 70% | 0.697 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -21.6 | -175.3 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | N1724 | N1724-T1726 PolarHBondContact O-N 3.11Š|
| 1727 | N | 58 | Low | 75.7 | Confident | 104.6 Ų | 104.6 | 66.8 Ų | 66.8 | 56% | 0.559 | 35% | 0.348 | S | S | * | . | trans | -119.2 | 120.5 | -173.1 | -68.3 | 4.2 | 0 | 0 | 0 | 111.3 | E1722 N1724 | E1722-N1727 PolarHBondContact N-O 3.13Å; E1722-N1727 VanDerWaalsContact N-O 3.1Å; N1724-N1727 PolarHBondContact O-N 2.97Å | ||
| 1728 | F | 66.3 | Low | 75.8 | Confident | 107.2 Ų | 107.2 | 69.9 Ų | 69.9 | 47% | 0.47 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132 | 172.2 | -71.4 | -81.5 | 0 | 0 | 0 | 110.5 | M1673 D1720 A1721 | M1673-F1728 HydrophobicContact CB-CD1 4.38Å; M1673-F1728 HydrophobicContact CB-CE1 4.15Å; M1673-F1728 HydrophobicContact CE-CD1 3.64Å; M1673-F1728 HydrophobicContact CE-CD2 4.01Å; M1673-F1728 HydrophobicContact CE-CE1 3.41Å; M1673-F1728 VanDerWaalsContact CE-CE1 3.41Å; M1673-F1728 HydrophobicContact CE-CE2 3.81Å; M1673-F1728 HydrophobicContact CE-CG 3.93Å; M1673-F1728 HydrophobicContact CE-CZ 3.51Å; D1720-F1728 CarbonylContact O-C 3.46Å; D1720-F1728 WeakPolarHBondContact O-CA 3.28Å; A1721-F1728 HydrophobicContact CB-CD1 4.17Å; A1721-F1728 HydrophobicContact CB-CE1 3.9Å |
| 1729 | R | 76.3 | Confident | 76.1 | Confident | 105.2 Ų | 105.2 | 68.7 Ų | 68.7 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.6 | 176.1 | -177.9 | 170.1 | -179.3 | 172.3 | -1.7 | 109.9 | S1719 D1720 E1722 V1731 L1772 | S1719-R1729 CarbonylContact C-O 3.55Å; S1719-R1729 VanDerWaalsContact CA-O 3.24Å; S1719-R1729 WeakPolarHBondContact CA-O 3.25Å; S1719-R1729 WeakPolarHBondContact CB-O 3.22Å; D1720-R1729 PolarHBondContact N-O 3.24Å; D1720-R1729 PolarHBondContact O-N 3.13Å; E1722-R1729 HydrophobicContact CG-CB 4.25Å; E1722-R1729 VanDerWaalsContact OE1-CD 3.29Å; E1722-R1729 WeakPolarHBondContact OE1-CD 3.37Å; E1722-R1729 IonicContact OE1-CZ 3.51Å; E1722-R1729 IonicContact OE1-NE 3.2Å; E1722-R1729 IonicContact OE1-NH1 3.42Å; E1722-R1729 PolarHBondContact OE1-NH1 3.22Å; R1729-V1731 PolarHBondContact O-N 2.89Å; R1729-L1772 HydrophobicContact CG-CD2 4.28Å; R1729-L1772 VanDerWaalsContact NE-CD2 3.28Å |
| 1730 | T | 82 | Confident | 76.6 | Confident | 60.6 Ų | 60.6 | 70.9 Ų | 70.9 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 123.8 | 177.5 | -47.3 | 0 | 0 | 0 | 0 | 110.7 | Q1733 P1771 L1772 | T1730-Q1733 HydrophobicContact CG2-CB 4.24Å; T1730-P1771 HydrophobicContact CG2-CG 4.44Å; T1730-P1771 WeakPolarHBondContact O-CG 3.47Å; T1730-L1772 WeakPolarHBondContact O-CG 3.3Å |
| 1731 | V | 84.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -43.3 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | L1718 D1720 R1729 L1772 L1777 V1780 | L1718-V1731 HydrophobicContact CB-CB 4.26Å; L1718-V1731 HydrophobicContact CD2-CB 4.05Å; L1718-V1731 HydrophobicContact CD2-CG1 3.7Å; L1718-V1731 HydrophobicContact CG-CB 3.97Å; L1718-V1731 HydrophobicContact CG-CG1 4.19Å; L1718-V1731 HydrophobicContact CG-CG2 4.47Å; L1718-V1731 WeakPolarHBondContact O-CB 3.17Å; L1718-V1731 PolarHBondContact O-N 3.28Å; D1720-V1731 HydrophobicContact CB-CG2 3.9Å; R1729-V1731 PolarHBondContact O-N 2.89Å; V1731-L1772 HydrophobicContact CB-CD1 4.13Å; V1731-L1772 HydrophobicContact CG1-CD1 4.19Å; V1731-L1772 HydrophobicContact CG2-CD1 3.95Å; V1731-L1777 HydrophobicContact CG1-CD2 3.6Å; V1731-L1777 VanDerWaalsContact CG1-CD2 3.45Å; V1731-L1777 HydrophobicContact CG1-CG 4.13Å; V1731-V1780 HydrophobicContact CG2-CG1 4.17Å |
| 1732 | L | 88.5 | Confident | 78.3 | Confident | 42.6 Ų | 42.6 | 72.6 Ų | 72.6 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 140.4 | 179.1 | 174.2 | 155.2 | 0 | 0 | 0 | 108.7 | L1716 L1718 M1734 L1768 D1769 I1770 | L1716-L1732 HydrophobicContact CD2-CD2 3.65Å; L1718-L1732 HydrophobicContact CB-CB 4.01Å; L1718-L1732 HydrophobicContact CD2-CB 4.35Å; L1718-L1732 PolarHBondContact N-O 3.22Å; L1718-L1732 PolarHBondContact O-N 3.13Å; L1732-M1734 HydrophobicContact CD2-CB 4.23Å; L1732-L1768 HydrophobicContact CD1-CD1 4.02Å; L1732-L1768 HydrophobicContact CD1-CD2 4.26Å; L1732-L1768 HydrophobicContact CD1-CG 4.44Å; L1732-L1768 HydrophobicContact CD2-CD1 3.92Å; L1732-L1768 HydrophobicContact CG-CD1 3.66Å; L1732-L1768 HydrophobicContact CG-CD2 4.43Å; L1732-L1768 HydrophobicContact CG-CG 4.45Å; L1732-D1769 WeakPolarHBondContact CA-O 3.32Å; L1732-I1770 HydrophobicContact CD1-CD1 4.27Å; L1732-I1770 HydrophobicContact CD1-CG1 4.18Å; L1732-I1770 HydrophobicContact CG-CG1 4.32Å |
| 1733 | Q | 91.2 | Very high | 79.8 | Confident | 89.8 Ų | 89.8 | 72.4 Ų | 72.4 | 42% | 0.42 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.3 | 169.6 | -178.1 | 173.1 | -3.3 | 0 | 0 | 109.1 | L1716 T1730 L1768 D1769 | L1716-Q1733 CarbonylContact O-C 3.5Å; L1716-Q1733 WeakPolarHBondContact O-CA 3.29Å; T1730-Q1733 HydrophobicContact CG2-CB 4.24Å; Q1733-L1768 CarbonylContact O-C 3.54Å; Q1733-L1768 WeakPolarHBondContact O-CA 3.38Å; Q1733-D1769 PolarHBondContact N-O 2.97Å; Q1733-D1769 PolarHBondContact O-N 3.1Å |
| 1734 | M | 93.2 | Very high | 81.5 | Confident | 51.8 Ų | 51.8 | 68.4 Ų | 68.4 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 124.3 | 176 | 175.9 | -178.8 | 136 | 0 | 0 | 109.1 | D1715 L1716 L1732 V1736 V1766 S1767 L1768 | D1715-M1734 CarbonylContact C-O 3.56Å; D1715-M1734 WeakPolarHBondContact CA-O 3.19Å; L1716-M1734 HydrophobicContact CB-CB 4.12Å; L1716-M1734 HydrophobicContact CB-CE 4.02Å; L1716-M1734 HydrophobicContact CD1-CB 4.28Å; L1716-M1734 HydrophobicContact CD1-CE 3.95Å; L1716-M1734 HydrophobicContact CD1-CG 3.97Å; L1716-M1734 HydrophobicContact CD1-SD 3.85Å; L1716-M1734 VanDerWaalsContact CD1-SD 3.58Å; L1716-M1734 HydrophobicContact CD2-CB 4.45Å; L1716-M1734 HydrophobicContact CG-CE 4.5Å; L1716-M1734 PolarHBondContact N-O 3.26Å; L1716-M1734 PolarHBondContact O-N 2.97Å; L1732-M1734 HydrophobicContact CD2-CB 4.23Å; M1734-V1736 HydrophobicContact CE-CG2 3.69Å; M1734-V1736 VanDerWaalsContact CE-CG2 3.42Å; M1734-V1736 HydrophobicContact CG-CG2 4.35Å; M1734-V1736 HydrophobicContact SD-CG2 4.38Å; M1734-V1766 HydrophobicContact CE-CG1 4.08Å; M1734-V1766 HydrophobicContact CG-CG1 4.17Å; M1734-V1766 HydrophobicContact SD-CG1 4.25Å; M1734-S1767 CarbonylContact C-O 3.54Å; M1734-S1767 VanDerWaalsContact CA-O 3.27Å; M1734-S1767 WeakPolarHBondContact CA-O 3.25Å; M1734-L1768 HydrophobicContact CB-CB 4.3Å; M1734-L1768 HydrophobicContact CB-CD1 4.04Å; M1734-L1768 HydrophobicContact CB-CG 4.15Å; M1734-L1768 HydrophobicContact CG-CB 4.16Å; M1734-L1768 HydrophobicContact CG-CD1 4.24Å; M1734-L1768 HydrophobicContact CG-CG 4.37Å; M1734-L1768 HydrophobicContact SD-CD1 4.01Å |
| 1735 | A | 93.8 | Very high | 83.1 | Confident | 6.6 Ų | 6.6 | 63.6 Ų | 63.6 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1714 D1715 V1766 S1767 | I1714-A1735 CarbonylContact O-C 3.48Å; I1714-A1735 VanDerWaalsContact O-CA 3.29Å; I1714-A1735 WeakPolarHBondContact O-CA 3.34Å; D1715-A1735 VanDerWaalsContact OD1-CB 3.28Å; D1715-A1735 WeakPolarHBondContact OD1-CB 3.36Å; A1735-V1766 WeakPolarHBondContact O-CA 3.34Å; A1735-S1767 PolarHBondContact N-O 3.19Å; A1735-S1767 PolarHBondContact O-N 2.94Å; A1735-S1767 PolarHBondContact O-OG 2.82Å; A1735-S1767 VanDerWaalsContact O-OG 3.07Å |
| 1736 | V | 93.4 | Very high | 84 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.5 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | R1713 I1714 M1734 S1739 V1763 P1765 V1766 | R1713-V1736 CarbonylContact C-O 3.49Å; R1713-V1736 VanDerWaalsContact CA-O 3.31Å; R1713-V1736 WeakPolarHBondContact CA-O 3.45Å; I1714-V1736 HydrophobicContact CB-CB 4.33Å; I1714-V1736 PolarHBondContact N-O 3.23Å; I1714-V1736 PolarHBondContact O-N 2.92Å; M1734-V1736 HydrophobicContact CE-CG2 3.69Å; M1734-V1736 VanDerWaalsContact CE-CG2 3.42Å; M1734-V1736 HydrophobicContact CG-CG2 4.35Å; M1734-V1736 HydrophobicContact SD-CG2 4.38Å; V1736-S1739 VanDerWaalsContact CG1-OG 3.28Å; V1736-S1739 WeakPolarHBondContact CG1-OG 3.28Å; V1736-V1763 HydrophobicContact CG1-CG1 3.68Å; V1736-P1765 WeakPolarHBondContact CA-O 3.39Å; V1736-V1766 HydrophobicContact CG1-CG2 4.16Å; V1736-V1766 HydrophobicContact CG2-CG1 4.27Å; V1736-V1766 HydrophobicContact CG2-CG2 4.18Å |
| 1737 | E | 92.4 | Very high | 84.6 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 159.1 | 179.9 | -58.5 | -165.7 | 152.9 | 0 | 0 | 112 | R1712 R1713 S1739 G1764 P1765 | R1712-E1737 CarbonylContact O-C 3.55Å; R1712-E1737 WeakPolarHBondContact O-CA 3.43Å; R1713-E1737 HydrophobicContact CG-CG 4.42Å; R1713-E1737 IonicContact CZ-OE1 2.84Å; R1713-E1737 IonicContact NH1-OE1 2.81Å; R1713-E1737 PolarHBondContact NH1-OE1 3.09Å; E1737-S1739 PolarHBondContact O-N 3.17Å; E1737-S1739 VanDerWaalsContact O-N 3.12Å; E1737-S1739 PolarHBondContact O-OG 3.06Å; E1737-S1739 VanDerWaalsContact O-OG 3.09Å; E1737-G1764 CarbonylContact O-C 3.58Å; E1737-G1764 WeakPolarHBondContact O-CA 3.36Å; E1737-G1764 PolarHBondContact O-N 3.21Å; E1737-P1765 PolarHBondContact N-O 2.96Å |
| 1738 | Q | 91.4 | Very high | 84.6 | Confident | 120.4 Ų | 120.4 | 53.5 Ų | 53.5 | 56% | 0.563 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 43 | 53.6 | 166.6 | -59.5 | -178.9 | -2.7 | 0 | 0 | 115.1 | R1712 | R1712-Q1738 PolarHBondContact O-N 3.05Å |
| 1739 | S | 93.3 | Very high | 84 | Confident | 15.6 Ų | 15.6 | 54.2 Ų | 54.2 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.5 | -178.8 | -66 | 0 | 0 | 0 | 0 | 111.8 | S1710 V1711 V1736 E1737 R1762 G1764 | S1710-S1739 CarbonylContact C-O 3.55Å; S1710-S1739 WeakPolarHBondContact CA-O 3.41Å; V1711-S1739 PolarHBondContact N-O 3.16Å; V1711-S1739 PolarHBondContact O-N 3.05Å; V1736-S1739 VanDerWaalsContact CG1-OG 3.28Å; V1736-S1739 WeakPolarHBondContact CG1-OG 3.28Å; E1737-S1739 PolarHBondContact O-N 3.17Å; E1737-S1739 VanDerWaalsContact O-N 3.12Å; E1737-S1739 PolarHBondContact O-OG 3.06Å; E1737-S1739 VanDerWaalsContact O-OG 3.09Å; S1739-R1762 CarbonylContact C-O 3.53Å; S1739-R1762 VanDerWaalsContact CA-O 3.28Å; S1739-R1762 WeakPolarHBondContact CA-O 3.36Å; S1739-G1764 PolarHBondContact OG-N 2.85Å; S1739-G1764 VanDerWaalsContact OG-N 3.13Å |
| 1740 | V | 93.4 | Very high | 82.8 | Confident | 54.2 Ų | 54.2 | 54.2 Ų | 54.2 | 33% | 0.328 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.4 | -179.3 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | E1708 F1709 V1761 R1762 | E1708-V1740 HydrophobicContact CG-CG1 4.46Å; F1709-V1740 CarbonylContact O-C 3.53Å; F1709-V1740 VanDerWaalsContact O-CA 3.31Å; F1709-V1740 WeakPolarHBondContact O-CA 3.36Å; F1709-V1740 WeakPolarHBondContact O-CG1 3.33Å; V1740-V1761 CarbonylContact O-C 3.55Å; V1740-R1762 PolarHBondContact N-O 3.21Å; V1740-R1762 PolarHBondContact O-N 2.95Å |
| 1741 | G | 92 | Very high | 81.3 | Confident | 0.8 Ų | 0.8 | 61.3 Ų | 61.3 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1708 F1709 G1760 | E1708-G1741 CarbonylContact C-O 3.57Å; E1708-G1741 WeakPolarHBondContact CA-O 3.28Å; F1709-G1741 WeakPolarHBondContact CD1-O 3.39Å; F1709-G1741 VanDerWaalsContact CZ-CA 3.45Å; F1709-G1741 PolarHBondContact N-O 3.23Å; F1709-G1741 PolarHBondContact O-N 2.93Å; G1741-G1760 CarbonylContact C-O 3.54Å; G1741-G1760 VanDerWaalsContact CA-O 3.27Å; G1741-G1760 WeakPolarHBondContact CA-O 3.29Å |
| 1742 | S | 91.6 | Very high | 79.7 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.4 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | L1707 V1759 G1760 | L1707-S1742 CarbonylContact O-C 3.52Å; L1707-S1742 VanDerWaalsContact O-CA 3.3Å; L1707-S1742 WeakPolarHBondContact O-CA 3.36Å; S1742-V1759 CarbonylContact O-C 3.54Å; S1742-V1759 VanDerWaalsContact O-CA 3.3Å; S1742-V1759 WeakPolarHBondContact O-CA 3.32Å; S1742-G1760 PolarHBondContact N-O 3.19Å; S1742-G1760 PolarHBondContact O-N 3.27Å; S1742-G1760 WeakPolarHBondContact OG-CA 3.25Å; S1742-G1760 PolarHBondContact OG-N 3.21Å; S1742-G1760 PolarHBondContact OG-O 3.22Å |
| 1743 | F | 90.2 | Very high | 77.7 | Confident | 83.8 Ų | 83.8 | 76 Ų | 76 | 37% | 0.368 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.7 | 169.8 | 170.8 | -95.3 | 0 | 0 | 0 | 107.9 | A1706 L1707 C1758 V1759 | A1706-F1743 CarbonylContact C-O 3.54Å; A1706-F1743 WeakPolarHBondContact CA-O 3.37Å; L1707-F1743 HydrophobicContact CB-CB 4.45Å; L1707-F1743 PolarHBondContact N-O 2.95Å; L1707-F1743 PolarHBondContact O-N 3.19Å; F1743-C1758 CarbonylContact C-O 3.51Å; F1743-C1758 WeakPolarHBondContact CA-O 3.19Å; F1743-V1759 HydrophobicContact CB-CG2 4.49Å; F1743-V1759 HydrophobicContact CD2-CG2 3.77Å; F1743-V1759 HydrophobicContact CE2-CG2 4.39Å |
| 1744 | S | 87 | Confident | 76.1 | Confident | 41.6 Ų | 41.6 | 77.1 Ų | 77.1 | 29% | 0.291 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.4 | 170.1 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | N1705 N1757 C1758 | N1705-S1744 CarbonylContact O-C 3.54Å; N1705-S1744 VanDerWaalsContact O-CA 3.25Å; N1705-S1744 WeakPolarHBondContact O-CA 3.39Å; S1744-N1757 CarbonylContact O-C 3.55Å; S1744-N1757 WeakPolarHBondContact O-CA 3.42Å; S1744-C1758 PolarHBondContact N-O 3.1Å; S1744-C1758 PolarHBondContact O-N 3.17Å |
| 1745 | S | 82.2 | Confident | 74.6 | Confident | 21 Ų | 21 | 78.1 Ų | 78.1 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 117.4 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 107.7 | D1704 N1705 K1756 N1757 | D1704-S1745 WeakPolarHBondContact CA-O 3.37Å; N1705-S1745 PolarHBondContact N-O 2.95Å; N1705-S1745 PolarHBondContact O-N 2.99Å; S1745-K1756 WeakPolarHBondContact CA-O 3.44Å; S1745-N1757 WeakPolarHBondContact CB-OD1 3.43Å; S1745-N1757 PolarHBondContact OG-OD1 2.98Å |
| 1746 | M | 72.5 | Confident | 73.7 | Confident | 101.4 Ų | 101.4 | 83.7 Ų | 83.7 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.9 | 175.7 | -64.7 | -164.3 | -46.5 | 0 | 0 | 111.7 | D1704 T1755 K1756 | D1704-M1746 VanDerWaalsContact OD1-CA 3.29Å; D1704-M1746 WeakPolarHBondContact OD1-CA 3.41Å; D1704-M1746 WeakPolarHBondContact OD1-CB 3.39Å; D1704-M1746 WeakPolarHBondContact OD2-CE 3.38Å; M1746-T1755 WeakPolarHBondContact O-CA 3.38Å; M1746-K1756 HydrophobicContact CB-CB 4.47Å; M1746-K1756 PolarHBondContact N-O 3.06Å; M1746-K1756 VanDerWaalsContact N-O 3.16Å; M1746-K1756 PolarHBondContact O-N 2.98Å; M1746-K1756 VanDerWaalsContact O-N 3.12Å |
| 1747 | A | 64.3 | Low | 73.2 | Confident | 17.4 Ų | 17.4 | 84.2 Ų | 84.2 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | trans | -96.4 | 104 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1701 D1704 P1749 | N1701-A1747 WeakPolarHBondContact O-CB 3.49Å; D1704-A1747 PolarHBondContact OD1-N 3.14Å; A1747-P1749 WeakPolarHBondContact O-CD 3.45Å | ||
| 1748 | T | 58.2 | Low | 73 | Confident | 55.4 Ų | 55.4 | 82.9 Ų | 82.9 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | trans | -76.3 | 125.3 | 176.3 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | N1750 R1753 | T1748-N1750 PolarHBondContact O-N 3.07Å; T1748-R1753 PolarHBondContact OG1-O 3.1Å; T1748-R1753 VanDerWaalsContact OG1-O 3.12Å | ||
| 1749 | P | 52.7 | Low | 73 | Confident | 121.6 Ų | 121.6 | 79.2 Ų | 79.2 | 79% | 0.79 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -72.9 | 6.7 | -172.2 | 29.1 | -36.7 | 0 | 0 | 0 | 115.5 | A1747 | A1747-P1749 WeakPolarHBondContact O-CD 3.45Š|
| 1750 | N | 50.7 | Low | 73 | Confident | 105.6 Ų | 105.6 | 79.3 Ų | 79.3 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -108.2 | 124.1 | 170.4 | -78.3 | 24.1 | 0 | 0 | 0 | 108.8 | T1748 E1752 R1753 | T1748-N1750 PolarHBondContact O-N 3.07Å; N1750-E1752 HydrophobicContact CB-CB 4.45Å; N1750-E1752 PolarHBondContact ND2-OE2 2.84Å; N1750-E1752 PolarHBondContact O-N 3.08Å; N1750-R1753 PolarHBondContact O-N 2.99Å; N1750-R1753 VanDerWaalsContact O-N 3.15Å |
| 1751 | E | 51.2 | Low | 73 | Confident | 207.8 Ų | 207.8 | 78.8 Ų | 78.8 | 97% | 0.971 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15.9 | -179.8 | -60 | -176.5 | 142 | 0 | 0 | 114.3 | R1753 | E1751-R1753 VanDerWaalsContact C-N 3.29Å; E1751-R1753 PolarHBondContact O-N 2.97Å |
| 1752 | E | 49.3 | Very low | 73.1 | Confident | 172.2 Ų | 172.2 | 86.4 Ų | 86.4 | 81% | 0.805 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.9 | -180 | -59.7 | -177.6 | 147 | 0 | 0 | 114.9 | N1750 | N1750-E1752 HydrophobicContact CB-CB 4.45Å; N1750-E1752 PolarHBondContact ND2-OE2 2.84Å; N1750-E1752 PolarHBondContact O-N 3.08Å |
| 1753 | R | 48.5 | Very low | 73.2 | Confident | 186.2 Ų | 186.2 | 85.4 Ų | 85.4 | 70% | 0.703 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -126.3 | 126.8 | -178.7 | -71 | -176.8 | 179.1 | 167.6 | 1.8 | 111.9 | T1748 N1750 E1751 | T1748-R1753 PolarHBondContact OG1-O 3.1Å; T1748-R1753 VanDerWaalsContact OG1-O 3.12Å; N1750-R1753 PolarHBondContact O-N 2.99Å; N1750-R1753 VanDerWaalsContact O-N 3.15Å; E1751-R1753 VanDerWaalsContact C-N 3.29Å; E1751-R1753 PolarHBondContact O-N 2.97Å |
| 1754 | P | 56.4 | Low | 73.3 | Confident | 113.8 Ų | 113.8 | 81.6 Ų | 81.6 | 74% | 0.739 | 43% | 0.427 | S | S | * | . | trans | -69.1 | 150.6 | 177 | 29.3 | -34.5 | 0 | 0 | 0 | 111.3 | K1756 | P1754-K1756 PolarHBondContact O-N 3.05Š| ||
| 1755 | T | 63 | Low | 73.7 | Confident | 73.4 Ų | 73.4 | 81.3 Ų | 81.3 | 45% | 0.45 | 42% | 0.424 | S | S | . | . | trans | -53.6 | 132.4 | 177.9 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | M1746 N1757 | M1746-T1755 WeakPolarHBondContact O-CA 3.38Å; T1755-N1757 PolarHBondContact O-N 3.18Å; T1755-N1757 PolarHBondContact O-ND2 2.74Å | ||
| 1756 | K | 73.2 | Confident | 74.3 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 101.1 | 178.1 | -79.2 | -169.5 | 174.2 | -172.6 | 0 | 109.9 | S1745 M1746 P1754 | S1745-K1756 WeakPolarHBondContact CA-O 3.44Å; M1746-K1756 HydrophobicContact CB-CB 4.47Å; M1746-K1756 PolarHBondContact N-O 3.06Å; M1746-K1756 VanDerWaalsContact N-O 3.16Å; M1746-K1756 PolarHBondContact O-N 2.98Å; M1746-K1756 VanDerWaalsContact O-N 3.12Å; P1754-K1756 PolarHBondContact O-N 3.05Å |
| 1757 | N | 84.2 | Confident | 75.3 | Confident | 23.6 Ų | 23.6 | 79.1 Ų | 79.1 | 13% | 0.126 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127 | 171.3 | -54.6 | -56.5 | 0 | 0 | 0 | 109.6 | S1744 S1745 T1755 V1828 V1829 H1830 | S1744-N1757 CarbonylContact O-C 3.55Å; S1744-N1757 WeakPolarHBondContact O-CA 3.42Å; S1745-N1757 WeakPolarHBondContact CB-OD1 3.43Å; S1745-N1757 PolarHBondContact OG-OD1 2.98Å; T1755-N1757 PolarHBondContact O-N 3.18Å; T1755-N1757 PolarHBondContact O-ND2 2.74Å; N1757-V1828 PolarHBondContact ND2-O 2.93Å; N1757-V1828 VanDerWaalsContact ND2-O 3.12Å; N1757-V1829 HydrophobicContact CB-CB 4.34Å; N1757-V1829 HydrophobicContact CB-CG1 4.32Å; N1757-V1829 HydrophobicContact CB-CG2 3.99Å; N1757-V1829 WeakPolarHBondContact O-CA 3.45Å; N1757-H1830 PolarHBondContact O-N 2.85Å; N1757-H1830 PolarHBondContact O-ND1 3.08Å |
| 1758 | C | 88.4 | Confident | 76.7 | Confident | 45.4 Ų | 45.4 | 79.8 Ų | 79.8 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.9 | 179.5 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | F1743 S1744 H1830 | F1743-C1758 CarbonylContact C-O 3.51Å; F1743-C1758 WeakPolarHBondContact CA-O 3.19Å; S1744-C1758 PolarHBondContact N-O 3.1Å; S1744-C1758 PolarHBondContact O-N 3.17Å; C1758-H1830 CarbonylContact C-O 3.49Å; C1758-H1830 VanDerWaalsContact CA-O 3.27Å; C1758-H1830 WeakPolarHBondContact CA-O 3.43Å |
| 1759 | V | 91 | Very high | 78.3 | Confident | 42.8 Ų | 42.8 | 79.8 Ų | 79.8 | 26% | 0.259 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 116.7 | 178.3 | 169 | 0 | 0 | 0 | 0 | 109.7 | S1742 F1743 V1761 V1829 H1830 F1831 D1832 | S1742-V1759 CarbonylContact O-C 3.54Å; S1742-V1759 VanDerWaalsContact O-CA 3.3Å; S1742-V1759 WeakPolarHBondContact O-CA 3.32Å; F1743-V1759 HydrophobicContact CB-CG2 4.49Å; F1743-V1759 HydrophobicContact CD2-CG2 3.77Å; F1743-V1759 HydrophobicContact CE2-CG2 4.39Å; V1759-V1761 HydrophobicContact CG1-CG2 3.84Å; V1759-V1829 HydrophobicContact CB-CG1 4.09Å; V1759-V1829 HydrophobicContact CG2-CG1 3.61Å; V1759-H1830 PolarHBondContact N-O 3.07Å; V1759-F1831 HydrophobicContact CB-CB 4.49Å; V1759-F1831 CarbonylContact O-C 3.55Å; V1759-F1831 VanDerWaalsContact O-CA 3.25Å; V1759-F1831 WeakPolarHBondContact O-CA 3.3Å; V1759-D1832 PolarHBondContact O-N 3.1Å |
| 1760 | G | 92.2 | Very high | 80.1 | Confident | 18.4 Ų | 18.4 | 75.8 Ų | 75.8 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | G1741 S1742 D1832 | G1741-G1760 CarbonylContact C-O 3.54Å; G1741-G1760 VanDerWaalsContact CA-O 3.27Å; G1741-G1760 WeakPolarHBondContact CA-O 3.29Å; S1742-G1760 PolarHBondContact N-O 3.19Å; S1742-G1760 PolarHBondContact O-N 3.27Å; S1742-G1760 WeakPolarHBondContact OG-CA 3.25Å; S1742-G1760 PolarHBondContact OG-N 3.21Å; S1742-G1760 PolarHBondContact OG-O 3.22Å; G1760-D1832 CarbonylContact C-O 3.57Å; G1760-D1832 VanDerWaalsContact CA-O 3.31Å; G1760-D1832 WeakPolarHBondContact CA-O 3.32Å |
| 1761 | V | 93.8 | Very high | 81.7 | Confident | 42.8 Ų | 42.8 | 73.8 Ų | 73.8 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 114.5 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | V1740 V1759 V1763 D1832 I1833 V1834 | V1740-V1761 CarbonylContact O-C 3.55Å; V1759-V1761 HydrophobicContact CG1-CG2 3.84Å; V1761-V1763 HydrophobicContact CG1-CG2 3.96Å; V1761-D1832 PolarHBondContact N-O 3.12Å; V1761-I1833 HydrophobicContact CB-CG1 4.38Å; V1761-I1833 CarbonylContact O-C 3.53Å; V1761-I1833 VanDerWaalsContact O-CA 3.27Å; V1761-I1833 WeakPolarHBondContact O-CA 3.42Å; V1761-V1834 PolarHBondContact O-N 3.18Å |
| 1762 | R | 94.7 | Very high | 83.1 | Confident | 162 Ų | 162 | 64.4 Ų | 64.4 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 103.3 | 170.5 | -161 | 177.5 | -83.1 | 147.8 | 1.7 | 109.2 | S1739 V1740 V1834 | S1739-R1762 CarbonylContact C-O 3.53Å; S1739-R1762 VanDerWaalsContact CA-O 3.28Å; S1739-R1762 WeakPolarHBondContact CA-O 3.36Å; V1740-R1762 PolarHBondContact N-O 3.21Å; V1740-R1762 PolarHBondContact O-N 2.95Å; R1762-V1834 CarbonylContact C-O 3.53Å; R1762-V1834 WeakPolarHBondContact CA-O 3.3Å; R1762-V1834 HydrophobicContact CG-CB 4.45Å |
| 1763 | V | 93.6 | Very high | 84.6 | Confident | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.8 | 171.1 | -170.4 | 0 | 0 | 0 | 0 | 108 | V1736 V1761 V1766 V1834 V1835 K1836 | V1736-V1763 HydrophobicContact CG1-CG1 3.68Å; V1761-V1763 HydrophobicContact CG1-CG2 3.96Å; V1763-V1766 HydrophobicContact CG1-CG2 3.69Å; V1763-V1834 PolarHBondContact N-O 3.03Å; V1763-V1835 HydrophobicContact CB-CB 4.47Å; V1763-V1835 HydrophobicContact CB-CG1 4.26Å; V1763-V1835 HydrophobicContact CB-CG2 4.2Å; V1763-V1835 HydrophobicContact CG1-CG1 4.45Å; V1763-V1835 HydrophobicContact CG2-CG2 4.31Å; V1763-V1835 WeakPolarHBondContact O-CA 3.28Å; V1763-K1836 PolarHBondContact O-N 3.01Å |
| 1764 | G | 93.2 | Very high | 85.9 | Confident | 2.4 Ų | 2.4 | 52 Ų | 52 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -156.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1737 S1739 V1766 | E1737-G1764 CarbonylContact O-C 3.58Å; E1737-G1764 WeakPolarHBondContact O-CA 3.36Å; E1737-G1764 PolarHBondContact O-N 3.21Å; S1739-G1764 PolarHBondContact OG-N 2.85Å; S1739-G1764 VanDerWaalsContact OG-N 3.13Å; G1764-V1766 PolarHBondContact O-N 3.21Å |
| 1765 | P | 95.1 | Very high | 86.6 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 23% | 0.234 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 124.8 | -179.7 | -22 | 34.4 | 0 | 0 | 0 | 111.6 | V1736 E1737 K1836 S1837 | V1736-P1765 WeakPolarHBondContact CA-O 3.39Å; E1737-P1765 PolarHBondContact N-O 2.96Å; P1765-K1836 HydrophobicContact CG-CD 4.19Å; P1765-S1837 WeakPolarHBondContact CA-OG 3.43Å; P1765-S1837 WeakPolarHBondContact CB-OG 3.01Å |
| 1766 | V | 95 | Very high | 87.2 | Confident | 17.4 Ų | 17.4 | 45.5 Ų | 45.5 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.1 | 171.8 | -178 | 0 | 0 | 0 | 0 | 108.7 | M1734 A1735 V1736 V1763 G1764 V1835 S1837 I1838 N1839 | M1734-V1766 HydrophobicContact CE-CG1 4.08Å; M1734-V1766 HydrophobicContact CG-CG1 4.17Å; M1734-V1766 HydrophobicContact SD-CG1 4.25Å; A1735-V1766 WeakPolarHBondContact O-CA 3.34Å; V1736-V1766 HydrophobicContact CG1-CG2 4.16Å; V1736-V1766 HydrophobicContact CG2-CG1 4.27Å; V1736-V1766 HydrophobicContact CG2-CG2 4.18Å; V1763-V1766 HydrophobicContact CG1-CG2 3.69Å; G1764-V1766 PolarHBondContact O-N 3.21Å; V1766-V1835 HydrophobicContact CG2-CG1 4.4Å; V1766-S1837 PolarHBondContact N-O 3.04Å; V1766-I1838 HydrophobicContact CB-CB 4.47Å; V1766-I1838 HydrophobicContact CB-CG1 4.25Å; V1766-I1838 HydrophobicContact CB-CG2 4.43Å; V1766-I1838 HydrophobicContact CG1-CG2 4.36Å; V1766-I1838 HydrophobicContact CG2-CG1 4.39Å; V1766-I1838 CarbonylContact O-C 3.59Å; V1766-I1838 WeakPolarHBondContact O-CA 3.4Å; V1766-N1839 PolarHBondContact O-N 3.19Å |
| 1767 | S | 93.4 | Very high | 87.3 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.9 | 169.5 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | M1734 A1735 N1839 | M1734-S1767 CarbonylContact C-O 3.54Å; M1734-S1767 VanDerWaalsContact CA-O 3.27Å; M1734-S1767 WeakPolarHBondContact CA-O 3.25Å; A1735-S1767 PolarHBondContact N-O 3.19Å; A1735-S1767 PolarHBondContact O-N 2.94Å; A1735-S1767 PolarHBondContact O-OG 2.82Å; A1735-S1767 VanDerWaalsContact O-OG 3.07Å; S1767-N1839 CarbonylContact C-O 3.56Å; S1767-N1839 WeakPolarHBondContact CA-O 3.27Å |
| 1768 | L | 93.9 | Very high | 86.8 | Confident | 33.6 Ų | 33.6 | 42.5 Ų | 42.5 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.7 | 179.8 | 177.9 | 96.3 | 0 | 0 | 0 | 108.8 | L1732 Q1733 M1734 I1770 N1839 V1840 S1841 | L1732-L1768 HydrophobicContact CD1-CD1 4.02Å; L1732-L1768 HydrophobicContact CD1-CD2 4.26Å; L1732-L1768 HydrophobicContact CD1-CG 4.44Å; L1732-L1768 HydrophobicContact CD2-CD1 3.92Å; L1732-L1768 HydrophobicContact CG-CD1 3.66Å; L1732-L1768 HydrophobicContact CG-CD2 4.43Å; L1732-L1768 HydrophobicContact CG-CG 4.45Å; Q1733-L1768 CarbonylContact O-C 3.54Å; Q1733-L1768 WeakPolarHBondContact O-CA 3.38Å; M1734-L1768 HydrophobicContact CB-CB 4.3Å; M1734-L1768 HydrophobicContact CB-CD1 4.04Å; M1734-L1768 HydrophobicContact CB-CG 4.15Å; M1734-L1768 HydrophobicContact CG-CB 4.16Å; M1734-L1768 HydrophobicContact CG-CD1 4.24Å; M1734-L1768 HydrophobicContact CG-CG 4.37Å; M1734-L1768 HydrophobicContact SD-CD1 4.01Å; L1768-I1770 HydrophobicContact CD1-CG1 4.31Å; L1768-I1770 HydrophobicContact CD2-CD1 3.96Å; L1768-I1770 HydrophobicContact CD2-CG1 3.61Å; L1768-I1770 HydrophobicContact CG-CG1 4.39Å; L1768-N1839 PolarHBondContact N-O 3.1Å; L1768-V1840 HydrophobicContact CB-CG1 4.45Å; L1768-V1840 HydrophobicContact CB-CG2 4.26Å; L1768-V1840 HydrophobicContact CD2-CB 4.47Å; L1768-V1840 HydrophobicContact CD2-CG1 3.91Å; L1768-V1840 HydrophobicContact CD2-CG2 4.04Å; L1768-V1840 HydrophobicContact CG-CG1 4.21Å; L1768-V1840 CarbonylContact O-C 3.46Å; L1768-S1841 PolarHBondContact O-N 2.96Å; L1768-S1841 PolarHBondContact O-OG 3.01Å |
| 1769 | D | 91.6 | Very high | 86 | Confident | 54.4 Ų | 54.4 | 41.8 Ų | 41.8 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.4 | 173 | -161.9 | -0.6 | 0 | 0 | 0 | 110.7 | L1732 Q1733 P1771 S1841 K1849 | L1732-D1769 WeakPolarHBondContact CA-O 3.32Å; Q1733-D1769 PolarHBondContact N-O 2.97Å; Q1733-D1769 PolarHBondContact O-N 3.1Å; D1769-P1771 VanDerWaalsContact O-CD 3.3Å; D1769-P1771 WeakPolarHBondContact O-CD 3.35Å; D1769-S1841 CarbonylContact C-O 3.53Å; D1769-S1841 VanDerWaalsContact CA-O 3.3Å; D1769-S1841 WeakPolarHBondContact CA-O 3.3Å; D1769-S1841 PolarHBondContact OD1-OG 2.74Å; D1769-K1849 IonicContact OD1-NZ 3.27Å; D1769-K1849 PolarHBondContact OD1-NZ 2.92Å; D1769-K1849 IonicContact OD2-NZ 3.04Å; D1769-K1849 PolarHBondContact OD2-NZ 3.13Å |
| 1770 | I | 90.2 | Very high | 85.2 | Confident | 38.8 Ų | 38.8 | 40.2 Ų | 40.2 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 89.6 | 172.9 | -53.4 | 179.5 | 0 | 0 | 0 | 107 | L1732 L1768 L1772 L1777 S1841 A1842 A1843 | L1732-I1770 HydrophobicContact CD1-CD1 4.27Å; L1732-I1770 HydrophobicContact CD1-CG1 4.18Å; L1732-I1770 HydrophobicContact CG-CG1 4.32Å; L1768-I1770 HydrophobicContact CD1-CG1 4.31Å; L1768-I1770 HydrophobicContact CD2-CD1 3.96Å; L1768-I1770 HydrophobicContact CD2-CG1 3.61Å; L1768-I1770 HydrophobicContact CG-CG1 4.39Å; I1770-L1772 VanDerWaalsContact C-N 3.25Å; I1770-L1772 PolarHBondContact O-N 3.1Å; I1770-L1777 HydrophobicContact CG2-CD1 3.91Å; I1770-S1841 PolarHBondContact N-O 2.99Å; I1770-A1842 HydrophobicContact CB-CB 3.99Å; I1770-A1842 HydrophobicContact CD1-CB 4.4Å; I1770-A1842 HydrophobicContact CG1-CB 4.36Å; I1770-A1842 WeakPolarHBondContact O-CA 3.43Å; I1770-A1843 PolarHBondContact O-N 3.17Å |
| 1771 | P | 84.3 | Confident | 84.2 | Confident | 63.8 Ų | 63.8 | 43 Ų | 43 | 41% | 0.414 | 25% | 0.246 | S | C | . | . | trans | -74.2 | -9.8 | -175.7 | 30.2 | -37.1 | 0 | 0 | 0 | 113.7 | T1730 D1769 | T1730-P1771 HydrophobicContact CG2-CG 4.44Å; T1730-P1771 WeakPolarHBondContact O-CG 3.47Å; D1769-P1771 VanDerWaalsContact O-CD 3.3Å; D1769-P1771 WeakPolarHBondContact O-CD 3.35Å | ||
| 1772 | L | 81.1 | Confident | 83 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -98.9 | 128.7 | 179.8 | -57.5 | -173.1 | 0 | 0 | 0 | 111.4 | R1729 T1730 V1731 I1770 T1776 L1777 V1780 | R1729-L1772 HydrophobicContact CG-CD2 4.28Å; R1729-L1772 VanDerWaalsContact NE-CD2 3.28Å; T1730-L1772 WeakPolarHBondContact O-CG 3.3Å; V1731-L1772 HydrophobicContact CB-CD1 4.13Å; V1731-L1772 HydrophobicContact CG1-CD1 4.19Å; V1731-L1772 HydrophobicContact CG2-CD1 3.95Å; I1770-L1772 VanDerWaalsContact C-N 3.25Å; I1770-L1772 PolarHBondContact O-N 3.1Å; L1772-T1776 HydrophobicContact CB-CG2 4.34Å; L1772-T1776 HydrophobicContact CD1-CG2 4.24Å; L1772-T1776 HydrophobicContact CD2-CG2 4.25Å; L1772-T1776 HydrophobicContact CG-CG2 4.44Å; L1772-L1777 HydrophobicContact CB-CD1 4.4Å; L1772-L1777 HydrophobicContact CB-CD2 3.75Å; L1772-L1777 HydrophobicContact CB-CG 3.92Å; L1772-L1777 HydrophobicContact CD1-CD2 4.01Å; L1772-L1777 HydrophobicContact CG-CD2 4.42Å; L1772-L1777 VanDerWaalsContact O-CD1 3.27Å; L1772-L1777 WeakPolarHBondContact O-CD1 3.38Å; L1772-L1777 WeakPolarHBondContact O-CG 3.4Å; L1772-V1780 HydrophobicContact CD1-CG2 4.36Å |
| 1773 | H | 79.8 | Confident | 81.8 | Confident | 38.6 Ų | 38.6 | 39.4 Ų | 39.4 | 18% | 0.179 | 23% | 0.23 | C | C | . | . | trans | -70.7 | 156.9 | 171.4 | 70.9 | 40.5 | 0 | 0 | 0 | 111.9 | G1775 T1776 L1777 A1843 | H1773-G1775 VanDerWaalsContact C-N 3.26Å; H1773-G1775 PolarHBondContact CD2-N 2.85Å; H1773-G1775 VanDerWaalsContact CD2-N 3.33Å; H1773-G1775 PolarHBondContact ND1-N 2.64Å; H1773-G1775 PolarHBondContact O-N 3.16Å; H1773-G1775 VanDerWaalsContact O-N 3.08Å; H1773-T1776 PolarHBondContact CD2-OG1 2.89Å; H1773-T1776 PolarHBondContact CE1-N 3.12Å; H1773-T1776 VanDerWaalsContact CE1-N 3.26Å; H1773-T1776 PolarHBondContact CE1-OG1 2.98Å; H1773-T1776 PolarHBondContact ND1-N 3.08Å; H1773-T1776 PolarHBondContact ND1-OG1 3Å; H1773-T1776 PolarHBondContact NE2-N 2.71Å; H1773-T1776 PolarHBondContact NE2-OG1 3.23Å; H1773-T1776 PolarHBondContact O-N 3.05Å; H1773-L1777 PolarHBondContact O-N 2.95Å; H1773-L1777 VanDerWaalsContact O-N 3.09Å; H1773-A1843 VanDerWaalsContact CA-O 3.31Å; H1773-A1843 WeakPolarHBondContact CA-O 3.32Å; H1773-A1843 HydrophobicContact CB-CB 4.36Å | ||
| 1774 | P | 76.4 | Confident | 80.4 | Confident | 59.2 Ų | 59.2 | 38.2 Ų | 38.2 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53.2 | -35.4 | -174.2 | -29.1 | 36.9 | 0 | 0 | 0 | 114.7 | T1776 L1777 H1778 L1844 I1967 | P1774-T1776 PolarHBondContact O-N 3.17Å; P1774-T1776 VanDerWaalsContact O-N 3.16Å; P1774-L1777 PolarHBondContact O-N 3.24Å; P1774-H1778 VanDerWaalsContact O-CB 3.29Å; P1774-H1778 WeakPolarHBondContact O-CB 3.36Å; P1774-H1778 PolarHBondContact O-N 2.95Å; P1774-L1844 WeakPolarHBondContact CD-O 3.39Å; P1774-I1967 HydrophobicContact CB-CG2 4.4Å |
| 1775 | G | 71.5 | Confident | 79.1 | Confident | 15.6 Ų | 15.6 | 39.7 Ų | 39.7 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -33.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1773 | H1773-G1775 VanDerWaalsContact C-N 3.26Å; H1773-G1775 PolarHBondContact CD2-N 2.85Å; H1773-G1775 VanDerWaalsContact CD2-N 3.33Å; H1773-G1775 PolarHBondContact ND1-N 2.64Å; H1773-G1775 PolarHBondContact O-N 3.16Å; H1773-G1775 VanDerWaalsContact O-N 3.08Å |
| 1776 | T | 75 | Confident | 77.5 | Confident | 36.4 Ų | 36.4 | 45.4 Ų | 45.4 | 22% | 0.223 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -80.7 | -41.7 | 172.4 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | L1772 H1773 P1774 H1778 G1779 V1780 | L1772-T1776 HydrophobicContact CB-CG2 4.34Å; L1772-T1776 HydrophobicContact CD1-CG2 4.24Å; L1772-T1776 HydrophobicContact CD2-CG2 4.25Å; L1772-T1776 HydrophobicContact CG-CG2 4.44Å; H1773-T1776 PolarHBondContact CD2-OG1 2.89Å; H1773-T1776 PolarHBondContact CE1-N 3.12Å; H1773-T1776 VanDerWaalsContact CE1-N 3.26Å; H1773-T1776 PolarHBondContact CE1-OG1 2.98Å; H1773-T1776 PolarHBondContact ND1-N 3.08Å; H1773-T1776 PolarHBondContact ND1-OG1 3Å; H1773-T1776 PolarHBondContact NE2-N 2.71Å; H1773-T1776 PolarHBondContact NE2-OG1 3.23Å; H1773-T1776 PolarHBondContact O-N 3.05Å; P1774-T1776 PolarHBondContact O-N 3.17Å; P1774-T1776 VanDerWaalsContact O-N 3.16Å; T1776-H1778 VanDerWaalsContact C-N 3.27Å; T1776-H1778 PolarHBondContact O-N 2.89Å; T1776-G1779 PolarHBondContact O-N 2.99Å; T1776-G1779 VanDerWaalsContact O-N 3.09Å; T1776-V1780 WeakPolarHBondContact O-CG2 3.41Å; T1776-V1780 PolarHBondContact O-N 2.99Å; T1776-V1780 VanDerWaalsContact O-N 3.15Å |
| 1777 | L | 75.8 | Confident | 75.8 | Confident | 43.8 Ų | 43.8 | 46.3 Ų | 46.3 | 23% | 0.229 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.9 | -40.3 | 176.4 | -89 | 170.5 | 0 | 0 | 0 | 111.9 | V1731 I1770 L1772 H1773 P1774 G1779 V1780 V1781 | V1731-L1777 HydrophobicContact CG1-CD2 3.6Å; V1731-L1777 VanDerWaalsContact CG1-CD2 3.45Å; V1731-L1777 HydrophobicContact CG1-CG 4.13Å; I1770-L1777 HydrophobicContact CG2-CD1 3.91Å; L1772-L1777 HydrophobicContact CB-CD1 4.4Å; L1772-L1777 HydrophobicContact CB-CD2 3.75Å; L1772-L1777 HydrophobicContact CB-CG 3.92Å; L1772-L1777 HydrophobicContact CD1-CD2 4.01Å; L1772-L1777 HydrophobicContact CG-CD2 4.42Å; L1772-L1777 VanDerWaalsContact O-CD1 3.27Å; L1772-L1777 WeakPolarHBondContact O-CD1 3.38Å; L1772-L1777 WeakPolarHBondContact O-CG 3.4Å; H1773-L1777 PolarHBondContact O-N 2.95Å; H1773-L1777 VanDerWaalsContact O-N 3.09Å; P1774-L1777 PolarHBondContact O-N 3.24Å; L1777-G1779 VanDerWaalsContact C-N 3.31Å; L1777-G1779 PolarHBondContact O-N 3.01Å; L1777-V1780 WeakPolarHBondContact O-CB 3.37Å; L1777-V1780 PolarHBondContact O-N 3.13Å; L1777-V1780 VanDerWaalsContact O-N 3.13Å; L1777-V1781 HydrophobicContact CD2-CG2 3.97Å; L1777-V1781 WeakPolarHBondContact O-CB 3.34Å; L1777-V1781 VanDerWaalsContact O-CG2 3.29Å; L1777-V1781 WeakPolarHBondContact O-CG2 3.36Å; L1777-V1781 PolarHBondContact O-N 3.17Å |
| 1778 | H | 73.3 | Confident | 74.4 | Confident | 40.2 Ų | 40.2 | 46.2 Ų | 46.2 | 19% | 0.186 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 174.6 | -176.1 | -109.5 | 0 | 0 | 0 | 112.4 | P1774 T1776 V1780 V1781 L1782 K1970 I1971 E1974 | P1774-H1778 VanDerWaalsContact O-CB 3.29Å; P1774-H1778 WeakPolarHBondContact O-CB 3.36Å; P1774-H1778 PolarHBondContact O-N 2.95Å; T1776-H1778 VanDerWaalsContact C-N 3.27Å; T1776-H1778 PolarHBondContact O-N 2.89Å; H1778-V1780 PolarHBondContact O-N 2.88Å; H1778-V1781 PolarHBondContact O-N 3.12Å; H1778-L1782 WeakPolarHBondContact CE1-CD1 3.4Å; H1778-L1782 WeakPolarHBondContact O-CB 3.3Å; H1778-L1782 WeakPolarHBondContact O-CG 3.32Å; H1778-L1782 PolarHBondContact O-N 3.1Å; H1778-K1970 PolarHBondContact CE1-O 3.09Å; H1778-I1971 HydrophobicContact CB-CG1 4.31Å; H1778-E1974 IonicContact CE1-OE2 2.79Å; H1778-E1974 IonicContact ND1-OE2 3.2Å |
| 1779 | G | 70.6 | Confident | 73 | Confident | 29.8 Ų | 29.8 | 48.2 Ų | 48.2 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1776 L1777 L1782 R1783 | T1776-G1779 PolarHBondContact O-N 2.99Å; T1776-G1779 VanDerWaalsContact O-N 3.09Å; L1777-G1779 VanDerWaalsContact C-N 3.31Å; L1777-G1779 PolarHBondContact O-N 3.01Å; G1779-L1782 PolarHBondContact O-N 2.94Å; G1779-R1783 WeakPolarHBondContact O-CG 3.37Å; G1779-R1783 PolarHBondContact O-N 3.01Å; G1779-R1783 VanDerWaalsContact O-N 3.11Å; G1779-R1783 PolarHBondContact O-NE 2.79Å |
| 1780 | V | 73.7 | Confident | 71.5 | Confident | 9.2 Ų | 9.2 | 52.3 Ų | 52.3 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.6 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | L1672 D1720 V1731 L1772 T1776 L1777 H1778 L1782 R1783 G1784 | L1672-V1780 HydrophobicContact CD1-CG1 4.14Å; D1720-V1780 HydrophobicContact CB-CG1 3.94Å; D1720-V1780 HydrophobicContact CB-CG2 4.38Å; D1720-V1780 WeakPolarHBondContact OD2-CG2 3.48Å; V1731-V1780 HydrophobicContact CG2-CG1 4.17Å; L1772-V1780 HydrophobicContact CD1-CG2 4.36Å; T1776-V1780 WeakPolarHBondContact O-CG2 3.41Å; T1776-V1780 PolarHBondContact O-N 2.99Å; T1776-V1780 VanDerWaalsContact O-N 3.15Å; L1777-V1780 WeakPolarHBondContact O-CB 3.37Å; L1777-V1780 PolarHBondContact O-N 3.13Å; L1777-V1780 VanDerWaalsContact O-N 3.13Å; H1778-V1780 PolarHBondContact O-N 2.88Å; V1780-L1782 PolarHBondContact O-N 2.94Å; V1780-R1783 PolarHBondContact O-N 2.86Å; V1780-G1784 PolarHBondContact O-N 3.06Å; V1780-G1784 VanDerWaalsContact O-N 3.07Å |
| 1781 | V | 72.5 | Confident | 70.2 | Confident | 78.6 Ų | 78.6 | 55.1 Ų | 55.1 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 179.5 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | L1777 H1778 R1783 G1784 T1785 | L1777-V1781 HydrophobicContact CD2-CG2 3.97Å; L1777-V1781 WeakPolarHBondContact O-CB 3.34Å; L1777-V1781 VanDerWaalsContact O-CG2 3.29Å; L1777-V1781 WeakPolarHBondContact O-CG2 3.36Å; L1777-V1781 PolarHBondContact O-N 3.17Å; H1778-V1781 PolarHBondContact O-N 3.12Å; V1781-R1783 PolarHBondContact O-N 2.86Å; V1781-G1784 PolarHBondContact O-N 3.01Å; V1781-T1785 HydrophobicContact CG1-CG2 3.87Å; V1781-T1785 WeakPolarHBondContact O-CA 3.25Å; V1781-T1785 VanDerWaalsContact O-CB 3.26Å; V1781-T1785 WeakPolarHBondContact O-CB 3.4Å; V1781-T1785 VanDerWaalsContact O-CG2 3.23Å; V1781-T1785 WeakPolarHBondContact O-CG2 3.24Å; V1781-T1785 PolarHBondContact O-N 3.04Å; V1781-T1785 PolarHBondContact O-OG1 2.89Å |
| 1782 | L | 68.9 | Low | 69.1 | Low | 23.2 Ų | 23.2 | 55.5 Ų | 55.5 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 176.9 | -77.5 | -175.3 | 0 | 0 | 0 | 113.2 | H1778 G1779 V1780 T1785 R1786 E1974 V1976 | H1778-L1782 WeakPolarHBondContact CE1-CD1 3.4Å; H1778-L1782 WeakPolarHBondContact O-CB 3.3Å; H1778-L1782 WeakPolarHBondContact O-CG 3.32Å; H1778-L1782 PolarHBondContact O-N 3.1Å; G1779-L1782 PolarHBondContact O-N 2.94Å; V1780-L1782 PolarHBondContact O-N 2.94Å; L1782-T1785 VanDerWaalsContact CA-OG1 3.3Å; L1782-T1785 WeakPolarHBondContact CA-OG1 3.49Å; L1782-T1785 PolarHBondContact O-OG1 3.06Å; L1782-T1785 VanDerWaalsContact O-OG1 3.09Å; L1782-R1786 WeakPolarHBondContact O-CG 3.14Å; L1782-R1786 PolarHBondContact O-N 2.81Å; L1782-E1974 HydrophobicContact CD1-CB 4.06Å; L1782-E1974 HydrophobicContact CD1-CG 4.45Å; L1782-E1974 VanDerWaalsContact CD1-OE2 3.32Å; L1782-E1974 WeakPolarHBondContact CD1-OE2 3.45Å; L1782-V1976 HydrophobicContact CD2-CB 4.34Å; L1782-V1976 HydrophobicContact CD2-CG2 3.5Å; L1782-V1976 VanDerWaalsContact CD2-CG2 3.49Å |
| 1783 | R | 67.9 | Low | 68 | Low | 104.6 Ų | 104.6 | 58.3 Ų | 58.3 | 40% | 0.395 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -51.6 | 172.6 | -72.2 | -167.4 | -68 | -143.7 | 3.6 | 111.3 | E1671 D1720 G1779 V1780 V1781 T1785 R1786 T1787 | E1671-R1783 WeakPolarHBondContact OE2-CD 3.22Å; E1671-R1783 IonicContact OE2-NE 3.32Å; E1671-R1783 IonicContact OE2-NH1 3.16Å; D1720-R1783 IonicContact OD2-CZ 3.29Å; D1720-R1783 IonicContact OD2-NE 3.22Å; D1720-R1783 IonicContact OD2-NH1 3.23Å; D1720-R1783 PolarHBondContact OD2-NH1 2.89Å; D1720-R1783 IonicContact OD2-NH2 3.12Å; D1720-R1783 PolarHBondContact OD2-NH2 3.05Å; G1779-R1783 WeakPolarHBondContact O-CG 3.37Å; G1779-R1783 PolarHBondContact O-N 3.01Å; G1779-R1783 VanDerWaalsContact O-N 3.11Å; G1779-R1783 PolarHBondContact O-NE 2.79Å; V1780-R1783 PolarHBondContact O-N 2.86Å; V1781-R1783 PolarHBondContact O-N 2.86Å; R1783-T1785 PolarHBondContact O-N 3.01Å; R1783-R1786 PolarHBondContact O-N 2.67Å; R1783-T1787 PolarHBondContact O-N 3.11Å; R1783-T1787 PolarHBondContact O-OG1 3.32Å |
| 1784 | G | 65 | Low | 66.8 | Low | 10.4 Ų | 10.4 | 60.3 Ų | 60.3 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1780 V1781 R1786 T1787 I1788 | V1780-G1784 PolarHBondContact O-N 3.06Å; V1780-G1784 VanDerWaalsContact O-N 3.07Å; V1781-G1784 PolarHBondContact O-N 3.01Å; G1784-R1786 PolarHBondContact O-N 3.05Å; G1784-T1787 PolarHBondContact O-N 3.2Å; G1784-T1787 PolarHBondContact O-OG1 2.85Å; G1784-T1787 VanDerWaalsContact O-OG1 3.13Å; G1784-I1788 WeakPolarHBondContact O-CA 3.49Å; G1784-I1788 VanDerWaalsContact O-CB 3.26Å; G1784-I1788 WeakPolarHBondContact O-CB 3.37Å; G1784-I1788 WeakPolarHBondContact O-CD1 3.44Å; G1784-I1788 VanDerWaalsContact O-CG1 3.25Å; G1784-I1788 WeakPolarHBondContact O-CG1 3.34Å; G1784-I1788 PolarHBondContact O-N 3.01Å |
| 1785 | T | 65 | Low | 65.8 | Low | 32.2 Ų | 32.2 | 59.3 Ų | 59.3 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.4 | -33.2 | -175.3 | 48 | 0 | 0 | 0 | 0 | 113.9 | V1781 L1782 R1783 S1789 F1978 | V1781-T1785 HydrophobicContact CG1-CG2 3.87Å; V1781-T1785 WeakPolarHBondContact O-CA 3.25Å; V1781-T1785 VanDerWaalsContact O-CB 3.26Å; V1781-T1785 WeakPolarHBondContact O-CB 3.4Å; V1781-T1785 VanDerWaalsContact O-CG2 3.23Å; V1781-T1785 WeakPolarHBondContact O-CG2 3.24Å; V1781-T1785 PolarHBondContact O-N 3.04Å; V1781-T1785 PolarHBondContact O-OG1 2.89Å; L1782-T1785 VanDerWaalsContact CA-OG1 3.3Å; L1782-T1785 WeakPolarHBondContact CA-OG1 3.49Å; L1782-T1785 PolarHBondContact O-OG1 3.06Å; L1782-T1785 VanDerWaalsContact O-OG1 3.09Å; R1783-T1785 PolarHBondContact O-N 3.01Å; T1785-S1789 WeakPolarHBondContact O-CA 3.42Å; T1785-S1789 WeakPolarHBondContact O-CB 3.4Å; T1785-S1789 PolarHBondContact O-N 2.93Å; T1785-F1978 HydrophobicContact CG2-CE1 4.45Å; T1785-F1978 HydrophobicContact CG2-CE2 4.05Å; T1785-F1978 HydrophobicContact CG2-CZ 3.85Å |
| 1786 | R | 62.5 | Low | 64.9 | Low | 156.4 Ų | 156.4 | 64 Ų | 64 | 59% | 0.59 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64 | -53.5 | 173.4 | -68.6 | -175.9 | -173 | 179.6 | 5.8 | 110.7 | L1782 R1783 G1784 I1788 S1789 E1790 E1974 | L1782-R1786 WeakPolarHBondContact O-CG 3.14Å; L1782-R1786 PolarHBondContact O-N 2.81Å; R1783-R1786 PolarHBondContact O-N 2.67Å; G1784-R1786 PolarHBondContact O-N 3.05Å; R1786-I1788 VanDerWaalsContact C-N 3.32Å; R1786-I1788 PolarHBondContact O-N 2.85Å; R1786-S1789 PolarHBondContact O-N 2.98Å; R1786-S1789 VanDerWaalsContact O-N 3.11Å; R1786-E1790 WeakPolarHBondContact O-CB 3.38Å; R1786-E1790 VanDerWaalsContact O-CG 3.31Å; R1786-E1790 WeakPolarHBondContact O-CG 3.32Å; R1786-E1790 PolarHBondContact O-N 2.92Å; R1786-E1790 VanDerWaalsContact O-N 3.12Å; R1786-E1974 IonicContact NH2-OE1 3.85Å; R1786-E1974 PolarHBondContact NH2-OE1 3.31Å; R1786-E1974 IonicContact NH2-OE2 2.65Å; R1786-E1974 PolarHBondContact NH2-OE2 2.83Å |
| 1787 | T | 60.1 | Low | 63.7 | Low | 37.4 Ų | 37.4 | 65 Ų | 65 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -32.2 | -177.2 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | T1670 R1783 G1784 R1791 | T1670-T1787 HydrophobicContact CG2-CG2 4.41Å; T1670-T1787 WeakPolarHBondContact OG1-CB 3.23Å; T1670-T1787 PolarHBondContact OG1-OG1 2.96Å; T1670-T1787 VanDerWaalsContact OG1-OG1 3.12Å; R1783-T1787 PolarHBondContact O-N 3.11Å; R1783-T1787 PolarHBondContact O-OG1 3.32Å; G1784-T1787 PolarHBondContact O-N 3.2Å; G1784-T1787 PolarHBondContact O-OG1 2.85Å; G1784-T1787 VanDerWaalsContact O-OG1 3.13Å; T1787-R1791 WeakPolarHBondContact O-CB 3.31Å; T1787-R1791 WeakPolarHBondContact O-CG 3.39Å; T1787-R1791 PolarHBondContact O-N 3Å |
| 1788 | I | 63.5 | Low | 62.3 | Low | 55.8 Ų | 55.8 | 67 Ų | 67 | 29% | 0.286 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.3 | -47.7 | 170.9 | -68.7 | 167.7 | 0 | 0 | 0 | 109.9 | F1669 G1784 R1786 E1790 R1791 M1792 | F1669-I1788 HydrophobicContact CB-CD1 4.21Å; F1669-I1788 HydrophobicContact CB-CG1 4.35Å; G1784-I1788 WeakPolarHBondContact O-CA 3.49Å; G1784-I1788 VanDerWaalsContact O-CB 3.26Å; G1784-I1788 WeakPolarHBondContact O-CB 3.37Å; G1784-I1788 WeakPolarHBondContact O-CD1 3.44Å; G1784-I1788 VanDerWaalsContact O-CG1 3.25Å; G1784-I1788 WeakPolarHBondContact O-CG1 3.34Å; G1784-I1788 PolarHBondContact O-N 3.01Å; R1786-I1788 VanDerWaalsContact C-N 3.32Å; R1786-I1788 PolarHBondContact O-N 2.85Å; I1788-E1790 VanDerWaalsContact C-N 3.27Å; I1788-E1790 PolarHBondContact O-N 3Å; I1788-R1791 CarbonylContact O-C 3.55Å; I1788-R1791 PolarHBondContact O-N 2.87Å; I1788-M1792 HydrophobicContact CG2-CB 4.29Å; I1788-M1792 HydrophobicContact CG2-CE 4.36Å; I1788-M1792 HydrophobicContact CG2-CG 4.12Å; I1788-M1792 HydrophobicContact CG2-SD 4.05Å; I1788-M1792 WeakPolarHBondContact O-CA 3.18Å; I1788-M1792 VanDerWaalsContact O-CB 3.27Å; I1788-M1792 WeakPolarHBondContact O-CB 3.39Å; I1788-M1792 VanDerWaalsContact O-CG 3.24Å; I1788-M1792 WeakPolarHBondContact O-CG 3.49Å; I1788-M1792 PolarHBondContact O-N 3.01Å |
| 1789 | S | 63.3 | Low | 60.8 | Low | 74.4 Ų | 74.4 | 69 Ų | 69 | 52% | 0.52 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -29.3 | -177.8 | -170.3 | 0 | 0 | 0 | 0 | 113.5 | T1785 R1786 P1793 | T1785-S1789 WeakPolarHBondContact O-CA 3.42Å; T1785-S1789 WeakPolarHBondContact O-CB 3.4Å; T1785-S1789 PolarHBondContact O-N 2.93Å; R1786-S1789 PolarHBondContact O-N 2.98Å; R1786-S1789 VanDerWaalsContact O-N 3.11Å; S1789-P1793 VanDerWaalsContact O-CD 3.25Å; S1789-P1793 WeakPolarHBondContact O-CD 3.33Å |
| 1790 | E | 61.6 | Low | 59.5 | Low | 141 Ų | 141 | 72.9 Ų | 72.9 | 66% | 0.659 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -72.8 | -31.8 | 173.2 | -72.2 | 169.3 | -174.5 | 0 | 0 | 112.7 | R1786 I1788 | R1786-E1790 WeakPolarHBondContact O-CB 3.38Å; R1786-E1790 VanDerWaalsContact O-CG 3.31Å; R1786-E1790 WeakPolarHBondContact O-CG 3.32Å; R1786-E1790 PolarHBondContact O-N 2.92Å; R1786-E1790 VanDerWaalsContact O-N 3.12Å; I1788-E1790 VanDerWaalsContact C-N 3.27Å; I1788-E1790 PolarHBondContact O-N 3Å |
| 1791 | R | 61.5 | Low | 58 | Low | 97.6 Ų | 97.6 | 76.6 Ų | 76.6 | 37% | 0.368 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -100.9 | -23.1 | -174.5 | -65.4 | -178.1 | -175.2 | -142.1 | 2.3 | 114.5 | Y1552 T1787 I1788 P1793 M1794 L1795 | Y1552-R1791 HydrophobicContact CD2-CB 4.45Å; Y1552-R1791 HydrophobicContact CE2-CB 4.11Å; Y1552-R1791 HydrophobicContact CE2-CG 4.31Å; T1787-R1791 WeakPolarHBondContact O-CB 3.31Å; T1787-R1791 WeakPolarHBondContact O-CG 3.39Å; T1787-R1791 PolarHBondContact O-N 3Å; I1788-R1791 CarbonylContact O-C 3.55Å; I1788-R1791 PolarHBondContact O-N 2.87Å; R1791-P1793 VanDerWaalsContact C-CD 3.46Å; R1791-P1793 VanDerWaalsContact C-N 3.35Å; R1791-M1794 HydrophobicContact CB-CE 4.35Å; R1791-M1794 HydrophobicContact CG-CE 4.17Å; R1791-M1794 WeakPolarHBondContact O-CB 3.41Å; R1791-M1794 PolarHBondContact O-N 2.87Å; R1791-M1794 VanDerWaalsContact O-N 3.09Å; R1791-L1795 PolarHBondContact O-N 3.3Å |
| 1792 | M | 61.8 | Low | 56.4 | Low | 72.2 Ų | 72.2 | 80.7 Ų | 80.7 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.4 | -37.2 | -179.5 | -141.6 | 56.9 | 176.4 | 0 | 0 | 113.3 | I1788 M1794 L1795 L1796 | I1788-M1792 HydrophobicContact CG2-CB 4.29Å; I1788-M1792 HydrophobicContact CG2-CE 4.36Å; I1788-M1792 HydrophobicContact CG2-CG 4.12Å; I1788-M1792 HydrophobicContact CG2-SD 4.05Å; I1788-M1792 WeakPolarHBondContact O-CA 3.18Å; I1788-M1792 VanDerWaalsContact O-CB 3.27Å; I1788-M1792 WeakPolarHBondContact O-CB 3.39Å; I1788-M1792 VanDerWaalsContact O-CG 3.24Å; I1788-M1792 WeakPolarHBondContact O-CG 3.49Å; I1788-M1792 PolarHBondContact O-N 3.01Å; M1792-M1794 VanDerWaalsContact C-N 3.29Å; M1792-M1794 PolarHBondContact O-N 2.97Å; M1792-M1794 VanDerWaalsContact O-N 3.12Å; M1792-L1795 CarbonylContact O-C 3.48Å; M1792-L1795 PolarHBondContact O-N 3.01Å; M1792-L1795 HydrophobicContact SD-CB 4.32Å; M1792-L1795 HydrophobicContact SD-CD1 4.26Å; M1792-L1796 HydrophobicContact CB-CD1 4.45Å; M1792-L1796 HydrophobicContact CE-CD1 3.79Å; M1792-L1796 HydrophobicContact CE-CD2 4.35Å; M1792-L1796 HydrophobicContact CE-CG 4.06Å; M1792-L1796 HydrophobicContact CG-CB 4.41Å; M1792-L1796 HydrophobicContact CG-CD1 3.86Å; M1792-L1796 HydrophobicContact CG-CG 4.13Å; M1792-L1796 WeakPolarHBondContact O-CA 3.28Å; M1792-L1796 WeakPolarHBondContact O-CB 3.29Å; M1792-L1796 WeakPolarHBondContact O-CG 3.44Å; M1792-L1796 PolarHBondContact O-N 3.2Å; M1792-L1796 VanDerWaalsContact O-N 3.12Å; M1792-L1796 HydrophobicContact SD-CD1 3.97Å; M1792-L1796 WeakPolarHBondContact SD-CD1 3.35Å; M1792-L1796 HydrophobicContact SD-CG 3.91Å |
| 1793 | P | 57.2 | Low | 54.8 | Low | 68.6 Ų | 68.6 | 87.7 Ų | 87.7 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.7 | -33 | 172.5 | -26.2 | 35.8 | 0 | 0 | 0 | 113.2 | S1789 R1791 L1795 L1796 T1797 | S1789-P1793 VanDerWaalsContact O-CD 3.25Å; S1789-P1793 WeakPolarHBondContact O-CD 3.33Å; R1791-P1793 VanDerWaalsContact C-CD 3.46Å; R1791-P1793 VanDerWaalsContact C-N 3.35Å; P1793-L1795 VanDerWaalsContact C-N 3.27Å; P1793-L1795 PolarHBondContact O-N 2.77Å; P1793-L1796 PolarHBondContact O-N 3.12Å; P1793-T1797 VanDerWaalsContact C-OG1 3.3Å; P1793-T1797 WeakPolarHBondContact CA-OG1 3.27Å; P1793-T1797 VanDerWaalsContact O-CB 3.23Å; P1793-T1797 WeakPolarHBondContact O-CB 3.41Å; P1793-T1797 WeakPolarHBondContact O-CG2 3.46Å; P1793-T1797 PolarHBondContact O-N 2.91Å; P1793-T1797 PolarHBondContact O-OG1 3.25Å; P1793-T1797 VanDerWaalsContact O-OG1 3.06Å |
| 1794 | M | 54.6 | Low | 53.4 | Low | 80.2 Ų | 80.2 | 88 Ų | 88 | 40% | 0.395 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78 | -16.6 | 176.3 | -64.2 | -176.9 | -79.6 | 0 | 0 | 113.6 | A1153 Y1552 V1556 N1559 R1791 M1792 | A1153-M1794 HydrophobicContact CB-CG 3.93Å; A1153-M1794 HydrophobicContact CB-SD 3.79Å; Y1552-M1794 HydrophobicContact CE2-CE 4.19Å; Y1552-M1794 WeakPolarHBondContact OH-CB 3.36Å; Y1552-M1794 WeakPolarHBondContact OH-CE 3.37Å; Y1552-M1794 PolarHBondContact OH-SD 3.39Å; V1556-M1794 HydrophobicContact CG2-CE 4.46Å; N1559-M1794 PolarHBondContact ND2-O 2.87Å; R1791-M1794 HydrophobicContact CB-CE 4.35Å; R1791-M1794 HydrophobicContact CG-CE 4.17Å; R1791-M1794 WeakPolarHBondContact O-CB 3.41Å; R1791-M1794 PolarHBondContact O-N 2.87Å; R1791-M1794 VanDerWaalsContact O-N 3.09Å; M1792-M1794 VanDerWaalsContact C-N 3.29Å; M1792-M1794 PolarHBondContact O-N 2.97Å; M1792-M1794 VanDerWaalsContact O-N 3.12Å |
| 1795 | L | 55.5 | Low | 52.1 | Low | 37.2 Ų | 37.2 | 94.1 Ų | 94.1 | 20% | 0.195 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -95.8 | -27.2 | 175.7 | -63.8 | 176.6 | 0 | 0 | 0 | 112.7 | Y1552 L1555 V1556 N1559 F1669 R1791 M1792 P1793 | Y1552-L1795 HydrophobicContact CD2-CD1 4.38Å; Y1552-L1795 HydrophobicContact CD2-CD2 4.3Å; Y1552-L1795 HydrophobicContact CE2-CD2 4.29Å; Y1552-L1795 HydrophobicContact CE2-CG 4.31Å; L1555-L1795 HydrophobicContact CB-CD2 3.7Å; L1555-L1795 HydrophobicContact CD1-CD1 4.24Å; L1555-L1795 HydrophobicContact CD1-CD2 4.13Å; L1555-L1795 HydrophobicContact CG-CD2 4.31Å; V1556-L1795 HydrophobicContact CG2-CD2 4.17Å; N1559-L1795 PolarHBondContact ND2-O 2.8Å; N1559-L1795 VanDerWaalsContact ND2-O 3.08Å; F1669-L1795 HydrophobicContact CD1-CD1 4.44Å; F1669-L1795 HydrophobicContact CE1-CD1 4.06Å; R1791-L1795 PolarHBondContact O-N 3.3Å; M1792-L1795 CarbonylContact O-C 3.48Å; M1792-L1795 PolarHBondContact O-N 3.01Å; M1792-L1795 HydrophobicContact SD-CB 4.32Å; M1792-L1795 HydrophobicContact SD-CD1 4.26Å; P1793-L1795 VanDerWaalsContact C-N 3.27Å; P1793-L1795 PolarHBondContact O-N 2.77Å |
| 1796 | L | 54.1 | Low | 50.6 | Low | 114.2 Ų | 114.2 | 101.6 Ų | 101.6 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -110.9 | 0.3 | -173.2 | -68.1 | -178 | 0 | 0 | 0 | 114.3 | M1792 P1793 P1798 | M1792-L1796 HydrophobicContact CB-CD1 4.45Å; M1792-L1796 HydrophobicContact CE-CD1 3.79Å; M1792-L1796 HydrophobicContact CE-CD2 4.35Å; M1792-L1796 HydrophobicContact CE-CG 4.06Å; M1792-L1796 HydrophobicContact CG-CB 4.41Å; M1792-L1796 HydrophobicContact CG-CD1 3.86Å; M1792-L1796 HydrophobicContact CG-CG 4.13Å; M1792-L1796 WeakPolarHBondContact O-CA 3.28Å; M1792-L1796 WeakPolarHBondContact O-CB 3.29Å; M1792-L1796 WeakPolarHBondContact O-CG 3.44Å; M1792-L1796 PolarHBondContact O-N 3.2Å; M1792-L1796 VanDerWaalsContact O-N 3.12Å; M1792-L1796 HydrophobicContact SD-CD1 3.97Å; M1792-L1796 WeakPolarHBondContact SD-CD1 3.35Å; M1792-L1796 HydrophobicContact SD-CG 3.91Å; P1793-L1796 PolarHBondContact O-N 3.12Å; L1796-P1798 VanDerWaalsContact C-CD 3.45Å; L1796-P1798 WeakPolarHBondContact O-CD 3.47Å |
| 1797 | T | 50 | Low | 49.3 | Very low | 58.2 Ų | 58.2 | 99.7 Ų | 99.7 | 36% | 0.357 | 53% | 0.528 | S | S | . | . | trans | -106.3 | 99.7 | 178.4 | 13.3 | 0 | 0 | 0 | 0 | 112.7 | Y1563 P1793 S1799 I1800 | Y1563-T1797 PolarHBondContact OH-O 3.28Å; Y1563-T1797 VanDerWaalsContact OH-O 3.04Å; P1793-T1797 VanDerWaalsContact C-OG1 3.3Å; P1793-T1797 WeakPolarHBondContact CA-OG1 3.27Å; P1793-T1797 VanDerWaalsContact O-CB 3.23Å; P1793-T1797 WeakPolarHBondContact O-CB 3.41Å; P1793-T1797 WeakPolarHBondContact O-CG2 3.46Å; P1793-T1797 PolarHBondContact O-N 2.91Å; P1793-T1797 PolarHBondContact O-OG1 3.25Å; P1793-T1797 VanDerWaalsContact O-OG1 3.06Å; T1797-S1799 VanDerWaalsContact C-N 3.28Å; T1797-S1799 PolarHBondContact O-N 2.96Å; T1797-I1800 HydrophobicContact CG2-CB 4.36Å; T1797-I1800 HydrophobicContact CG2-CD1 3.99Å; T1797-I1800 HydrophobicContact CG2-CG1 3.93Å | ||
| 1798 | P | 45.9 | Very low | 48.1 | Very low | 85.8 Ų | 85.8 | 108.2 Ų | 108.2 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | trans | -78.5 | 49.4 | 163.4 | 33.1 | -32.7 | 0 | 0 | 0 | 111.5 | Y1563 L1796 I1800 V1801 E1802 | Y1563-P1798 HydrophobicContact CE2-CB 4.33Å; Y1563-P1798 WeakPolarHBondContact OH-CA 3.41Å; L1796-P1798 VanDerWaalsContact C-CD 3.45Å; L1796-P1798 WeakPolarHBondContact O-CD 3.47Å; P1798-I1800 VanDerWaalsContact C-N 3.28Å; P1798-I1800 PolarHBondContact O-N 3.12Å; P1798-V1801 PolarHBondContact O-N 3.23Å; P1798-E1802 PolarHBondContact O-N 2.91Å | ||
| 1799 | S | 42 | Very low | 46.7 | Very low | 81.2 Ų | 81.2 | 111.4 Ų | 111.4 | 57% | 0.568 | 58% | 0.579 | S | S | * | * | trans | -90.3 | 7.5 | -177.2 | 151.4 | 0 | 0 | 0 | 0 | 115.2 | T1797 V1801 E1802 | T1797-S1799 VanDerWaalsContact C-N 3.28Å; T1797-S1799 PolarHBondContact O-N 2.96Å; S1799-V1801 PolarHBondContact O-N 2.71Å; S1799-E1802 PolarHBondContact O-N 2.96Å | ||
| 1800 | I | 42.8 | Very low | 45.1 | Very low | 112 Ų | 112 | 113.5 Ų | 113.5 | 57% | 0.574 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -88.5 | 4.1 | 171.9 | -57.1 | 175.4 | 0 | 0 | 0 | 110.4 | T1797 P1798 E1803 V1804 | T1797-I1800 HydrophobicContact CG2-CB 4.36Å; T1797-I1800 HydrophobicContact CG2-CD1 3.99Å; T1797-I1800 HydrophobicContact CG2-CG1 3.93Å; P1798-I1800 VanDerWaalsContact C-N 3.28Å; P1798-I1800 PolarHBondContact O-N 3.12Å; I1800-E1803 PolarHBondContact O-N 3.09Å; I1800-V1804 HydrophobicContact CG2-CG2 4.47Å; I1800-V1804 WeakPolarHBondContact O-CG2 3.38Å; I1800-V1804 PolarHBondContact O-N 2.94Å |
| 1801 | V | 42 | Very low | 43.7 | Very low | 88.4 Ų | 88.4 | 110.5 Ų | 110.5 | 54% | 0.536 | 59% | 0.593 | S | S | . | * | trans | -99.8 | 18.1 | 175 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | W1156 Y1563 P1798 S1799 E1803 V1804 M1805 | W1156-V1801 HydrophobicContact CZ2-CG2 4.31Å; Y1563-V1801 HydrophobicContact CE1-CG1 4.46Å; P1798-V1801 PolarHBondContact O-N 3.23Å; S1799-V1801 PolarHBondContact O-N 2.71Å; V1801-E1803 VanDerWaalsContact C-N 3.31Å; V1801-E1803 HydrophobicContact CG1-CB 4.16Å; V1801-E1803 PolarHBondContact O-N 2.98Å; V1801-V1804 PolarHBondContact O-N 3.28Å; V1801-M1805 HydrophobicContact CG1-CG 4.06Å; V1801-M1805 WeakPolarHBondContact O-CB 3.4Å; V1801-M1805 WeakPolarHBondContact O-CG 3.38Å; V1801-M1805 PolarHBondContact O-N 2.91Å | ||
| 1802 | E | 38.9 | Very low | 42.3 | Very low | 163 Ų | 163 | 112 Ų | 112 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.9 | -17.8 | 177.6 | -105.3 | -175.3 | 153.8 | 0 | 0 | 113.2 | P1798 S1799 V1804 M1805 F1806 R1818 | P1798-E1802 PolarHBondContact O-N 2.91Å; S1799-E1802 PolarHBondContact O-N 2.96Å; E1802-V1804 VanDerWaalsContact C-N 3.31Å; E1802-V1804 PolarHBondContact O-N 2.83Å; E1802-M1805 PolarHBondContact O-N 2.97Å; E1802-F1806 WeakPolarHBondContact O-CB 3.45Å; E1802-F1806 WeakPolarHBondContact O-CD2 3.45Å; E1802-F1806 PolarHBondContact O-N 2.95Å; E1802-R1818 IonicContact OE1-CZ 3.87Å; E1802-R1818 IonicContact OE1-NH1 2.81Å; E1802-R1818 IonicContact OE1-NH2 2.86Å; E1802-R1818 PolarHBondContact OE1-NH2 2.98Å |
| 1803 | E | 36.7 | Very low | 40.9 | Very low | 170.4 Ų | 170.4 | 116.9 Ų | 116.9 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -86.9 | -12.7 | -174.9 | -107.1 | -177.9 | 166.9 | 0 | 0 | 114 | I1800 V1801 M1805 F1806 V1807 | I1800-E1803 PolarHBondContact O-N 3.09Å; V1801-E1803 VanDerWaalsContact C-N 3.31Å; V1801-E1803 HydrophobicContact CG1-CB 4.16Å; V1801-E1803 PolarHBondContact O-N 2.98Å; E1803-M1805 VanDerWaalsContact C-N 3.34Å; E1803-M1805 PolarHBondContact O-N 2.82Å; E1803-F1806 WeakPolarHBondContact O-CB 3.49Å; E1803-F1806 PolarHBondContact O-N 3.09Å; E1803-V1807 WeakPolarHBondContact O-CG2 3.21Å; E1803-V1807 PolarHBondContact O-N 3.36Å; E1803-V1807 VanDerWaalsContact O-N 3.14Å |
| 1804 | V | 38.1 | Very low | 39.9 | Very low | 111.2 Ų | 111.2 | 119 Ų | 119 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -104.4 | 13.7 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | I1800 V1801 E1802 F1806 R1808 | I1800-V1804 HydrophobicContact CG2-CG2 4.47Å; I1800-V1804 WeakPolarHBondContact O-CG2 3.38Å; I1800-V1804 PolarHBondContact O-N 2.94Å; V1801-V1804 PolarHBondContact O-N 3.28Å; E1802-V1804 VanDerWaalsContact C-N 3.31Å; E1802-V1804 PolarHBondContact O-N 2.83Å; V1804-F1806 VanDerWaalsContact C-N 3.32Å; V1804-R1808 PolarHBondContact O-N 3.23Å |
| 1805 | M | 36.4 | Very low | 38.8 | Very low | 138.4 Ų | 138.4 | 119.1 Ų | 119.1 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -110.9 | 43.5 | 165 | -73.9 | -156.8 | 89.4 | 0 | 0 | 114.3 | V1801 E1802 E1803 V1807 R1808 T1809 | V1801-M1805 HydrophobicContact CG1-CG 4.06Å; V1801-M1805 WeakPolarHBondContact O-CB 3.4Å; V1801-M1805 WeakPolarHBondContact O-CG 3.38Å; V1801-M1805 PolarHBondContact O-N 2.91Å; E1802-M1805 PolarHBondContact O-N 2.97Å; E1803-M1805 VanDerWaalsContact C-N 3.34Å; E1803-M1805 PolarHBondContact O-N 2.82Å; M1805-V1807 VanDerWaalsContact C-N 3.28Å; M1805-V1807 HydrophobicContact CE-CB 4.18Å; M1805-V1807 HydrophobicContact CE-CG2 3.9Å; M1805-V1807 PolarHBondContact O-N 3.26Å; M1805-V1807 VanDerWaalsContact O-N 3.1Å; M1805-R1808 PolarHBondContact O-N 3.04Å; M1805-T1809 PolarHBondContact O-N 3.04Å; M1805-T1809 PolarHBondContact O-OG1 2.78Å; M1805-T1809 VanDerWaalsContact O-OG1 3.09Å | ||
| 1806 | F | 33.8 | Very low | 37.8 | Very low | 190.6 Ų | 190.6 | 124.3 Ų | 124.3 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | trans | -70.2 | 34.7 | 169.5 | -136 | -85 | 0 | 0 | 0 | 112.6 | E1802 E1803 V1804 R1808 T1809 | E1802-F1806 WeakPolarHBondContact O-CB 3.45Å; E1802-F1806 WeakPolarHBondContact O-CD2 3.45Å; E1802-F1806 PolarHBondContact O-N 2.95Å; E1803-F1806 WeakPolarHBondContact O-CB 3.49Å; E1803-F1806 PolarHBondContact O-N 3.09Å; V1804-F1806 VanDerWaalsContact C-N 3.32Å; F1806-R1808 PolarHBondContact O-N 3.33Å; F1806-T1809 PolarHBondContact O-N 3.12Å | ||
| 1807 | V | 36.4 | Very low | 36.8 | Very low | 116.2 Ų | 116.2 | 124.7 Ų | 124.7 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | trans | -103.8 | 74.4 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | E1803 M1805 T1809 | E1803-V1807 WeakPolarHBondContact O-CG2 3.21Å; E1803-V1807 PolarHBondContact O-N 3.36Å; E1803-V1807 VanDerWaalsContact O-N 3.14Å; M1805-V1807 VanDerWaalsContact C-N 3.28Å; M1805-V1807 HydrophobicContact CE-CB 4.18Å; M1805-V1807 HydrophobicContact CE-CG2 3.9Å; M1805-V1807 PolarHBondContact O-N 3.26Å; M1805-V1807 VanDerWaalsContact O-N 3.1Å; V1807-T1809 PolarHBondContact O-N 3Å | ||
| 1808 | R | 34.7 | Very low | 36.1 | Very low | 216 Ų | 216 | 132.6 Ų | 132.6 | 82% | 0.815 | 72% | 0.717 | S | S | * | * | trans | -79.3 | 87.3 | -179 | -69 | 174.8 | 173.2 | 169.7 | -2.5 | 113.5 | V1804 M1805 F1806 | V1804-R1808 PolarHBondContact O-N 3.23Å; M1805-R1808 PolarHBondContact O-N 3.04Å; F1806-R1808 PolarHBondContact O-N 3.33Å | ||
| 1809 | T | 34.4 | Very low | 35.4 | Very low | 122.8 Ų | 122.8 | 135.7 Ų | 135.7 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | -150.2 | 112.4 | 146.2 | -20.1 | 0 | 0 | 0 | 0 | 111.4 | M1805 F1806 V1807 A1811 | M1805-T1809 PolarHBondContact O-N 3.04Å; M1805-T1809 PolarHBondContact O-OG1 2.78Å; M1805-T1809 VanDerWaalsContact O-OG1 3.09Å; F1806-T1809 PolarHBondContact O-N 3.12Å; V1807-T1809 PolarHBondContact O-N 3Å; T1809-A1811 PolarHBondContact O-N 3.02Å; T1809-A1811 VanDerWaalsContact O-N 3.09Å | ||
| 1810 | S | 29.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -77 | 98.9 | -178.6 | 51 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1811 | A | 31.2 | Very low | 34.5 | Very low | 78.2 Ų | 78.2 | 143.8 Ų | 143.8 | 65% | 0.646 | 75% | 0.751 | S | S | * | * | trans | -143.9 | 131.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1809 M1813 | T1809-A1811 PolarHBondContact O-N 3.02Å; T1809-A1811 VanDerWaalsContact O-N 3.09Å; A1811-M1813 VanDerWaalsContact C-N 3.26Å; A1811-M1813 PolarHBondContact O-N 2.99Å | ||
| 1812 | P | 33 | Very low | 34.2 | Very low | 128.4 Ų | 128.4 | 150.3 Ų | 150.3 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -80.7 | 107.5 | -175.9 | 32.5 | -33.9 | 0 | 0 | 0 | 111.8 | V1814 | P1812-V1814 VanDerWaalsContact C-N 3.3Å; P1812-V1814 PolarHBondContact O-N 3Å; P1812-V1814 VanDerWaalsContact O-N 3.15Å | ||
| 1813 | M | 32.6 | Very low | 34 | Very low | 175.8 Ų | 175.8 | 151.6 Ų | 151.6 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -113 | 71 | 174.1 | -67.1 | -166.3 | 75 | 0 | 0 | 113.5 | A1811 A1815 | A1811-M1813 VanDerWaalsContact C-N 3.26Å; A1811-M1813 PolarHBondContact O-N 2.99Å; M1813-A1815 PolarHBondContact O-N 3.22Å | ||
| 1814 | V | 34.5 | Very low | 34.2 | Very low | 112.4 Ų | 112.4 | 150.2 Ų | 150.2 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | trans | -95 | 95.5 | 161.5 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | P1812 H1816 | P1812-V1814 VanDerWaalsContact C-N 3.3Å; P1812-V1814 PolarHBondContact O-N 3Å; P1812-V1814 VanDerWaalsContact O-N 3.15Å; V1814-H1816 VanDerWaalsContact C-N 3.31Å; V1814-H1816 PolarHBondContact O-N 3.23Å | ||
| 1815 | A | 31.7 | Very low | 34.6 | Very low | 82.2 Ų | 82.2 | 153.7 Ų | 153.7 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -103.8 | 30.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1813 T1817 | M1813-A1815 PolarHBondContact O-N 3.22Å; A1815-T1817 VanDerWaalsContact C-N 3.35Å; A1815-T1817 PolarHBondContact O-N 2.98Å | ||
| 1816 | H | 34.4 | Very low | 35.5 | Very low | 145.6 Ų | 145.6 | 152.2 Ų | 152.2 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | -118.1 | 31.9 | -173.4 | -74.6 | -49.8 | 0 | 0 | 0 | 115.5 | Q1348 V1814 R1818 Q1819 | Q1348-H1816 PolarHBondContact NE2-NE2 3.47Å; V1814-H1816 VanDerWaalsContact C-N 3.31Å; V1814-H1816 PolarHBondContact O-N 3.23Å; H1816-R1818 PolarHBondContact O-N 3.19Å; H1816-Q1819 PolarHBondContact ND1-OE1 2.82Å; H1816-Q1819 PolarHBondContact O-N 3.2Å | ||
| 1817 | T | 33 | Very low | 36.9 | Very low | 122.6 Ų | 122.6 | 146 Ų | 146 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -88.6 | 23.6 | 168 | 38.6 | 0 | 0 | 0 | 0 | 115.5 | A1815 Q1819 | A1815-T1817 VanDerWaalsContact C-N 3.35Å; A1815-T1817 PolarHBondContact O-N 2.98Å; T1817-Q1819 PolarHBondContact O-N 3.02Å | ||
| 1818 | R | 35.7 | Very low | 38.8 | Very low | 223.8 Ų | 223.8 | 143.4 Ų | 143.4 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 28.1 | 172.5 | -72.1 | -175.4 | 171.9 | -174.5 | -5.2 | 114.4 | E1802 H1816 | E1802-R1818 IonicContact OE1-CZ 3.87Å; E1802-R1818 IonicContact OE1-NH1 2.81Å; E1802-R1818 IonicContact OE1-NH2 2.86Å; E1802-R1818 PolarHBondContact OE1-NH2 2.98Å; H1816-R1818 PolarHBondContact O-N 3.19Å |
| 1819 | Q | 32.5 | Very low | 41.1 | Very low | 151.4 Ų | 151.4 | 134.5 Ų | 134.5 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 0.7 | -176 | -85.1 | -174.6 | -33.1 | 0 | 0 | 115.3 | H1816 T1817 F1821 R1822 | H1816-Q1819 PolarHBondContact ND1-OE1 2.82Å; H1816-Q1819 PolarHBondContact O-N 3.2Å; T1817-Q1819 PolarHBondContact O-N 3.02Å; Q1819-F1821 VanDerWaalsContact C-N 3.28Å; Q1819-F1821 PolarHBondContact O-N 2.85Å; Q1819-R1822 PolarHBondContact O-N 2.92Å |
| 1820 | M | 30.3 | Very low | 43.8 | Very low | 175.6 Ų | 175.6 | 132.2 Ų | 132.2 | 87% | 0.865 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -86.8 | -6.5 | 172.7 | -81.4 | -162 | -171.8 | 0 | 0 | 114.1 | R1822 | M1820-R1822 PolarHBondContact O-N 3.08Š|
| 1821 | F | 35.4 | Very low | 46.8 | Very low | 188.2 Ų | 188.2 | 128.3 Ų | 128.3 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | trans | -103.1 | 78.3 | 164.3 | -64 | -69.9 | 0 | 0 | 0 | 109.4 | Q1819 K1823 | Q1819-F1821 VanDerWaalsContact C-N 3.28Å; Q1819-F1821 PolarHBondContact O-N 2.85Å; F1821-K1823 PolarHBondContact O-N 2.92Å | ||
| 1822 | R | 34.1 | Very low | 49.8 | Very low | 224.2 Ų | 224.2 | 128.6 Ų | 128.6 | 85% | 0.846 | 65% | 0.651 | S | S | * | * | trans | -59.7 | 129.8 | 160.2 | -97 | -174.8 | 174.1 | 175.3 | -0.4 | 107.5 | Q1819 M1820 D1824 | Q1819-R1822 PolarHBondContact O-N 2.92Å; M1820-R1822 PolarHBondContact O-N 3.08Å; R1822-D1824 VanDerWaalsContact C-N 3.25Å; R1822-D1824 PolarHBondContact O-N 3.05Å | ||
| 1823 | K | 34.9 | Very low | 52.7 | Low | 191.2 Ų | 191.2 | 125.2 Ų | 125.2 | 83% | 0.831 | 63% | 0.626 | S | S | * | * | trans | -60.4 | 110 | 175.6 | -134.5 | -179.6 | 175.8 | -173.9 | 0 | 109.8 | F1821 Q1825 | F1821-K1823 PolarHBondContact O-N 2.92Å; K1823-Q1825 PolarHBondContact O-N 2.87Å | ||
| 1824 | D | 40.6 | Very low | 55.6 | Low | 139.8 Ų | 139.8 | 117.8 Ų | 117.8 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | trans | 18.4 | 80.6 | 163.5 | -55.3 | -31.9 | 0 | 0 | 0 | 114.9 | R1822 V1826 | R1822-D1824 VanDerWaalsContact C-N 3.25Å; R1822-D1824 PolarHBondContact O-N 3.05Å; D1824-V1826 PolarHBondContact O-N 3.03Å; D1824-V1826 VanDerWaalsContact O-N 3.14Å | ||
| 1825 | Q | 47.3 | Very low | 58.5 | Low | 186.2 Ų | 186.2 | 113.7 Ų | 113.7 | 87% | 0.87 | 57% | 0.565 | S | S | * | * | trans | -99.3 | 106.9 | 159 | -75.5 | -172.6 | -17.3 | 0 | 0 | 108.6 | K1823 A1827 | K1823-Q1825 PolarHBondContact O-N 2.87Å; Q1825-A1827 PolarHBondContact O-N 2.98Å; Q1825-A1827 VanDerWaalsContact O-N 3.11Å | ||
| 1826 | V | 54.4 | Low | 61.4 | Low | 106.2 Ų | 106.2 | 114.6 Ų | 114.6 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | trans | -62.1 | 113.8 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | D1824 V1828 G1864 | D1824-V1826 PolarHBondContact O-N 3.03Å; D1824-V1826 VanDerWaalsContact O-N 3.14Å; V1826-V1828 PolarHBondContact O-N 2.92Å; V1826-G1864 VanDerWaalsContact CG1-CA 3.48Å | ||
| 1827 | A | 64.5 | Low | 64.2 | Low | 61.2 Ų | 61.2 | 108.8 Ų | 108.8 | 51% | 0.506 | 53% | 0.53 | S | S | . | . | trans | -57.1 | 131.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1825 V1829 T1863 | Q1825-A1827 PolarHBondContact O-N 2.98Å; Q1825-A1827 VanDerWaalsContact O-N 3.11Å; A1827-V1829 HydrophobicContact CB-CG2 4.42Å; A1827-V1829 PolarHBondContact O-N 2.96Å; A1827-T1863 PolarHBondContact O-OG1 2.89Å; A1827-T1863 VanDerWaalsContact O-OG1 3.07Å | ||
| 1828 | V | 75.2 | Confident | 67.1 | Low | 59.6 Ų | 59.6 | 105.2 Ų | 105.2 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | trans | -76.6 | 111.7 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | N1757 V1826 I1862 T1863 | N1757-V1828 PolarHBondContact ND2-O 2.93Å; N1757-V1828 VanDerWaalsContact ND2-O 3.12Å; V1826-V1828 PolarHBondContact O-N 2.92Å; V1828-I1862 HydrophobicContact CG1-CG2 3.49Å; V1828-I1862 VanDerWaalsContact CG1-CG2 3.45Å; V1828-T1863 WeakPolarHBondContact CA-O 3.34Å | ||
| 1829 | V | 84.1 | Confident | 69.9 | Low | 30.2 Ų | 30.2 | 97.4 Ų | 97.4 | 18% | 0.183 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | N1757 V1759 A1827 I1862 T1863 | N1757-V1829 HydrophobicContact CB-CB 4.34Å; N1757-V1829 HydrophobicContact CB-CG1 4.32Å; N1757-V1829 HydrophobicContact CB-CG2 3.99Å; N1757-V1829 WeakPolarHBondContact O-CA 3.45Å; V1759-V1829 HydrophobicContact CB-CG1 4.09Å; V1759-V1829 HydrophobicContact CG2-CG1 3.61Å; A1827-V1829 HydrophobicContact CB-CG2 4.42Å; A1827-V1829 PolarHBondContact O-N 2.96Å; V1829-I1862 CarbonylContact O-C 3.57Å; V1829-I1862 WeakPolarHBondContact O-CA 3.39Å; V1829-T1863 WeakPolarHBondContact CA-OG1 3.46Å; V1829-T1863 HydrophobicContact CB-CG2 4.47Å; V1829-T1863 WeakPolarHBondContact CB-OG1 3.34Å; V1829-T1863 PolarHBondContact N-OG1 2.9Å; V1829-T1863 PolarHBondContact O-N 2.91Å; V1829-T1863 PolarHBondContact O-OG1 3.03Å |
| 1830 | H | 90.3 | Very high | 72.8 | Confident | 73.6 Ų | 73.6 | 92.3 Ų | 92.3 | 34% | 0.341 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128.4 | 167.3 | -63.5 | 35.9 | 0 | 0 | 0 | 108 | N1757 C1758 V1759 G1861 I1862 | N1757-H1830 PolarHBondContact O-N 2.85Å; N1757-H1830 PolarHBondContact O-ND1 3.08Å; C1758-H1830 CarbonylContact C-O 3.49Å; C1758-H1830 VanDerWaalsContact CA-O 3.27Å; C1758-H1830 WeakPolarHBondContact CA-O 3.43Å; V1759-H1830 PolarHBondContact N-O 3.07Å; H1830-G1861 CarbonylContact C-O 3.53Å; H1830-G1861 VanDerWaalsContact CA-O 3.3Å; H1830-G1861 WeakPolarHBondContact CA-O 3.34Å; H1830-I1862 VanDerWaalsContact CE1-CD1 3.46Å; H1830-I1862 WeakPolarHBondContact CE1-CD1 3.23Å |
| 1831 | F | 92.6 | Very high | 75.7 | Confident | 37.8 Ų | 37.8 | 84.8 Ų | 84.8 | 17% | 0.166 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146.8 | 178.9 | 68.7 | -91.1 | 0 | 0 | 0 | 112.1 | V1759 I1833 S1860 G1861 T1863 F1869 | V1759-F1831 HydrophobicContact CB-CB 4.49Å; V1759-F1831 CarbonylContact O-C 3.55Å; V1759-F1831 VanDerWaalsContact O-CA 3.25Å; V1759-F1831 WeakPolarHBondContact O-CA 3.3Å; F1831-I1833 HydrophobicContact CD2-CD1 3.89Å; F1831-I1833 HydrophobicContact CD2-CG1 4.07Å; F1831-I1833 HydrophobicContact CE2-CD1 4.38Å; F1831-S1860 CarbonylContact O-C 3.56Å; F1831-S1860 VanDerWaalsContact O-CA 3.25Å; F1831-S1860 WeakPolarHBondContact O-CA 3.37Å; F1831-S1860 WeakPolarHBondContact O-CB 3.34Å; F1831-G1861 VanDerWaalsContact CD1-C 3.49Å; F1831-G1861 WeakPolarHBondContact CD1-O 3.23Å; F1831-G1861 VanDerWaalsContact CE1-C 3.5Å; F1831-G1861 PolarHBondContact N-O 3.11Å; F1831-G1861 PolarHBondContact O-N 2.92Å; F1831-T1863 HydrophobicContact CD1-CG2 3.85Å; F1831-T1863 HydrophobicContact CE1-CG2 4Å; F1831-F1869 HydrophobicContact CE1-CB 4.35Å; F1831-F1869 HydrophobicContact CE2-CB 4.45Å; F1831-F1869 HydrophobicContact CZ-CB 3.68Å; F1831-F1869 HydrophobicContact CZ-CG 4.36Å |
| 1832 | D | 93.8 | Very high | 78.3 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 117.7 | 169.3 | -176.8 | 29.1 | 0 | 0 | 0 | 108.5 | V1759 G1760 V1761 | V1759-D1832 PolarHBondContact O-N 3.1Å; G1760-D1832 CarbonylContact C-O 3.57Å; G1760-D1832 VanDerWaalsContact CA-O 3.31Å; G1760-D1832 WeakPolarHBondContact CA-O 3.32Å; V1761-D1832 PolarHBondContact N-O 3.12Å |
| 1833 | I | 94.1 | Very high | 80.7 | Confident | 57.6 Ų | 57.6 | 66.8 Ų | 66.8 | 30% | 0.295 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119.3 | -172.6 | -58.4 | 172.5 | 0 | 0 | 0 | 108.4 | V1761 F1831 V1835 H1858 S1859 | V1761-I1833 HydrophobicContact CB-CG1 4.38Å; V1761-I1833 CarbonylContact O-C 3.53Å; V1761-I1833 VanDerWaalsContact O-CA 3.27Å; V1761-I1833 WeakPolarHBondContact O-CA 3.42Å; F1831-I1833 HydrophobicContact CD2-CD1 3.89Å; F1831-I1833 HydrophobicContact CD2-CG1 4.07Å; F1831-I1833 HydrophobicContact CE2-CD1 4.38Å; I1833-V1835 HydrophobicContact CG2-CG2 4.34Å; I1833-H1858 CarbonylContact O-C 3.56Å; I1833-H1858 WeakPolarHBondContact O-CA 3.4Å; I1833-S1859 WeakPolarHBondContact CA-O 3.37Å; I1833-S1859 PolarHBondContact N-O 3.09Å; I1833-S1859 PolarHBondContact O-N 3.05Å |
| 1834 | V | 94.7 | Very high | 82.9 | Confident | 19.8 Ų | 19.8 | 60.5 Ų | 60.5 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.5 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | V1761 R1762 V1763 E1856 A1857 H1858 | V1761-V1834 PolarHBondContact O-N 3.18Å; R1762-V1834 CarbonylContact C-O 3.53Å; R1762-V1834 WeakPolarHBondContact CA-O 3.3Å; R1762-V1834 HydrophobicContact CG-CB 4.45Å; V1763-V1834 PolarHBondContact N-O 3.03Å; V1834-E1856 HydrophobicContact CG1-CG 3.98Å; V1834-E1856 WeakPolarHBondContact CG1-OE1 3.41Å; V1834-A1857 WeakPolarHBondContact CA-O 3.38Å; V1834-H1858 HydrophobicContact CG2-CB 4.41Å |
| 1835 | V | 94.3 | Very high | 84.5 | Confident | 26 Ų | 26 | 54 Ų | 54 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.1 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | V1763 V1766 I1833 S1837 I1838 M1854 E1856 A1857 | V1763-V1835 HydrophobicContact CB-CB 4.47Å; V1763-V1835 HydrophobicContact CB-CG1 4.26Å; V1763-V1835 HydrophobicContact CB-CG2 4.2Å; V1763-V1835 HydrophobicContact CG1-CG1 4.45Å; V1763-V1835 HydrophobicContact CG2-CG2 4.31Å; V1763-V1835 WeakPolarHBondContact O-CA 3.28Å; V1766-V1835 HydrophobicContact CG2-CG1 4.4Å; I1833-V1835 HydrophobicContact CG2-CG2 4.34Å; V1835-S1837 PolarHBondContact O-N 3.25Å; V1835-I1838 HydrophobicContact CG1-CD1 3.97Å; V1835-I1838 HydrophobicContact CG1-CG1 3.61Å; V1835-M1854 HydrophobicContact CG1-CE 4.4Å; V1835-E1856 CarbonylContact O-C 3.57Å; V1835-E1856 VanDerWaalsContact O-CA 3.28Å; V1835-E1856 WeakPolarHBondContact O-CA 3.42Å; V1835-A1857 PolarHBondContact N-O 2.96Å; V1835-A1857 PolarHBondContact O-N 3.19Å |
| 1836 | K | 93.3 | Very high | 85.7 | Confident | 101.2 Ų | 101.2 | 49 Ų | 49 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -38.8 | -169.8 | -169.5 | 178.8 | -179.3 | -177.8 | 0 | 113.9 | V1763 P1765 D1855 E1856 | V1763-K1836 PolarHBondContact O-N 3.01Å; P1765-K1836 HydrophobicContact CG-CD 4.19Å; K1836-D1855 CarbonylContact O-C 3.52Å; K1836-E1856 VanDerWaalsContact O-CA 3.28Å; K1836-E1856 WeakPolarHBondContact O-CA 3.34Å; K1836-E1856 PolarHBondContact O-N 3.02Å; K1836-E1856 VanDerWaalsContact O-N 3.16Å |
| 1837 | S | 93.5 | Very high | 86.6 | Confident | 24.6 Ų | 24.6 | 45 Ų | 45 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 148.2 | 170.4 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | P1765 V1766 V1835 M1854 | P1765-S1837 WeakPolarHBondContact CA-OG 3.43Å; P1765-S1837 WeakPolarHBondContact CB-OG 3.01Å; V1766-S1837 PolarHBondContact N-O 3.04Å; V1835-S1837 PolarHBondContact O-N 3.25Å; S1837-M1854 CarbonylContact C-O 3.55Å; S1837-M1854 WeakPolarHBondContact CA-O 3.37Å; S1837-M1854 VanDerWaalsContact CB-O 3.27Å; S1837-M1854 WeakPolarHBondContact CB-O 3.39Å |
| 1838 | I | 94.3 | Very high | 87.3 | Confident | 46.6 Ų | 46.6 | 42.2 Ų | 42.2 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125 | 169.8 | -59.2 | 177.1 | 0 | 0 | 0 | 109 | V1766 V1835 V1840 R1853 M1854 | V1766-I1838 HydrophobicContact CB-CB 4.47Å; V1766-I1838 HydrophobicContact CB-CG1 4.25Å; V1766-I1838 HydrophobicContact CB-CG2 4.43Å; V1766-I1838 HydrophobicContact CG1-CG2 4.36Å; V1766-I1838 HydrophobicContact CG2-CG1 4.39Å; V1766-I1838 CarbonylContact O-C 3.59Å; V1766-I1838 WeakPolarHBondContact O-CA 3.4Å; V1835-I1838 HydrophobicContact CG1-CD1 3.97Å; V1835-I1838 HydrophobicContact CG1-CG1 3.61Å; I1838-V1840 HydrophobicContact CG2-CG2 3.72Å; I1838-R1853 CarbonylContact O-C 3.53Å; I1838-R1853 VanDerWaalsContact O-CA 3.32Å; I1838-R1853 WeakPolarHBondContact O-CA 3.35Å; I1838-M1854 HydrophobicContact CB-CB 4.33Å; I1838-M1854 HydrophobicContact CB-CE 4.14Å; I1838-M1854 HydrophobicContact CD1-CE 3.52Å; I1838-M1854 HydrophobicContact CD1-SD 4.42Å; I1838-M1854 HydrophobicContact CG1-CE 3.67Å; I1838-M1854 PolarHBondContact N-O 2.95Å; I1838-M1854 PolarHBondContact O-N 3.03Å |
| 1839 | N | 94.3 | Very high | 87.7 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 32% | 0.316 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 108.4 | 169.1 | -103.5 | -20.5 | 0 | 0 | 0 | 108.9 | V1766 S1767 L1768 S1851 Y1852 R1853 | V1766-N1839 PolarHBondContact O-N 3.19Å; S1767-N1839 CarbonylContact C-O 3.56Å; S1767-N1839 WeakPolarHBondContact CA-O 3.27Å; L1768-N1839 PolarHBondContact N-O 3.1Å; N1839-S1851 PolarHBondContact OD1-OG 3.14Å; N1839-Y1852 CarbonylContact C-O 3.56Å; N1839-Y1852 WeakPolarHBondContact CA-O 3.38Å; N1839-Y1852 PolarHBondContact OD1-O 3.03Å; N1839-R1853 VanDerWaalsContact OD1-CB 3.3Å; N1839-R1853 WeakPolarHBondContact OD1-CB 3.38Å; N1839-R1853 WeakPolarHBondContact OD1-CD 3.21Å; N1839-R1853 VanDerWaalsContact OD1-CG 3.23Å; N1839-R1853 WeakPolarHBondContact OD1-CG 3.38Å |
| 1840 | V | 93.5 | Very high | 87.9 | Confident | 44.6 Ų | 44.6 | 40.2 Ų | 40.2 | 27% | 0.27 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.7 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | L1768 I1838 S1851 Y1852 | L1768-V1840 HydrophobicContact CB-CG1 4.45Å; L1768-V1840 HydrophobicContact CB-CG2 4.26Å; L1768-V1840 HydrophobicContact CD2-CB 4.47Å; L1768-V1840 HydrophobicContact CD2-CG1 3.91Å; L1768-V1840 HydrophobicContact CD2-CG2 4.04Å; L1768-V1840 HydrophobicContact CG-CG1 4.21Å; L1768-V1840 CarbonylContact O-C 3.46Å; I1838-V1840 HydrophobicContact CG2-CG2 3.72Å; V1840-S1851 CarbonylContact O-C 3.5Å; V1840-S1851 VanDerWaalsContact O-CA 3.28Å; V1840-S1851 WeakPolarHBondContact O-CA 3.39Å; V1840-Y1852 HydrophobicContact CB-CD1 4.46Å; V1840-Y1852 PolarHBondContact N-O 3.08Å; V1840-Y1852 PolarHBondContact O-N 3.03Å |
| 1841 | S | 91.3 | Very high | 87.9 | Confident | 17.6 Ų | 17.6 | 38.2 Ų | 38.2 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132 | 174.3 | 78.4 | 0 | 0 | 0 | 0 | 110.7 | L1768 D1769 I1770 K1849 A1850 S1851 | L1768-S1841 PolarHBondContact O-N 2.96Å; L1768-S1841 PolarHBondContact O-OG 3.01Å; D1769-S1841 CarbonylContact C-O 3.53Å; D1769-S1841 VanDerWaalsContact CA-O 3.3Å; D1769-S1841 WeakPolarHBondContact CA-O 3.3Å; D1769-S1841 PolarHBondContact OD1-OG 2.74Å; I1770-S1841 PolarHBondContact N-O 2.99Å; S1841-K1849 VanDerWaalsContact OG-CE 3.3Å; S1841-K1849 WeakPolarHBondContact OG-CE 3.28Å; S1841-K1849 PolarHBondContact OG-NZ 3.05Å; S1841-A1850 CarbonylContact C-O 3.55Å; S1841-A1850 VanDerWaalsContact CA-O 3.27Å; S1841-A1850 WeakPolarHBondContact CA-O 3.3Å; S1841-S1851 VanDerWaalsContact CB-OG 3.28Å; S1841-S1851 WeakPolarHBondContact CB-OG 3.39Å |
| 1842 | A | 89.3 | Confident | 87.9 | Confident | 20.2 Ų | 20.2 | 39.7 Ų | 39.7 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 134.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1770 L1844 K1849 A1850 | I1770-A1842 HydrophobicContact CB-CB 3.99Å; I1770-A1842 HydrophobicContact CD1-CB 4.4Å; I1770-A1842 HydrophobicContact CG1-CB 4.36Å; I1770-A1842 WeakPolarHBondContact O-CA 3.43Å; A1842-L1844 PolarHBondContact O-N 2.98Å; A1842-L1844 VanDerWaalsContact O-N 3.14Å; A1842-K1849 CarbonylContact O-C 3.55Å; A1842-K1849 WeakPolarHBondContact O-CA 3.39Å; A1842-A1850 PolarHBondContact N-O 2.94Å; A1842-A1850 PolarHBondContact O-N 2.98Å |
| 1843 | A | 85.3 | Confident | 87.9 | Confident | 15.4 Ų | 15.4 | 41.6 Ų | 41.6 | 13% | 0.127 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 107.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I1770 H1773 L1845 L1848 | I1770-A1843 PolarHBondContact O-N 3.17Å; H1773-A1843 VanDerWaalsContact CA-O 3.31Å; H1773-A1843 WeakPolarHBondContact CA-O 3.32Å; H1773-A1843 HydrophobicContact CB-CB 4.36Å; A1843-L1845 VanDerWaalsContact C-N 3.32Å; A1843-L1848 CarbonylContact C-O 3.56Å |
| 1844 | L | 80 | Confident | 87.8 | Confident | 59.2 Ų | 59.2 | 39.5 Ų | 39.5 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -72.8 | -34 | 170.3 | -64 | -177 | 0 | 0 | 0 | 109.9 | P1774 A1842 L1848 A1850 F1880 | P1774-L1844 WeakPolarHBondContact CD-O 3.39Å; A1842-L1844 PolarHBondContact O-N 2.98Å; A1842-L1844 VanDerWaalsContact O-N 3.14Å; L1844-L1848 HydrophobicContact CB-CD2 4.31Å; L1844-L1848 HydrophobicContact CB-CG 4.45Å; L1844-L1848 HydrophobicContact CD1-CD2 4.14Å; L1844-L1848 PolarHBondContact N-O 3Å; L1844-A1850 HydrophobicContact CD1-CB 3.67Å; L1844-A1850 HydrophobicContact CD2-CB 4.42Å; L1844-A1850 HydrophobicContact CG-CB 3.82Å; L1844-F1880 HydrophobicContact CD1-CD1 4.41Å; L1844-F1880 HydrophobicContact CD1-CE1 3.91Å |
| 1845 | L | 75.4 | Confident | 87.7 | Confident | 3.2 Ų | 3.2 | 41.2 Ų | 41.2 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -143.8 | 165.1 | -178.8 | -56.3 | 173.3 | 0 | 0 | 0 | 109.4 | A1843 S1847 L1848 T1959 F1960 E1963 I1967 | A1843-L1845 VanDerWaalsContact C-N 3.32Å; L1845-S1847 PolarHBondContact O-N 3.09Å; L1845-S1847 VanDerWaalsContact O-N 3.15Å; L1845-L1848 HydrophobicContact CB-CB 3.95Å; L1845-L1848 HydrophobicContact CD1-CB 3.8Å; L1845-L1848 HydrophobicContact CD1-CD2 4Å; L1845-L1848 HydrophobicContact CD1-CG 4.48Å; L1845-L1848 HydrophobicContact CG-CB 4.06Å; L1845-L1848 HydrophobicContact CG-CD2 4.4Å; L1845-L1848 PolarHBondContact N-O 3.02Å; L1845-L1848 VanDerWaalsContact N-O 3.14Å; L1845-L1848 PolarHBondContact O-N 3.08Å; L1845-L1848 VanDerWaalsContact O-O 3.1Å; L1845-T1959 WeakPolarHBondContact CD1-O 3.4Å; L1845-F1960 VanDerWaalsContact CD1-CA 3.48Å; L1845-F1960 HydrophobicContact CD1-CB 4.25Å; L1845-F1960 HydrophobicContact CD1-CD2 4.11Å; L1845-F1960 HydrophobicContact CD2-CD2 4.15Å; L1845-F1960 HydrophobicContact CD2-CE2 4.39Å; L1845-F1960 HydrophobicContact CG-CD2 4.24Å; L1845-E1963 HydrophobicContact CB-CB 4.44Å; L1845-E1963 VanDerWaalsContact CB-OE2 3.31Å; L1845-E1963 WeakPolarHBondContact CB-OE2 3.31Å; L1845-E1963 HydrophobicContact CD1-CB 4.23Å; L1845-E1963 HydrophobicContact CD1-CG 4.3Å; L1845-E1963 HydrophobicContact CD2-CB 3.76Å; L1845-E1963 HydrophobicContact CG-CB 4.37Å; L1845-I1967 HydrophobicContact CD2-CD1 4Å |
| 1846 | P | 72.7 | Confident | 87.6 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -49.2 | -38.9 | 165.6 | -27.2 | 33.5 | 0 | 0 | 0 | 113.8 | E1963 | P1846-E1963 VanDerWaalsContact CD-OE2 3.25Å; P1846-E1963 WeakPolarHBondContact CD-OE2 3.39Å |
| 1847 | S | 73.1 | Confident | 87.6 | Confident | 22.8 Ų | 22.8 | 40.7 Ų | 40.7 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -92.5 | -11.8 | -177 | 43.7 | 0 | 0 | 0 | 0 | 115 | L1845 V1882 K1883 E1963 | L1845-S1847 PolarHBondContact O-N 3.09Å; L1845-S1847 VanDerWaalsContact O-N 3.15Å; S1847-V1882 CarbonylContact O-C 3.57Å; S1847-V1882 VanDerWaalsContact O-CA 3.3Å; S1847-V1882 WeakPolarHBondContact O-CA 3.32Å; S1847-V1882 WeakPolarHBondContact O-CG1 3.42Å; S1847-K1883 PolarHBondContact O-N 2.99Å; S1847-E1963 WeakPolarHBondContact CB-OE1 3.41Å; S1847-E1963 WeakPolarHBondContact CB-OE2 3.33Å; S1847-E1963 PolarHBondContact N-OE2 3.03Å; S1847-E1963 VanDerWaalsContact OG-CD 3.26Å; S1847-E1963 PolarHBondContact OG-OE1 3.01Å; S1847-E1963 VanDerWaalsContact OG-OE1 3.05Å; S1847-E1963 PolarHBondContact OG-OE2 3.14Å; S1847-E1963 VanDerWaalsContact OG-OE2 3.1Å |
| 1848 | L | 77.6 | Confident | 87.6 | Confident | 2.8 Ų | 2.8 | 43.6 Ų | 43.6 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 116.9 | -169.6 | -174.7 | 69.3 | 0 | 0 | 0 | 112.1 | A1843 L1844 L1845 F1880 V1882 I1956 | A1843-L1848 CarbonylContact C-O 3.56Å; L1844-L1848 HydrophobicContact CB-CD2 4.31Å; L1844-L1848 HydrophobicContact CB-CG 4.45Å; L1844-L1848 HydrophobicContact CD1-CD2 4.14Å; L1844-L1848 PolarHBondContact N-O 3Å; L1845-L1848 HydrophobicContact CB-CB 3.95Å; L1845-L1848 HydrophobicContact CD1-CB 3.8Å; L1845-L1848 HydrophobicContact CD1-CD2 4Å; L1845-L1848 HydrophobicContact CD1-CG 4.48Å; L1845-L1848 HydrophobicContact CG-CB 4.06Å; L1845-L1848 HydrophobicContact CG-CD2 4.4Å; L1845-L1848 PolarHBondContact N-O 3.02Å; L1845-L1848 VanDerWaalsContact N-O 3.14Å; L1845-L1848 PolarHBondContact O-N 3.08Å; L1845-L1848 VanDerWaalsContact O-O 3.1Å; L1848-F1880 HydrophobicContact CD1-CB 4.25Å; L1848-F1880 HydrophobicContact CD1-CD1 4.31Å; L1848-F1880 HydrophobicContact CD2-CD1 4.32Å; L1848-F1880 HydrophobicContact CG-CD1 4.43Å; L1848-V1882 HydrophobicContact CD1-CG2 3.88Å; L1848-I1956 HydrophobicContact CD1-CD1 4.35Å; L1848-I1956 HydrophobicContact CD1-CG1 4.29Å; L1848-I1956 HydrophobicContact CD1-CG2 4.33Å; L1848-I1956 HydrophobicContact CD2-CG2 4.06Å |
| 1849 | K | 84.2 | Confident | 87.6 | Confident | 37.4 Ų | 37.4 | 42.6 Ų | 42.6 | 16% | 0.163 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.5 | 170.5 | -178.9 | 162.5 | 175.4 | 162.8 | 0 | 109.8 | D1769 S1841 A1842 D1881 | D1769-K1849 IonicContact OD1-NZ 3.27Å; D1769-K1849 PolarHBondContact OD1-NZ 2.92Å; D1769-K1849 IonicContact OD2-NZ 3.04Å; D1769-K1849 PolarHBondContact OD2-NZ 3.13Å; S1841-K1849 VanDerWaalsContact OG-CE 3.3Å; S1841-K1849 WeakPolarHBondContact OG-CE 3.28Å; S1841-K1849 PolarHBondContact OG-NZ 3.05Å; A1842-K1849 CarbonylContact O-C 3.55Å; A1842-K1849 WeakPolarHBondContact O-CA 3.39Å; K1849-D1881 HydrophobicContact CB-CB 4.47Å; K1849-D1881 PolarHBondContact N-O 3.1Å; K1849-D1881 PolarHBondContact O-N 3.07Å |
| 1850 | A | 87.8 | Confident | 87.6 | Confident | 9.8 Ų | 9.8 | 42 Ų | 42 | 8% | 0.081 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 145.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | S1841 A1842 L1844 I1878 T1879 F1880 | S1841-A1850 CarbonylContact C-O 3.55Å; S1841-A1850 VanDerWaalsContact CA-O 3.27Å; S1841-A1850 WeakPolarHBondContact CA-O 3.3Å; A1842-A1850 PolarHBondContact N-O 2.94Å; A1842-A1850 PolarHBondContact O-N 2.98Å; L1844-A1850 HydrophobicContact CD1-CB 3.67Å; L1844-A1850 HydrophobicContact CD2-CB 4.42Å; L1844-A1850 HydrophobicContact CG-CB 3.82Å; A1850-I1878 HydrophobicContact CB-CD1 4.49Å; A1850-T1879 CarbonylContact C-O 3.49Å; A1850-T1879 WeakPolarHBondContact CA-O 3.36Å; A1850-F1880 HydrophobicContact CB-CD1 4.02Å; A1850-F1880 HydrophobicContact CB-CE1 4.01Å |
| 1851 | S | 90.7 | Very high | 87.4 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 108.8 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | N1839 V1840 S1841 I1878 T1879 | N1839-S1851 PolarHBondContact OD1-OG 3.14Å; V1840-S1851 CarbonylContact O-C 3.5Å; V1840-S1851 VanDerWaalsContact O-CA 3.28Å; V1840-S1851 WeakPolarHBondContact O-CA 3.39Å; S1841-S1851 VanDerWaalsContact CB-OG 3.28Å; S1841-S1851 WeakPolarHBondContact CB-OG 3.39Å; S1851-I1878 CarbonylContact O-C 3.5Å; S1851-I1878 WeakPolarHBondContact O-CA 3.42Å; S1851-T1879 VanDerWaalsContact CB-OG1 3.3Å; S1851-T1879 WeakPolarHBondContact CB-OG1 3.29Å; S1851-T1879 PolarHBondContact N-O 3.02Å; S1851-T1879 PolarHBondContact O-N 3.05Å; S1851-T1879 PolarHBondContact O-OG1 3.21Å; S1851-T1879 VanDerWaalsContact O-OG1 3.11Å; S1851-T1879 PolarHBondContact OG-OG1 3.16Å; S1851-T1879 VanDerWaalsContact OG-OG1 3.05Å |
| 1852 | Y | 93 | Very high | 87.3 | Confident | 70.6 Ų | 70.6 | 42.3 Ų | 42.3 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.7 | 171.4 | 173.6 | -97.5 | 0 | 0 | 0 | 109.5 | N1839 V1840 M1854 H1876 N1877 F1900 | N1839-Y1852 CarbonylContact C-O 3.56Å; N1839-Y1852 WeakPolarHBondContact CA-O 3.38Å; N1839-Y1852 PolarHBondContact OD1-O 3.03Å; V1840-Y1852 HydrophobicContact CB-CD1 4.46Å; V1840-Y1852 PolarHBondContact N-O 3.08Å; V1840-Y1852 PolarHBondContact O-N 3.03Å; Y1852-M1854 HydrophobicContact CE1-CB 3.85Å; Y1852-H1876 HydrophobicContact CE2-CB 4.1Å; Y1852-H1876 AromaticContact CE2-CD2 3.88Å; Y1852-H1876 WeakPolarHBondContact OH-CB 3.45Å; Y1852-H1876 PolarHBondContact OH-CD2 3.03Å; Y1852-N1877 WeakPolarHBondContact CA-O 3.4Å; Y1852-N1877 WeakPolarHBondContact CD2-O 3.33Å; Y1852-F1900 HydrophobicContact CD2-CE2 4.24Å; Y1852-F1900 HydrophobicContact CE2-CD2 4.41Å; Y1852-F1900 HydrophobicContact CE2-CE2 4.41Å |
| 1853 | R | 92.8 | Very high | 87.2 | Confident | 123.8 Ų | 123.8 | 43.6 Ų | 43.6 | 47% | 0.467 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.4 | 173.4 | 163.5 | 175.5 | 175.4 | -174.9 | -3 | 110.5 | I1838 N1839 D1855 H1876 N1877 | I1838-R1853 CarbonylContact O-C 3.53Å; I1838-R1853 VanDerWaalsContact O-CA 3.32Å; I1838-R1853 WeakPolarHBondContact O-CA 3.35Å; N1839-R1853 VanDerWaalsContact OD1-CB 3.3Å; N1839-R1853 WeakPolarHBondContact OD1-CB 3.38Å; N1839-R1853 WeakPolarHBondContact OD1-CD 3.21Å; N1839-R1853 VanDerWaalsContact OD1-CG 3.23Å; N1839-R1853 WeakPolarHBondContact OD1-CG 3.38Å; R1853-D1855 IonicContact CZ-OD1 3.35Å; R1853-D1855 VanDerWaalsContact CZ-OD1 3.29Å; R1853-D1855 IonicContact NE-OD1 3.31Å; R1853-D1855 PolarHBondContact NE-OD1 2.99Å; R1853-D1855 IonicContact NH2-OD1 3.32Å; R1853-D1855 PolarHBondContact NH2-OD1 2.94Å; R1853-D1855 IonicContact NH2-OD2 2.63Å; R1853-H1876 CarbonylContact O-C 3.52Å; R1853-H1876 VanDerWaalsContact O-CA 3.22Å; R1853-H1876 WeakPolarHBondContact O-CA 3.27Å; R1853-H1876 WeakPolarHBondContact O-CB 3.4Å; R1853-N1877 VanDerWaalsContact CB-OD1 3.3Å; R1853-N1877 WeakPolarHBondContact CB-OD1 3.24Å; R1853-N1877 PolarHBondContact N-O 3.03Å; R1853-N1877 PolarHBondContact O-N 3.04Å; R1853-N1877 PolarHBondContact O-OD1 2.89Å |
| 1854 | M | 93.2 | Very high | 86.8 | Confident | 14.2 Ų | 14.2 | 43.7 Ų | 43.7 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.8 | 175.5 | -172.8 | -171.6 | 79.9 | 0 | 0 | 108.4 | V1835 S1837 I1838 Y1852 A1857 V1873 H1876 | V1835-M1854 HydrophobicContact CG1-CE 4.4Å; S1837-M1854 CarbonylContact C-O 3.55Å; S1837-M1854 WeakPolarHBondContact CA-O 3.37Å; S1837-M1854 VanDerWaalsContact CB-O 3.27Å; S1837-M1854 WeakPolarHBondContact CB-O 3.39Å; I1838-M1854 HydrophobicContact CB-CB 4.33Å; I1838-M1854 HydrophobicContact CB-CE 4.14Å; I1838-M1854 HydrophobicContact CD1-CE 3.52Å; I1838-M1854 HydrophobicContact CD1-SD 4.42Å; I1838-M1854 HydrophobicContact CG1-CE 3.67Å; I1838-M1854 PolarHBondContact N-O 2.95Å; I1838-M1854 PolarHBondContact O-N 3.03Å; Y1852-M1854 HydrophobicContact CE1-CB 3.85Å; M1854-A1857 HydrophobicContact CE-CB 3.49Å; M1854-A1857 VanDerWaalsContact CE-CB 3.47Å; M1854-A1857 HydrophobicContact SD-CB 3.99Å; M1854-V1873 HydrophobicContact CG-CG1 3.49Å; M1854-V1873 VanDerWaalsContact CG-CG1 3.46Å; M1854-V1873 HydrophobicContact SD-CB 4.47Å; M1854-V1873 HydrophobicContact SD-CG1 3.63Å; M1854-V1873 VanDerWaalsContact SD-CG1 3.59Å; M1854-V1873 HydrophobicContact SD-CG2 4.07Å; M1854-H1876 HydrophobicContact CB-CB 4.17Å; M1854-H1876 HydrophobicContact CG-CB 4.15Å |
| 1855 | D | 91.7 | Very high | 86.4 | Confident | 54.4 Ų | 54.4 | 44.1 Ų | 44.1 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | trans | -85.2 | -157.3 | 174 | -60.5 | -43.3 | 0 | 0 | 0 | 110.4 | K1836 R1853 A1857 C1875 | K1836-D1855 CarbonylContact O-C 3.52Å; R1853-D1855 IonicContact CZ-OD1 3.35Å; R1853-D1855 VanDerWaalsContact CZ-OD1 3.29Å; R1853-D1855 IonicContact NE-OD1 3.31Å; R1853-D1855 PolarHBondContact NE-OD1 2.99Å; R1853-D1855 IonicContact NH2-OD1 3.32Å; R1853-D1855 PolarHBondContact NH2-OD1 2.94Å; R1853-D1855 IonicContact NH2-OD2 2.63Å; D1855-A1857 PolarHBondContact O-N 3.06Å; D1855-A1857 VanDerWaalsContact O-N 3.14Å; D1855-C1875 HydrophobicContact CB-CB 4.23Å; D1855-C1875 PolarHBondContact N-O 3.21Å; D1855-C1875 VanDerWaalsContact OD2-CB 3.26Å; D1855-C1875 WeakPolarHBondContact OD2-CB 3.25Å | ||
| 1856 | E | 93.6 | Very high | 86.3 | Confident | 108.6 Ų | 108.6 | 47 Ų | 47 | 51% | 0.507 | 27% | 0.269 | S | S | . | . | trans | -66.2 | 114.8 | -170.6 | -171.8 | 168.5 | 147 | 0 | 0 | 112.7 | V1834 V1835 K1836 P1874 | V1834-E1856 HydrophobicContact CG1-CG 3.98Å; V1834-E1856 WeakPolarHBondContact CG1-OE1 3.41Å; V1835-E1856 CarbonylContact O-C 3.57Å; V1835-E1856 VanDerWaalsContact O-CA 3.28Å; V1835-E1856 WeakPolarHBondContact O-CA 3.42Å; K1836-E1856 VanDerWaalsContact O-CA 3.28Å; K1836-E1856 WeakPolarHBondContact O-CA 3.34Å; K1836-E1856 PolarHBondContact O-N 3.02Å; K1836-E1856 VanDerWaalsContact O-N 3.16Å; E1856-P1874 WeakPolarHBondContact O-CD 3.38Å; E1856-P1874 WeakPolarHBondContact O-CG 3.33Å | ||
| 1857 | A | 93 | Very high | 86.8 | Confident | 9.8 Ų | 9.8 | 44.1 Ų | 44.1 | 8% | 0.081 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1834 V1835 M1854 D1855 V1872 V1873 | V1834-A1857 WeakPolarHBondContact CA-O 3.38Å; V1835-A1857 PolarHBondContact N-O 2.96Å; V1835-A1857 PolarHBondContact O-N 3.19Å; M1854-A1857 HydrophobicContact CE-CB 3.49Å; M1854-A1857 VanDerWaalsContact CE-CB 3.47Å; M1854-A1857 HydrophobicContact SD-CB 3.99Å; D1855-A1857 PolarHBondContact O-N 3.06Å; D1855-A1857 VanDerWaalsContact O-N 3.14Å; A1857-V1872 WeakPolarHBondContact CA-O 3.39Å; A1857-V1872 WeakPolarHBondContact CB-O 3.23Å; A1857-V1873 HydrophobicContact CB-CG2 4.08Å |
| 1858 | H | 93.6 | Very high | 87.6 | Confident | 85.4 Ų | 85.4 | 46.4 Ų | 46.4 | 40% | 0.395 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.1 | 179.2 | 58.2 | -92.2 | 0 | 0 | 0 | 112.1 | I1833 V1834 V1871 V1872 | I1833-H1858 CarbonylContact O-C 3.56Å; I1833-H1858 WeakPolarHBondContact O-CA 3.4Å; V1834-H1858 HydrophobicContact CG2-CB 4.41Å; H1858-V1871 CarbonylContact O-C 3.51Å; H1858-V1871 WeakPolarHBondContact O-CA 3.37Å; H1858-V1872 WeakPolarHBondContact CE1-CB 3.34Å; H1858-V1872 WeakPolarHBondContact CE1-CG1 3.16Å; H1858-V1872 PolarHBondContact N-O 3.24Å; H1858-V1872 VanDerWaalsContact N-O 3.09Å; H1858-V1872 WeakPolarHBondContact NE2-CB 3.39Å; H1858-V1872 WeakPolarHBondContact NE2-CG2 3.41Å; H1858-V1872 PolarHBondContact O-N 3.04Å |
| 1859 | S | 93.7 | Very high | 88.4 | Confident | 24.8 Ų | 24.8 | 48.7 Ų | 48.7 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 119.5 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 110 | I1833 I1870 V1871 | I1833-S1859 WeakPolarHBondContact CA-O 3.37Å; I1833-S1859 PolarHBondContact N-O 3.09Å; I1833-S1859 PolarHBondContact O-N 3.05Å; S1859-I1870 CarbonylContact C-O 3.57Å; S1859-I1870 VanDerWaalsContact CA-O 3.25Å; S1859-I1870 WeakPolarHBondContact CA-O 3.36Å; S1859-I1870 WeakPolarHBondContact CB-O 3.48Å; S1859-I1870 PolarHBondContact OG-O 2.88Å; S1859-V1871 WeakPolarHBondContact OG-CG2 3.48Å |
| 1860 | S | 93.3 | Very high | 88.8 | Confident | 46.2 Ų | 46.2 | 50.1 Ų | 50.1 | 32% | 0.323 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | F1831 F1869 I1870 | F1831-S1860 CarbonylContact O-C 3.56Å; F1831-S1860 VanDerWaalsContact O-CA 3.25Å; F1831-S1860 WeakPolarHBondContact O-CA 3.37Å; F1831-S1860 WeakPolarHBondContact O-CB 3.34Å; S1860-F1869 CarbonylContact O-C 3.55Å; S1860-F1869 VanDerWaalsContact O-CA 3.29Å; S1860-F1869 WeakPolarHBondContact O-CA 3.29Å; S1860-I1870 PolarHBondContact N-O 3.21Å; S1860-I1870 VanDerWaalsContact N-O 3.12Å; S1860-I1870 PolarHBondContact O-N 3.16Å |
| 1861 | G | 90.9 | Very high | 89.1 | Confident | 16.6 Ų | 16.6 | 51.7 Ų | 51.7 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -163.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | H1830 F1831 N1868 | H1830-G1861 CarbonylContact C-O 3.53Å; H1830-G1861 VanDerWaalsContact CA-O 3.3Å; H1830-G1861 WeakPolarHBondContact CA-O 3.34Å; F1831-G1861 VanDerWaalsContact CD1-C 3.49Å; F1831-G1861 WeakPolarHBondContact CD1-O 3.23Å; F1831-G1861 VanDerWaalsContact CE1-C 3.5Å; F1831-G1861 PolarHBondContact N-O 3.11Å; F1831-G1861 PolarHBondContact O-N 2.92Å; G1861-N1868 CarbonylContact C-O 3.51Å; G1861-N1868 WeakPolarHBondContact CA-O 3.39Å |
| 1862 | I | 89.5 | Confident | 89.2 | Confident | 51.4 Ų | 51.4 | 51.3 Ų | 51.3 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.1 | 179.5 | -56.5 | 179.9 | 0 | 0 | 0 | 107.8 | V1828 V1829 H1830 A1867 N1868 | V1828-I1862 HydrophobicContact CG1-CG2 3.49Å; V1828-I1862 VanDerWaalsContact CG1-CG2 3.45Å; V1829-I1862 CarbonylContact O-C 3.57Å; V1829-I1862 WeakPolarHBondContact O-CA 3.39Å; H1830-I1862 VanDerWaalsContact CE1-CD1 3.46Å; H1830-I1862 WeakPolarHBondContact CE1-CD1 3.23Å; I1862-A1867 CarbonylContact O-C 3.51Å; I1862-A1867 WeakPolarHBondContact O-CA 3.22Å; I1862-A1867 WeakPolarHBondContact O-CB 3.27Å; I1862-N1868 PolarHBondContact N-O 3.02Å; I1862-N1868 PolarHBondContact O-N 3Å; I1862-N1868 VanDerWaalsContact O-N 3.13Å |
| 1863 | T | 86 | Confident | 89.2 | Confident | 48.4 Ų | 48.4 | 48.8 Ų | 48.8 | 30% | 0.297 | 28% | 0.278 | S | S | . | . | trans | -99.4 | 170.2 | 174 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | A1827 V1828 V1829 F1831 | A1827-T1863 PolarHBondContact O-OG1 2.89Å; A1827-T1863 VanDerWaalsContact O-OG1 3.07Å; V1828-T1863 WeakPolarHBondContact CA-O 3.34Å; V1829-T1863 WeakPolarHBondContact CA-OG1 3.46Å; V1829-T1863 HydrophobicContact CB-CG2 4.47Å; V1829-T1863 WeakPolarHBondContact CB-OG1 3.34Å; V1829-T1863 PolarHBondContact N-OG1 2.9Å; V1829-T1863 PolarHBondContact O-N 2.91Å; V1829-T1863 PolarHBondContact O-OG1 3.03Å; F1831-T1863 HydrophobicContact CD1-CG2 3.85Å; F1831-T1863 HydrophobicContact CE1-CG2 4Å | ||
| 1864 | G | 76.1 | Confident | 89 | Confident | 17.4 Ų | 17.4 | 45.5 Ų | 45.5 | 18% | 0.179 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 96 | -151.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1826 A1866 A1867 | V1826-G1864 VanDerWaalsContact CG1-CA 3.48Å; G1864-A1866 VanDerWaalsContact C-N 3.25Å; G1864-A1866 PolarHBondContact O-N 3Å; G1864-A1867 WeakPolarHBondContact O-CB 3.34Å; G1864-A1867 PolarHBondContact O-N 3.08Å |
| 1865 | S | 71.7 | Confident | 88.8 | Confident | 67.4 Ų | 67.4 | 48 Ų | 48 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.1 | -174.5 | 49 | 0 | 0 | 0 | 0 | 114.7 | Y1909 Q1911 | S1865-Y1909 WeakPolarHBondContact O-CD1 3.32Å; S1865-Q1911 PolarHBondContact O-NE2 2.95Å |
| 1866 | A | 74.1 | Confident | 88.8 | Confident | 64.2 Ų | 64.2 | 46.8 Ų | 46.8 | 53% | 0.531 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1864 N1868 | G1864-A1866 VanDerWaalsContact C-N 3.25Å; G1864-A1866 PolarHBondContact O-N 3Å; A1866-N1868 PolarHBondContact O-N 2.99Å |
| 1867 | A | 82.9 | Confident | 88.6 | Confident | 19 Ų | 19 | 43 Ų | 43 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | trans | -59.5 | 130.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I1862 G1864 C1908 Y1909 | I1862-A1867 CarbonylContact O-C 3.51Å; I1862-A1867 WeakPolarHBondContact O-CA 3.22Å; I1862-A1867 WeakPolarHBondContact O-CB 3.27Å; G1864-A1867 WeakPolarHBondContact O-CB 3.34Å; G1864-A1867 PolarHBondContact O-N 3.08Å; A1867-C1908 CarbonylContact O-C 3.49Å; A1867-C1908 VanDerWaalsContact O-CA 3.28Å; A1867-C1908 WeakPolarHBondContact O-CA 3.36Å; A1867-Y1909 PolarHBondContact O-N 2.97Å | ||
| 1868 | N | 91 | Very high | 88.3 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 124.4 | 179.4 | 178.2 | 17.7 | 0 | 0 | 0 | 108 | G1861 I1862 A1866 G1907 C1908 | G1861-N1868 CarbonylContact C-O 3.51Å; G1861-N1868 WeakPolarHBondContact CA-O 3.39Å; I1862-N1868 PolarHBondContact N-O 3.02Å; I1862-N1868 PolarHBondContact O-N 3Å; I1862-N1868 VanDerWaalsContact O-N 3.13Å; A1866-N1868 PolarHBondContact O-N 2.99Å; N1868-G1907 CarbonylContact C-O 3.54Å; N1868-G1907 VanDerWaalsContact CA-O 3.29Å; N1868-G1907 WeakPolarHBondContact CA-O 3.3Å; N1868-G1907 PolarHBondContact OD1-O 2.92Å; N1868-C1908 HydrophobicContact CB-CB 4.47Å |
| 1869 | F | 92.8 | Very high | 88 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.9 | -174.6 | 62.6 | -96.5 | 0 | 0 | 0 | 112.4 | F1831 S1860 V1871 K1906 G1907 L1932 I1934 | F1831-F1869 HydrophobicContact CE1-CB 4.35Å; F1831-F1869 HydrophobicContact CE2-CB 4.45Å; F1831-F1869 HydrophobicContact CZ-CB 3.68Å; F1831-F1869 HydrophobicContact CZ-CG 4.36Å; S1860-F1869 CarbonylContact O-C 3.55Å; S1860-F1869 VanDerWaalsContact O-CA 3.29Å; S1860-F1869 WeakPolarHBondContact O-CA 3.29Å; F1869-V1871 HydrophobicContact CD2-CG2 4.11Å; F1869-V1871 HydrophobicContact CE2-CG2 4.38Å; F1869-K1906 CarbonylContact O-C 3.52Å; F1869-K1906 VanDerWaalsContact O-CA 3.31Å; F1869-K1906 WeakPolarHBondContact O-CA 3.35Å; F1869-G1907 WeakPolarHBondContact CD1-O 3.31Å; F1869-G1907 PolarHBondContact N-O 3.07Å; F1869-G1907 PolarHBondContact O-N 3.03Å; F1869-L1932 HydrophobicContact CE1-CD1 4.14Å; F1869-L1932 HydrophobicContact CZ-CD1 4.49Å; F1869-I1934 HydrophobicContact CZ-CD1 4.23Å; F1869-I1934 HydrophobicContact CZ-CG1 4.33Å |
| 1870 | I | 94.3 | Very high | 87.4 | Confident | 66.6 Ų | 66.6 | 41.7 Ų | 41.7 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133 | 174.2 | -58.7 | 174.1 | 0 | 0 | 0 | 107.5 | S1859 S1860 V1872 A1905 K1906 | S1859-I1870 CarbonylContact C-O 3.57Å; S1859-I1870 VanDerWaalsContact CA-O 3.25Å; S1859-I1870 WeakPolarHBondContact CA-O 3.36Å; S1859-I1870 WeakPolarHBondContact CB-O 3.48Å; S1859-I1870 PolarHBondContact OG-O 2.88Å; S1860-I1870 PolarHBondContact N-O 3.21Å; S1860-I1870 VanDerWaalsContact N-O 3.12Å; S1860-I1870 PolarHBondContact O-N 3.16Å; I1870-V1872 HydrophobicContact CG2-CG2 4.08Å; I1870-A1905 CarbonylContact C-O 3.54Å; I1870-A1905 VanDerWaalsContact CA-O 3.31Å; I1870-A1905 WeakPolarHBondContact CA-O 3.33Å; I1870-K1906 HydrophobicContact CG1-CB 4.45Å; I1870-K1906 HydrophobicContact CG1-CD 4.43Å; I1870-K1906 HydrophobicContact CG1-CG 4.18Å |
| 1871 | V | 93.2 | Very high | 86.7 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.8 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | H1858 S1859 F1869 V1873 K1904 A1905 | H1858-V1871 CarbonylContact O-C 3.51Å; H1858-V1871 WeakPolarHBondContact O-CA 3.37Å; S1859-V1871 WeakPolarHBondContact OG-CG2 3.48Å; F1869-V1871 HydrophobicContact CD2-CG2 4.11Å; F1869-V1871 HydrophobicContact CE2-CG2 4.38Å; V1871-V1873 HydrophobicContact CG1-CG2 4.45Å; V1871-K1904 CarbonylContact O-C 3.52Å; V1871-K1904 WeakPolarHBondContact O-CA 3.41Å; V1871-A1905 HydrophobicContact CB-CB 4.45Å; V1871-A1905 PolarHBondContact N-O 3.05Å; V1871-A1905 PolarHBondContact O-N 2.92Å |
| 1872 | V | 93.9 | Very high | 85.8 | Confident | 24.2 Ų | 24.2 | 42.4 Ų | 42.4 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 129.9 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | A1857 H1858 I1870 P1874 L1903 K1904 | A1857-V1872 WeakPolarHBondContact CA-O 3.39Å; A1857-V1872 WeakPolarHBondContact CB-O 3.23Å; H1858-V1872 WeakPolarHBondContact CE1-CB 3.34Å; H1858-V1872 WeakPolarHBondContact CE1-CG1 3.16Å; H1858-V1872 PolarHBondContact N-O 3.24Å; H1858-V1872 VanDerWaalsContact N-O 3.09Å; H1858-V1872 WeakPolarHBondContact NE2-CB 3.39Å; H1858-V1872 WeakPolarHBondContact NE2-CG2 3.41Å; H1858-V1872 PolarHBondContact O-N 3.04Å; I1870-V1872 HydrophobicContact CG2-CG2 4.08Å; V1872-P1874 HydrophobicContact CG1-CG 4.34Å; V1872-L1903 CarbonylContact C-O 3.58Å; V1872-L1903 WeakPolarHBondContact CA-O 3.34Å; V1872-K1904 HydrophobicContact CG2-CB 4.29Å; V1872-K1904 HydrophobicContact CG2-CD 4.42Å; V1872-K1904 HydrophobicContact CG2-CG 4.11Å |
| 1873 | V | 92.4 | Very high | 84.6 | Confident | 16.4 Ų | 16.4 | 46.2 Ų | 46.2 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 99.5 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | M1854 A1857 V1871 H1876 P1902 L1903 | M1854-V1873 HydrophobicContact CG-CG1 3.49Å; M1854-V1873 VanDerWaalsContact CG-CG1 3.46Å; M1854-V1873 HydrophobicContact SD-CB 4.47Å; M1854-V1873 HydrophobicContact SD-CG1 3.63Å; M1854-V1873 VanDerWaalsContact SD-CG1 3.59Å; M1854-V1873 HydrophobicContact SD-CG2 4.07Å; A1857-V1873 HydrophobicContact CB-CG2 4.08Å; V1871-V1873 HydrophobicContact CG1-CG2 4.45Å; V1873-H1876 HydrophobicContact CG1-CB 4.3Å; V1873-H1876 WeakPolarHBondContact CG1-ND1 3.42Å; V1873-P1902 WeakPolarHBondContact O-CA 3.36Å; V1873-L1903 HydrophobicContact CB-CB 4.37Å; V1873-L1903 HydrophobicContact CG2-CD2 4.39Å; V1873-L1903 PolarHBondContact N-O 3.06Å; V1873-L1903 PolarHBondContact O-N 3.09Å |
| 1874 | P | 88 | Confident | 83.1 | Confident | 54.6 Ų | 54.6 | 46.1 Ų | 46.1 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | trans | -73.8 | -41.1 | -172.3 | 18.8 | -21.5 | 0 | 0 | 0 | 113.2 | E1856 V1872 P1902 | E1856-P1874 WeakPolarHBondContact O-CD 3.38Å; E1856-P1874 WeakPolarHBondContact O-CG 3.33Å; V1872-P1874 HydrophobicContact CG1-CG 4.34Å; P1874-P1902 WeakPolarHBondContact O-CA 3.44Å; P1874-P1902 WeakPolarHBondContact O-CB 3.36Å | ||
| 1875 | C | 88.7 | Confident | 81.8 | Confident | 66.6 Ų | 66.6 | 47.2 Ų | 47.2 | 45% | 0.45 | 28% | 0.279 | S | S | . | . | trans | -137.5 | 128.7 | -176.7 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | D1855 | D1855-C1875 HydrophobicContact CB-CB 4.23Å; D1855-C1875 PolarHBondContact N-O 3.21Å; D1855-C1875 VanDerWaalsContact OD2-CB 3.26Å; D1855-C1875 WeakPolarHBondContact OD2-CB 3.25Å | ||
| 1876 | H | 91.9 | Very high | 80.6 | Confident | 30.2 Ų | 30.2 | 48.9 Ų | 48.9 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.3 | 170 | 54.8 | -68.1 | 0 | 0 | 0 | 111.3 | Y1852 R1853 M1854 V1873 F1900 P1901 | Y1852-H1876 HydrophobicContact CE2-CB 4.1Å; Y1852-H1876 AromaticContact CE2-CD2 3.88Å; Y1852-H1876 WeakPolarHBondContact OH-CB 3.45Å; Y1852-H1876 PolarHBondContact OH-CD2 3.03Å; R1853-H1876 CarbonylContact O-C 3.52Å; R1853-H1876 VanDerWaalsContact O-CA 3.22Å; R1853-H1876 WeakPolarHBondContact O-CA 3.27Å; R1853-H1876 WeakPolarHBondContact O-CB 3.4Å; M1854-H1876 HydrophobicContact CB-CB 4.17Å; M1854-H1876 HydrophobicContact CG-CB 4.15Å; V1873-H1876 HydrophobicContact CG1-CB 4.3Å; V1873-H1876 WeakPolarHBondContact CG1-ND1 3.42Å; H1876-F1900 VanDerWaalsContact CD2-CB 3.45Å; H1876-F1900 WeakPolarHBondContact CD2-CB 3.33Å; H1876-F1900 AromaticContact CD2-CD2 3.58Å; H1876-F1900 VanDerWaalsContact CD2-CD2 3.46Å; H1876-F1900 WeakPolarHBondContact CD2-CD2 3.41Å; H1876-F1900 AromaticContact CD2-CG 3.82Å; H1876-F1900 VanDerWaalsContact NE2-CB 3.32Å; H1876-F1900 WeakPolarHBondContact NE2-CB 3.38Å; H1876-F1900 AromaticContact NE2-CG 3.88Å; H1876-F1900 PolarHBondContact O-N 2.94Å; H1876-P1901 PolarHBondContact CE1-O 3.04Å |
| 1877 | N | 88.9 | Confident | 79.2 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163 | 179.2 | 63.1 | 10.2 | 0 | 0 | 0 | 111.4 | Y1852 R1853 Q1897 M1898 | Y1852-N1877 WeakPolarHBondContact CA-O 3.4Å; Y1852-N1877 WeakPolarHBondContact CD2-O 3.33Å; R1853-N1877 VanDerWaalsContact CB-OD1 3.3Å; R1853-N1877 WeakPolarHBondContact CB-OD1 3.24Å; R1853-N1877 PolarHBondContact N-O 3.03Å; R1853-N1877 PolarHBondContact O-N 3.04Å; R1853-N1877 PolarHBondContact O-OD1 2.89Å; N1877-Q1897 PolarHBondContact ND2-NE2 3Å; N1877-M1898 CarbonylContact C-O 3.57Å; N1877-M1898 VanDerWaalsContact CA-O 3.24Å; N1877-M1898 WeakPolarHBondContact CA-O 3.44Å; N1877-M1898 VanDerWaalsContact CB-O 3.29Å; N1877-M1898 WeakPolarHBondContact CB-O 3.28Å |
| 1878 | I | 87.9 | Confident | 77.2 | Confident | 28.4 Ų | 28.4 | 53.8 Ų | 53.8 | 15% | 0.146 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.3 | 170.2 | -171.8 | 163.9 | 0 | 0 | 0 | 109.6 | A1850 S1851 F1880 Q1897 M1898 F1900 | A1850-I1878 HydrophobicContact CB-CD1 4.49Å; S1851-I1878 CarbonylContact O-C 3.5Å; S1851-I1878 WeakPolarHBondContact O-CA 3.42Å; I1878-F1880 HydrophobicContact CB-CE2 4.45Å; I1878-F1880 HydrophobicContact CD1-CE1 4.25Å; I1878-F1880 HydrophobicContact CD1-CE2 3.79Å; I1878-F1880 HydrophobicContact CD1-CZ 3.54Å; I1878-F1880 HydrophobicContact CG1-CD2 4.3Å; I1878-F1880 HydrophobicContact CG1-CE2 3.83Å; I1878-F1880 HydrophobicContact CG1-CZ 4.06Å; I1878-F1880 HydrophobicContact CG2-CE2 3.95Å; I1878-Q1897 CarbonylContact O-C 3.52Å; I1878-Q1897 WeakPolarHBondContact O-CA 3.41Å; I1878-M1898 HydrophobicContact CG2-CB 4.04Å; I1878-M1898 HydrophobicContact CG2-CE 4.02Å; I1878-M1898 PolarHBondContact N-O 2.88Å; I1878-M1898 PolarHBondContact O-N 2.98Å; I1878-F1900 HydrophobicContact CB-CE2 3.8Å; I1878-F1900 HydrophobicContact CB-CZ 4.27Å; I1878-F1900 HydrophobicContact CG2-CD2 4.42Å; I1878-F1900 HydrophobicContact CG2-CE2 3.54Å; I1878-F1900 VanDerWaalsContact CG2-CE2 3.44Å; I1878-F1900 HydrophobicContact CG2-CZ 3.57Å |
| 1879 | T | 86.1 | Confident | 74.6 | Confident | 31 Ų | 31 | 54 Ų | 54 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.7 | 171.1 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | A1850 S1851 I1896 Q1897 | A1850-T1879 CarbonylContact C-O 3.49Å; A1850-T1879 WeakPolarHBondContact CA-O 3.36Å; S1851-T1879 VanDerWaalsContact CB-OG1 3.3Å; S1851-T1879 WeakPolarHBondContact CB-OG1 3.29Å; S1851-T1879 PolarHBondContact N-O 3.02Å; S1851-T1879 PolarHBondContact O-N 3.05Å; S1851-T1879 PolarHBondContact O-OG1 3.21Å; S1851-T1879 VanDerWaalsContact O-OG1 3.11Å; S1851-T1879 PolarHBondContact OG-OG1 3.16Å; S1851-T1879 VanDerWaalsContact OG-OG1 3.05Å; T1879-I1896 CarbonylContact C-O 3.49Å; T1879-I1896 VanDerWaalsContact CA-O 3.23Å; T1879-I1896 WeakPolarHBondContact CA-O 3.3Å; T1879-Q1897 HydrophobicContact CG2-CB 3.89Å; T1879-Q1897 HydrophobicContact CG2-CG 3.75Å |
| 1880 | F | 81.6 | Confident | 72.2 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.7 | 172.2 | -68.2 | -87.9 | 0 | 0 | 0 | 108.5 | L1844 L1848 A1850 I1878 F1895 I1896 M1898 I1956 | L1844-F1880 HydrophobicContact CD1-CD1 4.41Å; L1844-F1880 HydrophobicContact CD1-CE1 3.91Å; L1848-F1880 HydrophobicContact CD1-CB 4.25Å; L1848-F1880 HydrophobicContact CD1-CD1 4.31Å; L1848-F1880 HydrophobicContact CD2-CD1 4.32Å; L1848-F1880 HydrophobicContact CG-CD1 4.43Å; A1850-F1880 HydrophobicContact CB-CD1 4.02Å; A1850-F1880 HydrophobicContact CB-CE1 4.01Å; I1878-F1880 HydrophobicContact CB-CE2 4.45Å; I1878-F1880 HydrophobicContact CD1-CE1 4.25Å; I1878-F1880 HydrophobicContact CD1-CE2 3.79Å; I1878-F1880 HydrophobicContact CD1-CZ 3.54Å; I1878-F1880 HydrophobicContact CG1-CD2 4.3Å; I1878-F1880 HydrophobicContact CG1-CE2 3.83Å; I1878-F1880 HydrophobicContact CG1-CZ 4.06Å; I1878-F1880 HydrophobicContact CG2-CE2 3.95Å; F1880-F1895 CarbonylContact O-C 3.56Å; F1880-F1895 WeakPolarHBondContact O-CA 3.37Å; F1880-F1895 WeakPolarHBondContact O-CB 3.43Å; F1880-I1896 HydrophobicContact CB-CB 4.46Å; F1880-I1896 PolarHBondContact N-O 2.99Å; F1880-I1896 PolarHBondContact O-N 2.94Å; F1880-M1898 HydrophobicContact CD2-CE 4.26Å; F1880-M1898 HydrophobicContact CE2-CE 3.66Å; F1880-I1956 HydrophobicContact CB-CD1 3.96Å; F1880-I1956 HydrophobicContact CD1-CD1 4.4Å; F1880-I1956 HydrophobicContact CG-CD1 4.16Å |
| 1881 | D | 79.1 | Confident | 69.8 | Low | 60.6 Ų | 60.6 | 56.2 Ų | 56.2 | 32% | 0.324 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.5 | 179.5 | 169.5 | 35.5 | 0 | 0 | 0 | 109.7 | K1849 K1883 | K1849-D1881 HydrophobicContact CB-CB 4.47Å; K1849-D1881 PolarHBondContact N-O 3.1Å; K1849-D1881 PolarHBondContact O-N 3.07Å; D1881-K1883 VanDerWaalsContact OD2-CE 3.25Å; D1881-K1883 WeakPolarHBondContact OD2-CE 3.46Å |
| 1882 | V | 72.2 | Confident | 67.7 | Low | 15.4 Ų | 15.4 | 58.4 Ų | 58.4 | 9% | 0.093 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.2 | -174.7 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | S1847 L1848 G1884 L1885 P1894 F1955 I1956 | S1847-V1882 CarbonylContact O-C 3.57Å; S1847-V1882 VanDerWaalsContact O-CA 3.3Å; S1847-V1882 WeakPolarHBondContact O-CA 3.32Å; S1847-V1882 WeakPolarHBondContact O-CG1 3.42Å; L1848-V1882 HydrophobicContact CD1-CG2 3.88Å; V1882-G1884 VanDerWaalsContact C-N 3.27Å; V1882-G1884 PolarHBondContact O-N 3.1Å; V1882-L1885 HydrophobicContact CB-CD1 3.94Å; V1882-L1885 HydrophobicContact CB-CD2 4.33Å; V1882-L1885 HydrophobicContact CG1-CD1 3.52Å; V1882-L1885 VanDerWaalsContact CG1-CD1 3.47Å; V1882-L1885 PolarHBondContact O-N 2.85Å; V1882-P1894 PolarHBondContact N-O 3.14Å; V1882-P1894 VanDerWaalsContact N-O 3.08Å; V1882-F1955 HydrophobicContact CG1-CD1 4.48Å; V1882-F1955 HydrophobicContact CG1-CE1 3.96Å; V1882-I1956 HydrophobicContact CG2-CD1 4.22Å; V1882-I1956 HydrophobicContact CG2-CG1 4.29Å |
| 1883 | K | 63.8 | Low | 65.7 | Low | 132 Ų | 132 | 58.9 Ų | 58.9 | 57% | 0.574 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 77.5 | 179.2 | -69 | -173.8 | 175.7 | -177.1 | 0 | 111.5 | S1847 D1881 | S1847-K1883 PolarHBondContact O-N 2.99Å; D1881-K1883 VanDerWaalsContact OD2-CE 3.25Å; D1881-K1883 WeakPolarHBondContact OD2-CE 3.46Å |
| 1884 | G | 53.8 | Low | 64.2 | Low | 45.2 Ų | 45.2 | 60.7 Ų | 60.7 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -176.7 | -30.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1882 A1886 A1887 S1888 | V1882-G1884 VanDerWaalsContact C-N 3.27Å; V1882-G1884 PolarHBondContact O-N 3.1Å; G1884-A1886 VanDerWaalsContact C-N 3.29Å; G1884-A1886 PolarHBondContact O-N 3Å; G1884-A1887 PolarHBondContact O-N 2.98Å; G1884-S1888 PolarHBondContact O-OG 2.78Å |
| 1885 | L | 49.8 | Very low | 63.2 | Low | 40.4 Ų | 40.4 | 63.3 Ų | 63.3 | 21% | 0.212 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -72.8 | -21 | -173.6 | -83.1 | 81.3 | 0 | 0 | 0 | 114.6 | V1882 A1887 S1888 C1891 P1894 F1955 | V1882-L1885 HydrophobicContact CB-CD1 3.94Å; V1882-L1885 HydrophobicContact CB-CD2 4.33Å; V1882-L1885 HydrophobicContact CG1-CD1 3.52Å; V1882-L1885 VanDerWaalsContact CG1-CD1 3.47Å; V1882-L1885 PolarHBondContact O-N 2.85Å; L1885-A1887 PolarHBondContact O-N 2.87Å; L1885-A1887 VanDerWaalsContact O-N 3.11Å; L1885-S1888 PolarHBondContact O-N 2.93Å; L1885-S1888 VanDerWaalsContact O-O 3.12Å; L1885-C1891 HydrophobicContact CB-CB 4.45Å; L1885-C1891 HydrophobicContact CD2-CB 3.73Å; L1885-C1891 VanDerWaalsContact CD2-CB 3.45Å; L1885-C1891 WeakPolarHBondContact CD2-SG 3.33Å; L1885-C1891 HydrophobicContact CG-CB 3.74Å; L1885-P1894 HydrophobicContact CB-CB 4.39Å; L1885-F1955 HydrophobicContact CD1-CD1 4.2Å; L1885-F1955 HydrophobicContact CD1-CE1 4.09Å; L1885-F1955 HydrophobicContact CD1-CZ 4.33Å |
| 1886 | A | 46.1 | Very low | 62.5 | Low | 104.6 Ų | 104.6 | 60.7 Ų | 60.7 | 86% | 0.864 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -65.6 | -12.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1884 | G1884-A1886 VanDerWaalsContact C-N 3.29Å; G1884-A1886 PolarHBondContact O-N 3Å |
| 1887 | A | 45.3 | Very low | 61.8 | Low | 100.2 Ų | 100.2 | 64.7 Ų | 64.7 | 83% | 0.828 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -112.8 | -12.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1884 L1885 | G1884-A1887 PolarHBondContact O-N 2.98Å; L1885-A1887 PolarHBondContact O-N 2.87Å; L1885-A1887 VanDerWaalsContact O-N 3.11Å |
| 1888 | S | 39.5 | Very low | 61.2 | Low | 84.6 Ų | 84.6 | 65.7 Ų | 65.7 | 59% | 0.592 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -141.1 | 81 | -170.5 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | G1884 L1885 | G1884-S1888 PolarHBondContact O-OG 2.78Å; L1885-S1888 PolarHBondContact O-N 2.93Å; L1885-S1888 VanDerWaalsContact O-O 3.12Å |
| 1889 | A | 36.6 | Very low | 61 | Low | 76.4 Ų | 76.4 | 68.1 Ų | 68.1 | 63% | 0.631 | 43% | 0.433 | S | S | * | . | trans | -158 | 136.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | C1891 | A1889-C1891 VanDerWaalsContact C-N 3.29Å; A1889-C1891 PolarHBondContact O-N 3.04Å | ||
| 1890 | S | 43.9 | Very low | 60.9 | Low | 100.8 Ų | 100.8 | 70.4 Ų | 70.4 | 71% | 0.705 | 44% | 0.441 | S | S | * | . | trans | -34.1 | 36.9 | 167.7 | 118.1 | 0 | 0 | 0 | 0 | 115.9 | R2400 | S1890-R2400 PolarHBondContact OG-NH2 3.29Å; S1890-R2400 VanDerWaalsContact OG-NH2 3.17Å | ||
| 1891 | C | 42.3 | Very low | 61.2 | Low | 61.8 Ų | 61.8 | 69.4 Ų | 69.4 | 42% | 0.418 | 44% | 0.438 | S | S | . | . | trans | -88.2 | 128.7 | 176.1 | -145.5 | 0 | 0 | 0 | 0 | 110.8 | L1885 A1889 A1893 | L1885-C1891 HydrophobicContact CB-CB 4.45Å; L1885-C1891 HydrophobicContact CD2-CB 3.73Å; L1885-C1891 VanDerWaalsContact CD2-CB 3.45Å; L1885-C1891 WeakPolarHBondContact CD2-SG 3.33Å; L1885-C1891 HydrophobicContact CG-CB 3.74Å; A1889-C1891 VanDerWaalsContact C-N 3.29Å; A1889-C1891 PolarHBondContact O-N 3.04Å; C1891-A1893 PolarHBondContact O-N 2.81Å; C1891-A1893 VanDerWaalsContact O-N 3.14Å | ||
| 1892 | V | 49.1 | Very low | 61.7 | Low | 90.2 Ų | 90.2 | 69.9 Ų | 69.9 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -76.3 | -9.5 | -166.5 | 171.5 | 0 | 0 | 0 | 0 | 113.1 | Q1952 Y2407 | V1892-Q1952 PolarHBondContact O-NE2 2.66Å; V1892-Y2407 HydrophobicContact CB-CD2 4.01Å; V1892-Y2407 HydrophobicContact CB-CE2 4.09Å; V1892-Y2407 HydrophobicContact CB-CG 4.24Å; V1892-Y2407 HydrophobicContact CG1-CD1 4.33Å; V1892-Y2407 HydrophobicContact CG1-CD2 3.35Å; V1892-Y2407 VanDerWaalsContact CG1-CD2 3.44Å; V1892-Y2407 HydrophobicContact CG1-CE1 4.44Å; V1892-Y2407 HydrophobicContact CG1-CE2 3.49Å; V1892-Y2407 HydrophobicContact CG1-CG 3.9Å; V1892-Y2407 HydrophobicContact CG2-CD1 3.72Å; V1892-Y2407 VanDerWaalsContact CG2-CD1 3.47Å; V1892-Y2407 HydrophobicContact CG2-CD2 4.04Å; V1892-Y2407 HydrophobicContact CG2-CE1 4.07Å; V1892-Y2407 HydrophobicContact CG2-CE2 3.94Å; V1892-Y2407 HydrophobicContact CG2-CG 3.68Å |
| 1893 | A | 52.5 | Low | 62.6 | Low | 34 Ų | 34 | 71.7 Ų | 71.7 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | trans | -156.5 | 126 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C1891 F1895 | C1891-A1893 PolarHBondContact O-N 2.81Å; C1891-A1893 VanDerWaalsContact O-N 3.14Å; A1893-F1895 HydrophobicContact CB-CD1 4.33Å; A1893-F1895 HydrophobicContact CB-CE1 4.16Å; A1893-F1895 PolarHBondContact O-N 2.86Å; A1893-F1895 VanDerWaalsContact O-N 3.14Å | ||
| 1894 | P | 60.4 | Low | 64 | Low | 54.4 Ų | 54.4 | 69.7 Ų | 69.7 | 35% | 0.353 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -79.7 | 7.1 | 176.8 | 33.7 | -35.4 | 0 | 0 | 0 | 113.3 | V1882 L1885 | V1882-P1894 PolarHBondContact N-O 3.14Å; V1882-P1894 VanDerWaalsContact N-O 3.08Å; L1885-P1894 HydrophobicContact CB-CB 4.39Å |
| 1895 | F | 67.8 | Low | 65.8 | Low | 108.8 Ų | 108.8 | 68.3 Ų | 68.3 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.3 | -178.5 | 67.3 | -85.8 | 0 | 0 | 0 | 113.3 | F1880 A1893 | F1880-F1895 CarbonylContact O-C 3.56Å; F1880-F1895 WeakPolarHBondContact O-CA 3.37Å; F1880-F1895 WeakPolarHBondContact O-CB 3.43Å; A1893-F1895 HydrophobicContact CB-CD1 4.33Å; A1893-F1895 HydrophobicContact CB-CE1 4.16Å; A1893-F1895 PolarHBondContact O-N 2.86Å; A1893-F1895 VanDerWaalsContact O-N 3.14Å |
| 1896 | I | 73.4 | Confident | 67.9 | Low | 12.2 Ų | 12.2 | 71.3 Ų | 71.3 | 6% | 0.063 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.9 | 169.1 | -54.3 | 178.2 | 0 | 0 | 0 | 108.3 | T1879 F1880 M1898 L1949 Q1952 L1953 I1956 | T1879-I1896 CarbonylContact C-O 3.49Å; T1879-I1896 VanDerWaalsContact CA-O 3.23Å; T1879-I1896 WeakPolarHBondContact CA-O 3.3Å; F1880-I1896 HydrophobicContact CB-CB 4.46Å; F1880-I1896 PolarHBondContact N-O 2.99Å; F1880-I1896 PolarHBondContact O-N 2.94Å; I1896-M1898 HydrophobicContact CG2-CG 4.22Å; I1896-L1949 HydrophobicContact CD1-CD1 4.2Å; I1896-L1949 HydrophobicContact CG1-CD1 4.3Å; I1896-L1949 HydrophobicContact CG2-CD1 3.84Å; I1896-Q1952 HydrophobicContact CD1-CB 3.65Å; I1896-Q1952 VanDerWaalsContact CD1-CB 3.49Å; I1896-Q1952 HydrophobicContact CG1-CB 4.19Å; I1896-L1953 HydrophobicContact CD1-CD2 4.1Å; I1896-L1953 HydrophobicContact CD1-CG 4.31Å; I1896-I1956 HydrophobicContact CD1-CD1 3.48Å; I1896-I1956 VanDerWaalsContact CD1-CD1 3.47Å; I1896-I1956 HydrophobicContact CG1-CD1 4.21Å |
| 1897 | Q | 77.5 | Confident | 70.1 | Confident | 114.2 Ų | 114.2 | 66.4 Ų | 66.4 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.4 | 169.3 | -176.5 | 170.6 | -52.1 | 0 | 0 | 110.8 | N1877 I1878 T1879 | N1877-Q1897 PolarHBondContact ND2-NE2 3Å; I1878-Q1897 CarbonylContact O-C 3.52Å; I1878-Q1897 WeakPolarHBondContact O-CA 3.41Å; T1879-Q1897 HydrophobicContact CG2-CB 3.89Å; T1879-Q1897 HydrophobicContact CG2-CG 3.75Å |
| 1898 | M | 77.6 | Confident | 72.2 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.2 | 172.1 | -65 | -173.7 | -69.2 | 0 | 0 | 109.9 | N1877 I1878 F1880 I1896 | N1877-M1898 CarbonylContact C-O 3.57Å; N1877-M1898 VanDerWaalsContact CA-O 3.24Å; N1877-M1898 WeakPolarHBondContact CA-O 3.44Å; N1877-M1898 VanDerWaalsContact CB-O 3.29Å; N1877-M1898 WeakPolarHBondContact CB-O 3.28Å; I1878-M1898 HydrophobicContact CG2-CB 4.04Å; I1878-M1898 HydrophobicContact CG2-CE 4.02Å; I1878-M1898 PolarHBondContact N-O 2.88Å; I1878-M1898 PolarHBondContact O-N 2.98Å; F1880-M1898 HydrophobicContact CD2-CE 4.26Å; F1880-M1898 HydrophobicContact CE2-CE 3.66Å; I1896-M1898 HydrophobicContact CG2-CG 4.22Å |
| 1899 | S | 82.9 | Confident | 74.5 | Confident | 78.6 Ų | 78.6 | 63.1 Ų | 63.1 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 133.7 | 170.2 | 32 | 0 | 0 | 0 | 0 | 110.6 | H1943 | S1899-H1943 PolarHBondContact O-CE1 2.97Å |
| 1900 | F | 84.6 | Confident | 76.6 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 153.2 | 173.4 | -66.7 | -63.9 | 0 | 0 | 0 | 110.7 | Y1852 H1876 I1878 | Y1852-F1900 HydrophobicContact CD2-CE2 4.24Å; Y1852-F1900 HydrophobicContact CE2-CD2 4.41Å; Y1852-F1900 HydrophobicContact CE2-CE2 4.41Å; H1876-F1900 VanDerWaalsContact CD2-CB 3.45Å; H1876-F1900 WeakPolarHBondContact CD2-CB 3.33Å; H1876-F1900 AromaticContact CD2-CD2 3.58Å; H1876-F1900 VanDerWaalsContact CD2-CD2 3.46Å; H1876-F1900 WeakPolarHBondContact CD2-CD2 3.41Å; H1876-F1900 AromaticContact CD2-CG 3.82Å; H1876-F1900 VanDerWaalsContact NE2-CB 3.32Å; H1876-F1900 WeakPolarHBondContact NE2-CB 3.38Å; H1876-F1900 AromaticContact NE2-CG 3.88Å; H1876-F1900 PolarHBondContact O-N 2.94Å; I1878-F1900 HydrophobicContact CB-CE2 3.8Å; I1878-F1900 HydrophobicContact CB-CZ 4.27Å; I1878-F1900 HydrophobicContact CG2-CD2 4.42Å; I1878-F1900 HydrophobicContact CG2-CE2 3.54Å; I1878-F1900 VanDerWaalsContact CG2-CE2 3.44Å; I1878-F1900 HydrophobicContact CG2-CZ 3.57Å |
| 1901 | P | 86.5 | Confident | 78.1 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 158.7 | 178.9 | 23.1 | -28 | 0 | 0 | 0 | 112.3 | H1876 L1903 I1938 G1939 I1941 | H1876-P1901 PolarHBondContact CE1-O 3.04Å; P1901-L1903 PolarHBondContact O-N 2.84Å; P1901-I1938 HydrophobicContact CB-CG2 4.13Å; P1901-I1938 HydrophobicContact CG-CG2 3.56Å; P1901-I1938 VanDerWaalsContact CG-CG2 3.43Å; P1901-G1939 VanDerWaalsContact CB-C 3.43Å; P1901-G1939 VanDerWaalsContact CB-O 3.29Å; P1901-G1939 WeakPolarHBondContact CB-O 3.3Å; P1901-I1941 HydrophobicContact CB-CG1 4.28Å; P1901-I1941 HydrophobicContact CG-CB 4.29Å; P1901-I1941 HydrophobicContact CG-CD1 4.29Å; P1901-I1941 HydrophobicContact CG-CG1 3.59Å |
| 1902 | P | 89.4 | Confident | 79 | Confident | 69.6 Ų | 69.6 | 61.1 Ų | 61.1 | 45% | 0.452 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -58 | 140.6 | 169.5 | 24.3 | -33.7 | 0 | 0 | 0 | 111.2 | V1873 P1874 G1939 | V1873-P1902 WeakPolarHBondContact O-CA 3.36Å; P1874-P1902 WeakPolarHBondContact O-CA 3.44Å; P1874-P1902 WeakPolarHBondContact O-CB 3.36Å; P1902-G1939 PolarHBondContact O-N 3.07Å |
| 1903 | L | 91.3 | Very high | 79.4 | Confident | 53.4 Ų | 53.4 | 65.6 Ų | 65.6 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.2 | 178.1 | 176.7 | 119.2 | 0 | 0 | 0 | 110.1 | V1872 V1873 P1901 A1905 A1936 I1938 | V1872-L1903 CarbonylContact C-O 3.58Å; V1872-L1903 WeakPolarHBondContact CA-O 3.34Å; V1873-L1903 HydrophobicContact CB-CB 4.37Å; V1873-L1903 HydrophobicContact CG2-CD2 4.39Å; V1873-L1903 PolarHBondContact N-O 3.06Å; V1873-L1903 PolarHBondContact O-N 3.09Å; P1901-L1903 PolarHBondContact O-N 2.84Å; L1903-A1905 HydrophobicContact CD2-CB 4.33Å; L1903-A1936 HydrophobicContact CD1-CB 4.49Å; L1903-I1938 HydrophobicContact CD1-CD1 4.49Å; L1903-I1938 HydrophobicContact CD1-CG1 4.01Å |
| 1904 | K | 92.7 | Very high | 79.3 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 107.7 | 174.1 | 166.9 | 169.3 | 164.5 | -115.3 | 0 | 109.6 | V1871 V1872 A1936 E1937 | V1871-K1904 CarbonylContact O-C 3.52Å; V1871-K1904 WeakPolarHBondContact O-CA 3.41Å; V1872-K1904 HydrophobicContact CG2-CB 4.29Å; V1872-K1904 HydrophobicContact CG2-CD 4.42Å; V1872-K1904 HydrophobicContact CG2-CG 4.11Å; K1904-A1936 CarbonylContact O-C 3.58Å; K1904-A1936 WeakPolarHBondContact O-CA 3.29Å; K1904-E1937 HydrophobicContact CB-CB 4.31Å; K1904-E1937 WeakPolarHBondContact CD-OE2 3.43Å; K1904-E1937 WeakPolarHBondContact CE-OE2 3.37Å; K1904-E1937 PolarHBondContact N-O 3.1Å; K1904-E1937 VanDerWaalsContact NZ-CD 3.31Å; K1904-E1937 IonicContact NZ-OE1 3.07Å; K1904-E1937 PolarHBondContact NZ-OE1 2.95Å; K1904-E1937 VanDerWaalsContact NZ-OE1 3.14Å; K1904-E1937 IonicContact NZ-OE2 3.43Å; K1904-E1937 PolarHBondContact NZ-OE2 2.96Å; K1904-E1937 VanDerWaalsContact NZ-OE2 3.14Å; K1904-E1937 PolarHBondContact O-N 3.01Å |
| 1905 | A | 93.2 | Very high | 78.6 | Confident | 14.4 Ų | 14.4 | 75.8 Ų | 75.8 | 12% | 0.119 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1870 V1871 L1903 I1934 D1935 A1936 | I1870-A1905 CarbonylContact C-O 3.54Å; I1870-A1905 VanDerWaalsContact CA-O 3.31Å; I1870-A1905 WeakPolarHBondContact CA-O 3.33Å; V1871-A1905 HydrophobicContact CB-CB 4.45Å; V1871-A1905 PolarHBondContact N-O 3.05Å; V1871-A1905 PolarHBondContact O-N 2.92Å; L1903-A1905 HydrophobicContact CD2-CB 4.33Å; A1905-I1934 HydrophobicContact CB-CG2 4.44Å; A1905-D1935 CarbonylContact C-O 3.56Å; A1905-D1935 WeakPolarHBondContact CA-O 3.4Å; A1905-A1936 HydrophobicContact CB-CB 4.23Å |
| 1906 | K | 93.4 | Very high | 77.7 | Confident | 104.6 Ų | 104.6 | 77.8 Ų | 77.8 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.4 | 172.4 | -166.1 | -179.9 | 179.4 | -179.5 | 0 | 108.6 | F1869 I1870 I1934 D1935 E1937 | F1869-K1906 CarbonylContact O-C 3.52Å; F1869-K1906 VanDerWaalsContact O-CA 3.31Å; F1869-K1906 WeakPolarHBondContact O-CA 3.35Å; I1870-K1906 HydrophobicContact CG1-CB 4.45Å; I1870-K1906 HydrophobicContact CG1-CD 4.43Å; I1870-K1906 HydrophobicContact CG1-CG 4.18Å; K1906-I1934 CarbonylContact O-C 3.53Å; K1906-I1934 VanDerWaalsContact O-CA 3.3Å; K1906-I1934 WeakPolarHBondContact O-CA 3.33Å; K1906-D1935 PolarHBondContact N-O 2.97Å; K1906-D1935 PolarHBondContact O-N 2.86Å; K1906-E1937 IonicContact NZ-OE1 2.73Å; K1906-E1937 PolarHBondContact NZ-OE1 2.8Å |
| 1907 | G | 91.3 | Very high | 76.4 | Confident | 0.2 Ų | 0.2 | 83.1 Ų | 83.1 | 0% | 0.002 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1868 F1869 N1933 | N1868-G1907 CarbonylContact C-O 3.54Å; N1868-G1907 VanDerWaalsContact CA-O 3.29Å; N1868-G1907 WeakPolarHBondContact CA-O 3.3Å; N1868-G1907 PolarHBondContact OD1-O 2.92Å; F1869-G1907 WeakPolarHBondContact CD1-O 3.31Å; F1869-G1907 PolarHBondContact N-O 3.07Å; F1869-G1907 PolarHBondContact O-N 3.03Å; G1907-N1933 CarbonylContact C-O 3.55Å; G1907-N1933 VanDerWaalsContact CA-O 3.25Å; G1907-N1933 WeakPolarHBondContact CA-O 3.31Å |
| 1908 | C | 91 | Very high | 75.1 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.1 | 171.9 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | A1867 N1868 N1933 | A1867-C1908 CarbonylContact O-C 3.49Å; A1867-C1908 VanDerWaalsContact O-CA 3.28Å; A1867-C1908 WeakPolarHBondContact O-CA 3.36Å; N1868-C1908 HydrophobicContact CB-CB 4.47Å; C1908-N1933 PolarHBondContact N-O 2.9Å; C1908-N1933 PolarHBondContact O-N 2.99Å |
| 1909 | Y | 86 | Confident | 73.4 | Confident | 81.2 Ų | 81.2 | 86 Ų | 86 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.4 | 175.1 | -177 | -108.3 | 0 | 0 | 0 | 110.1 | S1865 A1867 Q1911 Y1931 | S1865-Y1909 WeakPolarHBondContact O-CD1 3.32Å; A1867-Y1909 PolarHBondContact O-N 2.97Å; Y1909-Q1911 HydrophobicContact CD1-CG 4.15Å; Y1909-Q1911 HydrophobicContact CE1-CG 3.69Å; Y1909-Y1931 WeakPolarHBondContact CA-O 3.3Å; Y1909-Y1931 WeakPolarHBondContact CD2-O 3.33Å |
| 1910 | I | 82.2 | Confident | 71.6 | Confident | 40.2 Ų | 40.2 | 86.3 Ų | 86.3 | 21% | 0.206 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.7 | -176.7 | -62.3 | 171.3 | 0 | 0 | 0 | 108.2 | A1912 E1914 G1930 Y1931 N1933 | I1910-A1912 PolarHBondContact O-N 3.28Å; I1910-E1914 HydrophobicContact CG2-CB 4.32Å; I1910-G1930 CarbonylContact O-C 3.55Å; I1910-G1930 WeakPolarHBondContact O-CA 3.31Å; I1910-Y1931 HydrophobicContact CB-CD1 4.17Å; I1910-Y1931 HydrophobicContact CB-CE1 3.74Å; I1910-Y1931 HydrophobicContact CB-CE2 4.47Å; I1910-Y1931 HydrophobicContact CD1-CE1 4.32Å; I1910-Y1931 HydrophobicContact CD1-CE2 4.01Å; I1910-Y1931 VanDerWaalsContact CD1-OH 3.31Å; I1910-Y1931 WeakPolarHBondContact CD1-OH 3.22Å; I1910-Y1931 HydrophobicContact CG2-CD1 4.4Å; I1910-Y1931 HydrophobicContact CG2-CE1 3.67Å; I1910-Y1931 PolarHBondContact N-O 2.96Å; I1910-Y1931 PolarHBondContact O-N 2.87Å; I1910-N1933 HydrophobicContact CD1-CB 4.04Å |
| 1911 | Q | 73.9 | Confident | 69.7 | Low | 100 Ų | 100 | 86.5 Ų | 86.5 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | trans | -79.3 | 139 | 171.8 | -67.8 | -169.6 | -1.5 | 0 | 0 | 110.4 | S1865 Y1909 H1913 E1914 | S1865-Q1911 PolarHBondContact O-NE2 2.95Å; Y1909-Q1911 HydrophobicContact CD1-CG 4.15Å; Y1909-Q1911 HydrophobicContact CE1-CG 3.69Å; Q1911-H1913 VanDerWaalsContact C-N 3.33Å; Q1911-H1913 PolarHBondContact O-N 3.09Å; Q1911-E1914 PolarHBondContact O-N 3.01Å | ||
| 1912 | A | 62.9 | Low | 67.8 | Low | 56.6 Ų | 56.6 | 92.8 Ų | 92.8 | 47% | 0.468 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 39.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1910 G1929 | I1910-A1912 PolarHBondContact O-N 3.28Å; A1912-G1929 WeakPolarHBondContact CB-O 3.46Å |
| 1913 | H | 57.2 | Low | 66.2 | Low | 183.6 Ų | 183.6 | 92.4 Ų | 92.4 | 85% | 0.85 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -11.8 | 173.4 | -98.2 | -70 | 0 | 0 | 0 | 114.1 | Q1911 | Q1911-H1913 VanDerWaalsContact C-N 3.33Å; Q1911-H1913 PolarHBondContact O-N 3.09Å |
| 1914 | E | 49.6 | Very low | 64.5 | Low | 159.2 Ų | 159.2 | 91.9 Ų | 91.9 | 74% | 0.744 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -119.9 | 107.6 | 177.2 | -64.5 | -175.3 | 144.5 | 0 | 0 | 110.7 | I1910 Q1911 Q1916 | I1910-E1914 HydrophobicContact CG2-CB 4.32Å; Q1911-E1914 PolarHBondContact O-N 3.01Å; E1914-Q1916 PolarHBondContact O-N 3.07Å |
| 1915 | E | 45.7 | Very low | 62.9 | Low | 144.8 Ų | 144.8 | 91.3 Ų | 91.3 | 68% | 0.677 | 50% | 0.497 | S | S | * | . | trans | -84.2 | 104 | 177.8 | -69.1 | -172.7 | 158.8 | 0 | 0 | 110.7 | P1917 K1928 | E1915-P1917 WeakPolarHBondContact O-CD 3.34Å; E1915-K1928 WeakPolarHBondContact OE1-CG 3.39Å; E1915-K1928 IonicContact OE1-NZ 2.86Å; E1915-K1928 PolarHBondContact OE1-NZ 2.82Å; E1915-K1928 IonicContact OE2-NZ 2.61Å; E1915-K1928 PolarHBondContact OE2-NZ 3.24Å | ||
| 1916 | Q | 50 | Low | 61.7 | Low | 150.8 Ų | 150.8 | 93.3 Ų | 93.3 | 71% | 0.705 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 129.8 | 164.7 | -74.8 | -172.6 | -8.6 | 0 | 0 | 110.4 | E1914 F1918 | E1914-Q1916 PolarHBondContact O-N 3.07Å; Q1916-F1918 PolarHBondContact O-N 2.93Å |
| 1917 | P | 45.3 | Very low | 60.4 | Low | 123 Ų | 123 | 90.4 Ų | 90.4 | 80% | 0.799 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -75 | 117.4 | 177.9 | 29.1 | -32.8 | 0 | 0 | 0 | 111.1 | E1915 P1919 | E1915-P1917 WeakPolarHBondContact O-CD 3.34Å; P1917-P1919 WeakPolarHBondContact O-CD 3.35Å |
| 1918 | F | 50.3 | Low | 59.2 | Low | 98.2 Ų | 98.2 | 98.6 Ų | 98.6 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 123.5 | 169.5 | -98.9 | -96.2 | 0 | 0 | 0 | 110.2 | Q1916 T1920 H2021 | Q1916-F1918 PolarHBondContact O-N 2.93Å; F1918-T1920 PolarHBondContact O-N 2.92Å; F1918-T1920 VanDerWaalsContact O-N 3.09Å; F1918-T1920 PolarHBondContact O-OG1 2.91Å; F1918-H2021 AromaticContact CE1-CE1 3.68Å; F1918-H2021 AromaticContact CE1-NE2 3.61Å; F1918-H2021 AromaticContact CZ-CE1 3.85Å; F1918-H2021 AromaticContact CZ-NE2 3.57Å |
| 1919 | P | 41.7 | Very low | 58.3 | Low | 126.6 Ų | 126.6 | 98 Ų | 98 | 82% | 0.822 | 53% | 0.53 | S | S | * | . | trans | -83.2 | 84.1 | 178.4 | 33.1 | -33.2 | 0 | 0 | 0 | 110.6 | P1917 | P1917-P1919 WeakPolarHBondContact O-CD 3.35Š| ||
| 1920 | T | 44.4 | Very low | 58 | Low | 84 Ų | 84 | 95.2 Ų | 95.2 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | trans | -141.4 | 148.7 | 175.3 | -0.6 | 0 | 0 | 0 | 0 | 112.4 | F1918 L1924 | F1918-T1920 PolarHBondContact O-N 2.92Å; F1918-T1920 VanDerWaalsContact O-N 3.09Å; F1918-T1920 PolarHBondContact O-OG1 2.91Å; T1920-L1924 HydrophobicContact CG2-CD1 3.69Å | ||
| 1921 | S | 45.8 | Very low | 58 | Low | 83.2 Ų | 83.2 | 94 Ų | 94 | 58% | 0.582 | 52% | 0.519 | S | S | * | . | trans | -49.3 | 151.1 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | S1923 L1924 | S1921-S1923 PolarHBondContact O-N 3.07Å; S1921-L1924 PolarHBondContact O-N 2.81Å | ||
| 1922 | T | 46.6 | Very low | 58.7 | Low | 148.6 Ų | 148.6 | 91.3 Ų | 91.3 | 91% | 0.912 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 28.8 | -172.1 | 50.6 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1923 | S | 55.3 | Low | 60 | Low | 60 Ų | 60 | 89.9 Ų | 89.9 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.6 | -7.6 | -179.3 | 67.4 | 0 | 0 | 0 | 0 | 117.1 | S1921 H2028 | S1921-S1923 PolarHBondContact O-N 3.07Å; S1923-H2028 PolarHBondContact O-CE1 2.94Å; S1923-H2028 PolarHBondContact O-ND1 3.47Å; S1923-H2028 PolarHBondContact OG-CE1 2.84Å; S1923-H2028 VanDerWaalsContact OG-CE1 3.24Å |
| 1924 | L | 56.9 | Low | 61.6 | Low | 44.6 Ų | 44.6 | 82.8 Ų | 82.8 | 23% | 0.234 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.8 | -175.6 | -66.3 | 169.6 | 0 | 0 | 0 | 113.1 | T1920 S1921 L2026 H2028 | T1920-L1924 HydrophobicContact CG2-CD1 3.69Å; S1921-L1924 PolarHBondContact O-N 2.81Å; L1924-L2026 HydrophobicContact CB-CD2 4.32Å; L1924-L2026 HydrophobicContact CD1-CD2 4.46Å; L1924-H2028 WeakPolarHBondContact CD2-ND1 3.47Å |
| 1925 | V | 58.8 | Low | 63.7 | Low | 77.2 Ų | 77.2 | 78.5 Ų | 78.5 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.9 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | L2027 R2029 | V1925-L2027 PolarHBondContact N-O 2.96Å; V1925-L2027 PolarHBondContact O-N 3.19Å; V1925-L2027 VanDerWaalsContact O-O 3.12Å; V1925-R2029 HydrophobicContact CG2-CB 4.46Å; V1925-R2029 HydrophobicContact CG2-CG 4.45Å |
| 1926 | V | 66.7 | Low | 66 | Low | 56.2 Ų | 56.2 | 71.8 Ų | 71.8 | 34% | 0.341 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.3 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | K1928 R2025 L2026 | V1926-K1928 PolarHBondContact O-N 3.01Å; V1926-R2025 HydrophobicContact CG1-CB 4.39Å; V1926-R2025 VanDerWaalsContact CG1-NH2 3.32Å; V1926-L2026 HydrophobicContact CG2-CD2 4.02Å |
| 1927 | K | 67.6 | Low | 68 | Low | 43.6 Ų | 43.6 | 68.2 Ų | 68.2 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 126.6 | 172.3 | -107.7 | -177.9 | 179.6 | 175.1 | 0 | 110.4 | L1989 R2025 L2027 D2033 | K1927-L1989 HydrophobicContact CB-CD1 4.49Å; K1927-L1989 HydrophobicContact CD-CD2 4.16Å; K1927-R2025 WeakPolarHBondContact CB-O 3.48Å; K1927-R2025 PolarHBondContact N-O 3.04Å; K1927-R2025 PolarHBondContact O-NH2 3.42Å; K1927-L2027 HydrophobicContact CB-CD1 4.12Å; K1927-L2027 HydrophobicContact CD-CD1 4.07Å; K1927-L2027 HydrophobicContact CD-CG 4.43Å; K1927-L2027 HydrophobicContact CG-CD1 4.21Å; K1927-L2027 HydrophobicContact CG-CG 4.1Å; K1927-D2033 WeakPolarHBondContact CE-OD1 3.32Å; K1927-D2033 IonicContact NZ-OD1 3.21Å; K1927-D2033 PolarHBondContact NZ-OD1 3.1Å |
| 1928 | K | 65.7 | Low | 70.2 | Confident | 172 Ų | 172 | 63.9 Ų | 63.9 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 130.2 | 177.5 | -62.8 | -164.3 | 171.8 | -141.7 | 0 | 110.6 | E1915 V1926 | E1915-K1928 WeakPolarHBondContact OE1-CG 3.39Å; E1915-K1928 IonicContact OE1-NZ 2.86Å; E1915-K1928 PolarHBondContact OE1-NZ 2.82Å; E1915-K1928 IonicContact OE2-NZ 2.61Å; E1915-K1928 PolarHBondContact OE2-NZ 3.24Å; V1926-K1928 PolarHBondContact O-N 3.01Å |
| 1929 | G | 72.5 | Confident | 72 | Confident | 23.8 Ų | 23.8 | 59.6 Ų | 59.6 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 156.8 | 159.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1912 | A1912-G1929 WeakPolarHBondContact CB-O 3.46Š|
| 1930 | G | 77.8 | Confident | 74.1 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | trans | -70.9 | 139.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1910 | I1910-G1930 CarbonylContact O-C 3.55Å; I1910-G1930 WeakPolarHBondContact O-CA 3.31Å | ||
| 1931 | Y | 84.1 | Confident | 76.1 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 6% | 0.059 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 156.6 | -169.9 | 69.6 | -79.8 | 0 | 0 | 0 | 112.7 | Y1909 I1910 N1933 L1989 R2025 | Y1909-Y1931 WeakPolarHBondContact CA-O 3.3Å; Y1909-Y1931 WeakPolarHBondContact CD2-O 3.33Å; I1910-Y1931 HydrophobicContact CB-CD1 4.17Å; I1910-Y1931 HydrophobicContact CB-CE1 3.74Å; I1910-Y1931 HydrophobicContact CB-CE2 4.47Å; I1910-Y1931 HydrophobicContact CD1-CE1 4.32Å; I1910-Y1931 HydrophobicContact CD1-CE2 4.01Å; I1910-Y1931 VanDerWaalsContact CD1-OH 3.31Å; I1910-Y1931 WeakPolarHBondContact CD1-OH 3.22Å; I1910-Y1931 HydrophobicContact CG2-CD1 4.4Å; I1910-Y1931 HydrophobicContact CG2-CE1 3.67Å; I1910-Y1931 PolarHBondContact N-O 2.96Å; I1910-Y1931 PolarHBondContact O-N 2.87Å; Y1931-N1933 HydrophobicContact CD2-CB 4.41Å; Y1931-N1933 HydrophobicContact CE2-CB 3.99Å; Y1931-L1989 CarbonylContact C-O 3.54Å; Y1931-L1989 VanDerWaalsContact CA-O 3.23Å; Y1931-L1989 WeakPolarHBondContact CA-O 3.4Å; Y1931-L1989 WeakPolarHBondContact CB-O 3.41Å; Y1931-R2025 VanDerWaalsContact CD1-CZ 3.45Å; Y1931-R2025 VanDerWaalsContact CE1-CZ 3.41Å; Y1931-R2025 VanDerWaalsContact CE1-NH2 3.35Å; Y1931-R2025 VanDerWaalsContact CE2-NH1 3.3Å; Y1931-R2025 VanDerWaalsContact CG-CD 3.49Å; Y1931-R2025 PolarHBondContact OH-NH1 3.1Å; Y1931-R2025 VanDerWaalsContact OH-NH1 3.16Å |
| 1932 | L | 86.6 | Confident | 77.9 | Confident | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.7 | 174.8 | -174.8 | 63 | 0 | 0 | 0 | 109.7 | F1869 I1934 I1988 L1989 Y1990 S1991 | F1869-L1932 HydrophobicContact CE1-CD1 4.14Å; F1869-L1932 HydrophobicContact CZ-CD1 4.49Å; L1932-I1934 HydrophobicContact CD1-CG1 4.39Å; L1932-I1934 HydrophobicContact CD2-CD1 3.86Å; L1932-I1934 HydrophobicContact CD2-CG1 4.3Å; L1932-I1934 HydrophobicContact CG-CD1 4.1Å; L1932-I1934 HydrophobicContact CG-CG1 3.98Å; L1932-I1988 HydrophobicContact CB-CG2 4.46Å; L1932-L1989 PolarHBondContact N-O 3.08Å; L1932-Y1990 CarbonylContact O-C 3.54Å; L1932-Y1990 VanDerWaalsContact O-CA 3.23Å; L1932-Y1990 WeakPolarHBondContact O-CA 3.29Å; L1932-S1991 PolarHBondContact O-N 3.09Å |
| 1933 | N | 90.4 | Very high | 79.4 | Confident | 26.4 Ų | 26.4 | 52.7 Ų | 52.7 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.3 | 170.8 | -168.4 | 65.2 | 0 | 0 | 0 | 109.3 | G1907 C1908 I1910 Y1931 D1935 S1991 | G1907-N1933 CarbonylContact C-O 3.55Å; G1907-N1933 VanDerWaalsContact CA-O 3.25Å; G1907-N1933 WeakPolarHBondContact CA-O 3.31Å; C1908-N1933 PolarHBondContact N-O 2.9Å; C1908-N1933 PolarHBondContact O-N 2.99Å; I1910-N1933 HydrophobicContact CD1-CB 4.04Å; Y1931-N1933 HydrophobicContact CD2-CB 4.41Å; Y1931-N1933 HydrophobicContact CE2-CB 3.99Å; N1933-D1935 VanDerWaalsContact ND2-CG 3.31Å; N1933-D1935 PolarHBondContact ND2-OD1 2.89Å; N1933-D1935 VanDerWaalsContact ND2-OD1 3.15Å; N1933-D1935 PolarHBondContact ND2-OD2 2.97Å; N1933-D1935 VanDerWaalsContact ND2-OD2 3.15Å; N1933-S1991 CarbonylContact C-O 3.58Å; N1933-S1991 WeakPolarHBondContact CA-O 3.4Å; N1933-S1991 VanDerWaalsContact OD1-CB 3.27Å; N1933-S1991 WeakPolarHBondContact OD1-CB 3.41Å; N1933-S1991 PolarHBondContact OD1-O 2.87Å |
| 1934 | I | 92.4 | Very high | 80.6 | Confident | 35.4 Ų | 35.4 | 53.7 Ų | 53.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.6 | 175.4 | -55.5 | 177.5 | 0 | 0 | 0 | 109.2 | F1869 A1905 K1906 L1932 S1991 L1992 T1993 | F1869-I1934 HydrophobicContact CZ-CD1 4.23Å; F1869-I1934 HydrophobicContact CZ-CG1 4.33Å; A1905-I1934 HydrophobicContact CB-CG2 4.44Å; K1906-I1934 CarbonylContact O-C 3.53Å; K1906-I1934 VanDerWaalsContact O-CA 3.3Å; K1906-I1934 WeakPolarHBondContact O-CA 3.33Å; L1932-I1934 HydrophobicContact CD1-CG1 4.39Å; L1932-I1934 HydrophobicContact CD2-CD1 3.86Å; L1932-I1934 HydrophobicContact CD2-CG1 4.3Å; L1932-I1934 HydrophobicContact CG-CD1 4.1Å; L1932-I1934 HydrophobicContact CG-CG1 3.98Å; I1934-S1991 PolarHBondContact N-O 3.02Å; I1934-L1992 HydrophobicContact CB-CD2 3.77Å; I1934-L1992 HydrophobicContact CD1-CD2 3.79Å; I1934-L1992 HydrophobicContact CG1-CD2 3.86Å; I1934-L1992 HydrophobicContact CG2-CD2 4.03Å; I1934-L1992 CarbonylContact O-C 3.53Å; I1934-L1992 WeakPolarHBondContact O-CA 3.4Å; I1934-T1993 PolarHBondContact O-N 3.08Å |
| 1935 | D | 93.7 | Very high | 81.7 | Confident | 67.2 Ų | 67.2 | 53.8 Ų | 53.8 | 36% | 0.359 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.9 | 173.1 | -56.9 | -50.4 | 0 | 0 | 0 | 108.9 | A1905 K1906 N1933 T1993 | A1905-D1935 CarbonylContact C-O 3.56Å; A1905-D1935 WeakPolarHBondContact CA-O 3.4Å; K1906-D1935 PolarHBondContact N-O 2.97Å; K1906-D1935 PolarHBondContact O-N 2.86Å; N1933-D1935 VanDerWaalsContact ND2-CG 3.31Å; N1933-D1935 PolarHBondContact ND2-OD1 2.89Å; N1933-D1935 VanDerWaalsContact ND2-OD1 3.15Å; N1933-D1935 PolarHBondContact ND2-OD2 2.97Å; N1933-D1935 VanDerWaalsContact ND2-OD2 3.15Å; D1935-T1993 CarbonylContact C-O 3.56Å; D1935-T1993 WeakPolarHBondContact CA-O 3.36Å; D1935-T1993 VanDerWaalsContact OD1-CB 3.28Å; D1935-T1993 WeakPolarHBondContact OD1-CB 3.34Å; D1935-T1993 PolarHBondContact OD1-OG1 3.08Å |
| 1936 | A | 93.6 | Very high | 82.5 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1903 K1904 A1905 T1993 F1994 T1995 | L1903-A1936 HydrophobicContact CD1-CB 4.49Å; K1904-A1936 CarbonylContact O-C 3.58Å; K1904-A1936 WeakPolarHBondContact O-CA 3.29Å; A1905-A1936 HydrophobicContact CB-CB 4.23Å; A1936-T1993 PolarHBondContact N-O 3.07Å; A1936-F1994 HydrophobicContact CB-CD1 3.69Å; A1936-F1994 HydrophobicContact CB-CE1 4.05Å; A1936-F1994 HydrophobicContact CB-CG 4.46Å; A1936-F1994 CarbonylContact O-C 3.53Å; A1936-F1994 WeakPolarHBondContact O-CA 3.3Å; A1936-T1995 PolarHBondContact O-N 2.96Å; A1936-T1995 PolarHBondContact O-OG1 2.82Å; A1936-T1995 VanDerWaalsContact O-OG1 3.1Å |
| 1937 | E | 92.6 | Very high | 82.8 | Confident | 74.6 Ų | 74.6 | 50.5 Ų | 50.5 | 35% | 0.349 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.9 | 171 | -64.6 | 167.6 | -164.8 | 0 | 0 | 109.2 | K1904 K1906 T1995 | K1904-E1937 HydrophobicContact CB-CB 4.31Å; K1904-E1937 WeakPolarHBondContact CD-OE2 3.43Å; K1904-E1937 WeakPolarHBondContact CE-OE2 3.37Å; K1904-E1937 PolarHBondContact N-O 3.1Å; K1904-E1937 VanDerWaalsContact NZ-CD 3.31Å; K1904-E1937 IonicContact NZ-OE1 3.07Å; K1904-E1937 PolarHBondContact NZ-OE1 2.95Å; K1904-E1937 VanDerWaalsContact NZ-OE1 3.14Å; K1904-E1937 IonicContact NZ-OE2 3.43Å; K1904-E1937 PolarHBondContact NZ-OE2 2.96Å; K1904-E1937 VanDerWaalsContact NZ-OE2 3.14Å; K1904-E1937 PolarHBondContact O-N 3.01Å; K1906-E1937 IonicContact NZ-OE1 2.73Å; K1906-E1937 PolarHBondContact NZ-OE1 2.8Å; E1937-T1995 WeakPolarHBondContact CA-OG1 3.42Å |
| 1938 | I | 90.8 | Very high | 82.9 | Confident | 33.4 Ų | 33.4 | 52.1 Ų | 52.1 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.3 | 178 | -58.9 | 175.5 | 0 | 0 | 0 | 108 | P1901 L1903 F1994 T1995 V1996 W1997 | P1901-I1938 HydrophobicContact CB-CG2 4.13Å; P1901-I1938 HydrophobicContact CG-CG2 3.56Å; P1901-I1938 VanDerWaalsContact CG-CG2 3.43Å; L1903-I1938 HydrophobicContact CD1-CD1 4.49Å; L1903-I1938 HydrophobicContact CD1-CG1 4.01Å; I1938-F1994 HydrophobicContact CD1-CD1 4.18Å; I1938-T1995 PolarHBondContact N-O 2.93Å; I1938-V1996 HydrophobicContact CB-CB 4.42Å; I1938-V1996 HydrophobicContact CB-CG1 4.25Å; I1938-V1996 HydrophobicContact CB-CG2 4.21Å; I1938-V1996 HydrophobicContact CD1-CG2 4.3Å; I1938-V1996 HydrophobicContact CG2-CG1 4.07Å; I1938-V1996 CarbonylContact O-C 3.59Å; I1938-V1996 VanDerWaalsContact O-CA 3.31Å; I1938-V1996 WeakPolarHBondContact O-CA 3.33Å; I1938-W1997 VanDerWaalsContact O-CD1 3.29Å; I1938-W1997 PolarHBondContact O-N 3.11Å |
| 1939 | G | 87.3 | Confident | 83.2 | Confident | 6.8 Ų | 6.8 | 45.7 Ų | 45.7 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | trans | -65.6 | -174.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1901 P1902 I1941 | P1901-G1939 VanDerWaalsContact CB-C 3.43Å; P1901-G1939 VanDerWaalsContact CB-O 3.29Å; P1901-G1939 WeakPolarHBondContact CB-O 3.3Å; P1902-G1939 PolarHBondContact O-N 3.07Å; G1939-I1941 PolarHBondContact O-N 3.04Å | ||
| 1940 | A | 86.5 | Confident | 83.2 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | trans | -69.5 | 125 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1998 | A1940-S1998 CarbonylContact C-O 3.52Å; A1940-S1998 VanDerWaalsContact CA-O 3.31Å; A1940-S1998 WeakPolarHBondContact CA-O 3.33Å; A1940-S1998 VanDerWaalsContact CB-OG 3.28Å; A1940-S1998 WeakPolarHBondContact CB-OG 3.39Å | ||
| 1941 | I | 85.6 | Confident | 82.7 | Confident | 43.6 Ų | 43.6 | 47 Ų | 47 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.2 | 169.7 | -59.8 | 176 | 0 | 0 | 0 | 107.7 | P1901 G1939 H1943 V1996 S1998 V1999 S2000 | P1901-I1941 HydrophobicContact CB-CG1 4.28Å; P1901-I1941 HydrophobicContact CG-CB 4.29Å; P1901-I1941 HydrophobicContact CG-CD1 4.29Å; P1901-I1941 HydrophobicContact CG-CG1 3.59Å; G1939-I1941 PolarHBondContact O-N 3.04Å; I1941-H1943 VanDerWaalsContact CG2-CD2 3.49Å; I1941-H1943 WeakPolarHBondContact CG2-CD2 3.42Å; I1941-V1996 HydrophobicContact CD1-CG1 4.31Å; I1941-V1996 HydrophobicContact CG1-CG1 4.45Å; I1941-S1998 PolarHBondContact N-O 2.81Å; I1941-V1999 HydrophobicContact CB-CB 4.46Å; I1941-V1999 HydrophobicContact CB-CG1 4.25Å; I1941-V1999 HydrophobicContact CB-CG2 4.36Å; I1941-V1999 HydrophobicContact CD1-CG2 4.17Å; I1941-V1999 HydrophobicContact CG2-CG1 4.31Å; I1941-V1999 CarbonylContact O-C 3.52Å; I1941-V1999 WeakPolarHBondContact O-CA 3.35Å; I1941-S2000 PolarHBondContact O-N 3.16Å |
| 1942 | R | 83.6 | Confident | 82 | Confident | 155.4 Ų | 155.4 | 48.8 Ų | 48.8 | 59% | 0.586 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.5 | 173.2 | -62.9 | -172.1 | -174.7 | 177.9 | 3.5 | 109.8 | S2000 E2074 | R1942-S2000 WeakPolarHBondContact CA-O 3.35Å; R1942-E2074 IonicContact CZ-OE1 3.33Å; R1942-E2074 IonicContact NH1-OE1 3.22Å; R1942-E2074 PolarHBondContact NH1-OE1 2.85Å; R1942-E2074 IonicContact NH1-OE2 2.77Å |
| 1943 | H | 79.4 | Confident | 81.3 | Confident | 57.4 Ų | 57.4 | 49.4 Ų | 49.4 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.7 | 177 | -67.9 | -42.7 | 0 | 0 | 0 | 111.4 | S1899 I1941 S2000 I2001 T2002 | S1899-H1943 PolarHBondContact O-CE1 2.97Å; I1941-H1943 VanDerWaalsContact CG2-CD2 3.49Å; I1941-H1943 WeakPolarHBondContact CG2-CD2 3.42Å; H1943-S2000 PolarHBondContact N-O 3Å; H1943-I2001 CarbonylContact O-C 3.31Å; H1943-I2001 WeakPolarHBondContact O-CA 3.42Å; H1943-T2002 PolarHBondContact O-N 3.09Å |
| 1944 | T | 79.1 | Confident | 80.2 | Confident | 81.4 Ų | 81.4 | 49.7 Ų | 49.7 | 50% | 0.499 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 105.4 | 174.5 | -41.5 | 0 | 0 | 0 | 0 | 109.1 | T1946 L1949 T2002 T2004 | T1944-T1946 HydrophobicContact CG2-CG2 4.43Å; T1944-T1946 PolarHBondContact O-N 3.11Å; T1944-T1946 VanDerWaalsContact O-N 3.16Å; T1944-L1949 WeakPolarHBondContact O-CD2 3.38Å; T1944-T2002 CarbonylContact C-O 3.56Å; T1944-T2002 VanDerWaalsContact CA-O 3.29Å; T1944-T2002 WeakPolarHBondContact CA-O 3.4Å; T1944-T2004 HydrophobicContact CG2-CG2 3.79Å |
| 1945 | L | 80 | Confident | 79 | Confident | 46.4 Ų | 46.4 | 51.3 Ų | 51.3 | 24% | 0.243 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 91.8 | 175.7 | -66.2 | 172.6 | 0 | 0 | 0 | 109.1 | L1949 L1953 I2001 T2002 A2003 T2004 Y2141 | L1945-L1949 HydrophobicContact CD2-CD2 4.13Å; L1945-L1949 HydrophobicContact CD2-CG 4.38Å; L1945-L1953 HydrophobicContact CD2-CD1 3.85Å; L1945-I2001 HydrophobicContact CD1-CG2 3.69Å; L1945-I2001 HydrophobicContact CG-CG2 4.26Å; L1945-T2002 PolarHBondContact N-O 2.83Å; L1945-A2003 CarbonylContact O-C 3.57Å; L1945-A2003 WeakPolarHBondContact O-CA 3.38Å; L1945-T2004 PolarHBondContact O-N 3.01Å; L1945-T2004 VanDerWaalsContact O-N 3.13Å; L1945-T2004 PolarHBondContact O-OG1 2.92Å; L1945-Y2141 PolarHBondContact O-OH 2.96Å; L1945-Y2141 VanDerWaalsContact O-OH 3.05Å |
| 1946 | T | 77.1 | Confident | 77.8 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 162.1 | 166.2 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | T1944 D1948 L1949 L1950 T2004 | T1944-T1946 HydrophobicContact CG2-CG2 4.43Å; T1944-T1946 PolarHBondContact O-N 3.11Å; T1944-T1946 VanDerWaalsContact O-N 3.16Å; T1946-D1948 PolarHBondContact O-N 2.94Å; T1946-D1948 PolarHBondContact OG1-N 3.08Å; T1946-L1949 PolarHBondContact O-N 2.89Å; T1946-L1949 WeakPolarHBondContact OG1-CB 3.33Å; T1946-L1949 PolarHBondContact OG1-N 3.01Å; T1946-L1950 WeakPolarHBondContact O-CB 3.5Å; T1946-L1950 PolarHBondContact O-N 2.98Å; T1946-L1950 VanDerWaalsContact O-N 3.07Å; T1946-T2004 WeakPolarHBondContact CA-OG1 3.42Å |
| 1947 | T | 73.5 | Confident | 76.9 | Confident | 13.6 Ų | 13.6 | 53.4 Ų | 53.4 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -35.6 | 170.1 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | L1950 N1951 T2004 P2006 Y2141 | T1947-L1950 WeakPolarHBondContact O-CB 3.21Å; T1947-L1950 PolarHBondContact O-N 2.92Å; T1947-N1951 WeakPolarHBondContact O-CB 3.29Å; T1947-N1951 PolarHBondContact O-N 3.04Å; T1947-N1951 VanDerWaalsContact O-N 3.13Å; T1947-N1951 PolarHBondContact O-ND2 3.04Å; T1947-N1951 VanDerWaalsContact O-ND2 3.14Å; T1947-N1951 PolarHBondContact O-OD1 2.89Å; T1947-T2004 PolarHBondContact N-O 3.12Å; T1947-P2006 HydrophobicContact CG2-CG 4.3Å; T1947-Y2141 HydrophobicContact CG2-CD2 4.4Å; T1947-Y2141 HydrophobicContact CG2-CE2 4.24Å |
| 1948 | D | 69.3 | Low | 75.6 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71 | -41.7 | 178.9 | -68.4 | -27.3 | 0 | 0 | 0 | 112.4 | T1946 L1950 N1951 Q1952 T2403 | T1946-D1948 PolarHBondContact O-N 2.94Å; T1946-D1948 PolarHBondContact OG1-N 3.08Å; D1948-L1950 VanDerWaalsContact C-N 3.32Å; D1948-L1950 PolarHBondContact O-N 2.87Å; D1948-N1951 VanDerWaalsContact O-CB 3.3Å; D1948-N1951 WeakPolarHBondContact O-CB 3.34Å; D1948-N1951 PolarHBondContact O-N 3.02Å; D1948-Q1952 VanDerWaalsContact O-CG 3.31Å; D1948-Q1952 WeakPolarHBondContact O-CG 3.43Å; D1948-Q1952 PolarHBondContact O-N 3.1Å; D1948-Q1952 PolarHBondContact OD2-NE2 2.69Å; D1948-T2403 WeakPolarHBondContact OD2-CG2 3.28Å |
| 1949 | L | 72.1 | Confident | 74.3 | Confident | 38.2 Ų | 38.2 | 50.6 Ų | 50.6 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 174.6 | -177 | 60.1 | 0 | 0 | 0 | 111.4 | I1896 T1944 L1945 T1946 N1951 Q1952 L1953 | I1896-L1949 HydrophobicContact CD1-CD1 4.2Å; I1896-L1949 HydrophobicContact CG1-CD1 4.3Å; I1896-L1949 HydrophobicContact CG2-CD1 3.84Å; T1944-L1949 WeakPolarHBondContact O-CD2 3.38Å; L1945-L1949 HydrophobicContact CD2-CD2 4.13Å; L1945-L1949 HydrophobicContact CD2-CG 4.38Å; T1946-L1949 PolarHBondContact O-N 2.89Å; T1946-L1949 WeakPolarHBondContact OG1-CB 3.33Å; T1946-L1949 PolarHBondContact OG1-N 3.01Å; L1949-N1951 VanDerWaalsContact C-N 3.32Å; L1949-N1951 PolarHBondContact O-N 2.95Å; L1949-Q1952 PolarHBondContact O-N 3.02Å; L1949-L1953 HydrophobicContact CD1-CD1 4.47Å; L1949-L1953 HydrophobicContact CD1-CG 4.38Å; L1949-L1953 HydrophobicContact CG-CD1 4.2Å; L1949-L1953 WeakPolarHBondContact O-CB 3.34Å; L1949-L1953 VanDerWaalsContact O-CG 3.26Å; L1949-L1953 WeakPolarHBondContact O-CG 3.35Å; L1949-L1953 PolarHBondContact O-N 3.18Å |
| 1950 | L | 71 | Confident | 73.4 | Confident | 39.8 Ų | 39.8 | 54.2 Ų | 54.2 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 172.2 | -172.7 | 75.1 | 0 | 0 | 0 | 111.4 | T1946 T1947 D1948 Q1952 L1953 L1954 Y2141 T2144 | T1946-L1950 WeakPolarHBondContact O-CB 3.5Å; T1946-L1950 PolarHBondContact O-N 2.98Å; T1946-L1950 VanDerWaalsContact O-N 3.07Å; T1947-L1950 WeakPolarHBondContact O-CB 3.21Å; T1947-L1950 PolarHBondContact O-N 2.92Å; D1948-L1950 VanDerWaalsContact C-N 3.32Å; D1948-L1950 PolarHBondContact O-N 2.87Å; L1950-Q1952 VanDerWaalsContact C-N 3.32Å; L1950-Q1952 PolarHBondContact O-N 2.93Å; L1950-L1953 PolarHBondContact O-N 2.96Å; L1950-L1954 HydrophobicContact CD1-CD1 4.33Å; L1950-L1954 HydrophobicContact CD1-CG 4.25Å; L1950-L1954 HydrophobicContact CD2-CD1 4.19Å; L1950-L1954 HydrophobicContact CG-CD1 3.94Å; L1950-L1954 HydrophobicContact CG-CG 4.35Å; L1950-L1954 WeakPolarHBondContact O-CB 3.36Å; L1950-L1954 VanDerWaalsContact O-CG 3.27Å; L1950-L1954 WeakPolarHBondContact O-CG 3.35Å; L1950-L1954 PolarHBondContact O-N 2.95Å; L1950-Y2141 HydrophobicContact CD2-CD1 3.81Å; L1950-Y2141 HydrophobicContact CD2-CE1 3.81Å; L1950-T2144 HydrophobicContact CD2-CG2 4.42Å |
| 1951 | N | 67.9 | Low | 72.5 | Confident | 34.4 Ų | 34.4 | 54.1 Ų | 54.1 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 176 | -62.6 | -26 | 0 | 0 | 0 | 111.3 | T1947 D1948 L1949 L1954 F1955 T2144 W2148 | T1947-N1951 WeakPolarHBondContact O-CB 3.29Å; T1947-N1951 PolarHBondContact O-N 3.04Å; T1947-N1951 VanDerWaalsContact O-N 3.13Å; T1947-N1951 PolarHBondContact O-ND2 3.04Å; T1947-N1951 VanDerWaalsContact O-ND2 3.14Å; T1947-N1951 PolarHBondContact O-OD1 2.89Å; D1948-N1951 VanDerWaalsContact O-CB 3.3Å; D1948-N1951 WeakPolarHBondContact O-CB 3.34Å; D1948-N1951 PolarHBondContact O-N 3.02Å; L1949-N1951 VanDerWaalsContact C-N 3.32Å; L1949-N1951 PolarHBondContact O-N 2.95Å; N1951-L1954 PolarHBondContact O-N 2.85Å; N1951-F1955 VanDerWaalsContact O-CB 3.27Å; N1951-F1955 WeakPolarHBondContact O-CB 3.43Å; N1951-F1955 PolarHBondContact O-N 3.18Å; N1951-T2144 VanDerWaalsContact OD1-CG2 3.23Å; N1951-T2144 WeakPolarHBondContact OD1-CG2 3.33Å; N1951-W2148 HydrophobicContact CB-CZ2 4.29Å; N1951-W2148 VanDerWaalsContact CG-CD1 3.45Å; N1951-W2148 PolarHBondContact ND2-NE1 3.05Å; N1951-W2148 VanDerWaalsContact ND2-NE1 3.12Å; N1951-W2148 PolarHBondContact OD1-NE1 3.09Å; N1951-W2148 VanDerWaalsContact OD1-NE1 3.07Å |
| 1952 | Q | 69.3 | Low | 71.6 | Confident | 51.6 Ų | 51.6 | 57.3 Ų | 57.3 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.5 | -65.5 | 174.4 | -11.7 | 0 | 0 | 111.9 | V1892 I1896 D1948 L1949 L1950 F1955 I1956 | V1892-Q1952 PolarHBondContact O-NE2 2.66Å; I1896-Q1952 HydrophobicContact CD1-CB 3.65Å; I1896-Q1952 VanDerWaalsContact CD1-CB 3.49Å; I1896-Q1952 HydrophobicContact CG1-CB 4.19Å; D1948-Q1952 VanDerWaalsContact O-CG 3.31Å; D1948-Q1952 WeakPolarHBondContact O-CG 3.43Å; D1948-Q1952 PolarHBondContact O-N 3.1Å; D1948-Q1952 PolarHBondContact OD2-NE2 2.69Å; L1949-Q1952 PolarHBondContact O-N 3.02Å; L1950-Q1952 VanDerWaalsContact C-N 3.32Å; L1950-Q1952 PolarHBondContact O-N 2.93Å; Q1952-F1955 PolarHBondContact O-N 2.98Å; Q1952-I1956 WeakPolarHBondContact O-CB 3.41Å; Q1952-I1956 VanDerWaalsContact O-CG1 3.24Å; Q1952-I1956 WeakPolarHBondContact O-CG1 3.43Å; Q1952-I1956 PolarHBondContact O-N 3.04Å |
| 1953 | L | 72.8 | Confident | 70.9 | Confident | 58.2 Ų | 58.2 | 50.9 Ų | 50.9 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.2 | -77.7 | 167.8 | 0 | 0 | 0 | 112.5 | I1896 L1945 L1949 L1950 F1955 I1956 E1957 | I1896-L1953 HydrophobicContact CD1-CD2 4.1Å; I1896-L1953 HydrophobicContact CD1-CG 4.31Å; L1945-L1953 HydrophobicContact CD2-CD1 3.85Å; L1949-L1953 HydrophobicContact CD1-CD1 4.47Å; L1949-L1953 HydrophobicContact CD1-CG 4.38Å; L1949-L1953 HydrophobicContact CG-CD1 4.2Å; L1949-L1953 WeakPolarHBondContact O-CB 3.34Å; L1949-L1953 VanDerWaalsContact O-CG 3.26Å; L1949-L1953 WeakPolarHBondContact O-CG 3.35Å; L1949-L1953 PolarHBondContact O-N 3.18Å; L1950-L1953 PolarHBondContact O-N 2.96Å; L1953-F1955 VanDerWaalsContact C-N 3.34Å; L1953-I1956 CarbonylContact O-C 3.55Å; L1953-I1956 PolarHBondContact O-N 2.98Å; L1953-E1957 WeakPolarHBondContact O-CB 3.42Å; L1953-E1957 PolarHBondContact O-N 2.85Å |
| 1954 | L | 67.8 | Low | 70.5 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.9 | -73.2 | 168.5 | 0 | 0 | 0 | 111.5 | L1950 N1951 I1956 E1957 E1958 Y2145 W2148 | L1950-L1954 HydrophobicContact CD1-CD1 4.33Å; L1950-L1954 HydrophobicContact CD1-CG 4.25Å; L1950-L1954 HydrophobicContact CD2-CD1 4.19Å; L1950-L1954 HydrophobicContact CG-CD1 3.94Å; L1950-L1954 HydrophobicContact CG-CG 4.35Å; L1950-L1954 WeakPolarHBondContact O-CB 3.36Å; L1950-L1954 VanDerWaalsContact O-CG 3.27Å; L1950-L1954 WeakPolarHBondContact O-CG 3.35Å; L1950-L1954 PolarHBondContact O-N 2.95Å; N1951-L1954 PolarHBondContact O-N 2.85Å; L1954-I1956 VanDerWaalsContact C-N 3.34Å; L1954-I1956 PolarHBondContact O-N 3.21Å; L1954-E1957 WeakPolarHBondContact CD2-OE2 3.19Å; L1954-E1957 CarbonylContact O-C 3.59Å; L1954-E1957 WeakPolarHBondContact O-CB 3.11Å; L1954-E1957 PolarHBondContact O-N 3.05Å; L1954-E1958 WeakPolarHBondContact O-CB 3.36Å; L1954-E1958 PolarHBondContact O-N 2.97Å; L1954-Y2145 HydrophobicContact CD1-CD2 3.89Å; L1954-Y2145 HydrophobicContact CD2-CD2 4.21Å; L1954-Y2145 HydrophobicContact CD2-CE2 4.09Å; L1954-W2148 HydrophobicContact CB-CD2 4.39Å; L1954-W2148 HydrophobicContact CB-CH2 4.42Å; L1954-W2148 HydrophobicContact CB-CZ2 3.96Å; L1954-W2148 HydrophobicContact CD1-CB 4.45Å; L1954-W2148 HydrophobicContact CD1-CD2 4.4Å; L1954-W2148 HydrophobicContact CD1-CG 4.18Å |
| 1955 | F | 67.2 | Low | 70.1 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 31% | 0.307 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -40.5 | 174 | -176.2 | -89.1 | 0 | 0 | 0 | 111.9 | V1882 L1885 N1951 Q1952 L1953 E1957 E1958 T1959 W2148 H2152 | V1882-F1955 HydrophobicContact CG1-CD1 4.48Å; V1882-F1955 HydrophobicContact CG1-CE1 3.96Å; L1885-F1955 HydrophobicContact CD1-CD1 4.2Å; L1885-F1955 HydrophobicContact CD1-CE1 4.09Å; L1885-F1955 HydrophobicContact CD1-CZ 4.33Å; N1951-F1955 VanDerWaalsContact O-CB 3.27Å; N1951-F1955 WeakPolarHBondContact O-CB 3.43Å; N1951-F1955 PolarHBondContact O-N 3.18Å; Q1952-F1955 PolarHBondContact O-N 2.98Å; L1953-F1955 VanDerWaalsContact C-N 3.34Å; F1955-E1957 VanDerWaalsContact C-N 3.35Å; F1955-E1958 PolarHBondContact O-N 3.49Å; F1955-T1959 HydrophobicContact CD1-CG2 4.13Å; F1955-T1959 HydrophobicContact CD2-CG2 4.43Å; F1955-T1959 HydrophobicContact CE1-CG2 3.63Å; F1955-T1959 HydrophobicContact CE2-CG2 4.09Å; F1955-T1959 HydrophobicContact CZ-CG2 3.73Å; F1955-T1959 WeakPolarHBondContact O-CB 3.34Å; F1955-T1959 WeakPolarHBondContact O-CG2 3.45Å; F1955-T1959 PolarHBondContact O-N 3.22Å; F1955-T1959 PolarHBondContact O-OG1 3.02Å; F1955-W2148 HydrophobicContact CB-CH2 4.01Å; F1955-W2148 HydrophobicContact CB-CZ3 4.36Å; F1955-W2148 AromaticContact CD2-CH2 3.88Å; F1955-W2148 HydrophobicContact CD2-CH2 3.88Å; F1955-W2148 AromaticContact CD2-CZ3 3.91Å; F1955-W2148 HydrophobicContact CD2-CZ3 3.91Å; F1955-W2148 HydrophobicContact CG-CH2 4.36Å; F1955-H2152 AromaticContact CD2-CE1 3.78Å |
| 1956 | I | 68.4 | Low | 69.6 | Low | 21.6 Ų | 21.6 | 51.3 Ų | 51.3 | 11% | 0.111 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 172.2 | -72.5 | 176 | 0 | 0 | 0 | 110.5 | L1848 F1880 V1882 I1896 Q1952 L1953 L1954 E1958 T1959 F1960 | L1848-I1956 HydrophobicContact CD1-CD1 4.35Å; L1848-I1956 HydrophobicContact CD1-CG1 4.29Å; L1848-I1956 HydrophobicContact CD1-CG2 4.33Å; L1848-I1956 HydrophobicContact CD2-CG2 4.06Å; F1880-I1956 HydrophobicContact CB-CD1 3.96Å; F1880-I1956 HydrophobicContact CD1-CD1 4.4Å; F1880-I1956 HydrophobicContact CG-CD1 4.16Å; V1882-I1956 HydrophobicContact CG2-CD1 4.22Å; V1882-I1956 HydrophobicContact CG2-CG1 4.29Å; I1896-I1956 HydrophobicContact CD1-CD1 3.48Å; I1896-I1956 VanDerWaalsContact CD1-CD1 3.47Å; I1896-I1956 HydrophobicContact CG1-CD1 4.21Å; Q1952-I1956 WeakPolarHBondContact O-CB 3.41Å; Q1952-I1956 VanDerWaalsContact O-CG1 3.24Å; Q1952-I1956 WeakPolarHBondContact O-CG1 3.43Å; Q1952-I1956 PolarHBondContact O-N 3.04Å; L1953-I1956 CarbonylContact O-C 3.55Å; L1953-I1956 PolarHBondContact O-N 2.98Å; L1954-I1956 VanDerWaalsContact C-N 3.34Å; L1954-I1956 PolarHBondContact O-N 3.21Å; I1956-E1958 PolarHBondContact O-N 3.24Å; I1956-T1959 WeakPolarHBondContact CA-OG1 3.15Å; I1956-T1959 PolarHBondContact O-OG1 3.31Å; I1956-T1959 VanDerWaalsContact O-OG1 3.05Å; I1956-F1960 WeakPolarHBondContact O-CA 3.27Å; I1956-F1960 WeakPolarHBondContact O-CB 3.33Å; I1956-F1960 PolarHBondContact O-N 3.11Å |
| 1957 | E | 73.2 | Confident | 69.1 | Low | 95 Ų | 95 | 49.3 Ų | 49.3 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.7 | -169 | -144.5 | 155.2 | 0 | 0 | 112.1 | L1953 L1954 F1955 F1960 T1961 | L1953-E1957 WeakPolarHBondContact O-CB 3.42Å; L1953-E1957 PolarHBondContact O-N 2.85Å; L1954-E1957 WeakPolarHBondContact CD2-OE2 3.19Å; L1954-E1957 CarbonylContact O-C 3.59Å; L1954-E1957 WeakPolarHBondContact O-CB 3.11Å; L1954-E1957 PolarHBondContact O-N 3.05Å; F1955-E1957 VanDerWaalsContact C-N 3.35Å; E1957-F1960 CarbonylContact O-C 3.56Å; E1957-F1960 WeakPolarHBondContact O-CB 3.49Å; E1957-F1960 PolarHBondContact O-N 2.85Å; E1957-T1961 HydrophobicContact CG-CG2 4.28Å; E1957-T1961 VanDerWaalsContact O-CB 3.28Å; E1957-T1961 WeakPolarHBondContact O-CB 3.31Å; E1957-T1961 WeakPolarHBondContact O-CG2 3.34Å; E1957-T1961 PolarHBondContact O-N 3.04Å; E1957-T1961 PolarHBondContact O-OG1 3.18Å; E1957-T1961 WeakPolarHBondContact OE1-CB 3.39Å; E1957-T1961 PolarHBondContact OE1-OG1 2.85Å |
| 1958 | E | 65.1 | Low | 68.9 | Low | 40.2 Ų | 40.2 | 50.6 Ų | 50.6 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -48.6 | 179.5 | -170.8 | -172.8 | 175.6 | 0 | 0 | 111.7 | L1954 F1955 I1956 F1960 T1961 R1962 W2148 H2152 Y2155 H2156 | L1954-E1958 WeakPolarHBondContact O-CB 3.36Å; L1954-E1958 PolarHBondContact O-N 2.97Å; F1955-E1958 PolarHBondContact O-N 3.49Å; I1956-E1958 PolarHBondContact O-N 3.24Å; E1958-F1960 VanDerWaalsContact C-N 3.31Å; E1958-F1960 PolarHBondContact O-N 3.1Å; E1958-T1961 PolarHBondContact O-N 3.19Å; E1958-T1961 PolarHBondContact O-OG1 2.79Å; E1958-R1962 VanDerWaalsContact O-CB 3.29Å; E1958-R1962 WeakPolarHBondContact O-CB 3.41Å; E1958-R1962 PolarHBondContact O-N 2.87Å; E1958-W2148 HydrophobicContact CB-CZ3 4.47Å; E1958-W2148 VanDerWaalsContact OE2-CZ3 3.3Å; E1958-W2148 WeakPolarHBondContact OE2-CZ3 3.49Å; E1958-H2152 VanDerWaalsContact CB-CE1 3.41Å; E1958-H2152 WeakPolarHBondContact CB-CE1 3.22Å; E1958-H2152 WeakPolarHBondContact CG-CE1 3.36Å; E1958-H2152 IonicContact OE1-CE1 3.26Å; E1958-H2152 IonicContact OE1-CG 3.44Å; E1958-H2152 IonicContact OE1-ND1 3.15Å; E1958-H2152 PolarHBondContact OE1-ND1 3.38Å; E1958-H2152 WeakPolarHBondContact OE2-CB 3.41Å; E1958-H2152 IonicContact OE2-CD2 3.1Å; E1958-H2152 PolarHBondContact OE2-CD2 3.14Å; E1958-H2152 IonicContact OE2-CE1 3.23Å; E1958-H2152 IonicContact OE2-CG 2.81Å; E1958-H2152 VanDerWaalsContact OE2-CG 3.24Å; E1958-H2152 IonicContact OE2-ND1 3.46Å; E1958-H2152 PolarHBondContact OE2-ND1 3.41Å; E1958-H2152 VanDerWaalsContact OE2-ND1 3.14Å; E1958-H2152 IonicContact OE2-NE2 2.71Å; E1958-Y2155 WeakPolarHBondContact OE1-CE2 3.1Å; E1958-H2156 IonicContact OE1-CD2 3.36Å; E1958-H2156 IonicContact OE1-CE1 3.68Å; E1958-H2156 IonicContact OE1-NE2 3.23Å; E1958-H2156 PolarHBondContact OE1-NE2 2.94Å |
| 1959 | T | 64.5 | Low | 68.9 | Low | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 175.9 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | L1845 F1955 I1956 E1963 | L1845-T1959 WeakPolarHBondContact CD1-O 3.4Å; F1955-T1959 HydrophobicContact CD1-CG2 4.13Å; F1955-T1959 HydrophobicContact CD2-CG2 4.43Å; F1955-T1959 HydrophobicContact CE1-CG2 3.63Å; F1955-T1959 HydrophobicContact CE2-CG2 4.09Å; F1955-T1959 HydrophobicContact CZ-CG2 3.73Å; F1955-T1959 WeakPolarHBondContact O-CB 3.34Å; F1955-T1959 WeakPolarHBondContact O-CG2 3.45Å; F1955-T1959 PolarHBondContact O-N 3.22Å; F1955-T1959 PolarHBondContact O-OG1 3.02Å; I1956-T1959 WeakPolarHBondContact CA-OG1 3.15Å; I1956-T1959 PolarHBondContact O-OG1 3.31Å; I1956-T1959 VanDerWaalsContact O-OG1 3.05Å; T1959-E1963 VanDerWaalsContact O-CB 3.31Å; T1959-E1963 WeakPolarHBondContact O-CB 3.25Å; T1959-E1963 WeakPolarHBondContact O-CG 3.34Å; T1959-E1963 PolarHBondContact O-N 3.04Å; T1959-E1963 VanDerWaalsContact O-N 3.1Å |
| 1960 | F | 68.7 | Low | 68.6 | Low | 82.2 Ų | 82.2 | 55.7 Ų | 55.7 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.3 | -55.2 | 171.4 | -174.6 | -100.7 | 0 | 0 | 0 | 111.8 | L1845 I1956 E1957 E1958 R1962 E1963 L1964 | L1845-F1960 VanDerWaalsContact CD1-CA 3.48Å; L1845-F1960 HydrophobicContact CD1-CB 4.25Å; L1845-F1960 HydrophobicContact CD1-CD2 4.11Å; L1845-F1960 HydrophobicContact CD2-CD2 4.15Å; L1845-F1960 HydrophobicContact CD2-CE2 4.39Å; L1845-F1960 HydrophobicContact CG-CD2 4.24Å; I1956-F1960 WeakPolarHBondContact O-CA 3.27Å; I1956-F1960 WeakPolarHBondContact O-CB 3.33Å; I1956-F1960 PolarHBondContact O-N 3.11Å; E1957-F1960 CarbonylContact O-C 3.56Å; E1957-F1960 WeakPolarHBondContact O-CB 3.49Å; E1957-F1960 PolarHBondContact O-N 2.85Å; E1958-F1960 VanDerWaalsContact C-N 3.31Å; E1958-F1960 PolarHBondContact O-N 3.1Å; F1960-R1962 VanDerWaalsContact C-N 3.31Å; F1960-R1962 PolarHBondContact O-N 3.08Å; F1960-E1963 PolarHBondContact O-N 3.21Å; F1960-L1964 HydrophobicContact CD1-CB 4.48Å; F1960-L1964 HydrophobicContact CD1-CD2 4.28Å; F1960-L1964 HydrophobicContact CE1-CD1 4.36Å; F1960-L1964 HydrophobicContact CE1-CD2 3.72Å; F1960-L1964 HydrophobicContact CE1-CG 4.44Å; F1960-L1964 HydrophobicContact CE2-CD1 4.39Å; F1960-L1964 HydrophobicContact CZ-CD1 4.21Å; F1960-L1964 HydrophobicContact CZ-CD2 4.13Å; F1960-L1964 WeakPolarHBondContact O-CA 3.27Å; F1960-L1964 WeakPolarHBondContact O-CB 3.33Å; F1960-L1964 PolarHBondContact O-N 3.1Å |
| 1961 | T | 67.8 | Low | 68.4 | Low | 39.6 Ų | 39.6 | 56.8 Ų | 56.8 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | -176.6 | -51.8 | 0 | 0 | 0 | 0 | 112.6 | E1957 E1958 T1965 F2177 | E1957-T1961 HydrophobicContact CG-CG2 4.28Å; E1957-T1961 VanDerWaalsContact O-CB 3.28Å; E1957-T1961 WeakPolarHBondContact O-CB 3.31Å; E1957-T1961 WeakPolarHBondContact O-CG2 3.34Å; E1957-T1961 PolarHBondContact O-N 3.04Å; E1957-T1961 PolarHBondContact O-OG1 3.18Å; E1957-T1961 WeakPolarHBondContact OE1-CB 3.39Å; E1957-T1961 PolarHBondContact OE1-OG1 2.85Å; E1958-T1961 PolarHBondContact O-N 3.19Å; E1958-T1961 PolarHBondContact O-OG1 2.79Å; T1961-T1965 VanDerWaalsContact O-CB 3.27Å; T1961-T1965 WeakPolarHBondContact O-CB 3.37Å; T1961-T1965 PolarHBondContact O-N 3.12Å; T1961-T1965 PolarHBondContact O-OG1 2.92Å; T1961-F2177 HydrophobicContact CG2-CD2 3.81Å; T1961-F2177 VanDerWaalsContact CG2-CD2 3.44Å; T1961-F2177 HydrophobicContact CG2-CE2 3.61Å |
| 1962 | R | 66.9 | Low | 68.1 | Low | 111.6 Ų | 111.6 | 57.3 Ų | 57.3 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -56.7 | 175.9 | -176.6 | -175.4 | 69.8 | -175.8 | 0 | 111.6 | E1958 F1960 L1964 T1965 E1966 H2156 | E1958-R1962 VanDerWaalsContact O-CB 3.29Å; E1958-R1962 WeakPolarHBondContact O-CB 3.41Å; E1958-R1962 PolarHBondContact O-N 2.87Å; F1960-R1962 VanDerWaalsContact C-N 3.31Å; F1960-R1962 PolarHBondContact O-N 3.08Å; R1962-L1964 VanDerWaalsContact C-N 3.31Å; R1962-L1964 PolarHBondContact O-N 2.76Å; R1962-T1965 WeakPolarHBondContact O-CA 3.38Å; R1962-T1965 VanDerWaalsContact O-CB 3.29Å; R1962-T1965 WeakPolarHBondContact O-CB 3.36Å; R1962-T1965 PolarHBondContact O-N 3.21Å; R1962-T1965 VanDerWaalsContact O-N 3.09Å; R1962-E1966 PolarHBondContact O-N 3.06Å; R1962-H2156 VanDerWaalsContact CD-CE1 3.42Å; R1962-H2156 WeakPolarHBondContact CD-CE1 3.48Å; R1962-H2156 WeakPolarHBondContact CD-NE2 3.25Å; R1962-H2156 PolarHBondContact NH1-NE2 2.82Å |
| 1963 | E | 69.1 | Low | 67.6 | Low | 19.8 Ų | 19.8 | 59 Ų | 59 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.5 | -29.4 | -174.7 | -65.8 | 174.3 | -146.3 | 0 | 0 | 111.4 | L1845 P1846 S1847 T1959 F1960 T1965 E1966 I1967 | L1845-E1963 HydrophobicContact CB-CB 4.44Å; L1845-E1963 VanDerWaalsContact CB-OE2 3.31Å; L1845-E1963 WeakPolarHBondContact CB-OE2 3.31Å; L1845-E1963 HydrophobicContact CD1-CB 4.23Å; L1845-E1963 HydrophobicContact CD1-CG 4.3Å; L1845-E1963 HydrophobicContact CD2-CB 3.76Å; L1845-E1963 HydrophobicContact CG-CB 4.37Å; P1846-E1963 VanDerWaalsContact CD-OE2 3.25Å; P1846-E1963 WeakPolarHBondContact CD-OE2 3.39Å; S1847-E1963 WeakPolarHBondContact CB-OE1 3.41Å; S1847-E1963 WeakPolarHBondContact CB-OE2 3.33Å; S1847-E1963 PolarHBondContact N-OE2 3.03Å; S1847-E1963 VanDerWaalsContact OG-CD 3.26Å; S1847-E1963 PolarHBondContact OG-OE1 3.01Å; S1847-E1963 VanDerWaalsContact OG-OE1 3.05Å; S1847-E1963 PolarHBondContact OG-OE2 3.14Å; S1847-E1963 VanDerWaalsContact OG-OE2 3.1Å; T1959-E1963 VanDerWaalsContact O-CB 3.31Å; T1959-E1963 WeakPolarHBondContact O-CB 3.25Å; T1959-E1963 WeakPolarHBondContact O-CG 3.34Å; T1959-E1963 PolarHBondContact O-N 3.04Å; T1959-E1963 VanDerWaalsContact O-N 3.1Å; F1960-E1963 PolarHBondContact O-N 3.21Å; E1963-T1965 VanDerWaalsContact C-N 3.33Å; E1963-T1965 PolarHBondContact O-N 2.71Å; E1963-E1966 WeakPolarHBondContact O-CB 3.39Å; E1963-E1966 PolarHBondContact O-N 3.07Å; E1963-I1967 WeakPolarHBondContact O-CB 3.38Å; E1963-I1967 WeakPolarHBondContact O-CD1 3.21Å; E1963-I1967 VanDerWaalsContact O-CG1 3.27Å; E1963-I1967 WeakPolarHBondContact O-CG1 3.34Å; E1963-I1967 PolarHBondContact O-N 3.04Å |
| 1964 | L | 71 | Confident | 66.8 | Low | 47.8 Ų | 47.8 | 60.6 Ų | 60.6 | 25% | 0.25 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 167.5 | -176.7 | 73.5 | 0 | 0 | 0 | 111.5 | F1960 R1962 E1966 I1967 V1968 M2176 | F1960-L1964 HydrophobicContact CD1-CB 4.48Å; F1960-L1964 HydrophobicContact CD1-CD2 4.28Å; F1960-L1964 HydrophobicContact CE1-CD1 4.36Å; F1960-L1964 HydrophobicContact CE1-CD2 3.72Å; F1960-L1964 HydrophobicContact CE1-CG 4.44Å; F1960-L1964 HydrophobicContact CE2-CD1 4.39Å; F1960-L1964 HydrophobicContact CZ-CD1 4.21Å; F1960-L1964 HydrophobicContact CZ-CD2 4.13Å; F1960-L1964 WeakPolarHBondContact O-CA 3.27Å; F1960-L1964 WeakPolarHBondContact O-CB 3.33Å; F1960-L1964 PolarHBondContact O-N 3.1Å; R1962-L1964 VanDerWaalsContact C-N 3.31Å; R1962-L1964 PolarHBondContact O-N 2.76Å; L1964-E1966 VanDerWaalsContact C-N 3.34Å; L1964-E1966 PolarHBondContact O-N 2.97Å; L1964-I1967 CarbonylContact O-C 3.57Å; L1964-I1967 WeakPolarHBondContact O-CB 3.33Å; L1964-I1967 PolarHBondContact O-N 2.94Å; L1964-I1967 VanDerWaalsContact O-N 3.12Å; L1964-V1968 HydrophobicContact CD1-CG2 3.92Å; L1964-V1968 HydrophobicContact CD2-CG2 4.45Å; L1964-V1968 HydrophobicContact CG-CG2 3.95Å; L1964-V1968 VanDerWaalsContact O-CB 3.31Å; L1964-V1968 WeakPolarHBondContact O-CB 3.37Å; L1964-V1968 VanDerWaalsContact O-CG2 3.26Å; L1964-V1968 WeakPolarHBondContact O-CG2 3.38Å; L1964-V1968 PolarHBondContact O-N 2.92Å; L1964-M2176 HydrophobicContact CB-CE 4.2Å; L1964-M2176 HydrophobicContact CD2-CE 4.1Å; L1964-M2176 HydrophobicContact CG-CE 4.04Å |
| 1965 | T | 70.3 | Confident | 66.1 | Low | 37.4 Ų | 37.4 | 68.8 Ų | 68.8 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 111 | T1961 R1962 E1963 I1967 V1968 Q1969 M2176 | T1961-T1965 VanDerWaalsContact O-CB 3.27Å; T1961-T1965 WeakPolarHBondContact O-CB 3.37Å; T1961-T1965 PolarHBondContact O-N 3.12Å; T1961-T1965 PolarHBondContact O-OG1 2.92Å; R1962-T1965 WeakPolarHBondContact O-CA 3.38Å; R1962-T1965 VanDerWaalsContact O-CB 3.29Å; R1962-T1965 WeakPolarHBondContact O-CB 3.36Å; R1962-T1965 PolarHBondContact O-N 3.21Å; R1962-T1965 VanDerWaalsContact O-N 3.09Å; E1963-T1965 VanDerWaalsContact C-N 3.33Å; E1963-T1965 PolarHBondContact O-N 2.71Å; T1965-I1967 VanDerWaalsContact C-N 3.3Å; T1965-I1967 PolarHBondContact O-N 2.96Å; T1965-V1968 PolarHBondContact O-N 3.2Å; T1965-Q1969 VanDerWaalsContact O-CB 3.29Å; T1965-Q1969 WeakPolarHBondContact O-CB 3.44Å; T1965-Q1969 WeakPolarHBondContact O-CG 3.37Å; T1965-Q1969 PolarHBondContact O-N 2.92Å; T1965-M2176 HydrophobicContact CG2-CB 3.67Å; T1965-M2176 HydrophobicContact CG2-CE 4.02Å; T1965-M2176 HydrophobicContact CG2-SD 4.27Å; T1965-M2176 WeakPolarHBondContact OG1-CE 3.44Å |
| 1966 | E | 68.3 | Low | 65.1 | Low | 108.6 Ų | 108.6 | 69.1 Ų | 69.1 | 51% | 0.507 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 171.8 | -77.1 | -167.3 | -150.9 | 0 | 0 | 112.7 | R1962 E1963 L1964 Q1969 K1970 | R1962-E1966 PolarHBondContact O-N 3.06Å; E1963-E1966 WeakPolarHBondContact O-CB 3.39Å; E1963-E1966 PolarHBondContact O-N 3.07Å; L1964-E1966 VanDerWaalsContact C-N 3.34Å; L1964-E1966 PolarHBondContact O-N 2.97Å; E1966-Q1969 PolarHBondContact O-N 2.93Å; E1966-K1970 VanDerWaalsContact O-CB 3.3Å; E1966-K1970 WeakPolarHBondContact O-CB 3.36Å; E1966-K1970 VanDerWaalsContact O-CD 3.26Å; E1966-K1970 WeakPolarHBondContact O-CD 3.47Å; E1966-K1970 WeakPolarHBondContact O-CE 3.4Å; E1966-K1970 VanDerWaalsContact O-CG 3.23Å; E1966-K1970 WeakPolarHBondContact O-CG 3.31Å; E1966-K1970 PolarHBondContact O-N 3.22Å; E1966-K1970 VanDerWaalsContact O-N 3.1Å; E1966-K1970 IonicContact OE2-NZ 2.64Å; E1966-K1970 PolarHBondContact OE2-NZ 3Å |
| 1967 | I | 67.5 | Low | 63.8 | Low | 9.8 Ų | 9.8 | 73 Ų | 73 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.7 | -47 | -178.9 | -69.6 | 165.2 | 0 | 0 | 0 | 110.6 | P1774 L1845 E1963 L1964 T1965 Q1969 K1970 I1971 | P1774-I1967 HydrophobicContact CB-CG2 4.4Å; L1845-I1967 HydrophobicContact CD2-CD1 4Å; E1963-I1967 WeakPolarHBondContact O-CB 3.38Å; E1963-I1967 WeakPolarHBondContact O-CD1 3.21Å; E1963-I1967 VanDerWaalsContact O-CG1 3.27Å; E1963-I1967 WeakPolarHBondContact O-CG1 3.34Å; E1963-I1967 PolarHBondContact O-N 3.04Å; L1964-I1967 CarbonylContact O-C 3.57Å; L1964-I1967 WeakPolarHBondContact O-CB 3.33Å; L1964-I1967 PolarHBondContact O-N 2.94Å; L1964-I1967 VanDerWaalsContact O-N 3.12Å; T1965-I1967 VanDerWaalsContact C-N 3.3Å; T1965-I1967 PolarHBondContact O-N 2.96Å; I1967-Q1969 VanDerWaalsContact C-N 3.34Å; I1967-K1970 CarbonylContact O-C 3.51Å; I1967-K1970 WeakPolarHBondContact O-CA 3.28Å; I1967-K1970 WeakPolarHBondContact O-CB 3.37Å; I1967-K1970 PolarHBondContact O-N 2.98Å; I1967-K1970 VanDerWaalsContact O-N 3.13Å; I1967-I1971 HydrophobicContact CG2-CD1 3.65Å; I1967-I1971 HydrophobicContact CG2-CG1 4.42Å; I1967-I1971 WeakPolarHBondContact O-CB 3.32Å; I1967-I1971 WeakPolarHBondContact O-CD1 3.39Å; I1967-I1971 VanDerWaalsContact O-CG1 3.3Å; I1967-I1971 WeakPolarHBondContact O-CG1 3.33Å; I1967-I1971 PolarHBondContact O-N 3.21Å |
| 1968 | V | 69.5 | Low | 62.2 | Low | 40.8 Ų | 40.8 | 74.8 Ų | 74.8 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | -179.9 | 174.7 | 0 | 0 | 0 | 0 | 111 | L1964 T1965 K1970 I1971 A1972 M2176 F2180 | L1964-V1968 HydrophobicContact CD1-CG2 3.92Å; L1964-V1968 HydrophobicContact CD2-CG2 4.45Å; L1964-V1968 HydrophobicContact CG-CG2 3.95Å; L1964-V1968 VanDerWaalsContact O-CB 3.31Å; L1964-V1968 WeakPolarHBondContact O-CB 3.37Å; L1964-V1968 VanDerWaalsContact O-CG2 3.26Å; L1964-V1968 WeakPolarHBondContact O-CG2 3.38Å; L1964-V1968 PolarHBondContact O-N 2.92Å; T1965-V1968 PolarHBondContact O-N 3.2Å; V1968-K1970 VanDerWaalsContact C-N 3.25Å; V1968-K1970 PolarHBondContact O-N 3.15Å; V1968-I1971 PolarHBondContact O-N 2.95Å; V1968-I1971 VanDerWaalsContact O-N 3.15Å; V1968-A1972 HydrophobicContact CG1-CB 4.46Å; V1968-A1972 WeakPolarHBondContact O-CB 3.32Å; V1968-A1972 PolarHBondContact O-N 3.02Å; V1968-M2176 HydrophobicContact CB-CE 3.59Å; V1968-M2176 HydrophobicContact CB-SD 3.55Å; V1968-M2176 VanDerWaalsContact CB-SD 3.57Å; V1968-M2176 WeakPolarHBondContact CB-SD 3.36Å; V1968-M2176 HydrophobicContact CG1-CE 3.71Å; V1968-M2176 HydrophobicContact CG1-CG 3.85Å; V1968-M2176 HydrophobicContact CG1-SD 3.42Å; V1968-M2176 VanDerWaalsContact CG1-SD 3.52Å; V1968-M2176 WeakPolarHBondContact CG1-SD 3.37Å; V1968-M2176 HydrophobicContact CG2-CE 3.97Å; V1968-M2176 HydrophobicContact CG2-SD 3.85Å; V1968-M2176 WeakPolarHBondContact CG2-SD 3.46Å; V1968-F2180 HydrophobicContact CG1-CE2 4.1Å; V1968-F2180 HydrophobicContact CG1-CZ 4.37Å; V1968-F2180 HydrophobicContact CG2-CE2 4.47Å |
| 1969 | Q | 67.7 | Low | 60.8 | Low | 116.4 Ų | 116.4 | 83.3 Ų | 83.3 | 54% | 0.544 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 172 | -152.1 | 178.5 | 26.7 | 0 | 0 | 111.4 | T1965 E1966 I1967 I1971 A1972 S1973 M2176 | T1965-Q1969 VanDerWaalsContact O-CB 3.29Å; T1965-Q1969 WeakPolarHBondContact O-CB 3.44Å; T1965-Q1969 WeakPolarHBondContact O-CG 3.37Å; T1965-Q1969 PolarHBondContact O-N 2.92Å; E1966-Q1969 PolarHBondContact O-N 2.93Å; I1967-Q1969 VanDerWaalsContact C-N 3.34Å; Q1969-I1971 VanDerWaalsContact C-N 3.32Å; Q1969-I1971 PolarHBondContact O-N 3.38Å; Q1969-A1972 PolarHBondContact O-N 2.83Å; Q1969-S1973 WeakPolarHBondContact O-CB 3.3Å; Q1969-S1973 PolarHBondContact O-N 3.17Å; Q1969-S1973 PolarHBondContact O-OG 2.97Å; Q1969-S1973 VanDerWaalsContact O-OG 3.1Å; Q1969-M2176 HydrophobicContact CB-CE 3.95Å; Q1969-M2176 HydrophobicContact CG-CE 3.96Å |
| 1970 | K | 67.6 | Low | 59.6 | Low | 104.8 Ų | 104.8 | 86.2 Ų | 86.2 | 46% | 0.456 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 173.8 | -84.3 | 166.4 | -173.4 | 166.6 | 0 | 112.6 | H1778 E1966 I1967 V1968 A1972 S1973 E1974 | H1778-K1970 PolarHBondContact CE1-O 3.09Å; E1966-K1970 VanDerWaalsContact O-CB 3.3Å; E1966-K1970 WeakPolarHBondContact O-CB 3.36Å; E1966-K1970 VanDerWaalsContact O-CD 3.26Å; E1966-K1970 WeakPolarHBondContact O-CD 3.47Å; E1966-K1970 WeakPolarHBondContact O-CE 3.4Å; E1966-K1970 VanDerWaalsContact O-CG 3.23Å; E1966-K1970 WeakPolarHBondContact O-CG 3.31Å; E1966-K1970 PolarHBondContact O-N 3.22Å; E1966-K1970 VanDerWaalsContact O-N 3.1Å; E1966-K1970 IonicContact OE2-NZ 2.64Å; E1966-K1970 PolarHBondContact OE2-NZ 3Å; I1967-K1970 CarbonylContact O-C 3.51Å; I1967-K1970 WeakPolarHBondContact O-CA 3.28Å; I1967-K1970 WeakPolarHBondContact O-CB 3.37Å; I1967-K1970 PolarHBondContact O-N 2.98Å; I1967-K1970 VanDerWaalsContact O-N 3.13Å; V1968-K1970 VanDerWaalsContact C-N 3.25Å; V1968-K1970 PolarHBondContact O-N 3.15Å; K1970-A1972 VanDerWaalsContact C-N 3.32Å; K1970-A1972 PolarHBondContact O-N 2.8Å; K1970-S1973 WeakPolarHBondContact CA-OG 3.49Å; K1970-S1973 PolarHBondContact O-N 2.81Å; K1970-S1973 VanDerWaalsContact O-N 3.14Å; K1970-S1973 PolarHBondContact O-OG 3.13Å; K1970-E1974 PolarHBondContact O-N 3.2Å |
| 1971 | I | 65.5 | Low | 58.1 | Low | 62.6 Ų | 62.6 | 91 Ų | 91 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 176.2 | -65.5 | 166.7 | 0 | 0 | 0 | 111.4 | H1778 I1967 V1968 Q1969 S1973 E1974 R1975 | H1778-I1971 HydrophobicContact CB-CG1 4.31Å; I1967-I1971 HydrophobicContact CG2-CD1 3.65Å; I1967-I1971 HydrophobicContact CG2-CG1 4.42Å; I1967-I1971 WeakPolarHBondContact O-CB 3.32Å; I1967-I1971 WeakPolarHBondContact O-CD1 3.39Å; I1967-I1971 VanDerWaalsContact O-CG1 3.3Å; I1967-I1971 WeakPolarHBondContact O-CG1 3.33Å; I1967-I1971 PolarHBondContact O-N 3.21Å; V1968-I1971 PolarHBondContact O-N 2.95Å; V1968-I1971 VanDerWaalsContact O-N 3.15Å; Q1969-I1971 VanDerWaalsContact C-N 3.32Å; Q1969-I1971 PolarHBondContact O-N 3.38Å; I1971-S1973 VanDerWaalsContact C-N 3.29Å; I1971-S1973 PolarHBondContact O-N 2.76Å; I1971-E1974 CarbonylContact O-C 3.6Å; I1971-E1974 PolarHBondContact O-N 2.86Å; I1971-E1974 VanDerWaalsContact O-N 3.1Å; I1971-R1975 VanDerWaalsContact O-CG 3.3Å; I1971-R1975 WeakPolarHBondContact O-CG 3.34Å; I1971-R1975 PolarHBondContact O-N 2.74Å |
| 1972 | A | 61.2 | Low | 56.4 | Low | 46 Ų | 46 | 94 Ų | 94 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -32 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1968 Q1969 K1970 E1974 R1975 | V1968-A1972 HydrophobicContact CG1-CB 4.46Å; V1968-A1972 WeakPolarHBondContact O-CB 3.32Å; V1968-A1972 PolarHBondContact O-N 3.02Å; Q1969-A1972 PolarHBondContact O-N 2.83Å; K1970-A1972 VanDerWaalsContact C-N 3.32Å; K1970-A1972 PolarHBondContact O-N 2.8Å; A1972-E1974 VanDerWaalsContact C-N 3.3Å; A1972-E1974 PolarHBondContact O-N 2.97Å; A1972-R1975 WeakPolarHBondContact O-CG 3.43Å |
| 1973 | S | 59.3 | Low | 55 | Low | 87.6 Ų | 87.6 | 97.1 Ų | 97.1 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.3 | -24.3 | 176.2 | 55 | 0 | 0 | 0 | 0 | 113.9 | Q1969 K1970 I1971 | Q1969-S1973 WeakPolarHBondContact O-CB 3.3Å; Q1969-S1973 PolarHBondContact O-N 3.17Å; Q1969-S1973 PolarHBondContact O-OG 2.97Å; Q1969-S1973 VanDerWaalsContact O-OG 3.1Å; K1970-S1973 WeakPolarHBondContact CA-OG 3.49Å; K1970-S1973 PolarHBondContact O-N 2.81Å; K1970-S1973 VanDerWaalsContact O-N 3.14Å; K1970-S1973 PolarHBondContact O-OG 3.13Å; I1971-S1973 VanDerWaalsContact C-N 3.29Å; I1971-S1973 PolarHBondContact O-N 2.76Å |
| 1974 | E | 57.3 | Low | 53.5 | Low | 91.4 Ų | 91.4 | 101.6 Ų | 101.6 | 43% | 0.427 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 44.8 | -174.6 | -65.3 | -168.5 | 143.7 | 0 | 0 | 112.7 | H1778 L1782 R1786 K1970 I1971 A1972 V1976 | H1778-E1974 IonicContact CE1-OE2 2.79Å; H1778-E1974 IonicContact ND1-OE2 3.2Å; L1782-E1974 HydrophobicContact CD1-CB 4.06Å; L1782-E1974 HydrophobicContact CD1-CG 4.45Å; L1782-E1974 VanDerWaalsContact CD1-OE2 3.32Å; L1782-E1974 WeakPolarHBondContact CD1-OE2 3.45Å; R1786-E1974 IonicContact NH2-OE1 3.85Å; R1786-E1974 PolarHBondContact NH2-OE1 3.31Å; R1786-E1974 IonicContact NH2-OE2 2.65Å; R1786-E1974 PolarHBondContact NH2-OE2 2.83Å; K1970-E1974 PolarHBondContact O-N 3.2Å; I1971-E1974 CarbonylContact O-C 3.6Å; I1971-E1974 PolarHBondContact O-N 2.86Å; I1971-E1974 VanDerWaalsContact O-N 3.1Å; A1972-E1974 VanDerWaalsContact C-N 3.3Å; A1972-E1974 PolarHBondContact O-N 2.97Å; E1974-V1976 PolarHBondContact O-N 3.06Å |
| 1975 | R | 51.5 | Low | 52.1 | Low | 203.4 Ų | 203.4 | 106.2 Ų | 106.2 | 77% | 0.768 | 55% | 0.554 | S | S | * | * | trans | -63.2 | 87.6 | -178.7 | -72.9 | -175.2 | 179.4 | -177.6 | 0.3 | 113.6 | I1971 A1972 S1977 | I1971-R1975 VanDerWaalsContact O-CG 3.3Å; I1971-R1975 WeakPolarHBondContact O-CG 3.34Å; I1971-R1975 PolarHBondContact O-N 2.74Å; A1972-R1975 WeakPolarHBondContact O-CG 3.43Å; R1975-S1977 PolarHBondContact O-N 3.02Å | ||
| 1976 | V | 47.5 | Very low | 51.3 | Low | 76.4 Ų | 76.4 | 115.5 Ų | 115.5 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | trans | -73.7 | 115.6 | 163.5 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | L1782 E1974 F1978 | L1782-V1976 HydrophobicContact CD2-CB 4.34Å; L1782-V1976 HydrophobicContact CD2-CG2 3.5Å; L1782-V1976 VanDerWaalsContact CD2-CG2 3.49Å; E1974-V1976 PolarHBondContact O-N 3.06Å; V1976-F1978 HydrophobicContact CB-CD2 4.36Å; V1976-F1978 HydrophobicContact CB-CE2 4.09Å; V1976-F1978 HydrophobicContact CG1-CD2 4.3Å; V1976-F1978 HydrophobicContact CG1-CE2 4.11Å; V1976-F1978 HydrophobicContact CG1-CZ 4.2Å; V1976-F1978 WeakPolarHBondContact O-CD2 3.43Å; V1976-F1978 PolarHBondContact O-N 3.07Å; V1976-F1978 VanDerWaalsContact O-N 3.1Å | ||
| 1977 | S | 41 | Very low | 50.9 | Low | 103.4 Ų | 103.4 | 114.8 Ų | 114.8 | 72% | 0.723 | 58% | 0.584 | S | S | * | * | trans | -76.2 | 91.8 | 179.1 | -84.3 | 0 | 0 | 0 | 0 | 111.7 | R1975 R1979 | R1975-S1977 PolarHBondContact O-N 3.02Å; S1977-R1979 VanDerWaalsContact C-N 3.3Å; S1977-R1979 PolarHBondContact O-N 3Å; S1977-R1979 VanDerWaalsContact O-N 3.11Å | ||
| 1978 | F | 38.5 | Very low | 51.1 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | trans | -71.9 | 94.7 | 174.7 | -107.1 | -87.7 | 0 | 0 | 0 | 111.8 | T1785 V1976 A1980 F1981 | T1785-F1978 HydrophobicContact CG2-CE1 4.45Å; T1785-F1978 HydrophobicContact CG2-CE2 4.05Å; T1785-F1978 HydrophobicContact CG2-CZ 3.85Å; V1976-F1978 HydrophobicContact CB-CD2 4.36Å; V1976-F1978 HydrophobicContact CB-CE2 4.09Å; V1976-F1978 HydrophobicContact CG1-CD2 4.3Å; V1976-F1978 HydrophobicContact CG1-CE2 4.11Å; V1976-F1978 HydrophobicContact CG1-CZ 4.2Å; V1976-F1978 WeakPolarHBondContact O-CD2 3.43Å; V1976-F1978 PolarHBondContact O-N 3.07Å; V1976-F1978 VanDerWaalsContact O-N 3.1Å; F1978-A1980 HydrophobicContact CD1-CB 4.23Å; F1978-A1980 HydrophobicContact CE1-CB 3.9Å; F1978-A1980 HydrophobicContact CZ-CB 3.8Å; F1978-A1980 PolarHBondContact O-N 2.97Å; F1978-F1981 HydrophobicContact CD1-CD2 4.32Å; F1978-F1981 HydrophobicContact CD1-CE2 4.27Å; F1978-F1981 AromaticContact CE1-CD2 3.85Å; F1978-F1981 HydrophobicContact CE1-CD2 4.04Å; F1978-F1981 AromaticContact CE1-CE2 3.94Å; F1978-F1981 HydrophobicContact CE1-CE2 4.03Å; F1978-F1981 HydrophobicContact CZ-CE2 4.39Å | ||
| 1979 | R | 37.2 | Very low | 51.7 | Low | 219.4 Ų | 219.4 | 119.1 Ų | 119.1 | 83% | 0.828 | 60% | 0.604 | S | S | * | * | trans | -102 | 21.3 | 171 | -74.4 | -171.1 | 177.6 | -175.1 | -0.4 | 113.6 | S1977 F1981 S1982 | S1977-R1979 VanDerWaalsContact C-N 3.3Å; S1977-R1979 PolarHBondContact O-N 3Å; S1977-R1979 VanDerWaalsContact O-N 3.11Å; R1979-F1981 VanDerWaalsContact C-N 3.31Å; R1979-F1981 PolarHBondContact O-N 2.92Å; R1979-S1982 WeakPolarHBondContact O-CB 3.41Å; R1979-S1982 PolarHBondContact O-N 3.15Å; R1979-S1982 PolarHBondContact O-OG 3.24Å | ||
| 1980 | A | 37.9 | Very low | 52.6 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -14.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | F1978 | F1978-A1980 HydrophobicContact CD1-CB 4.23Å; F1978-A1980 HydrophobicContact CE1-CB 3.9Å; F1978-A1980 HydrophobicContact CZ-CB 3.8Å; F1978-A1980 PolarHBondContact O-N 2.97Å |
| 1981 | F | 37.8 | Very low | 53.6 | Low | 182.4 Ų | 182.4 | 111.9 Ų | 111.9 | 80% | 0.8 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 20 | -173.7 | -65.2 | -69.4 | 0 | 0 | 0 | 114.9 | F1978 R1979 Q1983 | F1978-F1981 HydrophobicContact CD1-CD2 4.32Å; F1978-F1981 HydrophobicContact CD1-CE2 4.27Å; F1978-F1981 AromaticContact CE1-CD2 3.85Å; F1978-F1981 HydrophobicContact CE1-CD2 4.04Å; F1978-F1981 AromaticContact CE1-CE2 3.94Å; F1978-F1981 HydrophobicContact CE1-CE2 4.03Å; F1978-F1981 HydrophobicContact CZ-CE2 4.39Å; R1979-F1981 VanDerWaalsContact C-N 3.31Å; R1979-F1981 PolarHBondContact O-N 2.92Å; F1981-Q1983 VanDerWaalsContact C-N 3.3Å; F1981-Q1983 PolarHBondContact O-N 3.06Å |
| 1982 | S | 32.6 | Very low | 54.9 | Low | 102.6 Ų | 102.6 | 110.9 Ų | 110.9 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | trans | -86.6 | 54.8 | 177.2 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | R1979 S1984 | R1979-S1982 WeakPolarHBondContact O-CB 3.41Å; R1979-S1982 PolarHBondContact O-N 3.15Å; R1979-S1982 PolarHBondContact O-OG 3.24Å; S1982-S1984 PolarHBondContact O-N 3.38Å | ||
| 1983 | Q | 36 | Very low | 56.4 | Low | 176.6 Ų | 176.6 | 110.4 Ų | 110.4 | 83% | 0.825 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -109 | 114.8 | 170.7 | -68.8 | -164.6 | -11.2 | 0 | 0 | 111 | F1981 N1985 | F1981-Q1983 VanDerWaalsContact C-N 3.3Å; F1981-Q1983 PolarHBondContact O-N 3.06Å; Q1983-N1985 PolarHBondContact O-N 3.1Å |
| 1984 | S | 38.3 | Very low | 58 | Low | 114.2 Ų | 114.2 | 109.2 Ų | 109.2 | 80% | 0.799 | 54% | 0.541 | S | S | * | . | trans | 39.9 | 75.8 | 176.5 | 64.8 | 0 | 0 | 0 | 0 | 117.5 | S1982 R1986 | S1982-S1984 PolarHBondContact O-N 3.38Å; S1984-R1986 VanDerWaalsContact C-N 3.33Å; S1984-R1986 PolarHBondContact O-N 2.85Å | ||
| 1985 | N | 42.1 | Very low | 59.8 | Low | 144.4 Ų | 144.4 | 107 Ų | 107 | 77% | 0.772 | 53% | 0.534 | S | S | * | . | trans | -77.4 | 92.4 | 162 | -87.1 | -11.7 | 0 | 0 | 0 | 110.7 | Q1983 L1987 | Q1983-N1985 PolarHBondContact O-N 3.1Å; N1985-L1987 VanDerWaalsContact C-N 3.33Å; N1985-L1987 HydrophobicContact CB-CG 4.3Å; N1985-L1987 PolarHBondContact O-N 2.82Å; N1985-L1987 VanDerWaalsContact O-N 3.12Å | ||
| 1986 | R | 53 | Low | 61.7 | Low | 233.6 Ų | 233.6 | 98 Ų | 98 | 88% | 0.882 | 50% | 0.501 | S | S | * | . | trans | -74.4 | 92 | 159.9 | -75.3 | -174.3 | 174 | -170.7 | -2.4 | 107.7 | S1984 I1988 | S1984-R1986 VanDerWaalsContact C-N 3.33Å; S1984-R1986 PolarHBondContact O-N 2.85Å; R1986-I1988 PolarHBondContact O-N 2.96Å | ||
| 1987 | L | 59.9 | Low | 63.6 | Low | 93.4 Ų | 93.4 | 102.5 Ų | 102.5 | 49% | 0.489 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 129.1 | 177.9 | -77.8 | 160.8 | 0 | 0 | 0 | 110.2 | N1985 F2035 | N1985-L1987 VanDerWaalsContact C-N 3.33Å; N1985-L1987 HydrophobicContact CB-CG 4.3Å; N1985-L1987 PolarHBondContact O-N 2.82Å; N1985-L1987 VanDerWaalsContact O-N 3.12Å; L1987-F2035 HydrophobicContact CB-CB 4.29Å; L1987-F2035 HydrophobicContact CB-CD1 4.35Å; L1987-F2035 HydrophobicContact CB-CG 4.49Å; L1987-F2035 HydrophobicContact CD1-CB 3.7Å; L1987-F2035 HydrophobicContact CD1-CG 4.48Å |
| 1988 | I | 72.3 | Confident | 65.9 | Low | 114.8 Ų | 114.8 | 99 Ų | 99 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 136.3 | 179.8 | -64.2 | 171.6 | 0 | 0 | 0 | 108.6 | L1932 R1986 Y1990 N2024 | L1932-I1988 HydrophobicContact CB-CG2 4.46Å; R1986-I1988 PolarHBondContact O-N 2.96Å; I1988-Y1990 WeakPolarHBondContact O-CD1 3.31Å; I1988-N2024 PolarHBondContact O-ND2 3.24Å; I1988-N2024 VanDerWaalsContact O-ND2 3.17Å |
| 1989 | L | 80.7 | Confident | 68.4 | Low | 26 Ų | 26 | 94.3 Ų | 94.3 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136.6 | 171.5 | -67.1 | 178 | 0 | 0 | 0 | 109.9 | K1927 Y1931 L1932 N2024 R2025 | K1927-L1989 HydrophobicContact CB-CD1 4.49Å; K1927-L1989 HydrophobicContact CD-CD2 4.16Å; Y1931-L1989 CarbonylContact C-O 3.54Å; Y1931-L1989 VanDerWaalsContact CA-O 3.23Å; Y1931-L1989 WeakPolarHBondContact CA-O 3.4Å; Y1931-L1989 WeakPolarHBondContact CB-O 3.41Å; L1932-L1989 PolarHBondContact N-O 3.08Å; L1989-N2024 VanDerWaalsContact CA-OD1 3.32Å; L1989-N2024 WeakPolarHBondContact CA-OD1 3.34Å; L1989-R2025 HydrophobicContact CB-CG 4.15Å; L1989-R2025 HydrophobicContact CD2-CG 4.36Å |
| 1990 | Y | 86.7 | Confident | 70.9 | Confident | 67.2 Ų | 67.2 | 84.6 Ų | 84.6 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.4 | -178.6 | 60.8 | -103.2 | 0 | 0 | 0 | 113.9 | L1932 I1988 L1992 S2023 N2024 V2038 | L1932-Y1990 CarbonylContact O-C 3.54Å; L1932-Y1990 VanDerWaalsContact O-CA 3.23Å; L1932-Y1990 WeakPolarHBondContact O-CA 3.29Å; I1988-Y1990 WeakPolarHBondContact O-CD1 3.31Å; Y1990-L1992 HydrophobicContact CD2-CD1 4.02Å; Y1990-L1992 HydrophobicContact CD2-CD2 4.44Å; Y1990-L1992 HydrophobicContact CD2-CG 3.92Å; Y1990-L1992 HydrophobicContact CE2-CD1 4.17Å; Y1990-L1992 HydrophobicContact CE2-CG 4.41Å; Y1990-L1992 HydrophobicContact CG-CD1 4.49Å; Y1990-S2023 WeakPolarHBondContact O-CA 3.45Å; Y1990-S2023 WeakPolarHBondContact O-CB 3.46Å; Y1990-S2023 PolarHBondContact O-OG 3.09Å; Y1990-N2024 WeakPolarHBondContact CD1-ND2 3.4Å; Y1990-N2024 HydrophobicContact CE1-CB 4.26Å; Y1990-N2024 WeakPolarHBondContact CE1-ND2 3.36Å; Y1990-N2024 PolarHBondContact N-OD1 3.18Å; Y1990-N2024 PolarHBondContact O-N 2.96Å; Y1990-N2024 PolarHBondContact O-OD1 3.18Å; Y1990-V2038 HydrophobicContact CE2-CG1 4.46Å; Y1990-V2038 VanDerWaalsContact OH-CG2 3.28Å; Y1990-V2038 WeakPolarHBondContact OH-CG2 3.35Å |
| 1991 | S | 89.8 | Confident | 73.4 | Confident | 2.6 Ų | 2.6 | 84 Ų | 84 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.2 | 161.6 | -106.8 | 0 | 0 | 0 | 0 | 107.4 | L1932 N1933 I1934 H2021 F2022 S2023 | L1932-S1991 PolarHBondContact O-N 3.09Å; N1933-S1991 CarbonylContact C-O 3.58Å; N1933-S1991 WeakPolarHBondContact CA-O 3.4Å; N1933-S1991 VanDerWaalsContact OD1-CB 3.27Å; N1933-S1991 WeakPolarHBondContact OD1-CB 3.41Å; N1933-S1991 PolarHBondContact OD1-O 2.87Å; I1934-S1991 PolarHBondContact N-O 3.02Å; S1991-H2021 PolarHBondContact OG-NE2 3.19Å; S1991-H2021 VanDerWaalsContact OG-NE2 3.12Å; S1991-F2022 CarbonylContact C-O 3.55Å; S1991-F2022 WeakPolarHBondContact CA-O 3.42Å; S1991-S2023 PolarHBondContact OG-OG 2.8Å |
| 1992 | L | 92 | Very high | 75.8 | Confident | 42.4 Ų | 42.4 | 75.7 Ų | 75.7 | 22% | 0.222 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 112.7 | 180 | -55.8 | 171.7 | 0 | 0 | 0 | 108.6 | I1934 Y1990 F1994 H2021 F2022 | I1934-L1992 HydrophobicContact CB-CD2 3.77Å; I1934-L1992 HydrophobicContact CD1-CD2 3.79Å; I1934-L1992 HydrophobicContact CG1-CD2 3.86Å; I1934-L1992 HydrophobicContact CG2-CD2 4.03Å; I1934-L1992 CarbonylContact O-C 3.53Å; I1934-L1992 WeakPolarHBondContact O-CA 3.4Å; Y1990-L1992 HydrophobicContact CD2-CD1 4.02Å; Y1990-L1992 HydrophobicContact CD2-CD2 4.44Å; Y1990-L1992 HydrophobicContact CD2-CG 3.92Å; Y1990-L1992 HydrophobicContact CE2-CD1 4.17Å; Y1990-L1992 HydrophobicContact CE2-CG 4.41Å; Y1990-L1992 HydrophobicContact CG-CD1 4.49Å; L1992-F1994 HydrophobicContact CB-CD2 4.44Å; L1992-F1994 HydrophobicContact CB-CE2 3.76Å; L1992-F1994 HydrophobicContact CB-CZ 4.28Å; L1992-F1994 HydrophobicContact CD1-CE2 4.38Å; L1992-F1994 HydrophobicContact CD1-CZ 4.44Å; L1992-F1994 HydrophobicContact CD2-CZ 4.34Å; L1992-H2021 CarbonylContact O-C 3.55Å; L1992-H2021 WeakPolarHBondContact O-CA 3.33Å; L1992-F2022 HydrophobicContact CB-CB 4.36Å; L1992-F2022 PolarHBondContact N-O 2.92Å; L1992-F2022 PolarHBondContact O-N 3Å |
| 1993 | T | 93.6 | Very high | 78.5 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.4 | 176.2 | -38.1 | 0 | 0 | 0 | 0 | 109.3 | I1934 D1935 A1936 T1995 L2020 | I1934-T1993 PolarHBondContact O-N 3.08Å; D1935-T1993 CarbonylContact C-O 3.56Å; D1935-T1993 WeakPolarHBondContact CA-O 3.36Å; D1935-T1993 VanDerWaalsContact OD1-CB 3.28Å; D1935-T1993 WeakPolarHBondContact OD1-CB 3.34Å; D1935-T1993 PolarHBondContact OD1-OG1 3.08Å; A1936-T1993 PolarHBondContact N-O 3.07Å; T1993-T1995 HydrophobicContact CG2-CG2 4.34Å; T1993-L2020 CarbonylContact C-O 3.52Å; T1993-L2020 WeakPolarHBondContact CA-O 3.26Å |
| 1994 | F | 93 | Very high | 80.9 | Confident | 63.8 Ų | 63.8 | 64 Ų | 64 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.6 | 171.3 | -57.8 | -92.3 | 0 | 0 | 0 | 109.6 | A1936 I1938 L1992 R2019 L2020 F2022 | A1936-F1994 HydrophobicContact CB-CD1 3.69Å; A1936-F1994 HydrophobicContact CB-CE1 4.05Å; A1936-F1994 HydrophobicContact CB-CG 4.46Å; A1936-F1994 CarbonylContact O-C 3.53Å; A1936-F1994 WeakPolarHBondContact O-CA 3.3Å; I1938-F1994 HydrophobicContact CD1-CD1 4.18Å; L1992-F1994 HydrophobicContact CB-CD2 4.44Å; L1992-F1994 HydrophobicContact CB-CE2 3.76Å; L1992-F1994 HydrophobicContact CB-CZ 4.28Å; L1992-F1994 HydrophobicContact CD1-CE2 4.38Å; L1992-F1994 HydrophobicContact CD1-CZ 4.44Å; L1992-F1994 HydrophobicContact CD2-CZ 4.34Å; F1994-R2019 CarbonylContact O-C 3.56Å; F1994-R2019 WeakPolarHBondContact O-CA 3.44Å; F1994-L2020 HydrophobicContact CB-CB 4.24Å; F1994-L2020 PolarHBondContact N-O 2.99Å; F1994-L2020 PolarHBondContact O-N 3.18Å; F1994-F2022 AromaticContact CD2-CD2 3.8Å; F1994-F2022 HydrophobicContact CD2-CD2 3.8Å; F1994-F2022 AromaticContact CD2-CE2 3.82Å; F1994-F2022 HydrophobicContact CD2-CE2 3.82Å; F1994-F2022 AromaticContact CE2-CD2 3.77Å; F1994-F2022 HydrophobicContact CE2-CD2 3.77Å; F1994-F2022 AromaticContact CE2-CE2 3.97Å; F1994-F2022 HydrophobicContact CE2-CE2 4Å |
| 1995 | T | 93.7 | Very high | 83 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 103.6 | 177 | 18.3 | 0 | 0 | 0 | 0 | 109.2 | A1936 E1937 I1938 T1993 V2018 R2019 | A1936-T1995 PolarHBondContact O-N 2.96Å; A1936-T1995 PolarHBondContact O-OG1 2.82Å; A1936-T1995 VanDerWaalsContact O-OG1 3.1Å; E1937-T1995 WeakPolarHBondContact CA-OG1 3.42Å; I1938-T1995 PolarHBondContact N-O 2.93Å; T1993-T1995 HydrophobicContact CG2-CG2 4.34Å; T1995-V2018 CarbonylContact C-O 3.55Å; T1995-V2018 WeakPolarHBondContact CA-O 3.46Å; T1995-R2019 HydrophobicContact CG2-CG 4.34Å |
| 1996 | V | 91.4 | Very high | 84.5 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.4 | 175.9 | -162.7 | 0 | 0 | 0 | 0 | 108.8 | I1938 I1941 V1999 V2018 | I1938-V1996 HydrophobicContact CB-CB 4.42Å; I1938-V1996 HydrophobicContact CB-CG1 4.25Å; I1938-V1996 HydrophobicContact CB-CG2 4.21Å; I1938-V1996 HydrophobicContact CD1-CG2 4.3Å; I1938-V1996 HydrophobicContact CG2-CG1 4.07Å; I1938-V1996 CarbonylContact O-C 3.59Å; I1938-V1996 VanDerWaalsContact O-CA 3.31Å; I1938-V1996 WeakPolarHBondContact O-CA 3.33Å; I1941-V1996 HydrophobicContact CD1-CG1 4.31Å; I1941-V1996 HydrophobicContact CG1-CG1 4.45Å; V1996-V1999 HydrophobicContact CB-CG2 4.45Å; V1996-V1999 HydrophobicContact CG1-CG2 3.85Å; V1996-V2018 HydrophobicContact CB-CB 4.08Å; V1996-V2018 HydrophobicContact CG2-CB 4.42Å; V1996-V2018 PolarHBondContact N-O 3.12Å; V1996-V2018 PolarHBondContact O-N 3.21Å; V1996-V2018 VanDerWaalsContact O-N 3.11Å |
| 1997 | W | 88.6 | Confident | 85.6 | Confident | 172.6 Ų | 172.6 | 44.9 Ų | 44.9 | 65% | 0.654 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62 | -54.6 | -174.9 | -74.7 | 32 | 0 | 0 | 0 | 111.9 | I1938 Q2017 | I1938-W1997 VanDerWaalsContact O-CD1 3.29Å; I1938-W1997 PolarHBondContact O-N 3.11Å; W1997-Q2017 PolarHBondContact O-N 3Å; W1997-Q2017 VanDerWaalsContact O-N 3.13Å |
| 1998 | S | 89.4 | Confident | 86.7 | Confident | 29.8 Ų | 29.8 | 41.8 Ų | 41.8 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 143.7 | 174.2 | 63.6 | 0 | 0 | 0 | 0 | 111 | A1940 I1941 A2015 | A1940-S1998 CarbonylContact C-O 3.52Å; A1940-S1998 VanDerWaalsContact CA-O 3.31Å; A1940-S1998 WeakPolarHBondContact CA-O 3.33Å; A1940-S1998 VanDerWaalsContact CB-OG 3.28Å; A1940-S1998 WeakPolarHBondContact CB-OG 3.39Å; I1941-S1998 PolarHBondContact N-O 2.81Å; S1998-A2015 CarbonylContact C-O 3.56Å; S1998-A2015 VanDerWaalsContact CA-O 3.27Å; S1998-A2015 WeakPolarHBondContact CA-O 3.39Å |
| 1999 | V | 89.7 | Confident | 87.4 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 19% | 0.194 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.8 | 169.1 | -176 | 0 | 0 | 0 | 0 | 107.9 | I1941 V1996 I2001 E2014 A2015 | I1941-V1999 HydrophobicContact CB-CB 4.46Å; I1941-V1999 HydrophobicContact CB-CG1 4.25Å; I1941-V1999 HydrophobicContact CB-CG2 4.36Å; I1941-V1999 HydrophobicContact CD1-CG2 4.17Å; I1941-V1999 HydrophobicContact CG2-CG1 4.31Å; I1941-V1999 CarbonylContact O-C 3.52Å; I1941-V1999 WeakPolarHBondContact O-CA 3.35Å; V1996-V1999 HydrophobicContact CB-CG2 4.45Å; V1996-V1999 HydrophobicContact CG1-CG2 3.85Å; V1999-I2001 HydrophobicContact CG1-CD1 4.21Å; V1999-I2001 HydrophobicContact CG1-CG1 4.16Å; V1999-E2014 CarbonylContact O-C 3.55Å; V1999-E2014 VanDerWaalsContact O-CA 3.28Å; V1999-E2014 WeakPolarHBondContact O-CA 3.34Å; V1999-A2015 HydrophobicContact CB-CB 4.36Å; V1999-A2015 PolarHBondContact N-O 2.92Å; V1999-A2015 PolarHBondContact O-N 3Å |
| 2000 | S | 90.5 | Very high | 87.8 | Confident | 16.4 Ų | 16.4 | 35.6 Ų | 35.6 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 107.9 | 178.3 | -177 | 0 | 0 | 0 | 0 | 109.8 | I1941 R1942 H1943 R2012 L2013 | I1941-S2000 PolarHBondContact O-N 3.16Å; R1942-S2000 WeakPolarHBondContact CA-O 3.35Å; H1943-S2000 PolarHBondContact N-O 3Å; S2000-R2012 WeakPolarHBondContact OG-CD 3.49Å; S2000-L2013 CarbonylContact C-O 3.55Å; S2000-L2013 VanDerWaalsContact CA-O 3.31Å; S2000-L2013 WeakPolarHBondContact CA-O 3.37Å |
| 2001 | I | 89.8 | Confident | 88 | Confident | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.297 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.2 | 177.7 | -60.3 | 172.5 | 0 | 0 | 0 | 107.6 | H1943 L1945 V1999 R2012 L2013 | H1943-I2001 CarbonylContact O-C 3.31Å; H1943-I2001 WeakPolarHBondContact O-CA 3.42Å; L1945-I2001 HydrophobicContact CD1-CG2 3.69Å; L1945-I2001 HydrophobicContact CG-CG2 4.26Å; V1999-I2001 HydrophobicContact CG1-CD1 4.21Å; V1999-I2001 HydrophobicContact CG1-CG1 4.16Å; I2001-R2012 CarbonylContact O-C 3.5Å; I2001-R2012 WeakPolarHBondContact O-CA 3.35Å; I2001-L2013 HydrophobicContact CB-CB 4.47Å; I2001-L2013 PolarHBondContact N-O 3.09Å; I2001-L2013 PolarHBondContact O-N 2.84Å |
| 2002 | T | 89.1 | Confident | 88.1 | Confident | 7.4 Ų | 7.4 | 35.9 Ų | 35.9 | 5% | 0.045 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 107.8 | 178.6 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | H1943 T1944 L1945 T2004 A2010 V2011 R2012 L2053 | H1943-T2002 PolarHBondContact O-N 3.09Å; T1944-T2002 CarbonylContact C-O 3.56Å; T1944-T2002 VanDerWaalsContact CA-O 3.29Å; T1944-T2002 WeakPolarHBondContact CA-O 3.4Å; L1945-T2002 PolarHBondContact N-O 2.83Å; T2002-T2004 HydrophobicContact CG2-CG2 3.81Å; T2002-A2010 HydrophobicContact CG2-CB 4.02Å; T2002-V2011 CarbonylContact C-O 3.56Å; T2002-V2011 WeakPolarHBondContact CA-O 3.29Å; T2002-R2012 HydrophobicContact CG2-CB 4.38Å; T2002-R2012 WeakPolarHBondContact OG1-CG 3.38Å; T2002-R2012 PolarHBondContact OG1-NE 3.04Å; T2002-R2012 VanDerWaalsContact OG1-NE 3.1Å; T2002-L2053 HydrophobicContact CG2-CD1 4.35Å |
| 2003 | A | 88.3 | Confident | 88.2 | Confident | 19.8 Ų | 19.8 | 37 Ų | 37 | 16% | 0.164 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1945 A2010 V2011 Y2141 | L1945-A2003 CarbonylContact O-C 3.57Å; L1945-A2003 WeakPolarHBondContact O-CA 3.38Å; A2003-A2010 CarbonylContact O-C 3.56Å; A2003-A2010 WeakPolarHBondContact O-CA 3.33Å; A2003-A2010 VanDerWaalsContact O-CB 3.27Å; A2003-A2010 WeakPolarHBondContact O-CB 3.36Å; A2003-V2011 HydrophobicContact CB-CB 4.45Å; A2003-V2011 PolarHBondContact N-O 3.04Å; A2003-V2011 PolarHBondContact O-N 3.16Å; A2003-Y2141 WeakPolarHBondContact CA-OH 3.23Å; A2003-Y2141 HydrophobicContact CB-CE1 4.41Å; A2003-Y2141 HydrophobicContact CB-CE2 4.4Å; A2003-Y2141 WeakPolarHBondContact CB-OH 3.34Å |
| 2004 | T | 86.2 | Confident | 88.1 | Confident | 13.6 Ų | 13.6 | 36.8 Ų | 36.8 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140 | -172 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | T1944 L1945 T1946 T1947 T2002 I2009 A2010 L2053 Y2141 | T1944-T2004 HydrophobicContact CG2-CG2 3.79Å; L1945-T2004 PolarHBondContact O-N 3.01Å; L1945-T2004 VanDerWaalsContact O-N 3.13Å; L1945-T2004 PolarHBondContact O-OG1 2.92Å; T1946-T2004 WeakPolarHBondContact CA-OG1 3.42Å; T1947-T2004 PolarHBondContact N-O 3.12Å; T2002-T2004 HydrophobicContact CG2-CG2 3.81Å; T2004-I2009 CarbonylContact C-O 3.52Å; T2004-I2009 WeakPolarHBondContact CA-O 3.32Å; T2004-A2010 HydrophobicContact CG2-CB 3.98Å; T2004-L2053 HydrophobicContact CG2-CD1 3.52Å; T2004-L2053 VanDerWaalsContact CG2-CD1 3.47Å; T2004-Y2141 PolarHBondContact N-OH 3.11Å; T2004-Y2141 VanDerWaalsContact N-OH 3.09Å; T2004-Y2141 WeakPolarHBondContact O-CE2 3.4Å; T2004-Y2141 PolarHBondContact O-OH 2.93Å |
| 2005 | T | 82.5 | Confident | 88.1 | Confident | 7.6 Ų | 7.6 | 34.3 Ų | 34.3 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | trans | -94 | 161.4 | 170.7 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | T2007 A2008 I2009 L2137 N2140 Y2141 | T2005-T2007 PolarHBondContact O-N 3.12Å; T2005-T2007 VanDerWaalsContact O-N 3.14Å; T2005-T2007 PolarHBondContact OG1-N 3.08Å; T2005-T2007 PolarHBondContact OG1-OG1 2.89Å; T2005-T2007 VanDerWaalsContact OG1-OG1 3.14Å; T2005-A2008 WeakPolarHBondContact O-CA 3.3Å; T2005-A2008 PolarHBondContact O-N 3.03Å; T2005-A2008 PolarHBondContact OG1-N 2.84Å; T2005-I2009 HydrophobicContact CG2-CB 4.26Å; T2005-I2009 PolarHBondContact N-O 3.04Å; T2005-I2009 WeakPolarHBondContact OG1-CB 3.38Å; T2005-I2009 PolarHBondContact OG1-N 2.9Å; T2005-I2009 VanDerWaalsContact OG1-N 3.13Å; T2005-I2009 PolarHBondContact OG1-O 2.98Å; T2005-I2009 VanDerWaalsContact OG1-O 3.13Å; T2005-L2137 HydrophobicContact CG2-CB 4.35Å; T2005-L2137 HydrophobicContact CG2-CD1 4.22Å; T2005-L2137 HydrophobicContact CG2-CG 4.24Å; T2005-N2140 HydrophobicContact CG2-CB 4.02Å; T2005-Y2141 HydrophobicContact CG2-CD2 4.44Å; T2005-Y2141 HydrophobicContact CG2-CE2 4.29Å | ||
| 2006 | P | 75 | Confident | 88 | Confident | 56 Ų | 56 | 36.8 Ų | 36.8 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.9 | 173.4 | -25.6 | 35.6 | 0 | 0 | 0 | 114.3 | T1947 A2008 L2422 | T1947-P2006 HydrophobicContact CG2-CG 4.3Å; P2006-A2008 VanDerWaalsContact C-N 3.29Å; P2006-A2008 PolarHBondContact O-N 3.09Å; P2006-A2008 VanDerWaalsContact O-N 3.11Å; P2006-L2422 HydrophobicContact CB-CD2 3.76Å |
| 2007 | T | 76.4 | Confident | 87.8 | Confident | 27.2 Ų | 27.2 | 40.8 Ų | 40.8 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 12.4 | 174.9 | 39.2 | 0 | 0 | 0 | 0 | 113.9 | T2005 I2009 L2422 Q2423 E2426 | T2005-T2007 PolarHBondContact O-N 3.12Å; T2005-T2007 VanDerWaalsContact O-N 3.14Å; T2005-T2007 PolarHBondContact OG1-N 3.08Å; T2005-T2007 PolarHBondContact OG1-OG1 2.89Å; T2005-T2007 VanDerWaalsContact OG1-OG1 3.14Å; T2007-I2009 VanDerWaalsContact C-N 3.26Å; T2007-I2009 PolarHBondContact O-N 2.82Å; T2007-I2009 VanDerWaalsContact O-N 3.14Å; T2007-L2422 HydrophobicContact CG2-CB 4.18Å; T2007-L2422 HydrophobicContact CG2-CD2 3.77Å; T2007-L2422 HydrophobicContact CG2-CG 3.74Å; T2007-Q2423 HydrophobicContact CG2-CB 4.49Å; T2007-Q2423 HydrophobicContact CG2-CG 3.64Å; T2007-E2426 VanDerWaalsContact CB-OE1 3.28Å; T2007-E2426 WeakPolarHBondContact CB-OE1 3.3Å; T2007-E2426 VanDerWaalsContact CB-OE2 3.28Å; T2007-E2426 WeakPolarHBondContact CB-OE2 3.39Å; T2007-E2426 HydrophobicContact CG2-CG 4.41Å; T2007-E2426 VanDerWaalsContact CG2-OE1 3.32Å; T2007-E2426 WeakPolarHBondContact CG2-OE1 3.06Å; T2007-E2426 WeakPolarHBondContact CG2-OE2 3.2Å; T2007-E2426 VanDerWaalsContact OG1-CD 3.23Å; T2007-E2426 PolarHBondContact OG1-OE1 2.82Å; T2007-E2426 PolarHBondContact OG1-OE2 2.89Å |
| 2008 | A | 82 | Confident | 87.9 | Confident | 29.4 Ų | 29.4 | 33.2 Ų | 33.2 | 24% | 0.243 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 63 | 14.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T2005 P2006 Q2052 L2053 | T2005-A2008 WeakPolarHBondContact O-CA 3.3Å; T2005-A2008 PolarHBondContact O-N 3.03Å; T2005-A2008 PolarHBondContact OG1-N 2.84Å; P2006-A2008 VanDerWaalsContact C-N 3.29Å; P2006-A2008 PolarHBondContact O-N 3.09Å; P2006-A2008 VanDerWaalsContact O-N 3.11Å; A2008-Q2052 HydrophobicContact CB-CG 4.46Å; A2008-Q2052 CarbonylContact O-C 3.54Å; A2008-Q2052 VanDerWaalsContact O-CA 3.31Å; A2008-Q2052 WeakPolarHBondContact O-CA 3.34Å; A2008-Q2052 WeakPolarHBondContact O-CG 3.21Å; A2008-L2053 HydrophobicContact CB-CB 4.37Å; A2008-L2053 WeakPolarHBondContact CB-O 3.27Å; A2008-L2053 PolarHBondContact O-N 3.01Å |
| 2009 | I | 86.3 | Confident | 88.1 | Confident | 9.2 Ų | 9.2 | 37.7 Ų | 37.7 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135.2 | 166.8 | -57.6 | 173 | 0 | 0 | 0 | 107.5 | T2004 T2005 T2007 L2050 K2133 L2136 L2137 | T2004-I2009 CarbonylContact C-O 3.52Å; T2004-I2009 WeakPolarHBondContact CA-O 3.32Å; T2005-I2009 HydrophobicContact CG2-CB 4.26Å; T2005-I2009 PolarHBondContact N-O 3.04Å; T2005-I2009 WeakPolarHBondContact OG1-CB 3.38Å; T2005-I2009 PolarHBondContact OG1-N 2.9Å; T2005-I2009 VanDerWaalsContact OG1-N 3.13Å; T2005-I2009 PolarHBondContact OG1-O 2.98Å; T2005-I2009 VanDerWaalsContact OG1-O 3.13Å; T2007-I2009 VanDerWaalsContact C-N 3.26Å; T2007-I2009 PolarHBondContact O-N 2.82Å; T2007-I2009 VanDerWaalsContact O-N 3.14Å; I2009-L2050 HydrophobicContact CG2-CD1 4.25Å; I2009-K2133 HydrophobicContact CD1-CG 4.47Å; I2009-K2133 HydrophobicContact CG2-CB 4.02Å; I2009-K2133 HydrophobicContact CG2-CG 4.4Å; I2009-L2136 HydrophobicContact CD1-CB 3.75Å; I2009-L2136 HydrophobicContact CD1-CD1 3.68Å; I2009-L2136 HydrophobicContact CD1-CG 4.38Å; I2009-L2137 HydrophobicContact CG2-CB 4.31Å; I2009-L2137 HydrophobicContact CG2-CD1 4.18Å |
| 2010 | A | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T2002 A2003 T2004 G2051 L2053 F2077 | T2002-A2010 HydrophobicContact CG2-CB 4.02Å; A2003-A2010 CarbonylContact O-C 3.56Å; A2003-A2010 WeakPolarHBondContact O-CA 3.33Å; A2003-A2010 VanDerWaalsContact O-CB 3.27Å; A2003-A2010 WeakPolarHBondContact O-CB 3.36Å; T2004-A2010 HydrophobicContact CG2-CB 3.98Å; A2010-G2051 PolarHBondContact N-O 3.07Å; A2010-G2051 PolarHBondContact O-N 3.24Å; A2010-L2053 HydrophobicContact CB-CD1 3.83Å; A2010-L2053 HydrophobicContact CB-CG 3.96Å; A2010-F2077 HydrophobicContact CB-CD2 4.39Å; A2010-F2077 HydrophobicContact CB-CE2 3.89Å; A2010-F2077 WeakPolarHBondContact O-CE2 3.38Å |
| 2011 | V | 91.8 | Very high | 88.3 | Confident | 34.8 Ų | 34.8 | 39.2 Ų | 39.2 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.9 | 165.1 | 164.5 | 0 | 0 | 0 | 0 | 107.9 | T2002 A2003 L2048 A2049 L2050 L2137 | T2002-V2011 CarbonylContact C-O 3.56Å; T2002-V2011 WeakPolarHBondContact CA-O 3.29Å; A2003-V2011 HydrophobicContact CB-CB 4.45Å; A2003-V2011 PolarHBondContact N-O 3.04Å; A2003-V2011 PolarHBondContact O-N 3.16Å; V2011-L2048 HydrophobicContact CG1-CD1 3.62Å; V2011-A2049 CarbonylContact C-O 3.54Å; V2011-A2049 VanDerWaalsContact CA-O 3.3Å; V2011-A2049 WeakPolarHBondContact CA-O 3.38Å; V2011-L2050 HydrophobicContact CG2-CB 4.24Å; V2011-L2050 HydrophobicContact CG2-CD1 3.57Å; V2011-L2050 HydrophobicContact CG2-CG 4.43Å; V2011-L2137 HydrophobicContact CB-CD1 4.22Å; V2011-L2137 HydrophobicContact CB-CD2 4.29Å; V2011-L2137 HydrophobicContact CG2-CD1 3.77Å; V2011-L2137 VanDerWaalsContact CG2-CD1 3.46Å; V2011-L2137 HydrophobicContact CG2-CD2 3.8Å; V2011-L2137 HydrophobicContact CG2-CG 4.41Å |
| 2012 | R | 91.9 | Very high | 88.3 | Confident | 42.6 Ų | 42.6 | 39.7 Ų | 39.7 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126 | 175.5 | -172.7 | -180 | -69.3 | 177.6 | -1.4 | 110.4 | S2000 I2001 T2002 E2014 L2048 A2049 F2077 | S2000-R2012 WeakPolarHBondContact OG-CD 3.49Å; I2001-R2012 CarbonylContact O-C 3.5Å; I2001-R2012 WeakPolarHBondContact O-CA 3.35Å; T2002-R2012 HydrophobicContact CG2-CB 4.38Å; T2002-R2012 WeakPolarHBondContact OG1-CG 3.38Å; T2002-R2012 PolarHBondContact OG1-NE 3.04Å; T2002-R2012 VanDerWaalsContact OG1-NE 3.1Å; R2012-E2014 VanDerWaalsContact CD-CD 3.41Å; R2012-E2014 WeakPolarHBondContact CD-OE1 3.35Å; R2012-E2014 HydrophobicContact CG-CG 3.97Å; R2012-E2014 IonicContact CZ-OE1 3.12Å; R2012-E2014 IonicContact NE-OE1 3.57Å; R2012-E2014 IonicContact NH1-OE1 3.12Å; R2012-E2014 PolarHBondContact NH1-OE1 3.02Å; R2012-L2048 CarbonylContact O-C 3.52Å; R2012-L2048 WeakPolarHBondContact O-CA 3.16Å; R2012-A2049 PolarHBondContact N-O 3.03Å; R2012-A2049 PolarHBondContact O-N 2.94Å; R2012-F2077 HydrophobicContact CB-CD1 4.45Å; R2012-F2077 HydrophobicContact CB-CE1 4Å; R2012-F2077 HydrophobicContact CB-CE2 4.43Å; R2012-F2077 HydrophobicContact CB-CZ 4.11Å |
| 2013 | L | 93.4 | Very high | 88.1 | Confident | 64.6 Ų | 64.6 | 39.4 Ų | 39.4 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 106.6 | 169.8 | 179.5 | 68.3 | 0 | 0 | 0 | 108.3 | S2000 I2001 L2046 L2048 | S2000-L2013 CarbonylContact C-O 3.55Å; S2000-L2013 VanDerWaalsContact CA-O 3.31Å; S2000-L2013 WeakPolarHBondContact CA-O 3.37Å; I2001-L2013 HydrophobicContact CB-CB 4.47Å; I2001-L2013 PolarHBondContact N-O 3.09Å; I2001-L2013 PolarHBondContact O-N 2.84Å; L2013-L2046 HydrophobicContact CD1-CD1 3.79Å; L2013-L2046 HydrophobicContact CD1-CG 4.39Å; L2013-L2048 HydrophobicContact CB-CD1 4.33Å; L2013-L2048 HydrophobicContact CD1-CB 4.34Å; L2013-L2048 HydrophobicContact CD1-CD1 4.17Å |
| 2014 | E | 92.5 | Very high | 87.7 | Confident | 29.6 Ų | 29.6 | 39.1 Ų | 39.1 | 14% | 0.138 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.5 | 172.9 | -77.1 | 158.7 | 171.9 | 0 | 0 | 108.5 | V1999 R2012 L2046 S2047 R2079 | V1999-E2014 CarbonylContact O-C 3.55Å; V1999-E2014 VanDerWaalsContact O-CA 3.28Å; V1999-E2014 WeakPolarHBondContact O-CA 3.34Å; R2012-E2014 VanDerWaalsContact CD-CD 3.41Å; R2012-E2014 WeakPolarHBondContact CD-OE1 3.35Å; R2012-E2014 HydrophobicContact CG-CG 3.97Å; R2012-E2014 IonicContact CZ-OE1 3.12Å; R2012-E2014 IonicContact NE-OE1 3.57Å; R2012-E2014 IonicContact NH1-OE1 3.12Å; R2012-E2014 PolarHBondContact NH1-OE1 3.02Å; E2014-L2046 CarbonylContact O-C 3.51Å; E2014-S2047 WeakPolarHBondContact CB-O 3.35Å; E2014-S2047 PolarHBondContact N-O 3.05Å; E2014-S2047 CarbonylContact O-C 3.5Å; E2014-S2047 WeakPolarHBondContact O-CA 3.4Å; E2014-S2047 PolarHBondContact O-N 3.1Å; E2014-S2047 VanDerWaalsContact O-O 3.08Å; E2014-S2047 PolarHBondContact OE2-OG 3.09Å; E2014-R2079 IonicContact OE1-NH2 3.29Å; E2014-R2079 PolarHBondContact OE1-NH2 3.09Å; E2014-R2079 IonicContact OE2-CZ 2.68Å; E2014-R2079 IonicContact OE2-NH2 3.27Å; E2014-R2079 PolarHBondContact OE2-NH2 2.86Å |
| 2015 | A | 92.8 | Very high | 87.2 | Confident | 11.2 Ų | 11.2 | 39.5 Ų | 39.5 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 111.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1998 V1999 V2018 A2045 L2046 | S1998-A2015 CarbonylContact C-O 3.56Å; S1998-A2015 VanDerWaalsContact CA-O 3.27Å; S1998-A2015 WeakPolarHBondContact CA-O 3.39Å; V1999-A2015 HydrophobicContact CB-CB 4.36Å; V1999-A2015 PolarHBondContact N-O 2.92Å; V1999-A2015 PolarHBondContact O-N 3Å; A2015-V2018 HydrophobicContact CB-CG2 3.88Å; A2015-A2045 CarbonylContact C-O 3.54Å; A2015-A2045 VanDerWaalsContact CA-O 3.31Å; A2015-A2045 WeakPolarHBondContact CA-O 3.38Å; A2015-L2046 HydrophobicContact CB-CD1 4.3Å |
| 2016 | E | 90.3 | Very high | 86.3 | Confident | 97 Ų | 97 | 39.9 Ų | 39.9 | 45% | 0.453 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 152.5 | -177.2 | -62.2 | -177.2 | 164.7 | 0 | 0 | 111.4 | V2018 A2045 R2084 | E2016-V2018 VanDerWaalsContact C-N 3.28Å; E2016-V2018 PolarHBondContact O-N 3.06Å; E2016-A2045 HydrophobicContact CB-CB 4.29Å; E2016-A2045 PolarHBondContact N-O 3.09Å; E2016-A2045 PolarHBondContact O-N 3.11Å; E2016-R2084 IonicContact OE2-NH2 3.21Å |
| 2017 | Q | 87.5 | Confident | 85.6 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 37.5 | 176.1 | -51.5 | -177.2 | 12.1 | 0 | 0 | 113.9 | W1997 R2019 R2086 | W1997-Q2017 PolarHBondContact O-N 3Å; W1997-Q2017 VanDerWaalsContact O-N 3.13Å; Q2017-R2019 WeakPolarHBondContact O-CG 3.23Å; Q2017-R2019 PolarHBondContact O-N 2.89Å; Q2017-R2019 VanDerWaalsContact O-N 3.12Å; Q2017-R2086 VanDerWaalsContact OE1-NH1 3.09Å |
| 2018 | V | 91.9 | Very high | 84.5 | Confident | 12.4 Ų | 12.4 | 39.3 Ų | 39.3 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 111.3 | -175.9 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | T1995 V1996 A2015 E2016 L2020 D2043 M2044 | T1995-V2018 CarbonylContact C-O 3.55Å; T1995-V2018 WeakPolarHBondContact CA-O 3.46Å; V1996-V2018 HydrophobicContact CB-CB 4.08Å; V1996-V2018 HydrophobicContact CG2-CB 4.42Å; V1996-V2018 PolarHBondContact N-O 3.12Å; V1996-V2018 PolarHBondContact O-N 3.21Å; V1996-V2018 VanDerWaalsContact O-N 3.11Å; A2015-V2018 HydrophobicContact CB-CG2 3.88Å; E2016-V2018 VanDerWaalsContact C-N 3.28Å; E2016-V2018 PolarHBondContact O-N 3.06Å; V2018-L2020 HydrophobicContact CG1-CD2 4Å; V2018-L2020 HydrophobicContact CG1-CG 4.27Å; V2018-D2043 CarbonylContact C-O 3.52Å; V2018-D2043 WeakPolarHBondContact CA-O 3.36Å; V2018-M2044 HydrophobicContact CB-CB 4.33Å; V2018-M2044 HydrophobicContact CG1-CB 4.28Å; V2018-M2044 HydrophobicContact CG1-CE 4.31Å; V2018-M2044 HydrophobicContact CG2-CB 3.97Å |
| 2019 | R | 93.3 | Very high | 83 | Confident | 124.4 Ų | 124.4 | 48.9 Ų | 48.9 | 47% | 0.469 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.7 | 176.6 | -64.5 | 176 | -172 | 169.9 | 2.5 | 109.5 | F1994 T1995 Q2017 A2042 D2043 | F1994-R2019 CarbonylContact O-C 3.56Å; F1994-R2019 WeakPolarHBondContact O-CA 3.44Å; T1995-R2019 HydrophobicContact CG2-CG 4.34Å; Q2017-R2019 WeakPolarHBondContact O-CG 3.23Å; Q2017-R2019 PolarHBondContact O-N 2.89Å; Q2017-R2019 VanDerWaalsContact O-N 3.12Å; R2019-A2042 CarbonylContact O-C 3.51Å; R2019-A2042 VanDerWaalsContact O-CA 3.31Å; R2019-A2042 WeakPolarHBondContact O-CA 3.4Å; R2019-D2043 HydrophobicContact CB-CB 4.41Å; R2019-D2043 PolarHBondContact N-O 3.09Å; R2019-D2043 PolarHBondContact O-N 2.92Å |
| 2020 | L | 92 | Very high | 81.2 | Confident | 48.2 Ų | 48.2 | 51.7 Ų | 51.7 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.1 | 174.1 | -46.8 | 175.6 | 0 | 0 | 0 | 108.5 | T1993 F1994 V2018 F2022 I2041 A2042 | T1993-L2020 CarbonylContact C-O 3.52Å; T1993-L2020 WeakPolarHBondContact CA-O 3.26Å; F1994-L2020 HydrophobicContact CB-CB 4.24Å; F1994-L2020 PolarHBondContact N-O 2.99Å; F1994-L2020 PolarHBondContact O-N 3.18Å; V2018-L2020 HydrophobicContact CG1-CD2 4Å; V2018-L2020 HydrophobicContact CG1-CG 4.27Å; L2020-F2022 HydrophobicContact CB-CD2 4.4Å; L2020-F2022 HydrophobicContact CB-CE2 3.65Å; L2020-F2022 HydrophobicContact CB-CZ 4.28Å; L2020-F2022 HydrophobicContact CD1-CE2 4.38Å; L2020-I2041 CarbonylContact C-O 3.52Å; L2020-I2041 WeakPolarHBondContact CA-O 3.33Å; L2020-A2042 HydrophobicContact CD2-CB 3.43Å; L2020-A2042 VanDerWaalsContact CD2-CB 3.44Å |
| 2021 | H | 91.8 | Very high | 79.2 | Confident | 32.8 Ų | 32.8 | 60.9 Ų | 60.9 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.7 | 176.4 | 178 | -95.6 | 0 | 0 | 0 | 109.8 | F1918 S1991 L1992 W2040 I2041 | F1918-H2021 AromaticContact CE1-CE1 3.68Å; F1918-H2021 AromaticContact CE1-NE2 3.61Å; F1918-H2021 AromaticContact CZ-CE1 3.85Å; F1918-H2021 AromaticContact CZ-NE2 3.57Å; S1991-H2021 PolarHBondContact OG-NE2 3.19Å; S1991-H2021 VanDerWaalsContact OG-NE2 3.12Å; L1992-H2021 CarbonylContact O-C 3.55Å; L1992-H2021 WeakPolarHBondContact O-CA 3.33Å; H2021-W2040 CarbonylContact O-C 3.51Å; H2021-W2040 VanDerWaalsContact O-CA 3.25Å; H2021-W2040 WeakPolarHBondContact O-CA 3.41Å; H2021-I2041 HydrophobicContact CB-CB 4.44Å; H2021-I2041 PolarHBondContact N-O 3.01Å; H2021-I2041 PolarHBondContact O-N 2.9Å |
| 2022 | F | 89.9 | Confident | 77.2 | Confident | 68.6 Ų | 68.6 | 65.1 Ų | 65.1 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.1 | 176.9 | -58.4 | -95.2 | 0 | 0 | 0 | 110.2 | S1991 L1992 F1994 L2020 V2038 Q2039 W2040 | S1991-F2022 CarbonylContact C-O 3.55Å; S1991-F2022 WeakPolarHBondContact CA-O 3.42Å; L1992-F2022 HydrophobicContact CB-CB 4.36Å; L1992-F2022 PolarHBondContact N-O 2.92Å; L1992-F2022 PolarHBondContact O-N 3Å; F1994-F2022 AromaticContact CD2-CD2 3.8Å; F1994-F2022 HydrophobicContact CD2-CD2 3.8Å; F1994-F2022 AromaticContact CD2-CE2 3.82Å; F1994-F2022 HydrophobicContact CD2-CE2 3.82Å; F1994-F2022 AromaticContact CE2-CD2 3.77Å; F1994-F2022 HydrophobicContact CE2-CD2 3.77Å; F1994-F2022 AromaticContact CE2-CE2 3.97Å; F1994-F2022 HydrophobicContact CE2-CE2 4Å; L2020-F2022 HydrophobicContact CB-CD2 4.4Å; L2020-F2022 HydrophobicContact CB-CE2 3.65Å; L2020-F2022 HydrophobicContact CB-CZ 4.28Å; L2020-F2022 HydrophobicContact CD1-CE2 4.38Å; F2022-V2038 HydrophobicContact CB-CG1 4.39Å; F2022-Q2039 CarbonylContact C-O 3.52Å; F2022-Q2039 WeakPolarHBondContact CA-O 3.33Å; F2022-W2040 HydrophobicContact CD1-CB 3.61Å; F2022-W2040 HydrophobicContact CE1-CB 3.8Å; F2022-W2040 HydrophobicContact CG-CB 4.45Å |
| 2023 | S | 84.6 | Confident | 75 | Confident | 1.4 Ų | 1.4 | 68.1 Ų | 68.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 141.8 | 177.1 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | Y1990 S1991 R2025 Q2039 | Y1990-S2023 WeakPolarHBondContact O-CA 3.45Å; Y1990-S2023 WeakPolarHBondContact O-CB 3.46Å; Y1990-S2023 PolarHBondContact O-OG 3.09Å; S1991-S2023 PolarHBondContact OG-OG 2.8Å; S2023-R2025 VanDerWaalsContact C-N 3.33Å; S2023-R2025 VanDerWaalsContact OG-CB 3.3Å; S2023-R2025 WeakPolarHBondContact OG-CB 3.4Å; S2023-R2025 WeakPolarHBondContact OG-CG 3.37Å; S2023-R2025 PolarHBondContact OG-N 2.85Å; S2023-R2025 VanDerWaalsContact OG-N 3.07Å; S2023-Q2039 PolarHBondContact N-O 3.12Å; S2023-Q2039 PolarHBondContact O-N 2.85Å |
| 2024 | N | 80.9 | Confident | 73.1 | Confident | 12.2 Ų | 12.2 | 67.4 Ų | 67.4 | 7% | 0.065 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -96.6 | 12.1 | 167.1 | 67.2 | -6.5 | 0 | 0 | 0 | 112.7 | I1988 L1989 Y1990 | I1988-N2024 PolarHBondContact O-ND2 3.24Å; I1988-N2024 VanDerWaalsContact O-ND2 3.17Å; L1989-N2024 VanDerWaalsContact CA-OD1 3.32Å; L1989-N2024 WeakPolarHBondContact CA-OD1 3.34Å; Y1990-N2024 WeakPolarHBondContact CD1-ND2 3.4Å; Y1990-N2024 HydrophobicContact CE1-CB 4.26Å; Y1990-N2024 WeakPolarHBondContact CE1-ND2 3.36Å; Y1990-N2024 PolarHBondContact N-OD1 3.18Å; Y1990-N2024 PolarHBondContact O-N 2.96Å; Y1990-N2024 PolarHBondContact O-OD1 3.18Å |
| 2025 | R | 75.2 | Confident | 71.1 | Confident | 21.6 Ų | 21.6 | 70.9 Ų | 70.9 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -91.1 | -27.5 | 178.6 | -61.9 | -178.8 | 67.8 | -145.8 | -1 | 113.8 | V1926 K1927 Y1931 L1989 S2023 L2027 | V1926-R2025 HydrophobicContact CG1-CB 4.39Å; V1926-R2025 VanDerWaalsContact CG1-NH2 3.32Å; K1927-R2025 WeakPolarHBondContact CB-O 3.48Å; K1927-R2025 PolarHBondContact N-O 3.04Å; K1927-R2025 PolarHBondContact O-NH2 3.42Å; Y1931-R2025 VanDerWaalsContact CD1-CZ 3.45Å; Y1931-R2025 VanDerWaalsContact CE1-CZ 3.41Å; Y1931-R2025 VanDerWaalsContact CE1-NH2 3.35Å; Y1931-R2025 VanDerWaalsContact CE2-NH1 3.3Å; Y1931-R2025 VanDerWaalsContact CG-CD 3.49Å; Y1931-R2025 PolarHBondContact OH-NH1 3.1Å; Y1931-R2025 VanDerWaalsContact OH-NH1 3.16Å; L1989-R2025 HydrophobicContact CB-CG 4.15Å; L1989-R2025 HydrophobicContact CD2-CG 4.36Å; S2023-R2025 VanDerWaalsContact C-N 3.33Å; S2023-R2025 VanDerWaalsContact OG-CB 3.3Å; S2023-R2025 WeakPolarHBondContact OG-CB 3.4Å; S2023-R2025 WeakPolarHBondContact OG-CG 3.37Å; S2023-R2025 PolarHBondContact OG-N 2.85Å; S2023-R2025 VanDerWaalsContact OG-N 3.07Å; R2025-L2027 PolarHBondContact O-N 2.81Å |
| 2026 | L | 63.7 | Low | 69.4 | Low | 17.2 Ų | 17.2 | 78.4 Ų | 78.4 | 9% | 0.09 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.3 | -178.3 | -65 | 164.1 | 0 | 0 | 0 | 108.2 | L1924 V1926 Q2039 I2041 | L1924-L2026 HydrophobicContact CB-CD2 4.32Å; L1924-L2026 HydrophobicContact CD1-CD2 4.46Å; V1926-L2026 HydrophobicContact CG2-CD2 4.02Å; L2026-Q2039 HydrophobicContact CB-CB 4.29Å; L2026-Q2039 HydrophobicContact CB-CG 4.39Å; L2026-Q2039 VanDerWaalsContact CD1-OE1 3.27Å; L2026-Q2039 VanDerWaalsContact O-CD 3.25Å; L2026-Q2039 WeakPolarHBondContact O-CG 3.43Å; L2026-Q2039 PolarHBondContact O-NE2 3.4Å; L2026-I2041 HydrophobicContact CD1-CD1 4.3Å |
| 2027 | L | 59.2 | Low | 68.1 | Low | 39.8 Ų | 39.8 | 78.7 Ų | 78.7 | 21% | 0.208 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143.4 | 173.8 | -90 | 120.8 | 0 | 0 | 0 | 110.3 | V1925 K1927 R2025 | V1925-L2027 PolarHBondContact N-O 2.96Å; V1925-L2027 PolarHBondContact O-N 3.19Å; V1925-L2027 VanDerWaalsContact O-O 3.12Å; K1927-L2027 HydrophobicContact CB-CD1 4.12Å; K1927-L2027 HydrophobicContact CD-CD1 4.07Å; K1927-L2027 HydrophobicContact CD-CG 4.43Å; K1927-L2027 HydrophobicContact CG-CD1 4.21Å; K1927-L2027 HydrophobicContact CG-CG 4.1Å; R2025-L2027 PolarHBondContact O-N 2.81Å |
| 2028 | H | 52.9 | Low | 67.5 | Low | 30.6 Ų | 30.6 | 76.4 Ų | 76.4 | 14% | 0.142 | 36% | 0.359 | C | S | . | . | trans | -78.4 | 158.4 | 158.9 | -135.6 | 66.8 | 0 | 0 | 0 | 109.9 | S1923 L1924 S2030 D2093 P2095 | S1923-H2028 PolarHBondContact O-CE1 2.94Å; S1923-H2028 PolarHBondContact O-ND1 3.47Å; S1923-H2028 PolarHBondContact OG-CE1 2.84Å; S1923-H2028 VanDerWaalsContact OG-CE1 3.24Å; L1924-H2028 WeakPolarHBondContact CD2-ND1 3.47Å; H2028-S2030 VanDerWaalsContact C-N 3.27Å; H2028-S2030 PolarHBondContact O-N 3.07Å; H2028-D2093 HydrophobicContact CB-CB 3.87Å; H2028-D2093 PolarHBondContact CD2-O 3.14Å; H2028-D2093 VanDerWaalsContact CD2-O 3.27Å; H2028-D2093 PolarHBondContact NE2-O 3.09Å; H2028-P2095 WeakPolarHBondContact NE2-CD 3.35Å | ||
| 2029 | R | 50.6 | Low | 66.9 | Low | 229.8 Ų | 229.8 | 76.4 Ų | 76.4 | 87% | 0.867 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -76.3 | 59.2 | -163.7 | -160.3 | -179 | -173.2 | 172.9 | 0.5 | 113.9 | V1925 | V1925-R2029 HydrophobicContact CG2-CB 4.46Å; V1925-R2029 HydrophobicContact CG2-CG 4.45Å |
| 2030 | S | 49 | Very low | 66.6 | Low | 68.4 Ų | 68.4 | 74.3 Ų | 74.3 | 48% | 0.478 | 35% | 0.35 | S | S | . | . | trans | -109.5 | 158.8 | 169.8 | 89.1 | 0 | 0 | 0 | 0 | 111.3 | H2028 D2032 | H2028-S2030 VanDerWaalsContact C-N 3.27Å; H2028-S2030 PolarHBondContact O-N 3.07Å; S2030-D2032 VanDerWaalsContact C-N 3.27Å; S2030-D2032 PolarHBondContact O-N 3.01Å; S2030-D2032 PolarHBondContact OG-N 3.41Å | ||
| 2031 | K | 48.2 | Very low | 66.6 | Low | 192.8 Ų | 192.8 | 73.9 Ų | 73.9 | 84% | 0.838 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -88.6 | -11.9 | -174.5 | -78.1 | 174.3 | -179 | 157.6 | 0 | 114.6 | D2033 E2098 | K2031-D2033 PolarHBondContact O-N 3Å; K2031-E2098 IonicContact NZ-OE1 3.38Å; K2031-E2098 PolarHBondContact NZ-OE1 3.16Å; K2031-E2098 IonicContact NZ-OE2 3.1Å |
| 2032 | D | 49.2 | Very low | 66.6 | Low | 123 Ų | 123 | 72.7 Ų | 72.7 | 66% | 0.658 | 34% | 0.344 | S | S | * | . | trans | -89 | 102.7 | -171.3 | -66.1 | -37.1 | 0 | 0 | 0 | 112 | S2030 S2034 | S2030-D2032 VanDerWaalsContact C-N 3.27Å; S2030-D2032 PolarHBondContact O-N 3.01Å; S2030-D2032 PolarHBondContact OG-N 3.41Å; D2032-S2034 VanDerWaalsContact C-N 3.3Å; D2032-S2034 PolarHBondContact O-N 2.92Å; D2032-S2034 PolarHBondContact O-OG 3.48Å | ||
| 2033 | D | 46.9 | Very low | 66.8 | Low | 106 Ų | 106 | 70.8 Ų | 70.8 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | trans | -78.8 | 50.7 | -167.1 | -148.6 | 5.3 | 0 | 0 | 0 | 113.3 | K1927 K2031 F2035 | K1927-D2033 WeakPolarHBondContact CE-OD1 3.32Å; K1927-D2033 IonicContact NZ-OD1 3.21Å; K1927-D2033 PolarHBondContact NZ-OD1 3.1Å; K2031-D2033 PolarHBondContact O-N 3Å; D2033-F2035 VanDerWaalsContact O-CD2 3.23Å; D2033-F2035 WeakPolarHBondContact O-CD2 3.39Å; D2033-F2035 WeakPolarHBondContact O-CE2 3.34Å; D2033-F2035 PolarHBondContact O-N 3.09Å | ||
| 2034 | S | 52.3 | Low | 67.2 | Low | 51.2 Ų | 51.2 | 72.3 Ų | 72.3 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | trans | -74.3 | 120.6 | 172.9 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | D2032 E2036 R2037 | D2032-S2034 VanDerWaalsContact C-N 3.3Å; D2032-S2034 PolarHBondContact O-N 2.92Å; D2032-S2034 PolarHBondContact O-OG 3.48Å; S2034-E2036 PolarHBondContact O-N 3.14Å; S2034-E2036 VanDerWaalsContact O-N 3.12Å; S2034-R2037 PolarHBondContact OG-NE 2.84Å | ||
| 2035 | F | 51.4 | Low | 67.8 | Low | 102.2 Ų | 102.2 | 73.1 Ų | 73.1 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 3.5 | -179 | -73.9 | -93.8 | 0 | 0 | 0 | 114.4 | L1987 D2033 | L1987-F2035 HydrophobicContact CB-CB 4.29Å; L1987-F2035 HydrophobicContact CB-CD1 4.35Å; L1987-F2035 HydrophobicContact CB-CG 4.49Å; L1987-F2035 HydrophobicContact CD1-CB 3.7Å; L1987-F2035 HydrophobicContact CD1-CG 4.48Å; D2033-F2035 VanDerWaalsContact O-CD2 3.23Å; D2033-F2035 WeakPolarHBondContact O-CD2 3.39Å; D2033-F2035 WeakPolarHBondContact O-CE2 3.34Å; D2033-F2035 PolarHBondContact O-N 3.09Å |
| 2036 | E | 56.9 | Low | 68.7 | Low | 168.8 Ų | 168.8 | 74.2 Ų | 74.2 | 79% | 0.789 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -13.9 | -166.6 | -61 | -176.7 | 157.5 | 0 | 0 | 114 | S2034 V2038 | S2034-E2036 PolarHBondContact O-N 3.14Å; S2034-E2036 VanDerWaalsContact O-N 3.12Å; E2036-V2038 PolarHBondContact O-N 2.99Å |
| 2037 | R | 63.2 | Low | 70.1 | Confident | 103.2 Ų | 103.2 | 74 Ų | 74 | 39% | 0.389 | 36% | 0.36 | S | S | . | . | trans | -84.9 | 122.9 | -178.2 | -59.6 | -168 | -169.3 | -172 | 4.6 | 111.6 | S2034 D2093 A2111 | S2034-R2037 PolarHBondContact OG-NE 2.84Å; R2037-D2093 VanDerWaalsContact CD-OD2 3.31Å; R2037-D2093 WeakPolarHBondContact CD-OD2 3.32Å; R2037-D2093 IonicContact CZ-OD1 3.88Å; R2037-D2093 IonicContact CZ-OD2 3.09Å; R2037-D2093 IonicContact NE-OD2 3.41Å; R2037-D2093 IonicContact NH1-OD1 3.08Å; R2037-D2093 PolarHBondContact NH1-OD1 3.02Å; R2037-D2093 IonicContact NH1-OD2 3.09Å; R2037-D2093 PolarHBondContact NH1-OD2 2.83Å; R2037-D2093 VanDerWaalsContact NH1-OD2 3.09Å; R2037-A2111 VanDerWaalsContact NH2-CB 3.32Å | ||
| 2038 | V | 74.6 | Confident | 71.8 | Confident | 49.2 Ų | 49.2 | 75.5 Ų | 75.5 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | trans | -111 | 123.1 | 177.5 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | Y1990 F2022 E2036 N2091 | Y1990-V2038 HydrophobicContact CE2-CG1 4.46Å; Y1990-V2038 VanDerWaalsContact OH-CG2 3.28Å; Y1990-V2038 WeakPolarHBondContact OH-CG2 3.35Å; F2022-V2038 HydrophobicContact CB-CG1 4.39Å; E2036-V2038 PolarHBondContact O-N 2.99Å; V2038-N2091 PolarHBondContact O-ND2 3.01Å | ||
| 2039 | Q | 79.4 | Confident | 73.7 | Confident | 12.6 Ų | 12.6 | 74.1 Ų | 74.1 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.9 | 167.3 | -132.4 | -175.2 | -3.7 | 0 | 0 | 109.5 | F2022 S2023 L2026 N2091 D2093 | F2022-Q2039 CarbonylContact C-O 3.52Å; F2022-Q2039 WeakPolarHBondContact CA-O 3.33Å; S2023-Q2039 PolarHBondContact N-O 3.12Å; S2023-Q2039 PolarHBondContact O-N 2.85Å; L2026-Q2039 HydrophobicContact CB-CB 4.29Å; L2026-Q2039 HydrophobicContact CB-CG 4.39Å; L2026-Q2039 VanDerWaalsContact CD1-OE1 3.27Å; L2026-Q2039 VanDerWaalsContact O-CD 3.25Å; L2026-Q2039 WeakPolarHBondContact O-CG 3.43Å; L2026-Q2039 PolarHBondContact O-NE2 3.4Å; Q2039-N2091 VanDerWaalsContact CA-OD1 3.3Å; Q2039-N2091 WeakPolarHBondContact CA-OD1 3.35Å; Q2039-N2091 WeakPolarHBondContact CG-OD1 3.23Å; Q2039-N2091 PolarHBondContact NE2-O 2.96Å; Q2039-D2093 PolarHBondContact NE2-OD2 3.46Å |
| 2040 | W | 87.7 | Confident | 75.8 | Confident | 79.8 Ų | 79.8 | 64.1 Ų | 64.1 | 30% | 0.302 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.8 | 174.9 | 60.1 | -96.1 | 0 | 0 | 0 | 110.7 | H2021 F2022 L2089 Q2090 N2091 Y2115 | H2021-W2040 CarbonylContact O-C 3.51Å; H2021-W2040 VanDerWaalsContact O-CA 3.25Å; H2021-W2040 WeakPolarHBondContact O-CA 3.41Å; F2022-W2040 HydrophobicContact CD1-CB 3.61Å; F2022-W2040 HydrophobicContact CE1-CB 3.8Å; F2022-W2040 HydrophobicContact CG-CB 4.45Å; W2040-L2089 HydrophobicContact CH2-CB 4.25Å; W2040-L2089 HydrophobicContact CZ3-CB 3.7Å; W2040-Q2090 WeakPolarHBondContact O-CA 3.37Å; W2040-N2091 VanDerWaalsContact CD1-CG 3.47Å; W2040-N2091 VanDerWaalsContact CD1-OD1 3.24Å; W2040-N2091 HydrophobicContact CD2-CB 4.45Å; W2040-N2091 HydrophobicContact CZ2-CB 4.17Å; W2040-N2091 PolarHBondContact N-OD1 3.08Å; W2040-N2091 VanDerWaalsContact NE1-CG 3.33Å; W2040-N2091 PolarHBondContact O-N 2.92Å; W2040-N2091 PolarHBondContact O-OD1 3.03Å; W2040-N2091 VanDerWaalsContact O-OD1 3.05Å; W2040-Y2115 HydrophobicContact CH2-CD1 4.39Å; W2040-Y2115 AromaticContact CZ2-CD1 3.87Å; W2040-Y2115 HydrophobicContact CZ2-CD1 3.97Å; W2040-Y2115 AromaticContact CZ2-CE1 3.91Å; W2040-Y2115 HydrophobicContact CZ2-CE1 4.02Å |
| 2041 | I | 90.3 | Very high | 77.7 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.9 | 175.6 | -54.5 | 175.5 | 0 | 0 | 0 | 107.4 | L2020 H2021 L2026 T2088 L2089 Q2090 | L2020-I2041 CarbonylContact C-O 3.52Å; L2020-I2041 WeakPolarHBondContact CA-O 3.33Å; H2021-I2041 HydrophobicContact CB-CB 4.44Å; H2021-I2041 PolarHBondContact N-O 3.01Å; H2021-I2041 PolarHBondContact O-N 2.9Å; L2026-I2041 HydrophobicContact CD1-CD1 4.3Å; I2041-T2088 HydrophobicContact CG2-CG2 4.27Å; I2041-L2089 CarbonylContact C-O 3.56Å; I2041-L2089 VanDerWaalsContact CA-O 3.29Å; I2041-L2089 WeakPolarHBondContact CA-O 3.32Å; I2041-Q2090 HydrophobicContact CB-CB 4.44Å; I2041-Q2090 HydrophobicContact CG1-CB 4.19Å; I2041-Q2090 HydrophobicContact CG1-CG 3.97Å; I2041-Q2090 HydrophobicContact CG2-CB 4.44Å |
| 2042 | A | 92.8 | Very high | 79.5 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | R2019 L2020 M2044 T2088 L2089 | R2019-A2042 CarbonylContact O-C 3.51Å; R2019-A2042 VanDerWaalsContact O-CA 3.31Å; R2019-A2042 WeakPolarHBondContact O-CA 3.4Å; L2020-A2042 HydrophobicContact CD2-CB 3.43Å; L2020-A2042 VanDerWaalsContact CD2-CB 3.44Å; A2042-M2044 HydrophobicContact CB-CE 4.14Å; A2042-T2088 CarbonylContact O-C 3.54Å; A2042-T2088 VanDerWaalsContact O-CA 3.28Å; A2042-T2088 WeakPolarHBondContact O-CA 3.38Å; A2042-L2089 HydrophobicContact CB-CB 4.29Å; A2042-L2089 PolarHBondContact N-O 2.91Å; A2042-L2089 PolarHBondContact O-N 2.95Å |
| 2043 | D | 93.1 | Very high | 81.1 | Confident | 27.6 Ų | 27.6 | 50.2 Ų | 50.2 | 15% | 0.148 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.1 | 177.7 | 174.8 | 33.3 | 0 | 0 | 0 | 109.3 | V2018 R2019 R2086 V2087 T2088 | V2018-D2043 CarbonylContact C-O 3.52Å; V2018-D2043 WeakPolarHBondContact CA-O 3.36Å; R2019-D2043 HydrophobicContact CB-CB 4.41Å; R2019-D2043 PolarHBondContact N-O 3.09Å; R2019-D2043 PolarHBondContact O-N 2.92Å; D2043-R2086 IonicContact OD1-CZ 3.23Å; D2043-R2086 IonicContact OD1-NE 3.39Å; D2043-R2086 PolarHBondContact OD1-NE 3Å; D2043-R2086 VanDerWaalsContact OD1-NE 3.08Å; D2043-R2086 IonicContact OD1-NH2 3.45Å; D2043-R2086 PolarHBondContact OD1-NH2 2.94Å; D2043-R2086 IonicContact OD2-CZ 3.19Å; D2043-R2086 IonicContact OD2-NE 2.94Å; D2043-R2086 PolarHBondContact OD2-NE 2.91Å; D2043-R2086 IonicContact OD2-NH2 3.25Å; D2043-R2086 PolarHBondContact OD2-NH2 3.23Å; D2043-V2087 WeakPolarHBondContact CA-O 3.33Å; D2043-T2088 HydrophobicContact CB-CG2 4.27Å; D2043-T2088 PolarHBondContact OD1-OG1 3.11Å |
| 2044 | M | 94.2 | Very high | 82.5 | Confident | 34.2 Ų | 34.2 | 48.1 Ų | 48.1 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 145.4 | -175.3 | 62.4 | -172.2 | 79.6 | 0 | 0 | 112.8 | V2018 A2042 L2046 R2086 V2087 | V2018-M2044 HydrophobicContact CB-CB 4.33Å; V2018-M2044 HydrophobicContact CG1-CB 4.28Å; V2018-M2044 HydrophobicContact CG1-CE 4.31Å; V2018-M2044 HydrophobicContact CG2-CB 3.97Å; A2042-M2044 HydrophobicContact CB-CE 4.14Å; M2044-L2046 HydrophobicContact SD-CD1 4.38Å; M2044-R2086 CarbonylContact O-C 3.5Å; M2044-R2086 VanDerWaalsContact O-CA 3.31Å; M2044-R2086 WeakPolarHBondContact O-CA 3.38Å; M2044-R2086 WeakPolarHBondContact O-CG 3.37Å; M2044-V2087 HydrophobicContact CG-CB 4.12Å; M2044-V2087 PolarHBondContact N-O 3.04Å; M2044-V2087 PolarHBondContact O-N 3.16Å |
| 2045 | A | 93.9 | Very high | 83.1 | Confident | 27.4 Ų | 27.4 | 54.2 Ų | 54.2 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 106.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | A2015 E2016 | A2015-A2045 CarbonylContact C-O 3.54Å; A2015-A2045 VanDerWaalsContact CA-O 3.31Å; A2015-A2045 WeakPolarHBondContact CA-O 3.38Å; E2016-A2045 HydrophobicContact CB-CB 4.29Å; E2016-A2045 PolarHBondContact N-O 3.09Å; E2016-A2045 PolarHBondContact O-N 3.11Å |
| 2046 | L | 94.1 | Very high | 83.2 | Confident | 44.4 Ų | 44.4 | 54.4 Ų | 54.4 | 23% | 0.232 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.9 | -176.2 | -164.9 | 74.6 | 0 | 0 | 0 | 110.8 | L2013 E2014 A2015 M2044 R2084 T2085 V2087 | L2013-L2046 HydrophobicContact CD1-CD1 3.79Å; L2013-L2046 HydrophobicContact CD1-CG 4.39Å; E2014-L2046 CarbonylContact O-C 3.51Å; A2015-L2046 HydrophobicContact CB-CD1 4.3Å; M2044-L2046 HydrophobicContact SD-CD1 4.38Å; L2046-R2084 CarbonylContact O-C 3.53Å; L2046-R2084 VanDerWaalsContact O-CA 3.29Å; L2046-R2084 WeakPolarHBondContact O-CA 3.34Å; L2046-T2085 WeakPolarHBondContact CA-O 3.34Å; L2046-T2085 HydrophobicContact CB-CG2 4.06Å; L2046-T2085 WeakPolarHBondContact CB-O 3.33Å; L2046-T2085 HydrophobicContact CD2-CG2 4.27Å; L2046-T2085 PolarHBondContact N-O 2.91Å; L2046-T2085 PolarHBondContact O-N 3.26Å; L2046-T2085 VanDerWaalsContact O-O 3.1Å; L2046-V2087 HydrophobicContact CB-CG2 4Å; L2046-V2087 HydrophobicContact CD2-CG2 4.1Å |
| 2047 | S | 93.2 | Very high | 82.6 | Confident | 14.6 Ų | 14.6 | 52.4 Ų | 52.4 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 107.2 | 174.7 | 178 | 0 | 0 | 0 | 0 | 109.4 | E2014 L2083 | E2014-S2047 WeakPolarHBondContact CB-O 3.35Å; E2014-S2047 PolarHBondContact N-O 3.05Å; E2014-S2047 CarbonylContact O-C 3.5Å; E2014-S2047 WeakPolarHBondContact O-CA 3.4Å; E2014-S2047 PolarHBondContact O-N 3.1Å; E2014-S2047 VanDerWaalsContact O-O 3.08Å; E2014-S2047 PolarHBondContact OE2-OG 3.09Å; S2047-L2083 CarbonylContact C-O 3.54Å; S2047-L2083 VanDerWaalsContact CA-O 3.22Å; S2047-L2083 WeakPolarHBondContact CA-O 3.37Å; S2047-L2083 PolarHBondContact OG-O 2.91Å |
| 2048 | L | 94 | Very high | 81.4 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.1 | 174.8 | 175.8 | 68.7 | 0 | 0 | 0 | 108.5 | V2011 R2012 L2013 F2082 L2083 | V2011-L2048 HydrophobicContact CG1-CD1 3.62Å; R2012-L2048 CarbonylContact O-C 3.52Å; R2012-L2048 WeakPolarHBondContact O-CA 3.16Å; L2013-L2048 HydrophobicContact CB-CD1 4.33Å; L2013-L2048 HydrophobicContact CD1-CB 4.34Å; L2013-L2048 HydrophobicContact CD1-CD1 4.17Å; L2048-F2082 CarbonylContact O-C 3.53Å; L2048-F2082 VanDerWaalsContact O-CA 3.28Å; L2048-F2082 WeakPolarHBondContact O-CA 3.4Å; L2048-L2083 HydrophobicContact CB-CB 4.4Å; L2048-L2083 PolarHBondContact N-O 2.95Å; L2048-L2083 PolarHBondContact O-N 3.01Å |
| 2049 | A | 93.4 | Very high | 79.7 | Confident | 1.4 Ų | 1.4 | 60.5 Ų | 60.5 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2011 R2012 F2077 R2079 A2081 F2082 | V2011-A2049 CarbonylContact C-O 3.54Å; V2011-A2049 VanDerWaalsContact CA-O 3.3Å; V2011-A2049 WeakPolarHBondContact CA-O 3.38Å; R2012-A2049 PolarHBondContact N-O 3.03Å; R2012-A2049 PolarHBondContact O-N 2.94Å; A2049-F2077 HydrophobicContact CB-CE1 3.75Å; A2049-F2077 HydrophobicContact CB-CZ 4.28Å; A2049-R2079 HydrophobicContact CB-CG 4.2Å; A2049-A2081 CarbonylContact C-O 3.55Å; A2049-A2081 VanDerWaalsContact CA-O 3.27Å; A2049-A2081 WeakPolarHBondContact CA-O 3.24Å; A2049-F2082 HydrophobicContact CB-CB 3.97Å |
| 2050 | L | 93.3 | Very high | 77.6 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.9 | 175.6 | 169.7 | 67.9 | 0 | 0 | 0 | 108.5 | I2009 V2011 S2080 A2081 A2130 K2133 A2134 L2137 | I2009-L2050 HydrophobicContact CG2-CD1 4.25Å; V2011-L2050 HydrophobicContact CG2-CB 4.24Å; V2011-L2050 HydrophobicContact CG2-CD1 3.57Å; V2011-L2050 HydrophobicContact CG2-CG 4.43Å; L2050-S2080 PolarHBondContact O-N 3.23Å; L2050-A2081 HydrophobicContact CB-CB 4.39Å; L2050-A2081 PolarHBondContact N-O 3.09Å; L2050-A2081 PolarHBondContact O-N 3.01Å; L2050-A2130 HydrophobicContact CD2-CB 4.27Å; L2050-A2130 VanDerWaalsContact CD2-O 3.26Å; L2050-A2130 WeakPolarHBondContact CD2-O 3.32Å; L2050-K2133 HydrophobicContact CD1-CB 4.25Å; L2050-K2133 HydrophobicContact CD2-CB 4.25Å; L2050-K2133 HydrophobicContact CG-CB 4.32Å; L2050-A2134 HydrophobicContact CD2-CB 3.65Å; L2050-L2137 HydrophobicContact CD1-CD1 4.34Å |
| 2051 | G | 89.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -157.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A2010 Q2078 | A2010-G2051 PolarHBondContact N-O 3.07Å; A2010-G2051 PolarHBondContact O-N 3.24Å; G2051-Q2078 CarbonylContact C-O 3.54Å; G2051-Q2078 WeakPolarHBondContact CA-O 3.31Å |
| 2052 | Q | 86.2 | Confident | 72.9 | Confident | 61.2 Ų | 61.2 | 74 Ų | 74 | 29% | 0.286 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.5 | 176.8 | -173.6 | 170.8 | -3.7 | 0 | 0 | 109.5 | A2008 Q2078 | A2008-Q2052 HydrophobicContact CB-CG 4.46Å; A2008-Q2052 CarbonylContact O-C 3.54Å; A2008-Q2052 VanDerWaalsContact O-CA 3.31Å; A2008-Q2052 WeakPolarHBondContact O-CA 3.34Å; A2008-Q2052 WeakPolarHBondContact O-CG 3.21Å; Q2052-Q2078 PolarHBondContact N-O 3.22Å; Q2052-Q2078 VanDerWaalsContact N-O 3.1Å; Q2052-Q2078 PolarHBondContact O-N 2.87Å |
| 2053 | L | 83.2 | Confident | 70.1 | Confident | 30.4 Ų | 30.4 | 83.4 Ų | 83.4 | 16% | 0.159 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.3 | 176.2 | -68.2 | 163.9 | 0 | 0 | 0 | 109.3 | T2002 T2004 A2008 A2010 P2075 E2076 F2077 | T2002-L2053 HydrophobicContact CG2-CD1 4.35Å; T2004-L2053 HydrophobicContact CG2-CD1 3.52Å; T2004-L2053 VanDerWaalsContact CG2-CD1 3.47Å; A2008-L2053 HydrophobicContact CB-CB 4.37Å; A2008-L2053 WeakPolarHBondContact CB-O 3.27Å; A2008-L2053 PolarHBondContact O-N 3.01Å; A2010-L2053 HydrophobicContact CB-CD1 3.83Å; A2010-L2053 HydrophobicContact CB-CG 3.96Å; L2053-P2075 HydrophobicContact CB-CB 4.33Å; L2053-P2075 HydrophobicContact CD2-CB 4.27Å; L2053-P2075 HydrophobicContact CD2-CG 4.06Å; L2053-E2076 WeakPolarHBondContact CA-O 3.39Å; L2053-F2077 HydrophobicContact CD2-CB 4.16Å; L2053-F2077 HydrophobicContact CD2-CD2 4Å; L2053-F2077 HydrophobicContact CD2-CG 4.31Å; L2053-F2077 HydrophobicContact CG-CD2 4.34Å |
| 2054 | I | 76.6 | Confident | 67.4 | Low | 62.8 Ų | 62.8 | 86.1 Ų | 86.1 | 32% | 0.322 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.3 | 179.3 | -55.1 | 178.3 | 0 | 0 | 0 | 107.9 | N2056 P2075 E2076 Q2078 | I2054-N2056 WeakPolarHBondContact CG2-OD1 3.4Å; I2054-N2056 PolarHBondContact O-N 3.23Å; I2054-P2075 CarbonylContact O-C 3.54Å; I2054-E2076 HydrophobicContact CB-CB 4.46Å; I2054-E2076 PolarHBondContact N-O 2.9Å; I2054-E2076 PolarHBondContact O-N 3.03Å; I2054-Q2078 HydrophobicContact CD1-CB 3.98Å; I2054-Q2078 HydrophobicContact CG1-CB 4.5Å |
| 2055 | R | 63.4 | Low | 64.5 | Low | 178.4 Ų | 178.4 | 90.6 Ų | 90.6 | 67% | 0.673 | 49% | 0.488 | S | S | * | . | trans | -86.6 | 105.9 | 169.6 | -80.6 | -176.5 | 170.1 | 170.2 | -4.5 | 108.7 | T2057 P2075 E2412 | R2055-T2057 VanDerWaalsContact C-N 3.3Å; R2055-T2057 PolarHBondContact O-N 2.91Å; R2055-T2057 VanDerWaalsContact O-N 3.1Å; R2055-P2075 HydrophobicContact CG-CB 4.19Å; R2055-E2412 IonicContact NH1-OE2 3.09Å; R2055-E2412 PolarHBondContact NH1-OE2 3.41Å | ||
| 2056 | N | 53.3 | Low | 61.8 | Low | 107 Ų | 107 | 95.8 Ų | 95.8 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | trans | -72.1 | 91.2 | 175.6 | -71.4 | -17.3 | 0 | 0 | 0 | 110.3 | I2054 R2058 E2076 | I2054-N2056 WeakPolarHBondContact CG2-OD1 3.4Å; I2054-N2056 PolarHBondContact O-N 3.23Å; N2056-R2058 VanDerWaalsContact C-N 3.34Å; N2056-R2058 PolarHBondContact O-N 3.09Å; N2056-R2058 VanDerWaalsContact O-N 3.14Å; N2056-E2076 PolarHBondContact ND2-OE2 2.97Å | ||
| 2057 | T | 44.3 | Very low | 58.8 | Low | 126.8 Ų | 126.8 | 101.9 Ų | 101.9 | 78% | 0.778 | 55% | 0.545 | S | S | * | . | trans | -69.9 | 94.8 | 163.9 | 42.4 | 0 | 0 | 0 | 0 | 108.3 | R2055 P2059 | R2055-T2057 VanDerWaalsContact C-N 3.3Å; R2055-T2057 PolarHBondContact O-N 2.91Å; R2055-T2057 VanDerWaalsContact O-N 3.1Å; T2057-P2059 WeakPolarHBondContact O-CD 3.34Å; T2057-P2059 VanDerWaalsContact O-N 3.15Å | ||
| 2058 | R | 39.3 | Very low | 55.7 | Low | 213 Ų | 213 | 109.6 Ų | 109.6 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | trans | -58.1 | 121.8 | 177.5 | -163.5 | 174.2 | -173.7 | 156.8 | 0 | 108.5 | N2056 A2060 E2062 | N2056-R2058 VanDerWaalsContact C-N 3.34Å; N2056-R2058 PolarHBondContact O-N 3.09Å; N2056-R2058 VanDerWaalsContact O-N 3.14Å; R2058-A2060 PolarHBondContact O-N 3.02Å; R2058-E2062 IonicContact NE-OE2 2.72Å; R2058-E2062 IonicContact NH2-OE2 3.54Å; R2058-E2062 PolarHBondContact NH2-OE2 2.98Å | ||
| 2059 | P | 38.3 | Very low | 52.5 | Low | 109.2 Ų | 109.2 | 112.2 Ų | 112.2 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | trans | -64.9 | 134 | -175.6 | 24.8 | -32.8 | 0 | 0 | 0 | 110.3 | T2057 N2061 | T2057-P2059 WeakPolarHBondContact O-CD 3.34Å; T2057-P2059 VanDerWaalsContact O-N 3.15Å; P2059-N2061 VanDerWaalsContact C-N 3.25Å; P2059-N2061 PolarHBondContact O-N 3.01Å | ||
| 2060 | A | 36.6 | Very low | 49.5 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 84% | 0.835 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -75.6 | 34.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R2058 | R2058-A2060 PolarHBondContact O-N 3.02Š|
| 2061 | N | 37.3 | Very low | 46.7 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -118.5 | 47.9 | -173.7 | -70.6 | 4.9 | 0 | 0 | 0 | 112.6 | P2059 | P2059-N2061 VanDerWaalsContact C-N 3.25Å; P2059-N2061 PolarHBondContact O-N 3.01Å | ||
| 2062 | E | 40.4 | Very low | 44.5 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | trans | -144.2 | 104.2 | 165 | -98.7 | 177.9 | 179.7 | 0 | 0 | 109.6 | R2058 A2064 | R2058-E2062 IonicContact NE-OE2 2.72Å; R2058-E2062 IonicContact NH2-OE2 3.54Å; R2058-E2062 PolarHBondContact NH2-OE2 2.98Å; E2062-A2064 PolarHBondContact O-N 3.04Å | ||
| 2063 | E | 35.4 | Very low | 42.6 | Very low | 204.6 Ų | 204.6 | 137.1 Ų | 137.1 | 96% | 0.956 | 74% | 0.744 | S | S | * | * | trans | -79.8 | 100.7 | -179.4 | -67.7 | -175 | 152.7 | 0 | 0 | 111.3 | ||||
| 2064 | A | 35.2 | Very low | 41.3 | Very low | 83.8 Ų | 83.8 | 142.1 Ų | 142.1 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | -140 | 106 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E2062 T2066 | E2062-A2064 PolarHBondContact O-N 3.04Å; A2064-T2066 PolarHBondContact O-N 3.21Å | ||
| 2065 | P | 33.6 | Very low | 40.7 | Very low | 129.8 Ų | 129.8 | 141.6 Ų | 141.6 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -86.1 | 107.2 | -175 | 32.5 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 2066 | T | 37.2 | Very low | 41.2 | Very low | 136.4 Ų | 136.4 | 138.5 Ų | 138.5 | 84% | 0.837 | 76% | 0.76 | S | S | * | * | trans | -140.5 | 124.5 | 161.3 | -7.8 | 0 | 0 | 0 | 0 | 110.8 | A2064 | A2064-T2066 PolarHBondContact O-N 3.21Š| ||
| 2067 | Q | 30.2 | Very low | 42.5 | Very low | 172.8 Ų | 172.8 | 134.6 Ų | 134.6 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | -58.2 | 137 | 179.4 | -65.5 | 169.1 | -38 | 0 | 0 | 116.2 | ||||
| 2068 | Q | 28.1 | Very low | 44.4 | Very low | 175.6 Ų | 175.6 | 132.7 Ų | 132.7 | 82% | 0.821 | 72% | 0.72 | S | S | * | * | trans | 89.5 | 111.8 | 146.1 | -66.6 | 169.8 | -4.7 | 0 | 0 | 118.2 | ||||
| 2069 | C | 28.4 | Very low | 46.7 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | 71.9 | 98.4 | 148.1 | -64.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2070 | E | 30.2 | Very low | 49 | Very low | 185.4 Ų | 185.4 | 122.8 Ų | 122.8 | 87% | 0.866 | 67% | 0.669 | S | S | * | * | trans | -149.4 | 100.9 | 147.5 | -80.9 | 179 | 168.5 | 0 | 0 | 111.7 | D2072 | E2070-D2072 VanDerWaalsContact C-N 3.33Å; E2070-D2072 PolarHBondContact O-N 2.83Å; E2070-D2072 VanDerWaalsContact O-N 3.08Å | ||
| 2071 | D | 35 | Very low | 51.6 | Low | 168 Ų | 168 | 118.5 Ų | 118.5 | 90% | 0.898 | 63% | 0.634 | S | S | * | * | trans | -60.2 | 10.8 | 163.1 | -91.8 | -23.2 | 0 | 0 | 0 | 116.6 | A2073 | D2071-A2073 VanDerWaalsContact C-N 3.32Å; D2071-A2073 PolarHBondContact O-N 2.93Å | ||
| 2072 | D | 42.1 | Very low | 54.3 | Low | 161.8 Ų | 161.8 | 112.3 Ų | 112.3 | 87% | 0.865 | 60% | 0.6 | S | S | * | * | trans | -111 | 52.8 | -177.4 | -88.7 | -34.8 | 0 | 0 | 0 | 114.2 | E2070 E2074 | E2070-D2072 VanDerWaalsContact C-N 3.33Å; E2070-D2072 PolarHBondContact O-N 2.83Å; E2070-D2072 VanDerWaalsContact O-N 3.08Å; D2072-E2074 PolarHBondContact O-N 3.05Å; D2072-E2074 VanDerWaalsContact O-N 3.12Å | ||
| 2073 | A | 46.2 | Very low | 56.8 | Low | 91.6 Ų | 91.6 | 107 Ų | 107 | 76% | 0.757 | 58% | 0.577 | S | S | * | * | trans | -74.3 | 105 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D2071 | D2071-A2073 VanDerWaalsContact C-N 3.32Å; D2071-A2073 PolarHBondContact O-N 2.93Å | ||
| 2074 | E | 57 | Low | 59.6 | Low | 135.8 Ų | 135.8 | 102.7 Ų | 102.7 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 128.9 | 176.7 | -80.3 | -166.5 | 174.5 | 0 | 0 | 110.7 | R1942 D2072 E2076 | R1942-E2074 IonicContact CZ-OE1 3.33Å; R1942-E2074 IonicContact NH1-OE1 3.22Å; R1942-E2074 PolarHBondContact NH1-OE1 2.85Å; R1942-E2074 IonicContact NH1-OE2 2.77Å; D2072-E2074 PolarHBondContact O-N 3.05Å; D2072-E2074 VanDerWaalsContact O-N 3.12Å; E2074-E2076 PolarHBondContact O-N 2.98Å |
| 2075 | P | 63.2 | Low | 62.4 | Low | 51 Ų | 51 | 99.3 Ų | 99.3 | 33% | 0.331 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 133.2 | -178.9 | 24.8 | -33.6 | 0 | 0 | 0 | 111.6 | L2053 I2054 R2055 F2077 | L2053-P2075 HydrophobicContact CB-CB 4.33Å; L2053-P2075 HydrophobicContact CD2-CB 4.27Å; L2053-P2075 HydrophobicContact CD2-CG 4.06Å; I2054-P2075 CarbonylContact O-C 3.54Å; R2055-P2075 HydrophobicContact CG-CB 4.19Å; P2075-F2077 PolarHBondContact O-N 3.01Å |
| 2076 | E | 73.3 | Confident | 65.2 | Low | 113.4 Ų | 113.4 | 96.4 Ų | 96.4 | 53% | 0.53 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 126 | -176 | -170.6 | 177.3 | 171.9 | 0 | 0 | 110.4 | L2053 I2054 N2056 E2074 Q2078 | L2053-E2076 WeakPolarHBondContact CA-O 3.39Å; I2054-E2076 HydrophobicContact CB-CB 4.46Å; I2054-E2076 PolarHBondContact N-O 2.9Å; I2054-E2076 PolarHBondContact O-N 3.03Å; N2056-E2076 PolarHBondContact ND2-OE2 2.97Å; E2074-E2076 PolarHBondContact O-N 2.98Å; E2076-Q2078 PolarHBondContact O-N 3.17Å |
| 2077 | F | 82 | Confident | 67.9 | Low | 24.6 Ų | 24.6 | 90.6 Ų | 90.6 | 11% | 0.108 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 94.2 | -175.7 | -179.5 | -118.6 | 0 | 0 | 0 | 111.3 | A2010 R2012 A2049 L2053 P2075 R2079 | A2010-F2077 HydrophobicContact CB-CD2 4.39Å; A2010-F2077 HydrophobicContact CB-CE2 3.89Å; A2010-F2077 WeakPolarHBondContact O-CE2 3.38Å; R2012-F2077 HydrophobicContact CB-CD1 4.45Å; R2012-F2077 HydrophobicContact CB-CE1 4Å; R2012-F2077 HydrophobicContact CB-CE2 4.43Å; R2012-F2077 HydrophobicContact CB-CZ 4.11Å; A2049-F2077 HydrophobicContact CB-CE1 3.75Å; A2049-F2077 HydrophobicContact CB-CZ 4.28Å; L2053-F2077 HydrophobicContact CD2-CB 4.16Å; L2053-F2077 HydrophobicContact CD2-CD2 4Å; L2053-F2077 HydrophobicContact CD2-CG 4.31Å; L2053-F2077 HydrophobicContact CG-CD2 4.34Å; P2075-F2077 PolarHBondContact O-N 3.01Å; F2077-R2079 HydrophobicContact CD1-CG 3.8Å; F2077-R2079 HydrophobicContact CE1-CG 3.73Å; F2077-R2079 PolarHBondContact O-N 2.86Å; F2077-R2079 VanDerWaalsContact O-N 3.09Å |
| 2078 | Q | 84 | Confident | 70.9 | Confident | 88.6 Ų | 88.6 | 83.6 Ų | 83.6 | 41% | 0.414 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 100.9 | 177.9 | -165.2 | -166.9 | 33.2 | 0 | 0 | 110.3 | G2051 Q2052 I2054 E2076 | G2051-Q2078 CarbonylContact C-O 3.54Å; G2051-Q2078 WeakPolarHBondContact CA-O 3.31Å; Q2052-Q2078 PolarHBondContact N-O 3.22Å; Q2052-Q2078 VanDerWaalsContact N-O 3.1Å; Q2052-Q2078 PolarHBondContact O-N 2.87Å; I2054-Q2078 HydrophobicContact CD1-CB 3.98Å; I2054-Q2078 HydrophobicContact CG1-CB 4.5Å; E2076-Q2078 PolarHBondContact O-N 3.17Å |
| 2079 | R | 86.6 | Confident | 74 | Confident | 108.6 Ų | 108.6 | 77.7 Ų | 77.7 | 41% | 0.41 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.3 | 179.1 | -63.7 | 177 | 174 | 138.2 | -5.4 | 110.8 | E2014 A2049 F2077 | E2014-R2079 IonicContact OE1-NH2 3.29Å; E2014-R2079 PolarHBondContact OE1-NH2 3.09Å; E2014-R2079 IonicContact OE2-CZ 2.68Å; E2014-R2079 IonicContact OE2-NH2 3.27Å; E2014-R2079 PolarHBondContact OE2-NH2 2.86Å; A2049-R2079 HydrophobicContact CB-CG 4.2Å; F2077-R2079 HydrophobicContact CD1-CG 3.8Å; F2077-R2079 HydrophobicContact CE1-CG 3.73Å; F2077-R2079 PolarHBondContact O-N 2.86Å; F2077-R2079 VanDerWaalsContact O-N 3.09Å |
| 2080 | S | 86.6 | Confident | 76.9 | Confident | 4.6 Ų | 4.6 | 73.4 Ų | 73.4 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -24.6 | 172.2 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | L2050 Q2127 K2133 | L2050-S2080 PolarHBondContact O-N 3.23Å; S2080-Q2127 VanDerWaalsContact O-CB 3.25Å; S2080-Q2127 WeakPolarHBondContact O-CB 3.44Å; S2080-Q2127 VanDerWaalsContact O-CG 3.26Å; S2080-Q2127 WeakPolarHBondContact O-CG 3.33Å; S2080-Q2127 PolarHBondContact O-N 3.17Å; S2080-Q2127 VanDerWaalsContact O-N 3.12Å; S2080-Q2127 PolarHBondContact OG-OE1 3.07Å; S2080-K2133 PolarHBondContact OG-NZ 3.05Å |
| 2081 | A | 92 | Very high | 79.6 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A2049 L2050 Y2125 V2126 A2130 | A2049-A2081 CarbonylContact C-O 3.55Å; A2049-A2081 VanDerWaalsContact CA-O 3.27Å; A2049-A2081 WeakPolarHBondContact CA-O 3.24Å; L2050-A2081 HydrophobicContact CB-CB 4.39Å; L2050-A2081 PolarHBondContact N-O 3.09Å; L2050-A2081 PolarHBondContact O-N 3.01Å; A2081-Y2125 CarbonylContact C-O 3.56Å; A2081-Y2125 WeakPolarHBondContact CA-O 3.28Å; A2081-Y2125 VanDerWaalsContact CB-O 3.29Å; A2081-Y2125 WeakPolarHBondContact CB-O 3.41Å; A2081-V2126 HydrophobicContact CB-CB 4.39Å; A2081-V2126 HydrophobicContact CB-CG1 4.31Å; A2081-V2126 HydrophobicContact CB-CG2 4.32Å; A2081-A2130 HydrophobicContact CB-CB 3.59Å |
| 2082 | F | 93 | Very high | 81.3 | Confident | 22.2 Ų | 22.2 | 59.8 Ų | 59.8 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 151.5 | 170.9 | 67.1 | -96.4 | 0 | 0 | 0 | 112.5 | L2048 A2049 R2084 V2123 L2124 Y2125 P2265 W2268 M2269 | L2048-F2082 CarbonylContact O-C 3.53Å; L2048-F2082 VanDerWaalsContact O-CA 3.28Å; L2048-F2082 WeakPolarHBondContact O-CA 3.4Å; A2049-F2082 HydrophobicContact CB-CB 3.97Å; F2082-R2084 HydrophobicContact CD2-CG 4.02Å; F2082-R2084 HydrophobicContact CE2-CG 4.37Å; F2082-V2123 HydrophobicContact CE2-CG1 4.22Å; F2082-L2124 CarbonylContact O-C 3.41Å; F2082-L2124 WeakPolarHBondContact O-CA 3.37Å; F2082-Y2125 AromaticContact CD1-CD1 3.74Å; F2082-Y2125 HydrophobicContact CD1-CD1 3.74Å; F2082-Y2125 HydrophobicContact CD1-CG 4.18Å; F2082-Y2125 VanDerWaalsContact CE1-CB 3.47Å; F2082-Y2125 AromaticContact CE1-CD1 3.53Å; F2082-Y2125 HydrophobicContact CE1-CD1 3.53Å; F2082-Y2125 VanDerWaalsContact CE1-CD1 3.42Å; F2082-Y2125 HydrophobicContact CE1-CE1 4.36Å; F2082-Y2125 AromaticContact CE1-CG 3.68Å; F2082-Y2125 HydrophobicContact CE1-CG 3.68Å; F2082-Y2125 VanDerWaalsContact CZ-CB 3.49Å; F2082-Y2125 HydrophobicContact CZ-CD1 4.38Å; F2082-Y2125 HydrophobicContact CZ-CG 4.13Å; F2082-Y2125 PolarHBondContact N-O 3.02Å; F2082-Y2125 PolarHBondContact O-N 2.93Å; F2082-P2265 HydrophobicContact CE1-CB 4.25Å; F2082-P2265 HydrophobicContact CZ-CB 3.97Å; F2082-P2265 HydrophobicContact CZ-CG 4.26Å; F2082-W2268 HydrophobicContact CZ-CH2 4.22Å; F2082-W2268 HydrophobicContact CZ-CZ2 4Å; F2082-M2269 HydrophobicContact CE2-SD 4.46Å; F2082-M2269 HydrophobicContact CZ-SD 4.34Å |
| 2083 | L | 94.1 | Very high | 82.3 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.5 | 167.3 | 171.8 | 65.9 | 0 | 0 | 0 | 107.3 | S2047 L2048 P2122 V2123 L2124 | S2047-L2083 CarbonylContact C-O 3.54Å; S2047-L2083 VanDerWaalsContact CA-O 3.22Å; S2047-L2083 WeakPolarHBondContact CA-O 3.37Å; S2047-L2083 PolarHBondContact OG-O 2.91Å; L2048-L2083 HydrophobicContact CB-CB 4.4Å; L2048-L2083 PolarHBondContact N-O 2.95Å; L2048-L2083 PolarHBondContact O-N 3.01Å; L2083-P2122 HydrophobicContact CD1-CB 4.5Å; L2083-V2123 CarbonylContact C-O 3.55Å; L2083-V2123 VanDerWaalsContact CA-O 3.3Å; L2083-V2123 WeakPolarHBondContact CA-O 3.34Å; L2083-L2124 HydrophobicContact CB-CD1 4.12Å; L2083-L2124 HydrophobicContact CD1-CB 4.13Å; L2083-L2124 HydrophobicContact CD1-CD1 4.45Å |
| 2084 | R | 92.7 | Very high | 82.7 | Confident | 115.2 Ų | 115.2 | 51.2 Ų | 51.2 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.2 | 172 | -108.7 | 176.5 | -178.6 | 170 | 0.1 | 109.5 | E2016 L2046 F2082 P2122 V2123 | E2016-R2084 IonicContact OE2-NH2 3.21Å; L2046-R2084 CarbonylContact O-C 3.53Å; L2046-R2084 VanDerWaalsContact O-CA 3.29Å; L2046-R2084 WeakPolarHBondContact O-CA 3.34Å; F2082-R2084 HydrophobicContact CD2-CG 4.02Å; F2082-R2084 HydrophobicContact CE2-CG 4.37Å; R2084-P2122 CarbonylContact O-C 3.53Å; R2084-P2122 VanDerWaalsContact O-CA 3.27Å; R2084-P2122 WeakPolarHBondContact O-CA 3.36Å; R2084-V2123 PolarHBondContact N-O 2.95Å; R2084-V2123 PolarHBondContact O-N 3.03Å |
| 2085 | T | 94 | Very high | 82.4 | Confident | 12.6 Ų | 12.6 | 48.8 Ų | 48.8 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 151 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | L2046 V2087 L2119 R2120 | L2046-T2085 WeakPolarHBondContact CA-O 3.34Å; L2046-T2085 HydrophobicContact CB-CG2 4.06Å; L2046-T2085 WeakPolarHBondContact CB-O 3.33Å; L2046-T2085 HydrophobicContact CD2-CG2 4.27Å; L2046-T2085 PolarHBondContact N-O 2.91Å; L2046-T2085 PolarHBondContact O-N 3.26Å; L2046-T2085 VanDerWaalsContact O-O 3.1Å; T2085-V2087 HydrophobicContact CG2-CG2 3.81Å; T2085-L2119 HydrophobicContact CG2-CD2 4.39Å; T2085-R2120 PolarHBondContact OG1-O 2.96Å |
| 2086 | R | 93.9 | Very high | 81.7 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 26% | 0.26 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.3 | 164.1 | -165.2 | -177.6 | -173.1 | 111.2 | 3.7 | 109.1 | Q2017 D2043 M2044 L2119 R2120 | Q2017-R2086 VanDerWaalsContact OE1-NH1 3.09Å; D2043-R2086 IonicContact OD1-CZ 3.23Å; D2043-R2086 IonicContact OD1-NE 3.39Å; D2043-R2086 PolarHBondContact OD1-NE 3Å; D2043-R2086 VanDerWaalsContact OD1-NE 3.08Å; D2043-R2086 IonicContact OD1-NH2 3.45Å; D2043-R2086 PolarHBondContact OD1-NH2 2.94Å; D2043-R2086 IonicContact OD2-CZ 3.19Å; D2043-R2086 IonicContact OD2-NE 2.94Å; D2043-R2086 PolarHBondContact OD2-NE 2.91Å; D2043-R2086 IonicContact OD2-NH2 3.25Å; D2043-R2086 PolarHBondContact OD2-NH2 3.23Å; M2044-R2086 CarbonylContact O-C 3.5Å; M2044-R2086 VanDerWaalsContact O-CA 3.31Å; M2044-R2086 WeakPolarHBondContact O-CA 3.38Å; M2044-R2086 WeakPolarHBondContact O-CG 3.37Å; R2086-L2119 CarbonylContact O-C 3.53Å; R2086-L2119 WeakPolarHBondContact O-CA 3.37Å; R2086-R2120 HydrophobicContact CB-CB 4.08Å; R2086-R2120 HydrophobicContact CB-CG 4.45Å; R2086-R2120 PolarHBondContact N-O 3.06Å; R2086-R2120 VanDerWaalsContact N-O 3.13Å; R2086-R2120 PolarHBondContact O-N 2.99Å |
| 2087 | V | 93.5 | Very high | 80.3 | Confident | 14.4 Ų | 14.4 | 54.5 Ų | 54.5 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.1 | -178.5 | -169.1 | 0 | 0 | 0 | 0 | 109 | D2043 M2044 L2046 T2085 L2089 V2117 A2118 L2119 | D2043-V2087 WeakPolarHBondContact CA-O 3.33Å; M2044-V2087 HydrophobicContact CG-CB 4.12Å; M2044-V2087 PolarHBondContact N-O 3.04Å; M2044-V2087 PolarHBondContact O-N 3.16Å; L2046-V2087 HydrophobicContact CB-CG2 4Å; L2046-V2087 HydrophobicContact CD2-CG2 4.1Å; T2085-V2087 HydrophobicContact CG2-CG2 3.81Å; V2087-L2089 HydrophobicContact CG1-CD2 3.67Å; V2087-L2089 HydrophobicContact CG1-CG 3.9Å; V2087-V2117 HydrophobicContact CG1-CG1 4.47Å; V2087-A2118 WeakPolarHBondContact CA-O 3.35Å; V2087-L2119 HydrophobicContact CB-CD2 4.22Å; V2087-L2119 HydrophobicContact CG1-CD2 3.98Å; V2087-L2119 HydrophobicContact CG2-CD2 3.78Å |
| 2088 | T | 93.9 | Very high | 78.4 | Confident | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.1 | 166.5 | -32.8 | 0 | 0 | 0 | 0 | 109.6 | I2041 A2042 D2043 V2117 A2118 | I2041-T2088 HydrophobicContact CG2-CG2 4.27Å; A2042-T2088 CarbonylContact O-C 3.54Å; A2042-T2088 VanDerWaalsContact O-CA 3.28Å; A2042-T2088 WeakPolarHBondContact O-CA 3.38Å; D2043-T2088 HydrophobicContact CB-CG2 4.27Å; D2043-T2088 PolarHBondContact OD1-OG1 3.11Å; T2088-V2117 CarbonylContact O-C 3.56Å; T2088-V2117 WeakPolarHBondContact O-CA 3.36Å; T2088-A2118 PolarHBondContact N-O 3.09Å; T2088-A2118 PolarHBondContact O-N 2.87Å; T2088-A2118 WeakPolarHBondContact OG1-CB 3.48Å |
| 2089 | L | 92.1 | Very high | 76.4 | Confident | 52.8 Ų | 52.8 | 66.1 Ų | 66.1 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.1 | 177.8 | -52 | 174 | 0 | 0 | 0 | 109 | W2040 I2041 A2042 V2087 F2116 V2117 | W2040-L2089 HydrophobicContact CH2-CB 4.25Å; W2040-L2089 HydrophobicContact CZ3-CB 3.7Å; I2041-L2089 CarbonylContact C-O 3.56Å; I2041-L2089 VanDerWaalsContact CA-O 3.29Å; I2041-L2089 WeakPolarHBondContact CA-O 3.32Å; A2042-L2089 HydrophobicContact CB-CB 4.29Å; A2042-L2089 PolarHBondContact N-O 2.91Å; A2042-L2089 PolarHBondContact O-N 2.95Å; V2087-L2089 HydrophobicContact CG1-CD2 3.67Å; V2087-L2089 HydrophobicContact CG1-CG 3.9Å; L2089-F2116 CarbonylContact C-O 3.57Å; L2089-F2116 WeakPolarHBondContact CA-O 3.37Å; L2089-V2117 HydrophobicContact CD2-CB 4.15Å; L2089-V2117 HydrophobicContact CD2-CG1 3.76Å; L2089-V2117 HydrophobicContact CD2-CG2 3.68Å |
| 2090 | Q | 89.5 | Confident | 74.2 | Confident | 33.8 Ų | 33.8 | 68.6 Ų | 68.6 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 146.7 | 176.3 | 132.6 | 177.6 | 1.7 | 0 | 0 | 111.1 | W2040 I2041 V2092 F2116 | W2040-Q2090 WeakPolarHBondContact O-CA 3.37Å; I2041-Q2090 HydrophobicContact CB-CB 4.44Å; I2041-Q2090 HydrophobicContact CG1-CB 4.19Å; I2041-Q2090 HydrophobicContact CG1-CG 3.97Å; I2041-Q2090 HydrophobicContact CG2-CB 4.44Å; Q2090-V2092 HydrophobicContact CG-CG2 3.95Å; Q2090-F2116 HydrophobicContact CB-CB 4.44Å; Q2090-F2116 HydrophobicContact CB-CD1 4.44Å; Q2090-F2116 HydrophobicContact CG-CB 3.72Å; Q2090-F2116 HydrophobicContact CG-CD1 3.87Å; Q2090-F2116 HydrophobicContact CG-CG 4.21Å; Q2090-F2116 PolarHBondContact N-O 3.15Å; Q2090-F2116 PolarHBondContact O-N 2.93Å |
| 2091 | N | 85.9 | Confident | 71.7 | Confident | 30.8 Ų | 30.8 | 77.2 Ų | 77.2 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 141.1 | 161.2 | 68.2 | -28.6 | 0 | 0 | 0 | 111.1 | V2038 Q2039 W2040 Y2115 | V2038-N2091 PolarHBondContact O-ND2 3.01Å; Q2039-N2091 VanDerWaalsContact CA-OD1 3.3Å; Q2039-N2091 WeakPolarHBondContact CA-OD1 3.35Å; Q2039-N2091 WeakPolarHBondContact CG-OD1 3.23Å; Q2039-N2091 PolarHBondContact NE2-O 2.96Å; W2040-N2091 VanDerWaalsContact CD1-CG 3.47Å; W2040-N2091 VanDerWaalsContact CD1-OD1 3.24Å; W2040-N2091 HydrophobicContact CD2-CB 4.45Å; W2040-N2091 HydrophobicContact CZ2-CB 4.17Å; W2040-N2091 PolarHBondContact N-OD1 3.08Å; W2040-N2091 VanDerWaalsContact NE1-CG 3.33Å; W2040-N2091 PolarHBondContact O-N 2.92Å; W2040-N2091 PolarHBondContact O-OD1 3.03Å; W2040-N2091 VanDerWaalsContact O-OD1 3.05Å; N2091-Y2115 HydrophobicContact CB-CD1 4.34Å; N2091-Y2115 HydrophobicContact CB-CE1 4.38Å |
| 2092 | V | 72 | Confident | 69.1 | Low | 35.2 Ų | 35.2 | 85.9 Ų | 85.9 | 21% | 0.213 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 126.9 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | Q2090 A2094 S2114 F2116 | Q2090-V2092 HydrophobicContact CG-CG2 3.95Å; V2092-A2094 PolarHBondContact O-N 2.94Å; V2092-S2114 WeakPolarHBondContact CB-OG 3.36Å; V2092-S2114 PolarHBondContact N-O 3.03Å; V2092-S2114 CarbonylContact O-C 3.5Å; V2092-S2114 WeakPolarHBondContact O-CA 3.41Å; V2092-S2114 WeakPolarHBondContact O-CB 3.35Å; V2092-S2114 PolarHBondContact O-N 3Å; V2092-S2114 VanDerWaalsContact O-N 3.09Å; V2092-S2114 PolarHBondContact O-OG 3.12Å; V2092-F2116 HydrophobicContact CG2-CB 4.22Å |
| 2093 | D | 62.2 | Low | 66.4 | Low | 39.2 Ų | 39.2 | 90.5 Ų | 90.5 | 21% | 0.21 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.7 | 168.5 | -73.3 | -30.1 | 0 | 0 | 0 | 108.3 | H2028 R2037 Q2039 | H2028-D2093 HydrophobicContact CB-CB 3.87Å; H2028-D2093 PolarHBondContact CD2-O 3.14Å; H2028-D2093 VanDerWaalsContact CD2-O 3.27Å; H2028-D2093 PolarHBondContact NE2-O 3.09Å; R2037-D2093 VanDerWaalsContact CD-OD2 3.31Å; R2037-D2093 WeakPolarHBondContact CD-OD2 3.32Å; R2037-D2093 IonicContact CZ-OD1 3.88Å; R2037-D2093 IonicContact CZ-OD2 3.09Å; R2037-D2093 IonicContact NE-OD2 3.41Å; R2037-D2093 IonicContact NH1-OD1 3.08Å; R2037-D2093 PolarHBondContact NH1-OD1 3.02Å; R2037-D2093 IonicContact NH1-OD2 3.09Å; R2037-D2093 PolarHBondContact NH1-OD2 2.83Å; R2037-D2093 VanDerWaalsContact NH1-OD2 3.09Å; Q2039-D2093 PolarHBondContact NE2-OD2 3.46Å |
| 2094 | A | 55.4 | Low | 63.4 | Low | 33.4 Ų | 33.4 | 92.5 Ų | 92.5 | 28% | 0.276 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 137 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | V2092 Q2096 A2112 | V2092-A2094 PolarHBondContact O-N 2.94Å; A2094-Q2096 PolarHBondContact O-N 3.01Å; A2094-Q2096 VanDerWaalsContact O-N 3.16Å; A2094-A2112 HydrophobicContact CB-CB 4.22Å; A2094-A2112 WeakPolarHBondContact CB-O 3.3Å; A2094-A2112 PolarHBondContact N-O 2.99Å |
| 2095 | P | 51.2 | Low | 60.3 | Low | 86 Ų | 86 | 90.2 Ų | 90.2 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 119.9 | 171.6 | 27.2 | -32.1 | 0 | 0 | 0 | 109.3 | H2028 N2097 | H2028-P2095 WeakPolarHBondContact NE2-CD 3.35Å; P2095-N2097 PolarHBondContact O-N 2.99Å; P2095-N2097 VanDerWaalsContact O-N 3.14Å |
| 2096 | Q | 48.6 | Very low | 57.4 | Low | 152.6 Ų | 152.6 | 96 Ų | 96 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | trans | -69.7 | 110.2 | 164.2 | -72.7 | 179.6 | -26.2 | 0 | 0 | 107.7 | A2094 E2098 | A2094-Q2096 PolarHBondContact O-N 3.01Å; A2094-Q2096 VanDerWaalsContact O-N 3.16Å; Q2096-E2098 PolarHBondContact O-N 2.97Å | ||
| 2097 | N | 43.8 | Very low | 54.4 | Low | 132 Ų | 132 | 100 Ų | 100 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | trans | -68.5 | 115.4 | 175.5 | -76.9 | -18 | 0 | 0 | 0 | 109.4 | P2095 Q2099 | P2095-N2097 PolarHBondContact O-N 2.99Å; P2095-N2097 VanDerWaalsContact O-N 3.14Å; N2097-Q2099 PolarHBondContact O-N 2.92Å | ||
| 2098 | E | 41.7 | Very low | 51.7 | Low | 182.2 Ų | 182.2 | 104.8 Ų | 104.8 | 85% | 0.851 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 35.9 | -178.9 | -60.4 | -179 | 134.6 | 0 | 0 | 113.6 | K2031 Q2096 | K2031-E2098 IonicContact NZ-OE1 3.38Å; K2031-E2098 PolarHBondContact NZ-OE1 3.16Å; K2031-E2098 IonicContact NZ-OE2 3.1Å; Q2096-E2098 PolarHBondContact O-N 2.97Å |
| 2099 | Q | 42.4 | Very low | 49.2 | Very low | 174.4 Ų | 174.4 | 112.1 Ų | 112.1 | 82% | 0.815 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -18 | -172.4 | -75.8 | -169.4 | -31.6 | 0 | 0 | 116.7 | N2097 Q2101 | N2097-Q2099 PolarHBondContact O-N 2.92Å; Q2099-Q2101 VanDerWaalsContact C-N 3.34Å; Q2099-Q2101 PolarHBondContact O-N 3.13Å; Q2099-Q2101 VanDerWaalsContact O-N 3.11Å |
| 2100 | D | 39.3 | Very low | 47 | Very low | 160.8 Ų | 160.8 | 111.8 Ų | 111.8 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | trans | -102.5 | 62.7 | 179.1 | -67.3 | -44.2 | 0 | 0 | 0 | 112.2 | E2102 | D2100-E2102 VanDerWaalsContact C-N 3.34Å; D2100-E2102 PolarHBondContact O-N 3.5Å | ||
| 2101 | Q | 35.4 | Very low | 45.2 | Very low | 184.6 Ų | 184.6 | 112.6 Ų | 112.6 | 86% | 0.863 | 64% | 0.635 | S | S | * | * | trans | -116.8 | 43.2 | 177.5 | -144.1 | 174.1 | 93.2 | 0 | 0 | 112.9 | Q2099 | Q2099-Q2101 VanDerWaalsContact C-N 3.34Å; Q2099-Q2101 PolarHBondContact O-N 3.13Å; Q2099-Q2101 VanDerWaalsContact O-N 3.11Å | ||
| 2102 | E | 36.1 | Very low | 43.9 | Very low | 195 Ų | 195 | 112.4 Ų | 112.4 | 91% | 0.911 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -139.6 | 46.2 | 170.8 | -104.6 | -178.8 | -153.6 | 0 | 0 | 113.4 | D2100 | D2100-E2102 VanDerWaalsContact C-N 3.34Å; D2100-E2102 PolarHBondContact O-N 3.5Å |
| 2103 | S | 37.5 | Very low | 43.6 | Very low | 117.8 Ų | 117.8 | 113.2 Ų | 113.2 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -153.9 | 119.4 | 163.7 | -36.8 | 0 | 0 | 0 | 0 | 110.7 | G2105 | S2103-G2105 PolarHBondContact O-N 2.99Å; S2103-G2105 VanDerWaalsContact O-N 3.09Å |
| 2104 | G | 29.3 | Very low | 44.1 | Very low | 95 Ų | 95 | 112.4 Ų | 112.4 | 98% | 0.979 | 64% | 0.64 | S | S | * | * | trans | -74 | 113.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2105 | G | 28.5 | Very low | 45.6 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | trans | -173.2 | 112 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2103 | S2103-G2105 PolarHBondContact O-N 2.99Å; S2103-G2105 VanDerWaalsContact O-N 3.09Å | ||
| 2106 | V | 32.9 | Very low | 47.4 | Very low | 135.2 Ų | 135.2 | 113.2 Ų | 113.2 | 82% | 0.819 | 63% | 0.627 | S | S | * | * | trans | 50.1 | 118.8 | 166.2 | -167.7 | 0 | 0 | 0 | 0 | 117.2 | M2108 | V2106-M2108 PolarHBondContact O-N 3.09Š| ||
| 2107 | N | 31.8 | Very low | 49.4 | Very low | 152.2 Ų | 152.2 | 107.2 Ų | 107.2 | 81% | 0.814 | 60% | 0.6 | S | S | * | * | trans | -51.9 | 110.1 | 168.7 | -63.9 | 2.9 | 0 | 0 | 0 | 111.3 | ||||
| 2108 | M | 36.2 | Very low | 51.8 | Low | 115 Ų | 115 | 101 Ų | 101 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | trans | -118.5 | 70.4 | 175.8 | -162.1 | 119.3 | 93.8 | 0 | 0 | 110 | V2106 N2110 Y2191 | V2106-M2108 PolarHBondContact O-N 3.09Å; M2108-N2110 HydrophobicContact CG-CB 4.13Å; M2108-N2110 PolarHBondContact O-N 3.15Å; M2108-N2110 PolarHBondContact SD-ND2 3.04Å; M2108-N2110 VanDerWaalsContact SD-ND2 3.4Å; M2108-Y2191 HydrophobicContact CE-CD2 4.28Å; M2108-Y2191 HydrophobicContact CE-CE2 3.61Å; M2108-Y2191 WeakPolarHBondContact CE-OH 3.48Å; M2108-Y2191 HydrophobicContact CG-CE2 4.29Å; M2108-Y2191 HydrophobicContact SD-CE2 3.6Å; M2108-Y2191 WeakPolarHBondContact SD-CE2 3.38Å; M2108-Y2191 PolarHBondContact SD-OH 3.04Å | ||
| 2109 | E | 41.7 | Very low | 54.2 | Low | 179 Ų | 179 | 94.1 Ų | 94.1 | 84% | 0.836 | 54% | 0.537 | S | S | * | . | trans | -71.1 | 37 | 173.5 | -64.4 | -178.7 | 159.6 | 0 | 0 | 112.4 | A2111 | E2109-A2111 VanDerWaalsContact C-N 3.3Å; E2109-A2111 PolarHBondContact O-N 2.98Å; E2109-A2111 VanDerWaalsContact O-N 3.12Å | ||
| 2110 | N | 46.5 | Very low | 56.6 | Low | 47.4 Ų | 47.4 | 90.4 Ų | 90.4 | 25% | 0.253 | 52% | 0.515 | S | S | . | . | trans | -85.9 | 93.6 | -179.6 | -70.9 | -13.8 | 0 | 0 | 0 | 109.7 | M2108 A2112 S2189 | M2108-N2110 HydrophobicContact CG-CB 4.13Å; M2108-N2110 PolarHBondContact O-N 3.15Å; M2108-N2110 PolarHBondContact SD-ND2 3.04Å; M2108-N2110 VanDerWaalsContact SD-ND2 3.4Å; N2110-A2112 PolarHBondContact O-N 3.01Å; N2110-A2112 VanDerWaalsContact O-N 3.1Å; N2110-S2189 VanDerWaalsContact ND2-CB 3.28Å; N2110-S2189 WeakPolarHBondContact ND2-CB 3.3Å; N2110-S2189 PolarHBondContact ND2-O 3.14Å; N2110-S2189 PolarHBondContact ND2-OG 3.13Å | ||
| 2111 | A | 51.6 | Low | 59 | Low | 50.8 Ų | 50.8 | 86.4 Ų | 86.4 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | trans | -56.9 | 109.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R2037 E2109 T2113 | R2037-A2111 VanDerWaalsContact NH2-CB 3.32Å; E2109-A2111 VanDerWaalsContact C-N 3.3Å; E2109-A2111 PolarHBondContact O-N 2.98Å; E2109-A2111 VanDerWaalsContact O-N 3.12Å; A2111-T2113 PolarHBondContact O-N 3.15Å; A2111-T2113 VanDerWaalsContact O-N 3.11Å | ||
| 2112 | A | 57.9 | Low | 61.7 | Low | 25 Ų | 25 | 77.9 Ų | 77.9 | 21% | 0.207 | 45% | 0.452 | C | S | . | . | trans | -75.8 | 107.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A2094 N2110 S2114 Y2191 F2193 | A2094-A2112 HydrophobicContact CB-CB 4.22Å; A2094-A2112 WeakPolarHBondContact CB-O 3.3Å; A2094-A2112 PolarHBondContact N-O 2.99Å; N2110-A2112 PolarHBondContact O-N 3.01Å; N2110-A2112 VanDerWaalsContact O-N 3.1Å; A2112-S2114 PolarHBondContact O-N 2.85Å; A2112-Y2191 WeakPolarHBondContact CA-O 3.19Å; A2112-F2193 HydrophobicContact CB-CD2 4.08Å; A2112-F2193 HydrophobicContact CB-CE2 3.99Å | ||
| 2113 | T | 65.2 | Low | 64.4 | Low | 52.6 Ų | 52.6 | 68.9 Ų | 68.9 | 32% | 0.323 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124 | 170.4 | 52.9 | 0 | 0 | 0 | 0 | 109 | A2111 Y2191 N2192 F2193 | A2111-T2113 PolarHBondContact O-N 3.15Å; A2111-T2113 VanDerWaalsContact O-N 3.11Å; T2113-Y2191 PolarHBondContact N-O 3.07Å; T2113-N2192 PolarHBondContact OG1-OD1 3.18Å; T2113-N2192 VanDerWaalsContact OG1-OD1 3.08Å; T2113-F2193 PolarHBondContact O-N 3.09Å |
| 2114 | S | 74.2 | Confident | 67.1 | Low | 23 Ų | 23 | 65.8 Ų | 65.8 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139 | 172.6 | 77.3 | 0 | 0 | 0 | 0 | 111.6 | V2092 A2112 F2193 | V2092-S2114 WeakPolarHBondContact CB-OG 3.36Å; V2092-S2114 PolarHBondContact N-O 3.03Å; V2092-S2114 CarbonylContact O-C 3.5Å; V2092-S2114 WeakPolarHBondContact O-CA 3.41Å; V2092-S2114 WeakPolarHBondContact O-CB 3.35Å; V2092-S2114 PolarHBondContact O-N 3Å; V2092-S2114 VanDerWaalsContact O-N 3.09Å; V2092-S2114 PolarHBondContact O-OG 3.12Å; A2112-S2114 PolarHBondContact O-N 2.85Å; S2114-F2193 CarbonylContact C-O 3.45Å; S2114-F2193 VanDerWaalsContact CA-O 3.25Å; S2114-F2193 WeakPolarHBondContact CA-O 3.35Å |
| 2115 | Y | 85.5 | Confident | 70 | Confident | 85.6 Ų | 85.6 | 61.7 Ų | 61.7 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.2 | 178 | -60 | -82.4 | 0 | 0 | 0 | 108.5 | W2040 N2091 F2193 L2194 Q2195 | W2040-Y2115 HydrophobicContact CH2-CD1 4.39Å; W2040-Y2115 AromaticContact CZ2-CD1 3.87Å; W2040-Y2115 HydrophobicContact CZ2-CD1 3.97Å; W2040-Y2115 AromaticContact CZ2-CE1 3.91Å; W2040-Y2115 HydrophobicContact CZ2-CE1 4.02Å; N2091-Y2115 HydrophobicContact CB-CD1 4.34Å; N2091-Y2115 HydrophobicContact CB-CE1 4.38Å; Y2115-F2193 PolarHBondContact N-O 3Å; Y2115-L2194 CarbonylContact O-C 3.52Å; Y2115-L2194 WeakPolarHBondContact O-CA 3.39Å; Y2115-Q2195 PolarHBondContact O-N 2.97Å |
| 2116 | F | 88.7 | Confident | 73 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.3 | 178.6 | 177.7 | -95.5 | 0 | 0 | 0 | 109.8 | L2089 Q2090 V2092 A2118 Q2195 T2197 | L2089-F2116 CarbonylContact C-O 3.57Å; L2089-F2116 WeakPolarHBondContact CA-O 3.37Å; Q2090-F2116 HydrophobicContact CB-CB 4.44Å; Q2090-F2116 HydrophobicContact CB-CD1 4.44Å; Q2090-F2116 HydrophobicContact CG-CB 3.72Å; Q2090-F2116 HydrophobicContact CG-CD1 3.87Å; Q2090-F2116 HydrophobicContact CG-CG 4.21Å; Q2090-F2116 PolarHBondContact N-O 3.15Å; Q2090-F2116 PolarHBondContact O-N 2.93Å; V2092-F2116 HydrophobicContact CG2-CB 4.22Å; F2116-A2118 HydrophobicContact CE1-CB 3.81Å; F2116-A2118 HydrophobicContact CZ-CB 4.08Å; F2116-Q2195 CarbonylContact C-O 3.52Å; F2116-Q2195 WeakPolarHBondContact CA-O 3.32Å; F2116-Q2195 HydrophobicContact CD2-CB 4.31Å; F2116-Q2195 HydrophobicContact CD2-CG 4.38Å; F2116-Q2195 HydrophobicContact CE2-CG 4.4Å; F2116-T2197 HydrophobicContact CE2-CG2 3.87Å; F2116-T2197 WeakPolarHBondContact CE2-OG1 3.25Å; F2116-T2197 HydrophobicContact CZ-CG2 4.29Å; F2116-T2197 VanDerWaalsContact CZ-OG1 3.28Å; F2116-T2197 WeakPolarHBondContact CZ-OG1 3.34Å |
| 2117 | V | 92.2 | Very high | 75.6 | Confident | 24.8 Ų | 24.8 | 55.1 Ų | 55.1 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 107.4 | -178.1 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | V2087 T2088 L2089 L2194 Q2195 F2196 T2197 | V2087-V2117 HydrophobicContact CG1-CG1 4.47Å; T2088-V2117 CarbonylContact O-C 3.56Å; T2088-V2117 WeakPolarHBondContact O-CA 3.36Å; L2089-V2117 HydrophobicContact CD2-CB 4.15Å; L2089-V2117 HydrophobicContact CD2-CG1 3.76Å; L2089-V2117 HydrophobicContact CD2-CG2 3.68Å; V2117-L2194 HydrophobicContact CG2-CD1 3.76Å; V2117-Q2195 PolarHBondContact N-O 3.12Å; V2117-F2196 HydrophobicContact CB-CD1 3.56Å; V2117-F2196 HydrophobicContact CB-CD2 4.29Å; V2117-F2196 HydrophobicContact CB-CE1 3.94Å; V2117-F2196 HydrophobicContact CB-CG 4.31Å; V2117-F2196 HydrophobicContact CG1-CD1 3.54Å; V2117-F2196 HydrophobicContact CG1-CD2 3.89Å; V2117-F2196 HydrophobicContact CG1-CE1 3.82Å; V2117-F2196 HydrophobicContact CG1-CE2 4.43Å; V2117-F2196 HydrophobicContact CG2-CD1 4.21Å; V2117-F2196 HydrophobicContact CG2-CE1 4.11Å; V2117-F2196 CarbonylContact O-C 3.54Å; V2117-F2196 VanDerWaalsContact O-CA 3.24Å; V2117-F2196 WeakPolarHBondContact O-CA 3.27Å; V2117-T2197 PolarHBondContact O-N 2.9Å |
| 2118 | A | 92.9 | Very high | 78 | Confident | 3.4 Ų | 3.4 | 48.4 Ų | 48.4 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V2087 T2088 F2116 T2197 | V2087-A2118 WeakPolarHBondContact CA-O 3.35Å; T2088-A2118 PolarHBondContact N-O 3.09Å; T2088-A2118 PolarHBondContact O-N 2.87Å; T2088-A2118 WeakPolarHBondContact OG1-CB 3.48Å; F2116-A2118 HydrophobicContact CE1-CB 3.81Å; F2116-A2118 HydrophobicContact CZ-CB 4.08Å; A2118-T2197 CarbonylContact C-O 3.51Å; A2118-T2197 WeakPolarHBondContact CA-O 3.31Å; A2118-T2197 WeakPolarHBondContact CB-OG1 3.35Å |
| 2119 | L | 93.6 | Very high | 80.1 | Confident | 36.4 Ų | 36.4 | 47.6 Ų | 47.6 | 19% | 0.191 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.4 | 163.8 | -62.3 | -171.4 | 0 | 0 | 0 | 109 | T2085 R2086 V2087 P2122 F2196 T2197 L2198 D2199 | T2085-L2119 HydrophobicContact CG2-CD2 4.39Å; R2086-L2119 CarbonylContact O-C 3.53Å; R2086-L2119 WeakPolarHBondContact O-CA 3.37Å; V2087-L2119 HydrophobicContact CB-CD2 4.22Å; V2087-L2119 HydrophobicContact CG1-CD2 3.98Å; V2087-L2119 HydrophobicContact CG2-CD2 3.78Å; L2119-P2122 HydrophobicContact CB-CG 4.27Å; L2119-P2122 HydrophobicContact CD1-CB 4.43Å; L2119-P2122 HydrophobicContact CD1-CG 4.3Å; L2119-F2196 HydrophobicContact CB-CE2 4.45Å; L2119-F2196 HydrophobicContact CB-CZ 4.39Å; L2119-F2196 HydrophobicContact CD1-CE2 3.57Å; L2119-F2196 VanDerWaalsContact CD1-CE2 3.4Å; L2119-F2196 HydrophobicContact CD1-CZ 3.59Å; L2119-F2196 HydrophobicContact CD2-CE2 4.34Å; L2119-F2196 HydrophobicContact CG-CD2 4.43Å; L2119-F2196 HydrophobicContact CG-CE2 3.59Å; L2119-F2196 VanDerWaalsContact CG-CE2 3.41Å; L2119-F2196 HydrophobicContact CG-CZ 3.84Å; L2119-T2197 PolarHBondContact N-O 3.07Å; L2119-L2198 HydrophobicContact CB-CD1 4.28Å; L2119-L2198 WeakPolarHBondContact O-CA 3.3Å; L2119-D2199 PolarHBondContact O-N 3.08Å |
| 2120 | R | 91.7 | Very high | 82.2 | Confident | 97.4 Ų | 97.4 | 39.1 Ų | 39.1 | 37% | 0.368 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.3 | 168.1 | -55.3 | -158.5 | 176.7 | 151.1 | 3.6 | 111.1 | T2085 R2086 P2122 D2199 E2200 | T2085-R2120 PolarHBondContact OG1-O 2.96Å; R2086-R2120 HydrophobicContact CB-CB 4.08Å; R2086-R2120 HydrophobicContact CB-CG 4.45Å; R2086-R2120 PolarHBondContact N-O 3.06Å; R2086-R2120 VanDerWaalsContact N-O 3.13Å; R2086-R2120 PolarHBondContact O-N 2.99Å; R2120-P2122 WeakPolarHBondContact O-CD 3.42Å; R2120-D2199 WeakPolarHBondContact CA-O 3.43Å; R2120-D2199 HydrophobicContact CB-CB 4.48Å; R2120-D2199 HydrophobicContact CG-CB 3.9Å; R2120-D2199 IonicContact CZ-OD2 3.72Å; R2120-D2199 IonicContact NE-OD2 3.44Å; R2120-D2199 PolarHBondContact NE-OD2 2.97Å; R2120-D2199 IonicContact NH2-OD2 3.21Å; R2120-D2199 PolarHBondContact NH2-OD2 3.08Å; R2120-E2200 WeakPolarHBondContact CB-OE2 3.25Å; R2120-E2200 WeakPolarHBondContact CD-OE1 3Å |
| 2121 | Q | 89.7 | Confident | 84 | Confident | 76.8 Ų | 76.8 | 39.7 Ų | 39.7 | 36% | 0.359 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 44 | 49.5 | 175.2 | -153 | 179.1 | 27.6 | 0 | 0 | 115.4 | V2123 D2199 E2200 G2201 M2269 L2273 | Q2121-V2123 HydrophobicContact CG-CG2 4.33Å; Q2121-V2123 PolarHBondContact O-N 3.08Å; Q2121-D2199 PolarHBondContact N-O 3.01Å; Q2121-E2200 HydrophobicContact CB-CB 4.18Å; Q2121-G2201 CarbonylContact C-O 3.51Å; Q2121-G2201 VanDerWaalsContact CA-O 3.22Å; Q2121-G2201 WeakPolarHBondContact CA-O 3.41Å; Q2121-M2269 HydrophobicContact CG-CE 3.72Å; Q2121-M2269 PolarHBondContact NE2-SD 3.49Å; Q2121-M2269 VanDerWaalsContact NE2-SD 3.37Å; Q2121-L2273 HydrophobicContact CG-CD2 4.16Å |
| 2122 | P | 92.9 | Very high | 85.3 | Confident | 5.4 Ų | 5.4 | 39.3 Ų | 39.3 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 123.6 | 171.7 | 21.2 | -32.7 | 0 | 0 | 0 | 112.4 | L2083 R2084 L2119 R2120 L2198 G2201 L2202 H2203 | L2083-P2122 HydrophobicContact CD1-CB 4.5Å; R2084-P2122 CarbonylContact O-C 3.53Å; R2084-P2122 VanDerWaalsContact O-CA 3.27Å; R2084-P2122 WeakPolarHBondContact O-CA 3.36Å; L2119-P2122 HydrophobicContact CB-CG 4.27Å; L2119-P2122 HydrophobicContact CD1-CB 4.43Å; L2119-P2122 HydrophobicContact CD1-CG 4.3Å; R2120-P2122 WeakPolarHBondContact O-CD 3.42Å; P2122-L2198 VanDerWaalsContact CD-CD1 3.46Å; P2122-L2198 HydrophobicContact CG-CD1 3.39Å; P2122-L2198 VanDerWaalsContact CG-CD1 3.43Å; P2122-G2201 VanDerWaalsContact CD-O 3.23Å; P2122-G2201 WeakPolarHBondContact CD-O 3.28Å; P2122-L2202 HydrophobicContact CB-CD1 3.84Å; P2122-L2202 HydrophobicContact CG-CB 3.94Å; P2122-L2202 HydrophobicContact CG-CD1 3.79Å; P2122-L2202 HydrophobicContact CG-CG 4.44Å; P2122-L2202 CarbonylContact O-C 3.49Å; P2122-L2202 WeakPolarHBondContact O-CA 3.4Å; P2122-L2202 WeakPolarHBondContact O-CD1 3.17Å; P2122-H2203 PolarHBondContact O-N 3Å |
| 2123 | V | 92.1 | Very high | 86.6 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.7 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | F2082 L2083 R2084 Q2121 H2203 P2265 W2268 M2269 | F2082-V2123 HydrophobicContact CE2-CG1 4.22Å; L2083-V2123 CarbonylContact C-O 3.55Å; L2083-V2123 VanDerWaalsContact CA-O 3.3Å; L2083-V2123 WeakPolarHBondContact CA-O 3.34Å; R2084-V2123 PolarHBondContact N-O 2.95Å; R2084-V2123 PolarHBondContact O-N 3.03Å; Q2121-V2123 HydrophobicContact CG-CG2 4.33Å; Q2121-V2123 PolarHBondContact O-N 3.08Å; V2123-H2203 CarbonylContact C-O 3.54Å; V2123-H2203 WeakPolarHBondContact CA-O 3.38Å; V2123-H2203 HydrophobicContact CG2-CB 4.42Å; V2123-P2265 HydrophobicContact CG1-CB 4.09Å; V2123-W2268 HydrophobicContact CG1-CE3 4.21Å; V2123-W2268 HydrophobicContact CG1-CH2 3.85Å; V2123-W2268 HydrophobicContact CG1-CZ2 4.29Å; V2123-W2268 HydrophobicContact CG1-CZ3 4.08Å; V2123-M2269 HydrophobicContact CB-CE 4.41Å; V2123-M2269 HydrophobicContact CB-SD 4.38Å; V2123-M2269 HydrophobicContact CG1-CE 4.18Å; V2123-M2269 HydrophobicContact CG1-CG 4.42Å; V2123-M2269 HydrophobicContact CG1-SD 4.13Å; V2123-M2269 HydrophobicContact CG2-CE 3.84Å; V2123-M2269 HydrophobicContact CG2-CG 4.49Å; V2123-M2269 HydrophobicContact CG2-SD 3.82Å; V2123-M2269 WeakPolarHBondContact CG2-SD 3.43Å |
| 2124 | L | 93.2 | Very high | 87.6 | Confident | 52.8 Ų | 52.8 | 38.9 Ų | 38.9 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.3 | 176.7 | 176.5 | 61.4 | 0 | 0 | 0 | 110 | F2082 L2083 V2126 H2203 I2204 C2205 | F2082-L2124 CarbonylContact O-C 3.41Å; F2082-L2124 WeakPolarHBondContact O-CA 3.37Å; L2083-L2124 HydrophobicContact CB-CD1 4.12Å; L2083-L2124 HydrophobicContact CD1-CB 4.13Å; L2083-L2124 HydrophobicContact CD1-CD1 4.45Å; L2124-V2126 HydrophobicContact CD1-CG2 3.73Å; L2124-V2126 HydrophobicContact CD2-CG2 4.41Å; L2124-V2126 HydrophobicContact CG-CG2 3.93Å; L2124-H2203 PolarHBondContact N-O 3.03Å; L2124-I2204 HydrophobicContact CB-CB 4.44Å; L2124-I2204 HydrophobicContact CB-CG1 4.2Å; L2124-I2204 HydrophobicContact CB-CG2 4.2Å; L2124-I2204 HydrophobicContact CD2-CD1 4.44Å; L2124-I2204 HydrophobicContact CD2-CG1 4.31Å; L2124-I2204 HydrophobicContact CD2-CG2 3.88Å; L2124-I2204 HydrophobicContact CG-CG2 4.06Å; L2124-I2204 CarbonylContact O-C 3.53Å; L2124-I2204 VanDerWaalsContact O-CA 3.28Å; L2124-I2204 WeakPolarHBondContact O-CA 3.23Å; L2124-C2205 PolarHBondContact O-N 3.16Å |
| 2125 | Y | 91.6 | Very high | 88.1 | Confident | 8.8 Ų | 8.8 | 40.6 Ų | 40.6 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126 | 175.1 | 173.4 | -101.7 | 0 | 0 | 0 | 109.2 | A2081 F2082 Q2127 C2205 P2207 F2261 W2268 | A2081-Y2125 CarbonylContact C-O 3.56Å; A2081-Y2125 WeakPolarHBondContact CA-O 3.28Å; A2081-Y2125 VanDerWaalsContact CB-O 3.29Å; A2081-Y2125 WeakPolarHBondContact CB-O 3.41Å; F2082-Y2125 AromaticContact CD1-CD1 3.74Å; F2082-Y2125 HydrophobicContact CD1-CD1 3.74Å; F2082-Y2125 HydrophobicContact CD1-CG 4.18Å; F2082-Y2125 VanDerWaalsContact CE1-CB 3.47Å; F2082-Y2125 AromaticContact CE1-CD1 3.53Å; F2082-Y2125 HydrophobicContact CE1-CD1 3.53Å; F2082-Y2125 VanDerWaalsContact CE1-CD1 3.42Å; F2082-Y2125 HydrophobicContact CE1-CE1 4.36Å; F2082-Y2125 AromaticContact CE1-CG 3.68Å; F2082-Y2125 HydrophobicContact CE1-CG 3.68Å; F2082-Y2125 VanDerWaalsContact CZ-CB 3.49Å; F2082-Y2125 HydrophobicContact CZ-CD1 4.38Å; F2082-Y2125 HydrophobicContact CZ-CG 4.13Å; F2082-Y2125 PolarHBondContact N-O 3.02Å; F2082-Y2125 PolarHBondContact O-N 2.93Å; Y2125-Q2127 HydrophobicContact CE1-CG 3.67Å; Y2125-Q2127 VanDerWaalsContact OH-CG 3.29Å; Y2125-Q2127 WeakPolarHBondContact OH-CG 3.23Å; Y2125-Q2127 PolarHBondContact OH-NE2 3.25Å; Y2125-C2205 HydrophobicContact CD2-CB 4.14Å; Y2125-P2207 HydrophobicContact CD2-CG 4.23Å; Y2125-P2207 HydrophobicContact CE2-CG 3.57Å; Y2125-P2207 VanDerWaalsContact CE2-CG 3.41Å; Y2125-F2261 HydrophobicContact CD2-CZ 4.49Å; Y2125-F2261 HydrophobicContact CE2-CE1 4.28Å; Y2125-F2261 HydrophobicContact CE2-CE2 4.39Å; Y2125-F2261 AromaticContact CE2-CZ 3.77Å; Y2125-F2261 HydrophobicContact CE2-CZ 3.77Å; Y2125-W2268 AromaticContact CD2-CH2 3.65Å; Y2125-W2268 HydrophobicContact CD2-CH2 4.04Å; Y2125-W2268 AromaticContact CD2-CZ2 3.77Å; Y2125-W2268 HydrophobicContact CD2-CZ2 4.02Å; Y2125-W2268 HydrophobicContact CE2-CZ2 4.44Å; Y2125-W2268 HydrophobicContact CG-CH2 4.12Å; Y2125-W2268 HydrophobicContact CG-CZ2 4.1Å |
| 2126 | V | 91.1 | Very high | 87.8 | Confident | 36.6 Ų | 36.6 | 38.4 Ų | 38.4 | 22% | 0.222 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 103.9 | -177.5 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | A2081 L2124 A2130 V2131 C2205 L2206 P2207 | A2081-V2126 HydrophobicContact CB-CB 4.39Å; A2081-V2126 HydrophobicContact CB-CG1 4.31Å; A2081-V2126 HydrophobicContact CB-CG2 4.32Å; L2124-V2126 HydrophobicContact CD1-CG2 3.73Å; L2124-V2126 HydrophobicContact CD2-CG2 4.41Å; L2124-V2126 HydrophobicContact CG-CG2 3.93Å; V2126-A2130 HydrophobicContact CG1-CB 4.26Å; V2126-V2131 HydrophobicContact CG1-CG2 4.44Å; V2126-C2205 PolarHBondContact N-O 3.08Å; V2126-C2205 VanDerWaalsContact N-O 3.13Å; V2126-L2206 HydrophobicContact CB-CD2 3.91Å; V2126-L2206 HydrophobicContact CG2-CD2 4.44Å; V2126-P2207 WeakPolarHBondContact O-CD 3.37Å |
| 2127 | Q | 87.6 | Confident | 87.5 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | trans | -66 | 148 | 167.1 | -65.7 | 174 | -12.5 | 0 | 0 | 110.2 | S2080 Y2125 R2129 A2130 P2207 F2223 | S2080-Q2127 VanDerWaalsContact O-CB 3.25Å; S2080-Q2127 WeakPolarHBondContact O-CB 3.44Å; S2080-Q2127 VanDerWaalsContact O-CG 3.26Å; S2080-Q2127 WeakPolarHBondContact O-CG 3.33Å; S2080-Q2127 PolarHBondContact O-N 3.17Å; S2080-Q2127 VanDerWaalsContact O-N 3.12Å; S2080-Q2127 PolarHBondContact OG-OE1 3.07Å; Y2125-Q2127 HydrophobicContact CE1-CG 3.67Å; Y2125-Q2127 VanDerWaalsContact OH-CG 3.29Å; Y2125-Q2127 WeakPolarHBondContact OH-CG 3.23Å; Y2125-Q2127 PolarHBondContact OH-NE2 3.25Å; Q2127-R2129 VanDerWaalsContact C-N 3.3Å; Q2127-R2129 PolarHBondContact O-N 2.92Å; Q2127-A2130 HydrophobicContact CB-CB 4.48Å; Q2127-A2130 WeakPolarHBondContact O-CA 3.11Å; Q2127-A2130 WeakPolarHBondContact O-CB 3.34Å; Q2127-A2130 PolarHBondContact O-N 2.93Å; Q2127-P2207 HydrophobicContact CG-CG 4.22Å; Q2127-F2223 HydrophobicContact CB-CZ 4.41Å; Q2127-F2223 HydrophobicContact CG-CE2 4.36Å; Q2127-F2223 HydrophobicContact CG-CZ 4Å | ||
| 2128 | P | 82.5 | Confident | 87.1 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -41.3 | 177.6 | -24.4 | 33.1 | 0 | 0 | 0 | 112.9 | A2130 V2131 P2207 Y2209 T2339 L2343 | P2128-A2130 PolarHBondContact O-N 3.04Å; P2128-A2130 VanDerWaalsContact O-N 3.1Å; P2128-V2131 WeakPolarHBondContact O-CB 3.24Å; P2128-V2131 WeakPolarHBondContact O-CG2 3.43Å; P2128-V2131 PolarHBondContact O-N 3.17Å; P2128-V2131 VanDerWaalsContact O-N 3.11Å; P2128-P2207 WeakPolarHBondContact CD-O 3.24Å; P2128-P2207 WeakPolarHBondContact CG-O 3.4Å; P2128-Y2209 HydrophobicContact CB-CD2 4.4Å; P2128-Y2209 HydrophobicContact CB-CE2 3.55Å; P2128-Y2209 HydrophobicContact CG-CD2 4.25Å; P2128-Y2209 HydrophobicContact CG-CE1 4.32Å; P2128-Y2209 HydrophobicContact CG-CE2 3.71Å; P2128-T2339 HydrophobicContact CB-CG2 4.29Å; P2128-T2339 HydrophobicContact CG-CG2 3.59Å; P2128-T2339 VanDerWaalsContact CG-CG2 3.46Å; P2128-L2343 HydrophobicContact CB-CD1 4.22Å; P2128-L2343 HydrophobicContact CB-CD2 3.91Å; P2128-L2343 HydrophobicContact CB-CG 4.17Å; P2128-L2343 WeakPolarHBondContact O-CD2 3.38Å |
| 2129 | R | 79.2 | Confident | 86.4 | Confident | 98.4 Ų | 98.4 | 43.9 Ų | 43.9 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.6 | -20.4 | 173.4 | -81.9 | 177.1 | -166.5 | 149.2 | 8 | 114.5 | Q2127 V2131 D2132 K2133 Y2209 A2220 D2221 | Q2127-R2129 VanDerWaalsContact C-N 3.3Å; Q2127-R2129 PolarHBondContact O-N 2.92Å; R2129-V2131 VanDerWaalsContact C-N 3.28Å; R2129-V2131 PolarHBondContact O-N 3.03Å; R2129-D2132 WeakPolarHBondContact O-CB 3.5Å; R2129-D2132 PolarHBondContact O-N 3.35Å; R2129-K2133 PolarHBondContact O-N 3.09Å; R2129-Y2209 WeakPolarHBondContact CG-OH 3.35Å; R2129-Y2209 PolarHBondContact N-OH 3.15Å; R2129-A2220 PolarHBondContact NH1-O 2.93Å; R2129-A2220 PolarHBondContact NH2-O 2.93Å; R2129-D2221 IonicContact CZ-OD1 3.11Å; R2129-D2221 IonicContact NH1-OD1 3.23Å; R2129-D2221 PolarHBondContact NH1-OD1 3.21Å; R2129-D2221 VanDerWaalsContact NH1-OD1 3.07Å; R2129-D2221 IonicContact NH2-OD1 3.71Å |
| 2130 | A | 87.3 | Confident | 85.8 | Confident | 1.8 Ų | 1.8 | 43.3 Ų | 43.3 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.3 | -26.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2050 A2081 V2126 Q2127 P2128 D2132 K2133 A2134 | L2050-A2130 HydrophobicContact CD2-CB 4.27Å; L2050-A2130 VanDerWaalsContact CD2-O 3.26Å; L2050-A2130 WeakPolarHBondContact CD2-O 3.32Å; A2081-A2130 HydrophobicContact CB-CB 3.59Å; V2126-A2130 HydrophobicContact CG1-CB 4.26Å; Q2127-A2130 HydrophobicContact CB-CB 4.48Å; Q2127-A2130 WeakPolarHBondContact O-CA 3.11Å; Q2127-A2130 WeakPolarHBondContact O-CB 3.34Å; Q2127-A2130 PolarHBondContact O-N 2.93Å; P2128-A2130 PolarHBondContact O-N 3.04Å; P2128-A2130 VanDerWaalsContact O-N 3.1Å; A2130-D2132 VanDerWaalsContact C-N 3.28Å; A2130-D2132 PolarHBondContact O-N 3.06Å; A2130-K2133 PolarHBondContact O-N 2.96Å; A2130-A2134 VanDerWaalsContact O-CB 3.29Å; A2130-A2134 WeakPolarHBondContact O-CB 3.4Å; A2130-A2134 PolarHBondContact O-N 3Å |
| 2131 | V | 84 | Confident | 85.3 | Confident | 58.8 Ų | 58.8 | 40.8 Ų | 40.8 | 36% | 0.356 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 174 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | V2126 P2128 R2129 K2133 A2134 I2135 L2343 | V2126-V2131 HydrophobicContact CG1-CG2 4.44Å; P2128-V2131 WeakPolarHBondContact O-CB 3.24Å; P2128-V2131 WeakPolarHBondContact O-CG2 3.43Å; P2128-V2131 PolarHBondContact O-N 3.17Å; P2128-V2131 VanDerWaalsContact O-N 3.11Å; R2129-V2131 VanDerWaalsContact C-N 3.28Å; R2129-V2131 PolarHBondContact O-N 3.03Å; V2131-K2133 PolarHBondContact O-N 3.08Å; V2131-A2134 WeakPolarHBondContact O-CB 3.28Å; V2131-A2134 PolarHBondContact O-N 2.81Å; V2131-A2134 VanDerWaalsContact O-N 3.17Å; V2131-I2135 HydrophobicContact CG1-CD1 3.97Å; V2131-I2135 VanDerWaalsContact O-CG1 3.31Å; V2131-I2135 WeakPolarHBondContact O-CG1 3.3Å; V2131-I2135 PolarHBondContact O-N 3.24Å; V2131-L2343 HydrophobicContact CB-CD2 4.17Å; V2131-L2343 HydrophobicContact CG2-CD1 4.29Å; V2131-L2343 HydrophobicContact CG2-CD2 4.22Å |
| 2132 | D | 78.2 | Confident | 84.9 | Confident | 42.2 Ų | 42.2 | 40.1 Ų | 40.1 | 23% | 0.226 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 178.5 | -55 | -39.9 | 0 | 0 | 0 | 111.4 | R2129 A2130 A2134 I2135 L2136 Y2430 R2434 | R2129-D2132 WeakPolarHBondContact O-CB 3.5Å; R2129-D2132 PolarHBondContact O-N 3.35Å; A2130-D2132 VanDerWaalsContact C-N 3.28Å; A2130-D2132 PolarHBondContact O-N 3.06Å; D2132-A2134 VanDerWaalsContact C-N 3.3Å; D2132-A2134 PolarHBondContact O-N 3.35Å; D2132-I2135 PolarHBondContact O-N 3.04Å; D2132-L2136 WeakPolarHBondContact O-CB 3.26Å; D2132-L2136 WeakPolarHBondContact O-CG 3.28Å; D2132-L2136 PolarHBondContact O-N 3.02Å; D2132-L2136 VanDerWaalsContact O-N 3.09Å; D2132-Y2430 HydrophobicContact CB-CD2 4.47Å; D2132-Y2430 HydrophobicContact CB-CE2 3.97Å; D2132-Y2430 VanDerWaalsContact OD1-CE2 3.27Å; D2132-Y2430 WeakPolarHBondContact OD1-CE2 3.23Å; D2132-Y2430 VanDerWaalsContact OD1-CZ 3.24Å; D2132-Y2430 PolarHBondContact OD1-OH 3.09Å; D2132-R2434 IonicContact OD1-NH1 2.74Å; D2132-R2434 PolarHBondContact OD1-NH1 2.86Å; D2132-R2434 IonicContact OD2-NH1 3.25Å |
| 2133 | K | 85.5 | Confident | 84 | Confident | 27.8 Ų | 27.8 | 41.8 Ų | 41.8 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -37.9 | 174 | -69.1 | -175.5 | 179.1 | -179.9 | 0 | 112 | I2009 L2050 S2080 R2129 A2130 V2131 L2137 | I2009-K2133 HydrophobicContact CD1-CG 4.47Å; I2009-K2133 HydrophobicContact CG2-CB 4.02Å; I2009-K2133 HydrophobicContact CG2-CG 4.4Å; L2050-K2133 HydrophobicContact CD1-CB 4.25Å; L2050-K2133 HydrophobicContact CD2-CB 4.25Å; L2050-K2133 HydrophobicContact CG-CB 4.32Å; S2080-K2133 PolarHBondContact OG-NZ 3.05Å; R2129-K2133 PolarHBondContact O-N 3.09Å; A2130-K2133 PolarHBondContact O-N 2.96Å; V2131-K2133 PolarHBondContact O-N 3.08Å; K2133-L2137 VanDerWaalsContact O-CB 3.32Å; K2133-L2137 WeakPolarHBondContact O-CB 3.27Å; K2133-L2137 PolarHBondContact O-N 3.07Å; K2133-L2137 VanDerWaalsContact O-N 3.07Å |
| 2134 | A | 86.9 | Confident | 83 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2050 A2130 V2131 D2132 L2137 W2138 | L2050-A2134 HydrophobicContact CD2-CB 3.65Å; A2130-A2134 VanDerWaalsContact O-CB 3.29Å; A2130-A2134 WeakPolarHBondContact O-CB 3.4Å; A2130-A2134 PolarHBondContact O-N 3Å; V2131-A2134 WeakPolarHBondContact O-CB 3.28Å; V2131-A2134 PolarHBondContact O-N 2.81Å; V2131-A2134 VanDerWaalsContact O-N 3.17Å; D2132-A2134 VanDerWaalsContact C-N 3.3Å; D2132-A2134 PolarHBondContact O-N 3.35Å; A2134-L2137 PolarHBondContact O-N 2.84Å; A2134-W2138 VanDerWaalsContact O-CB 3.31Å; A2134-W2138 WeakPolarHBondContact O-CB 3.33Å; A2134-W2138 PolarHBondContact O-N 3.15Å |
| 2135 | I | 83.1 | Confident | 82.1 | Confident | 58.6 Ų | 58.6 | 46.2 Ų | 46.2 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -46.3 | 176.5 | -69.9 | 165.5 | 0 | 0 | 0 | 110.2 | V2131 D2132 L2137 W2138 L2139 Y2430 F2437 | V2131-I2135 HydrophobicContact CG1-CD1 3.97Å; V2131-I2135 VanDerWaalsContact O-CG1 3.31Å; V2131-I2135 WeakPolarHBondContact O-CG1 3.3Å; V2131-I2135 PolarHBondContact O-N 3.24Å; D2132-I2135 PolarHBondContact O-N 3.04Å; I2135-L2137 VanDerWaalsContact C-N 3.34Å; I2135-L2137 PolarHBondContact O-N 2.92Å; I2135-W2138 PolarHBondContact O-N 3.15Å; I2135-L2139 HydrophobicContact CG2-CD1 3.77Å; I2135-L2139 HydrophobicContact CG2-CG 4.36Å; I2135-L2139 WeakPolarHBondContact O-CB 3.35Å; I2135-L2139 WeakPolarHBondContact O-CD1 3.31Å; I2135-L2139 VanDerWaalsContact O-CG 3.27Å; I2135-L2139 WeakPolarHBondContact O-CG 3.33Å; I2135-L2139 PolarHBondContact O-N 3.17Å; I2135-Y2430 HydrophobicContact CG2-CD2 4.37Å; I2135-F2437 HydrophobicContact CD1-CD1 4.12Å; I2135-F2437 HydrophobicContact CD1-CE1 3.75Å; I2135-F2437 HydrophobicContact CD1-CZ 4.29Å; I2135-F2437 HydrophobicContact CG1-CE1 4.37Å; I2135-F2437 HydrophobicContact CG1-CZ 4.44Å |
| 2136 | L | 79.1 | Confident | 81.2 | Confident | 40.2 Ų | 40.2 | 50.2 Ų | 50.2 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 177.8 | -73.7 | 174 | 0 | 0 | 0 | 112.7 | I2009 D2132 L2139 N2140 E2426 Y2430 | I2009-L2136 HydrophobicContact CD1-CB 3.75Å; I2009-L2136 HydrophobicContact CD1-CD1 3.68Å; I2009-L2136 HydrophobicContact CD1-CG 4.38Å; D2132-L2136 WeakPolarHBondContact O-CB 3.26Å; D2132-L2136 WeakPolarHBondContact O-CG 3.28Å; D2132-L2136 PolarHBondContact O-N 3.02Å; D2132-L2136 VanDerWaalsContact O-N 3.09Å; L2136-L2139 HydrophobicContact CD2-CD1 4.48Å; L2136-L2139 PolarHBondContact O-N 3.05Å; L2136-N2140 WeakPolarHBondContact O-CB 3.26Å; L2136-N2140 PolarHBondContact O-N 3.03Å; L2136-N2140 VanDerWaalsContact O-N 3.12Å; L2136-N2140 PolarHBondContact O-ND2 2.84Å; L2136-E2426 HydrophobicContact CD2-CB 3.83Å; L2136-E2426 HydrophobicContact CD2-CG 4.21Å; L2136-Y2430 HydrophobicContact CD1-CD2 4.04Å; L2136-Y2430 HydrophobicContact CD1-CE2 4.46Å; L2136-Y2430 HydrophobicContact CD2-CD2 3.98Å; L2136-Y2430 HydrophobicContact CG-CD2 4.04Å |
| 2137 | L | 84 | Confident | 80.2 | Confident | 26.4 Ų | 26.4 | 53 Ų | 53 | 14% | 0.138 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | 175.5 | -175.4 | 130.5 | 0 | 0 | 0 | 111.6 | T2005 I2009 V2011 L2050 K2133 A2134 I2135 L2139 N2140 Y2141 | T2005-L2137 HydrophobicContact CG2-CB 4.35Å; T2005-L2137 HydrophobicContact CG2-CD1 4.22Å; T2005-L2137 HydrophobicContact CG2-CG 4.24Å; I2009-L2137 HydrophobicContact CG2-CB 4.31Å; I2009-L2137 HydrophobicContact CG2-CD1 4.18Å; V2011-L2137 HydrophobicContact CB-CD1 4.22Å; V2011-L2137 HydrophobicContact CB-CD2 4.29Å; V2011-L2137 HydrophobicContact CG2-CD1 3.77Å; V2011-L2137 VanDerWaalsContact CG2-CD1 3.46Å; V2011-L2137 HydrophobicContact CG2-CD2 3.8Å; V2011-L2137 HydrophobicContact CG2-CG 4.41Å; L2050-L2137 HydrophobicContact CD1-CD1 4.34Å; K2133-L2137 VanDerWaalsContact O-CB 3.32Å; K2133-L2137 WeakPolarHBondContact O-CB 3.27Å; K2133-L2137 PolarHBondContact O-N 3.07Å; K2133-L2137 VanDerWaalsContact O-N 3.07Å; A2134-L2137 PolarHBondContact O-N 2.84Å; I2135-L2137 VanDerWaalsContact C-N 3.34Å; I2135-L2137 PolarHBondContact O-N 2.92Å; L2137-L2139 VanDerWaalsContact C-N 3.33Å; L2137-L2139 PolarHBondContact O-N 2.87Å; L2137-N2140 PolarHBondContact O-N 2.84Å; L2137-Y2141 HydrophobicContact CD1-CD2 4.48Å; L2137-Y2141 HydrophobicContact CD1-CE2 4.34Å; L2137-Y2141 HydrophobicContact CD2-CD2 4.3Å; L2137-Y2141 HydrophobicContact CG-CD2 4.09Å; L2137-Y2141 HydrophobicContact CG-CE2 4.29Å; L2137-Y2141 WeakPolarHBondContact O-CD2 3.35Å; L2137-Y2141 PolarHBondContact O-N 3.03Å; L2137-Y2141 VanDerWaalsContact O-N 3.07Å |
| 2138 | W | 83.4 | Confident | 79.1 | Confident | 145.6 Ų | 145.6 | 54.3 Ų | 54.3 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 175.8 | 176.5 | 74.6 | 0 | 0 | 0 | 111.8 | A2134 I2135 N2140 K2142 F2437 | A2134-W2138 VanDerWaalsContact O-CB 3.31Å; A2134-W2138 WeakPolarHBondContact O-CB 3.33Å; A2134-W2138 PolarHBondContact O-N 3.15Å; I2135-W2138 PolarHBondContact O-N 3.15Å; W2138-N2140 PolarHBondContact O-N 3.31Å; W2138-K2142 HydrophobicContact CD2-CD 4.41Å; W2138-K2142 HydrophobicContact CH2-CD 3.7Å; W2138-K2142 HydrophobicContact CZ2-CD 3.43Å; W2138-K2142 VanDerWaalsContact CZ2-CD 3.42Å; W2138-K2142 HydrophobicContact CZ3-CD 4.23Å; W2138-K2142 WeakPolarHBondContact O-CA 3.23Å; W2138-K2142 WeakPolarHBondContact O-CB 3.33Å; W2138-K2142 PolarHBondContact O-N 3.17Å; W2138-F2437 HydrophobicContact CZ3-CE2 4.48Å |
| 2139 | L | 78.6 | Confident | 78.4 | Confident | 22.8 Ų | 22.8 | 56.7 Ų | 56.7 | 12% | 0.119 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 177.7 | -71.7 | 167 | 0 | 0 | 0 | 112 | I2135 L2136 L2137 Y2141 K2142 N2143 M2429 L2433 | I2135-L2139 HydrophobicContact CG2-CD1 3.77Å; I2135-L2139 HydrophobicContact CG2-CG 4.36Å; I2135-L2139 WeakPolarHBondContact O-CB 3.35Å; I2135-L2139 WeakPolarHBondContact O-CD1 3.31Å; I2135-L2139 VanDerWaalsContact O-CG 3.27Å; I2135-L2139 WeakPolarHBondContact O-CG 3.33Å; I2135-L2139 PolarHBondContact O-N 3.17Å; L2136-L2139 HydrophobicContact CD2-CD1 4.48Å; L2136-L2139 PolarHBondContact O-N 3.05Å; L2137-L2139 VanDerWaalsContact C-N 3.33Å; L2137-L2139 PolarHBondContact O-N 2.87Å; L2139-Y2141 VanDerWaalsContact C-N 3.31Å; L2139-Y2141 PolarHBondContact O-N 3.02Å; L2139-K2142 PolarHBondContact O-N 3.1Å; L2139-N2143 VanDerWaalsContact O-CB 3.3Å; L2139-N2143 WeakPolarHBondContact O-CB 3.38Å; L2139-N2143 PolarHBondContact O-N 2.94Å; L2139-N2143 PolarHBondContact O-ND2 3.14Å; L2139-N2143 PolarHBondContact O-OD1 2.94Å; L2139-N2143 VanDerWaalsContact O-OD1 3.09Å; L2139-M2429 HydrophobicContact CB-CE 4.14Å; L2139-M2429 HydrophobicContact CD1-CE 4.14Å; L2139-M2429 HydrophobicContact CD1-SD 3.88Å; L2139-M2429 HydrophobicContact CD2-CE 4.21Å; L2139-M2429 HydrophobicContact CD2-SD 4.1Å; L2139-M2429 HydrophobicContact CG-CE 4.26Å; L2139-M2429 HydrophobicContact CG-SD 4.37Å; L2139-L2433 HydrophobicContact CD1-CB 4.12Å; L2139-L2433 HydrophobicContact CD1-CD1 3.65Å; L2139-L2433 VanDerWaalsContact CD1-CD1 3.41Å; L2139-L2433 HydrophobicContact CD2-CD1 3.42Å; L2139-L2433 VanDerWaalsContact CD2-CD1 3.42Å; L2139-L2433 HydrophobicContact CG-CD1 4.01Å |
| 2140 | N | 79.5 | Confident | 78.1 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 178.6 | -95.6 | -56.6 | 0 | 0 | 0 | 111.6 | T2005 L2136 L2137 W2138 K2142 N2143 T2144 M2395 E2426 | T2005-N2140 HydrophobicContact CG2-CB 4.02Å; L2136-N2140 WeakPolarHBondContact O-CB 3.26Å; L2136-N2140 PolarHBondContact O-N 3.03Å; L2136-N2140 VanDerWaalsContact O-N 3.12Å; L2136-N2140 PolarHBondContact O-ND2 2.84Å; L2137-N2140 PolarHBondContact O-N 2.84Å; W2138-N2140 PolarHBondContact O-N 3.31Å; N2140-K2142 PolarHBondContact O-N 3.39Å; N2140-N2143 PolarHBondContact O-N 3.05Å; N2140-T2144 VanDerWaalsContact O-CB 3.26Å; N2140-T2144 WeakPolarHBondContact O-CB 3.27Å; N2140-T2144 PolarHBondContact O-N 2.99Å; N2140-T2144 PolarHBondContact O-OG1 3.11Å; N2140-T2144 VanDerWaalsContact O-OG1 3.05Å; N2140-M2395 WeakPolarHBondContact OD1-CE 3.43Å; N2140-E2426 PolarHBondContact ND2-OE1 3.01Å |
| 2141 | Y | 81.2 | Confident | 77 | Confident | 45 Ų | 45 | 58 Ų | 58 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 179.6 | -84.1 | -99.1 | 0 | 0 | 0 | 112.8 | L1945 T1947 L1950 A2003 T2004 T2005 L2137 L2139 T2144 Y2145 | L1945-Y2141 PolarHBondContact O-OH 2.96Å; L1945-Y2141 VanDerWaalsContact O-OH 3.05Å; T1947-Y2141 HydrophobicContact CG2-CD2 4.4Å; T1947-Y2141 HydrophobicContact CG2-CE2 4.24Å; L1950-Y2141 HydrophobicContact CD2-CD1 3.81Å; L1950-Y2141 HydrophobicContact CD2-CE1 3.81Å; A2003-Y2141 WeakPolarHBondContact CA-OH 3.23Å; A2003-Y2141 HydrophobicContact CB-CE1 4.41Å; A2003-Y2141 HydrophobicContact CB-CE2 4.4Å; A2003-Y2141 WeakPolarHBondContact CB-OH 3.34Å; T2004-Y2141 PolarHBondContact N-OH 3.11Å; T2004-Y2141 VanDerWaalsContact N-OH 3.09Å; T2004-Y2141 WeakPolarHBondContact O-CE2 3.4Å; T2004-Y2141 PolarHBondContact O-OH 2.93Å; T2005-Y2141 HydrophobicContact CG2-CD2 4.44Å; T2005-Y2141 HydrophobicContact CG2-CE2 4.29Å; L2137-Y2141 HydrophobicContact CD1-CD2 4.48Å; L2137-Y2141 HydrophobicContact CD1-CE2 4.34Å; L2137-Y2141 HydrophobicContact CD2-CD2 4.3Å; L2137-Y2141 HydrophobicContact CG-CD2 4.09Å; L2137-Y2141 HydrophobicContact CG-CE2 4.29Å; L2137-Y2141 WeakPolarHBondContact O-CD2 3.35Å; L2137-Y2141 PolarHBondContact O-N 3.03Å; L2137-Y2141 VanDerWaalsContact O-N 3.07Å; L2139-Y2141 VanDerWaalsContact C-N 3.31Å; L2139-Y2141 PolarHBondContact O-N 3.02Å; Y2141-T2144 WeakPolarHBondContact O-CB 3.18Å; Y2141-T2144 PolarHBondContact O-N 3.02Å; Y2141-Y2145 VanDerWaalsContact O-CB 3.27Å; Y2141-Y2145 WeakPolarHBondContact O-CB 3.35Å; Y2141-Y2145 PolarHBondContact O-N 3.04Å |
| 2142 | K | 81.2 | Confident | 76 | Confident | 62.8 Ų | 62.8 | 57 Ų | 57 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 176.4 | 176.5 | 177.9 | 170.9 | -105.2 | 0 | 111.7 | W2138 L2139 N2140 T2144 Y2145 E2146 | W2138-K2142 HydrophobicContact CD2-CD 4.41Å; W2138-K2142 HydrophobicContact CH2-CD 3.7Å; W2138-K2142 HydrophobicContact CZ2-CD 3.43Å; W2138-K2142 VanDerWaalsContact CZ2-CD 3.42Å; W2138-K2142 HydrophobicContact CZ3-CD 4.23Å; W2138-K2142 WeakPolarHBondContact O-CA 3.23Å; W2138-K2142 WeakPolarHBondContact O-CB 3.33Å; W2138-K2142 PolarHBondContact O-N 3.17Å; L2139-K2142 PolarHBondContact O-N 3.1Å; N2140-K2142 PolarHBondContact O-N 3.39Å; K2142-T2144 VanDerWaalsContact C-N 3.31Å; K2142-T2144 PolarHBondContact O-N 3.14Å; K2142-Y2145 CarbonylContact O-C 3.55Å; K2142-Y2145 PolarHBondContact O-N 2.82Å; K2142-Y2145 VanDerWaalsContact O-N 3.14Å; K2142-E2146 VanDerWaalsContact CE-CD 3.48Å; K2142-E2146 WeakPolarHBondContact CE-OE1 3.4Å; K2142-E2146 WeakPolarHBondContact CE-OE2 3.49Å; K2142-E2146 HydrophobicContact CG-CG 4.33Å; K2142-E2146 IonicContact NZ-OE1 3.37Å; K2142-E2146 PolarHBondContact NZ-OE1 2.94Å; K2142-E2146 IonicContact NZ-OE2 3.5Å; K2142-E2146 PolarHBondContact NZ-OE2 3.14Å; K2142-E2146 WeakPolarHBondContact O-CB 3.33Å; K2142-E2146 WeakPolarHBondContact O-CG 3.3Å; K2142-E2146 PolarHBondContact O-N 2.9Å |
| 2143 | N | 75.3 | Confident | 75.3 | Confident | 40.6 Ų | 40.6 | 61.6 Ų | 61.6 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -38 | -178.6 | -66 | 1.2 | 0 | 0 | 0 | 110.6 | L2139 N2140 Y2145 E2146 F2147 E2392 | L2139-N2143 VanDerWaalsContact O-CB 3.3Å; L2139-N2143 WeakPolarHBondContact O-CB 3.38Å; L2139-N2143 PolarHBondContact O-N 2.94Å; L2139-N2143 PolarHBondContact O-ND2 3.14Å; L2139-N2143 PolarHBondContact O-OD1 2.94Å; L2139-N2143 VanDerWaalsContact O-OD1 3.09Å; N2140-N2143 PolarHBondContact O-N 3.05Å; N2143-Y2145 VanDerWaalsContact C-N 3.35Å; N2143-Y2145 PolarHBondContact O-N 2.89Å; N2143-E2146 PolarHBondContact O-N 3.17Å; N2143-F2147 VanDerWaalsContact O-CB 3.29Å; N2143-F2147 WeakPolarHBondContact O-CB 3.33Å; N2143-F2147 PolarHBondContact O-N 2.91Å; N2143-E2392 VanDerWaalsContact CG-OE1 3.26Å; N2143-E2392 PolarHBondContact ND2-OE1 3.15Å |
| 2144 | T | 70.6 | Confident | 74.2 | Confident | 25.2 Ų | 25.2 | 63.8 Ų | 63.8 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 170.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | L1950 N1951 N2140 Y2141 K2142 E2146 F2147 W2148 | L1950-T2144 HydrophobicContact CD2-CG2 4.42Å; N1951-T2144 VanDerWaalsContact OD1-CG2 3.23Å; N1951-T2144 WeakPolarHBondContact OD1-CG2 3.33Å; N2140-T2144 VanDerWaalsContact O-CB 3.26Å; N2140-T2144 WeakPolarHBondContact O-CB 3.27Å; N2140-T2144 PolarHBondContact O-N 2.99Å; N2140-T2144 PolarHBondContact O-OG1 3.11Å; N2140-T2144 VanDerWaalsContact O-OG1 3.05Å; Y2141-T2144 WeakPolarHBondContact O-CB 3.18Å; Y2141-T2144 PolarHBondContact O-N 3.02Å; K2142-T2144 VanDerWaalsContact C-N 3.31Å; K2142-T2144 PolarHBondContact O-N 3.14Å; T2144-E2146 PolarHBondContact O-N 2.87Å; T2144-F2147 PolarHBondContact O-N 2.89Å; T2144-W2148 WeakPolarHBondContact O-CB 3.37Å; T2144-W2148 VanDerWaalsContact O-CD1 3.24Å; T2144-W2148 PolarHBondContact O-N 2.97Å; T2144-W2148 VanDerWaalsContact O-N 3.08Å |
| 2145 | Y | 74.5 | Confident | 72.6 | Confident | 128.6 Ų | 128.6 | 69 Ų | 69 | 50% | 0.504 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.5 | 178.7 | -103.4 | 0 | 0 | 0 | 113.2 | L1954 Y2141 K2142 N2143 W2148 N2149 | L1954-Y2145 HydrophobicContact CD1-CD2 3.89Å; L1954-Y2145 HydrophobicContact CD2-CD2 4.21Å; L1954-Y2145 HydrophobicContact CD2-CE2 4.09Å; Y2141-Y2145 VanDerWaalsContact O-CB 3.27Å; Y2141-Y2145 WeakPolarHBondContact O-CB 3.35Å; Y2141-Y2145 PolarHBondContact O-N 3.04Å; K2142-Y2145 CarbonylContact O-C 3.55Å; K2142-Y2145 PolarHBondContact O-N 2.82Å; K2142-Y2145 VanDerWaalsContact O-N 3.14Å; N2143-Y2145 VanDerWaalsContact C-N 3.35Å; N2143-Y2145 PolarHBondContact O-N 2.89Å; Y2145-W2148 AromaticContact CD2-CE3 3.94Å; Y2145-W2148 HydrophobicContact CD2-CE3 3.94Å; Y2145-W2148 HydrophobicContact CD2-CZ3 4.33Å; Y2145-W2148 AromaticContact CE2-CE3 3.75Å; Y2145-W2148 HydrophobicContact CE2-CE3 3.75Å; Y2145-W2148 AromaticContact CE2-CZ3 3.69Å; Y2145-W2148 HydrophobicContact CE2-CZ3 3.69Å; Y2145-W2148 PolarHBondContact O-N 3.19Å; Y2145-N2149 VanDerWaalsContact CE1-ND2 3.29Å; Y2145-N2149 WeakPolarHBondContact CE1-ND2 3.37Å; Y2145-N2149 WeakPolarHBondContact CE2-ND2 3.37Å; Y2145-N2149 WeakPolarHBondContact O-CB 3.19Å; Y2145-N2149 PolarHBondContact O-N 3.03Å; Y2145-N2149 PolarHBondContact O-ND2 3.06Å; Y2145-N2149 PolarHBondContact OH-ND2 3.14Å; Y2145-N2149 VanDerWaalsContact OH-ND2 3.15Å |
| 2146 | E | 72.7 | Confident | 71.3 | Confident | 91.2 Ų | 91.2 | 71.5 Ų | 71.5 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 176.4 | -76.1 | -178 | 164.7 | 0 | 0 | 112 | K2142 N2143 T2144 W2148 N2149 E2150 | K2142-E2146 VanDerWaalsContact CE-CD 3.48Å; K2142-E2146 WeakPolarHBondContact CE-OE1 3.4Å; K2142-E2146 WeakPolarHBondContact CE-OE2 3.49Å; K2142-E2146 HydrophobicContact CG-CG 4.33Å; K2142-E2146 IonicContact NZ-OE1 3.37Å; K2142-E2146 PolarHBondContact NZ-OE1 2.94Å; K2142-E2146 IonicContact NZ-OE2 3.5Å; K2142-E2146 PolarHBondContact NZ-OE2 3.14Å; K2142-E2146 WeakPolarHBondContact O-CB 3.33Å; K2142-E2146 WeakPolarHBondContact O-CG 3.3Å; K2142-E2146 PolarHBondContact O-N 2.9Å; N2143-E2146 PolarHBondContact O-N 3.17Å; T2144-E2146 PolarHBondContact O-N 2.87Å; E2146-W2148 VanDerWaalsContact C-N 3.32Å; E2146-W2148 PolarHBondContact O-N 2.83Å; E2146-N2149 PolarHBondContact O-N 3.06Å; E2146-E2150 VanDerWaalsContact O-CB 3.29Å; E2146-E2150 WeakPolarHBondContact O-CB 3.32Å; E2146-E2150 PolarHBondContact O-N 3.08Å |
| 2147 | F | 70.3 | Confident | 70.1 | Confident | 96.6 Ų | 96.6 | 73.9 Ų | 73.9 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 173.2 | 172.6 | -94.6 | 0 | 0 | 0 | 111.4 | N2143 T2144 E2150 Q2151 I2396 | N2143-F2147 VanDerWaalsContact O-CB 3.29Å; N2143-F2147 WeakPolarHBondContact O-CB 3.33Å; N2143-F2147 PolarHBondContact O-N 2.91Å; T2144-F2147 PolarHBondContact O-N 2.89Å; F2147-E2150 WeakPolarHBondContact O-CB 3.39Å; F2147-E2150 PolarHBondContact O-N 2.94Å; F2147-E2150 VanDerWaalsContact O-N 3.16Å; F2147-Q2151 HydrophobicContact CD1-CG 4.34Å; F2147-Q2151 HydrophobicContact CE1-CG 3.88Å; F2147-Q2151 HydrophobicContact CE2-CG 4.29Å; F2147-Q2151 HydrophobicContact CZ-CG 3.9Å; F2147-Q2151 VanDerWaalsContact CZ-NE2 3.34Å; F2147-Q2151 WeakPolarHBondContact O-CG 3.25Å; F2147-Q2151 PolarHBondContact O-N 2.99Å; F2147-I2396 HydrophobicContact CD2-CD1 4.43Å |
| 2148 | W | 63.5 | Low | 68.4 | Low | 54.2 Ų | 54.2 | 79.8 Ų | 79.8 | 21% | 0.205 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 177.8 | -92.5 | 103.3 | 0 | 0 | 0 | 112.1 | N1951 L1954 F1955 E1958 T2144 Y2145 E2146 E2150 Q2151 H2152 | N1951-W2148 HydrophobicContact CB-CZ2 4.29Å; N1951-W2148 VanDerWaalsContact CG-CD1 3.45Å; N1951-W2148 PolarHBondContact ND2-NE1 3.05Å; N1951-W2148 VanDerWaalsContact ND2-NE1 3.12Å; N1951-W2148 PolarHBondContact OD1-NE1 3.09Å; N1951-W2148 VanDerWaalsContact OD1-NE1 3.07Å; L1954-W2148 HydrophobicContact CB-CD2 4.39Å; L1954-W2148 HydrophobicContact CB-CH2 4.42Å; L1954-W2148 HydrophobicContact CB-CZ2 3.96Å; L1954-W2148 HydrophobicContact CD1-CB 4.45Å; L1954-W2148 HydrophobicContact CD1-CD2 4.4Å; L1954-W2148 HydrophobicContact CD1-CG 4.18Å; F1955-W2148 HydrophobicContact CB-CH2 4.01Å; F1955-W2148 HydrophobicContact CB-CZ3 4.36Å; F1955-W2148 AromaticContact CD2-CH2 3.88Å; F1955-W2148 HydrophobicContact CD2-CH2 3.88Å; F1955-W2148 AromaticContact CD2-CZ3 3.91Å; F1955-W2148 HydrophobicContact CD2-CZ3 3.91Å; F1955-W2148 HydrophobicContact CG-CH2 4.36Å; E1958-W2148 HydrophobicContact CB-CZ3 4.47Å; E1958-W2148 VanDerWaalsContact OE2-CZ3 3.3Å; E1958-W2148 WeakPolarHBondContact OE2-CZ3 3.49Å; T2144-W2148 WeakPolarHBondContact O-CB 3.37Å; T2144-W2148 VanDerWaalsContact O-CD1 3.24Å; T2144-W2148 PolarHBondContact O-N 2.97Å; T2144-W2148 VanDerWaalsContact O-N 3.08Å; Y2145-W2148 AromaticContact CD2-CE3 3.94Å; Y2145-W2148 HydrophobicContact CD2-CE3 3.94Å; Y2145-W2148 HydrophobicContact CD2-CZ3 4.33Å; Y2145-W2148 AromaticContact CE2-CE3 3.75Å; Y2145-W2148 HydrophobicContact CE2-CE3 3.75Å; Y2145-W2148 AromaticContact CE2-CZ3 3.69Å; Y2145-W2148 HydrophobicContact CE2-CZ3 3.69Å; Y2145-W2148 PolarHBondContact O-N 3.19Å; E2146-W2148 VanDerWaalsContact C-N 3.32Å; E2146-W2148 PolarHBondContact O-N 2.83Å; W2148-E2150 VanDerWaalsContact C-N 3.27Å; W2148-E2150 PolarHBondContact O-N 3.09Å; W2148-E2150 VanDerWaalsContact O-N 3.1Å; W2148-Q2151 HydrophobicContact CE3-CB 4.24Å; W2148-Q2151 HydrophobicContact CE3-CG 4.38Å; W2148-Q2151 CarbonylContact O-C 3.36Å; W2148-Q2151 WeakPolarHBondContact O-CA 3.17Å; W2148-Q2151 WeakPolarHBondContact O-CB 3.29Å; W2148-Q2151 PolarHBondContact O-N 3.15Å; W2148-Q2151 VanDerWaalsContact O-N 3.14Å; W2148-H2152 AromaticContact CE2-CD2 3.79Å; W2148-H2152 AromaticContact CH2-CD2 3.96Å; W2148-H2152 AromaticContact CZ2-CD2 3.43Å; W2148-H2152 VanDerWaalsContact CZ2-CD2 3.43Å; W2148-H2152 WeakPolarHBondContact CZ2-CD2 3.41Å; W2148-H2152 WeakPolarHBondContact O-CB 3.38Å; W2148-H2152 PolarHBondContact O-CD2 3.11Å; W2148-H2152 VanDerWaalsContact O-CD2 3.26Å; W2148-H2152 PolarHBondContact O-N 3.03Å |
| 2149 | N | 69 | Low | 66.5 | Low | 59.2 Ų | 59.2 | 80.5 Ų | 80.5 | 32% | 0.317 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.6 | -31.1 | 174.1 | -102.8 | -27.9 | 0 | 0 | 0 | 112.9 | Y2145 E2146 R2153 | Y2145-N2149 VanDerWaalsContact CE1-ND2 3.29Å; Y2145-N2149 WeakPolarHBondContact CE1-ND2 3.37Å; Y2145-N2149 WeakPolarHBondContact CE2-ND2 3.37Å; Y2145-N2149 WeakPolarHBondContact O-CB 3.19Å; Y2145-N2149 PolarHBondContact O-N 3.03Å; Y2145-N2149 PolarHBondContact O-ND2 3.06Å; Y2145-N2149 PolarHBondContact OH-ND2 3.14Å; Y2145-N2149 VanDerWaalsContact OH-ND2 3.15Å; E2146-N2149 PolarHBondContact O-N 3.06Å; N2149-R2153 WeakPolarHBondContact O-CB 3.32Å; N2149-R2153 PolarHBondContact O-N 2.97Å; N2149-R2153 VanDerWaalsContact O-N 3.1Å; N2149-R2153 PolarHBondContact O-NH2 2.78Å |
| 2150 | E | 71.8 | Confident | 64.9 | Low | 73 Ų | 73 | 84.5 Ų | 84.5 | 34% | 0.341 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.2 | -43 | 173.2 | -169.3 | 63.5 | -137.9 | 0 | 0 | 111.9 | E2146 F2147 W2148 H2152 R2153 Q2154 | E2146-E2150 VanDerWaalsContact O-CB 3.29Å; E2146-E2150 WeakPolarHBondContact O-CB 3.32Å; E2146-E2150 PolarHBondContact O-N 3.08Å; F2147-E2150 WeakPolarHBondContact O-CB 3.39Å; F2147-E2150 PolarHBondContact O-N 2.94Å; F2147-E2150 VanDerWaalsContact O-N 3.16Å; W2148-E2150 VanDerWaalsContact C-N 3.27Å; W2148-E2150 PolarHBondContact O-N 3.09Å; W2148-E2150 VanDerWaalsContact O-N 3.1Å; E2150-H2152 PolarHBondContact O-N 2.9Å; E2150-R2153 PolarHBondContact O-N 3.18Å; E2150-R2153 IonicContact OE1-CZ 3.27Å; E2150-R2153 IonicContact OE1-NH1 3.18Å; E2150-R2153 PolarHBondContact OE1-NH1 2.94Å; E2150-R2153 IonicContact OE2-CZ 2.97Å; E2150-R2153 IonicContact OE2-NH1 3.2Å; E2150-R2153 PolarHBondContact OE2-NH1 2.87Å; E2150-R2153 IonicContact OE2-NH2 3.08Å; E2150-R2153 PolarHBondContact OE2-NH2 3.06Å; E2150-Q2154 WeakPolarHBondContact O-CB 3.28Å; E2150-Q2154 VanDerWaalsContact O-CG 3.31Å; E2150-Q2154 WeakPolarHBondContact O-CG 3.44Å; E2150-Q2154 PolarHBondContact O-N 3.01Å; E2150-Q2154 PolarHBondContact OE1-NE2 2.9Å; E2150-Q2154 VanDerWaalsContact OE1-NE2 3.08Å |
| 2151 | Q | 65 | Low | 63 | Low | 55.8 Ų | 55.8 | 88.6 Ų | 88.6 | 26% | 0.261 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59 | -49.8 | 172.3 | -68.8 | -58.1 | -57.2 | 0 | 0 | 111.2 | F2147 W2148 R2153 Q2154 Y2155 | F2147-Q2151 HydrophobicContact CD1-CG 4.34Å; F2147-Q2151 HydrophobicContact CE1-CG 3.88Å; F2147-Q2151 HydrophobicContact CE2-CG 4.29Å; F2147-Q2151 HydrophobicContact CZ-CG 3.9Å; F2147-Q2151 VanDerWaalsContact CZ-NE2 3.34Å; F2147-Q2151 WeakPolarHBondContact O-CG 3.25Å; F2147-Q2151 PolarHBondContact O-N 2.99Å; W2148-Q2151 HydrophobicContact CE3-CB 4.24Å; W2148-Q2151 HydrophobicContact CE3-CG 4.38Å; W2148-Q2151 CarbonylContact O-C 3.36Å; W2148-Q2151 WeakPolarHBondContact O-CA 3.17Å; W2148-Q2151 WeakPolarHBondContact O-CB 3.29Å; W2148-Q2151 PolarHBondContact O-N 3.15Å; W2148-Q2151 VanDerWaalsContact O-N 3.14Å; Q2151-R2153 VanDerWaalsContact C-N 3.3Å; Q2151-R2153 PolarHBondContact O-N 3.05Å; Q2151-R2153 VanDerWaalsContact O-N 3.17Å; Q2151-Q2154 CarbonylContact O-C 3.57Å; Q2151-Q2154 WeakPolarHBondContact O-CA 3.36Å; Q2151-Q2154 PolarHBondContact O-N 2.91Å; Q2151-Q2154 VanDerWaalsContact O-N 3.15Å; Q2151-Y2155 HydrophobicContact CB-CD2 4.5Å; Q2151-Y2155 HydrophobicContact CB-CE2 4.47Å; Q2151-Y2155 VanDerWaalsContact O-CD2 3.27Å; Q2151-Y2155 WeakPolarHBondContact O-CD2 3.26Å; Q2151-Y2155 PolarHBondContact O-N 3Å |
| 2152 | H | 62.1 | Low | 61 | Low | 36.6 Ų | 36.6 | 93.6 Ų | 93.6 | 17% | 0.169 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -53.8 | -46.6 | 176.3 | -94.1 | -72.7 | 0 | 0 | 0 | 111.4 | F1955 E1958 W2148 E2150 Q2154 Y2155 H2156 | F1955-H2152 AromaticContact CD2-CE1 3.78Å; E1958-H2152 VanDerWaalsContact CB-CE1 3.41Å; E1958-H2152 WeakPolarHBondContact CB-CE1 3.22Å; E1958-H2152 WeakPolarHBondContact CG-CE1 3.36Å; E1958-H2152 IonicContact OE1-CE1 3.26Å; E1958-H2152 IonicContact OE1-CG 3.44Å; E1958-H2152 IonicContact OE1-ND1 3.15Å; E1958-H2152 PolarHBondContact OE1-ND1 3.38Å; E1958-H2152 WeakPolarHBondContact OE2-CB 3.41Å; E1958-H2152 IonicContact OE2-CD2 3.1Å; E1958-H2152 PolarHBondContact OE2-CD2 3.14Å; E1958-H2152 IonicContact OE2-CE1 3.23Å; E1958-H2152 IonicContact OE2-CG 2.81Å; E1958-H2152 VanDerWaalsContact OE2-CG 3.24Å; E1958-H2152 IonicContact OE2-ND1 3.46Å; E1958-H2152 PolarHBondContact OE2-ND1 3.41Å; E1958-H2152 VanDerWaalsContact OE2-ND1 3.14Å; E1958-H2152 IonicContact OE2-NE2 2.71Å; W2148-H2152 AromaticContact CE2-CD2 3.79Å; W2148-H2152 AromaticContact CH2-CD2 3.96Å; W2148-H2152 AromaticContact CZ2-CD2 3.43Å; W2148-H2152 VanDerWaalsContact CZ2-CD2 3.43Å; W2148-H2152 WeakPolarHBondContact CZ2-CD2 3.41Å; W2148-H2152 WeakPolarHBondContact O-CB 3.38Å; W2148-H2152 PolarHBondContact O-CD2 3.11Å; W2148-H2152 VanDerWaalsContact O-CD2 3.26Å; W2148-H2152 PolarHBondContact O-N 3.03Å; E2150-H2152 PolarHBondContact O-N 2.9Å; H2152-Q2154 VanDerWaalsContact C-N 3.31Å; H2152-Q2154 PolarHBondContact O-N 2.92Å; H2152-Y2155 PolarHBondContact O-N 3.34Å; H2152-Y2155 VanDerWaalsContact O-N 3.08Å; H2152-H2156 AromaticContact CE1-CD2 3.92Å; H2152-H2156 AromaticContact CE1-NE2 3.2Å; H2152-H2156 PolarHBondContact CE1-NE2 2.85Å; H2152-H2156 AromaticContact ND1-CD2 3.38Å; H2152-H2156 PolarHBondContact ND1-CD2 2.81Å; H2152-H2156 AromaticContact ND1-NE2 3.16Å; H2152-H2156 PolarHBondContact ND1-NE2 2.87Å; H2152-H2156 VanDerWaalsContact ND1-NE2 3.16Å; H2152-H2156 PolarHBondContact O-CD2 3.1Å; H2152-H2156 PolarHBondContact O-N 3.11Å; H2152-H2156 VanDerWaalsContact O-N 3.08Å |
| 2153 | R | 63.2 | Low | 59 | Low | 138.8 Ų | 138.8 | 102.1 Ų | 102.1 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 177.1 | -151 | -171.6 | -42 | 117.1 | 16 | 113 | N2149 E2150 Q2151 Y2155 H2156 S2157 | N2149-R2153 WeakPolarHBondContact O-CB 3.32Å; N2149-R2153 PolarHBondContact O-N 2.97Å; N2149-R2153 VanDerWaalsContact O-N 3.1Å; N2149-R2153 PolarHBondContact O-NH2 2.78Å; E2150-R2153 PolarHBondContact O-N 3.18Å; E2150-R2153 IonicContact OE1-CZ 3.27Å; E2150-R2153 IonicContact OE1-NH1 3.18Å; E2150-R2153 PolarHBondContact OE1-NH1 2.94Å; E2150-R2153 IonicContact OE2-CZ 2.97Å; E2150-R2153 IonicContact OE2-NH1 3.2Å; E2150-R2153 PolarHBondContact OE2-NH1 2.87Å; E2150-R2153 IonicContact OE2-NH2 3.08Å; E2150-R2153 PolarHBondContact OE2-NH2 3.06Å; Q2151-R2153 VanDerWaalsContact C-N 3.3Å; Q2151-R2153 PolarHBondContact O-N 3.05Å; Q2151-R2153 VanDerWaalsContact O-N 3.17Å; R2153-Y2155 VanDerWaalsContact C-N 3.32Å; R2153-H2156 PolarHBondContact O-N 2.76Å; R2153-S2157 WeakPolarHBondContact O-CB 3.26Å; R2153-S2157 PolarHBondContact O-N 3.28Å; R2153-S2157 VanDerWaalsContact O-N 3.12Å; R2153-S2157 PolarHBondContact O-OG 3Å |
| 2154 | Q | 62.6 | Low | 57 | Low | 74.2 Ų | 74.2 | 103.7 Ų | 103.7 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.4 | -28.7 | 177 | -72.8 | -179.4 | 27.4 | 0 | 0 | 113.4 | E2150 Q2151 H2152 S2157 K2158 | E2150-Q2154 WeakPolarHBondContact O-CB 3.28Å; E2150-Q2154 VanDerWaalsContact O-CG 3.31Å; E2150-Q2154 WeakPolarHBondContact O-CG 3.44Å; E2150-Q2154 PolarHBondContact O-N 3.01Å; E2150-Q2154 PolarHBondContact OE1-NE2 2.9Å; E2150-Q2154 VanDerWaalsContact OE1-NE2 3.08Å; Q2151-Q2154 CarbonylContact O-C 3.57Å; Q2151-Q2154 WeakPolarHBondContact O-CA 3.36Å; Q2151-Q2154 PolarHBondContact O-N 2.91Å; Q2151-Q2154 VanDerWaalsContact O-N 3.15Å; H2152-Q2154 VanDerWaalsContact C-N 3.31Å; H2152-Q2154 PolarHBondContact O-N 2.92Å; Q2154-S2157 WeakPolarHBondContact CA-OG 3.35Å; Q2154-S2157 PolarHBondContact O-N 3.49Å; Q2154-S2157 PolarHBondContact O-OG 3.13Å; Q2154-K2158 VanDerWaalsContact O-CD 3.24Å; Q2154-K2158 WeakPolarHBondContact O-CD 3.21Å; Q2154-K2158 WeakPolarHBondContact O-CE 3.3Å; Q2154-K2158 WeakPolarHBondContact O-CG 3.33Å; Q2154-K2158 PolarHBondContact O-N 3.11Å |
| 2155 | Y | 54.1 | Low | 55.3 | Low | 149.8 Ų | 149.8 | 107.3 Ų | 107.3 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.7 | -46 | 170 | -87.8 | -76.3 | 0 | 0 | 0 | 111.2 | E1958 Q2151 H2152 R2153 S2157 K2158 | E1958-Y2155 WeakPolarHBondContact OE1-CE2 3.1Å; Q2151-Y2155 HydrophobicContact CB-CD2 4.5Å; Q2151-Y2155 HydrophobicContact CB-CE2 4.47Å; Q2151-Y2155 VanDerWaalsContact O-CD2 3.27Å; Q2151-Y2155 WeakPolarHBondContact O-CD2 3.26Å; Q2151-Y2155 PolarHBondContact O-N 3Å; H2152-Y2155 PolarHBondContact O-N 3.34Å; H2152-Y2155 VanDerWaalsContact O-N 3.08Å; R2153-Y2155 VanDerWaalsContact C-N 3.32Å; Y2155-S2157 VanDerWaalsContact C-N 3.28Å; Y2155-S2157 PolarHBondContact O-N 2.87Å; Y2155-K2158 PolarHBondContact O-N 2.89Å; Y2155-K2158 VanDerWaalsContact O-N 3.08Å |
| 2156 | H | 56 | Low | 53.5 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -28.3 | 176.4 | -76.9 | -68.2 | 0 | 0 | 0 | 113.9 | E1958 R1962 H2152 R2153 K2158 H2175 | E1958-H2156 IonicContact OE1-CD2 3.36Å; E1958-H2156 IonicContact OE1-CE1 3.68Å; E1958-H2156 IonicContact OE1-NE2 3.23Å; E1958-H2156 PolarHBondContact OE1-NE2 2.94Å; R1962-H2156 VanDerWaalsContact CD-CE1 3.42Å; R1962-H2156 WeakPolarHBondContact CD-CE1 3.48Å; R1962-H2156 WeakPolarHBondContact CD-NE2 3.25Å; R1962-H2156 PolarHBondContact NH1-NE2 2.82Å; H2152-H2156 AromaticContact CE1-CD2 3.92Å; H2152-H2156 AromaticContact CE1-NE2 3.2Å; H2152-H2156 PolarHBondContact CE1-NE2 2.85Å; H2152-H2156 AromaticContact ND1-CD2 3.38Å; H2152-H2156 PolarHBondContact ND1-CD2 2.81Å; H2152-H2156 AromaticContact ND1-NE2 3.16Å; H2152-H2156 PolarHBondContact ND1-NE2 2.87Å; H2152-H2156 VanDerWaalsContact ND1-NE2 3.16Å; H2152-H2156 PolarHBondContact O-CD2 3.1Å; H2152-H2156 PolarHBondContact O-N 3.11Å; H2152-H2156 VanDerWaalsContact O-N 3.08Å; R2153-H2156 PolarHBondContact O-N 2.76Å; H2156-K2158 VanDerWaalsContact C-N 3.3Å; H2156-K2158 PolarHBondContact O-N 3.15Å; H2156-H2175 AromaticContact CE1-CE1 3.62Å; H2156-H2175 AromaticContact CE1-ND1 3.85Å; H2156-H2175 AromaticContact CE1-NE2 3.92Å; H2156-H2175 AromaticContact ND1-CE1 3.42Å; H2156-H2175 PolarHBondContact ND1-CE1 3.14Å; H2156-H2175 AromaticContact ND1-NE2 3.45Å; H2156-H2175 PolarHBondContact ND1-NE2 3.04Å |
| 2157 | S | 53.6 | Low | 51.7 | Low | 91.2 Ų | 91.2 | 110.5 Ų | 110.5 | 64% | 0.638 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 1.4 | 179.4 | 85.3 | 0 | 0 | 0 | 0 | 115.2 | R2153 Q2154 Y2155 | R2153-S2157 WeakPolarHBondContact O-CB 3.26Å; R2153-S2157 PolarHBondContact O-N 3.28Å; R2153-S2157 VanDerWaalsContact O-N 3.12Å; R2153-S2157 PolarHBondContact O-OG 3Å; Q2154-S2157 WeakPolarHBondContact CA-OG 3.35Å; Q2154-S2157 PolarHBondContact O-N 3.49Å; Q2154-S2157 PolarHBondContact O-OG 3.13Å; Y2155-S2157 VanDerWaalsContact C-N 3.28Å; Y2155-S2157 PolarHBondContact O-N 2.87Å |
| 2158 | K | 47.4 | Very low | 49.8 | Very low | 149.2 Ų | 149.2 | 113.9 Ų | 113.9 | 65% | 0.649 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 3 | -171.2 | -79.7 | 179.9 | -177.1 | 166.6 | 0 | 115.5 | Q2154 Y2155 H2156 P2160 | Q2154-K2158 VanDerWaalsContact O-CD 3.24Å; Q2154-K2158 WeakPolarHBondContact O-CD 3.21Å; Q2154-K2158 WeakPolarHBondContact O-CE 3.3Å; Q2154-K2158 WeakPolarHBondContact O-CG 3.33Å; Q2154-K2158 PolarHBondContact O-N 3.11Å; Y2155-K2158 PolarHBondContact O-N 2.89Å; Y2155-K2158 VanDerWaalsContact O-N 3.08Å; H2156-K2158 VanDerWaalsContact C-N 3.3Å; H2156-K2158 PolarHBondContact O-N 3.15Å; K2158-P2160 VanDerWaalsContact O-CD 3.26Å; K2158-P2160 WeakPolarHBondContact O-CD 3.33Å |
| 2159 | E | 45 | Very low | 48.6 | Very low | 160.6 Ų | 160.6 | 119 Ų | 119 | 75% | 0.75 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -67 | 126.4 | 168.2 | -88.5 | -168.9 | 145 | 0 | 0 | 109.8 | A2161 | E2159-A2161 PolarHBondContact O-N 3.18Š|
| 2160 | P | 43.7 | Very low | 46.9 | Very low | 106.4 Ų | 106.4 | 121 Ų | 121 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | trans | -78.1 | 133.4 | -162.5 | 11.8 | -9.4 | 0 | 0 | 0 | 112.6 | K2158 D2162 | K2158-P2160 VanDerWaalsContact O-CD 3.26Å; K2158-P2160 WeakPolarHBondContact O-CD 3.33Å; P2160-D2162 VanDerWaalsContact C-N 3.32Å; P2160-D2162 HydrophobicContact CB-CB 4.32Å; P2160-D2162 PolarHBondContact O-N 3.27Å | ||
| 2161 | A | 40.6 | Very low | 45 | Very low | 109.4 Ų | 109.4 | 127.8 Ų | 127.8 | 90% | 0.904 | 68% | 0.684 | S | S | * | * | trans | -71.6 | 37.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E2159 R2163 | E2159-A2161 PolarHBondContact O-N 3.18Å; A2161-R2163 PolarHBondContact O-N 3.04Å | ||
| 2162 | D | 38.2 | Very low | 43.7 | Very low | 149.2 Ų | 149.2 | 130 Ų | 130 | 80% | 0.798 | 70% | 0.704 | S | S | * | * | trans | -111.6 | 42.3 | -171.8 | -127.2 | 0 | 0 | 0 | 0 | 113 | P2160 G2164 | P2160-D2162 VanDerWaalsContact C-N 3.32Å; P2160-D2162 HydrophobicContact CB-CB 4.32Å; P2160-D2162 PolarHBondContact O-N 3.27Å; D2162-G2164 PolarHBondContact O-N 2.8Å | ||
| 2163 | R | 39.7 | Very low | 42.5 | Very low | 243.2 Ų | 243.2 | 136.7 Ų | 136.7 | 92% | 0.918 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -122.2 | 112.3 | 158.3 | -78.8 | -175 | -179.9 | -170.8 | 1.9 | 110.3 | A2161 | A2161-R2163 PolarHBondContact O-N 3.04Š|
| 2164 | G | 34.4 | Very low | 41.4 | Very low | 73.6 Ų | 73.6 | 133.9 Ų | 133.9 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | -46 | 147 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D2162 T2166 | D2162-G2164 PolarHBondContact O-N 2.8Å; G2164-T2166 VanDerWaalsContact C-N 3.3Å; G2164-T2166 PolarHBondContact O-N 3.02Å; G2164-T2166 VanDerWaalsContact O-N 3.14Å | ||
| 2165 | A | 33.7 | Very low | 40.5 | Very low | 101.2 Ų | 101.2 | 136.2 Ų | 136.2 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -66 | 120.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 2166 | T | 36.6 | Very low | 39.7 | Very low | 131.2 Ų | 131.2 | 130.5 Ų | 130.5 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | trans | 159.7 | 88 | 160.3 | 52.6 | 0 | 0 | 0 | 0 | 113 | G2164 | G2164-T2166 VanDerWaalsContact C-N 3.3Å; G2164-T2166 PolarHBondContact O-N 3.02Å; G2164-T2166 VanDerWaalsContact O-N 3.14Å | ||
| 2167 | D | 35.1 | Very low | 39 | Very low | 155.4 Ų | 155.4 | 130.6 Ų | 130.6 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | 168.2 | 112.8 | 133.7 | -99.3 | -16.8 | 0 | 0 | 0 | 113 | L2169 | D2167-L2169 VanDerWaalsContact C-N 3.31Å; D2167-L2169 PolarHBondContact O-N 3.21Å | ||
| 2168 | N | 31.4 | Very low | 38.3 | Very low | 167.2 Ų | 167.2 | 129.4 Ų | 129.4 | 89% | 0.894 | 71% | 0.709 | S | S | * | * | trans | -70.7 | 84.7 | 167.8 | -73.4 | -27.2 | 0 | 0 | 0 | 112.6 | ||||
| 2169 | L | 37.7 | Very low | 37.8 | Very low | 162.4 Ų | 162.4 | 126 Ų | 126 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -135.3 | 110 | 155.2 | -147.5 | 75.6 | 0 | 0 | 0 | 110.3 | D2167 R2171 | D2167-L2169 VanDerWaalsContact C-N 3.31Å; D2167-L2169 PolarHBondContact O-N 3.21Å; L2169-R2171 PolarHBondContact O-N 2.95Å | ||
| 2170 | A | 33.4 | Very low | 37.4 | Very low | 101.2 Ų | 101.2 | 124.6 Ų | 124.6 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | trans | -61.5 | 115.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P2172 | A2170-P2172 WeakPolarHBondContact O-CD 3.44Š| ||
| 2171 | R | 32.2 | Very low | 37.2 | Very low | 214.2 Ų | 214.2 | 124.7 Ų | 124.7 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | trans | -105.9 | 112 | 168.3 | -125.2 | 177.9 | -177.8 | -176.5 | -0.8 | 108.4 | L2169 E2173 | L2169-R2171 PolarHBondContact O-N 2.95Å; R2171-E2173 PolarHBondContact O-N 2.93Å | ||
| 2172 | P | 37.5 | Very low | 36.8 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | trans | -71.6 | 129.9 | 173.7 | 29.2 | -31.7 | 0 | 0 | 0 | 109.3 | A2170 V2174 | A2170-P2172 WeakPolarHBondContact O-CD 3.44Å; P2172-V2174 VanDerWaalsContact C-N 3.34Å; P2172-V2174 HydrophobicContact CB-CG2 4.15Å; P2172-V2174 HydrophobicContact CG-CG2 4.01Å; P2172-V2174 PolarHBondContact O-N 3.25Å | ||
| 2173 | E | 37.3 | Very low | 36.8 | Very low | 176 Ų | 176 | 124.1 Ų | 124.1 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | trans | -71.8 | 87.4 | 170.3 | -69 | 177.6 | 154.3 | 0 | 0 | 109 | R2171 H2175 | R2171-E2173 PolarHBondContact O-N 2.93Å; E2173-H2175 PolarHBondContact O-N 3.08Å; E2173-H2175 VanDerWaalsContact O-N 3.09Å | ||
| 2174 | V | 38.7 | Very low | 36.7 | Very low | 79.4 Ų | 79.4 | 116 Ų | 116 | 48% | 0.481 | 64% | 0.637 | S | S | . | * | trans | -82.2 | 100.5 | 175 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | P2172 M2176 Q2179 | P2172-V2174 VanDerWaalsContact C-N 3.34Å; P2172-V2174 HydrophobicContact CB-CG2 4.15Å; P2172-V2174 HydrophobicContact CG-CG2 4.01Å; P2172-V2174 PolarHBondContact O-N 3.25Å; V2174-M2176 VanDerWaalsContact C-N 3.31Å; V2174-M2176 PolarHBondContact O-N 3.01Å; V2174-M2176 VanDerWaalsContact O-N 3.16Å; V2174-Q2179 HydrophobicContact CG1-CB 4.35Å | ||
| 2175 | H | 43.8 | Very low | 36.6 | Very low | 123.6 Ų | 123.6 | 118.7 Ų | 118.7 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | trans | -55.9 | 113.4 | 166.9 | -75.9 | -77.9 | 0 | 0 | 0 | 109 | H2156 E2173 F2177 D2178 Q2179 | H2156-H2175 AromaticContact CE1-CE1 3.62Å; H2156-H2175 AromaticContact CE1-ND1 3.85Å; H2156-H2175 AromaticContact CE1-NE2 3.92Å; H2156-H2175 AromaticContact ND1-CE1 3.42Å; H2156-H2175 PolarHBondContact ND1-CE1 3.14Å; H2156-H2175 AromaticContact ND1-NE2 3.45Å; H2156-H2175 PolarHBondContact ND1-NE2 3.04Å; E2173-H2175 PolarHBondContact O-N 3.08Å; E2173-H2175 VanDerWaalsContact O-N 3.09Å; H2175-F2177 PolarHBondContact O-N 2.82Å; H2175-F2177 VanDerWaalsContact O-N 3.11Å; H2175-D2178 HydrophobicContact CB-CB 4.24Å; H2175-D2178 CarbonylContact O-C 3.58Å; H2175-D2178 WeakPolarHBondContact O-CA 3.23Å; H2175-D2178 VanDerWaalsContact O-CB 3.24Å; H2175-D2178 WeakPolarHBondContact O-CB 3.39Å; H2175-D2178 PolarHBondContact O-N 3.13Å; H2175-Q2179 PolarHBondContact O-N 3.12Å | ||
| 2176 | M | 38.3 | Very low | 37.1 | Very low | 30.6 Ų | 30.6 | 118.2 Ų | 118.2 | 15% | 0.151 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -66.6 | -18.4 | -174.7 | -168.1 | -178.8 | -45 | 0 | 0 | 112.8 | L1964 T1965 V1968 Q1969 V2174 D2178 Q2179 F2180 | L1964-M2176 HydrophobicContact CB-CE 4.2Å; L1964-M2176 HydrophobicContact CD2-CE 4.1Å; L1964-M2176 HydrophobicContact CG-CE 4.04Å; T1965-M2176 HydrophobicContact CG2-CB 3.67Å; T1965-M2176 HydrophobicContact CG2-CE 4.02Å; T1965-M2176 HydrophobicContact CG2-SD 4.27Å; T1965-M2176 WeakPolarHBondContact OG1-CE 3.44Å; V1968-M2176 HydrophobicContact CB-CE 3.59Å; V1968-M2176 HydrophobicContact CB-SD 3.55Å; V1968-M2176 VanDerWaalsContact CB-SD 3.57Å; V1968-M2176 WeakPolarHBondContact CB-SD 3.36Å; V1968-M2176 HydrophobicContact CG1-CE 3.71Å; V1968-M2176 HydrophobicContact CG1-CG 3.85Å; V1968-M2176 HydrophobicContact CG1-SD 3.42Å; V1968-M2176 VanDerWaalsContact CG1-SD 3.52Å; V1968-M2176 WeakPolarHBondContact CG1-SD 3.37Å; V1968-M2176 HydrophobicContact CG2-CE 3.97Å; V1968-M2176 HydrophobicContact CG2-SD 3.85Å; V1968-M2176 WeakPolarHBondContact CG2-SD 3.46Å; Q1969-M2176 HydrophobicContact CB-CE 3.95Å; Q1969-M2176 HydrophobicContact CG-CE 3.96Å; V2174-M2176 VanDerWaalsContact C-N 3.31Å; V2174-M2176 PolarHBondContact O-N 3.01Å; V2174-M2176 VanDerWaalsContact O-N 3.16Å; M2176-D2178 VanDerWaalsContact C-N 3.29Å; M2176-D2178 PolarHBondContact O-N 2.8Å; M2176-Q2179 HydrophobicContact CG-CB 4.26Å; M2176-Q2179 CarbonylContact O-C 3.53Å; M2176-Q2179 WeakPolarHBondContact O-CA 3.34Å; M2176-Q2179 VanDerWaalsContact O-CB 3.29Å; M2176-Q2179 WeakPolarHBondContact O-CB 3.34Å; M2176-Q2179 PolarHBondContact O-N 3.04Å; M2176-Q2179 VanDerWaalsContact O-N 3.13Å; M2176-F2180 HydrophobicContact CG-CD2 4.34Å; M2176-F2180 HydrophobicContact CG-CE2 4.34Å; M2176-F2180 PolarHBondContact O-N 2.8Å; M2176-F2180 HydrophobicContact SD-CD2 4.28Å; M2176-F2180 HydrophobicContact SD-CE2 4.08Å |
| 2177 | F | 41.1 | Very low | 37.2 | Very low | 113.6 Ų | 113.6 | 115.6 Ų | 115.6 | 50% | 0.498 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -32.9 | 167.7 | -125.5 | -89.8 | 0 | 0 | 0 | 112.5 | T1961 H2175 Q2179 F2180 Q2181 | T1961-F2177 HydrophobicContact CG2-CD2 3.81Å; T1961-F2177 VanDerWaalsContact CG2-CD2 3.44Å; T1961-F2177 HydrophobicContact CG2-CE2 3.61Å; H2175-F2177 PolarHBondContact O-N 2.82Å; H2175-F2177 VanDerWaalsContact O-N 3.11Å; F2177-Q2179 PolarHBondContact O-N 3.01Å; F2177-F2180 PolarHBondContact O-N 3.1Å; F2177-Q2181 HydrophobicContact CD1-CG 4.35Å; F2177-Q2181 VanDerWaalsContact O-CB 3.27Å; F2177-Q2181 WeakPolarHBondContact O-CB 3.27Å; F2177-Q2181 VanDerWaalsContact O-CG 3.27Å; F2177-Q2181 WeakPolarHBondContact O-CG 3.33Å; F2177-Q2181 PolarHBondContact O-N 3.1Å |
| 2178 | D | 38.6 | Very low | 37.7 | Very low | 66.6 Ų | 66.6 | 117.7 Ų | 117.7 | 36% | 0.356 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.5 | -20.4 | 168.2 | -129.6 | 11.6 | 0 | 0 | 0 | 111.8 | H2175 M2176 Q2181 Q2182 R2185 | H2175-D2178 HydrophobicContact CB-CB 4.24Å; H2175-D2178 CarbonylContact O-C 3.58Å; H2175-D2178 WeakPolarHBondContact O-CA 3.23Å; H2175-D2178 VanDerWaalsContact O-CB 3.24Å; H2175-D2178 WeakPolarHBondContact O-CB 3.39Å; H2175-D2178 PolarHBondContact O-N 3.13Å; M2176-D2178 VanDerWaalsContact C-N 3.29Å; M2176-D2178 PolarHBondContact O-N 2.8Å; D2178-Q2181 CarbonylContact O-C 3.53Å; D2178-Q2181 PolarHBondContact O-N 3.3Å; D2178-Q2182 VanDerWaalsContact O-CB 3.27Å; D2178-Q2182 WeakPolarHBondContact O-CB 3.46Å; D2178-Q2182 VanDerWaalsContact O-CG 3.28Å; D2178-Q2182 WeakPolarHBondContact O-CG 3.33Å; D2178-Q2182 PolarHBondContact O-N 3.01Å; D2178-Q2182 PolarHBondContact O-NE2 3.07Å; D2178-Q2182 PolarHBondContact OD2-NE2 2.7Å; D2178-R2185 VanDerWaalsContact CG-NH2 3.26Å; D2178-R2185 IonicContact OD1-CZ 3.7Å; D2178-R2185 IonicContact OD1-NH2 3.04Å; D2178-R2185 PolarHBondContact OD1-NH2 3.22Å; D2178-R2185 IonicContact OD2-CZ 2.87Å; D2178-R2185 IonicContact OD2-NH1 2.64Å; D2178-R2185 IonicContact OD2-NH2 3.74Å; D2178-R2185 PolarHBondContact OD2-NH2 3.16Å; D2178-R2185 VanDerWaalsContact OD2-NH2 3.12Å |
| 2179 | Q | 36.6 | Very low | 38.5 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 36% | 0.36 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -83.8 | -34.3 | 174.5 | -156.3 | 167 | 54.9 | 0 | 0 | 112.3 | V2174 H2175 M2176 F2177 Q2181 Q2182 H2183 | V2174-Q2179 HydrophobicContact CG1-CB 4.35Å; H2175-Q2179 PolarHBondContact O-N 3.12Å; M2176-Q2179 HydrophobicContact CG-CB 4.26Å; M2176-Q2179 CarbonylContact O-C 3.53Å; M2176-Q2179 WeakPolarHBondContact O-CA 3.34Å; M2176-Q2179 VanDerWaalsContact O-CB 3.29Å; M2176-Q2179 WeakPolarHBondContact O-CB 3.34Å; M2176-Q2179 PolarHBondContact O-N 3.04Å; M2176-Q2179 VanDerWaalsContact O-N 3.13Å; F2177-Q2179 PolarHBondContact O-N 3.01Å; Q2179-Q2181 VanDerWaalsContact C-N 3.34Å; Q2179-Q2182 CarbonylContact O-C 3.56Å; Q2179-Q2182 WeakPolarHBondContact O-CA 3.21Å; Q2179-Q2182 WeakPolarHBondContact O-CB 3.31Å; Q2179-Q2182 PolarHBondContact O-N 3.18Å; Q2179-Q2182 VanDerWaalsContact O-N 3.11Å; Q2179-H2183 PolarHBondContact O-CD2 2.9Å; Q2179-H2183 VanDerWaalsContact O-CD2 3.25Å; Q2179-H2183 PolarHBondContact O-N 3.01Å; Q2179-H2183 VanDerWaalsContact O-N 3.1Å; Q2179-H2183 PolarHBondContact O-ND1 3Å |
| 2180 | F | 36.5 | Very low | 39.3 | Very low | 131.6 Ų | 131.6 | 105.2 Ų | 105.2 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 163.7 | -92.9 | -81.8 | 0 | 0 | 0 | 111.4 | V1968 M2176 F2177 Q2182 H2183 A2184 | V1968-F2180 HydrophobicContact CG1-CE2 4.1Å; V1968-F2180 HydrophobicContact CG1-CZ 4.37Å; V1968-F2180 HydrophobicContact CG2-CE2 4.47Å; M2176-F2180 HydrophobicContact CG-CD2 4.34Å; M2176-F2180 HydrophobicContact CG-CE2 4.34Å; M2176-F2180 PolarHBondContact O-N 2.8Å; M2176-F2180 HydrophobicContact SD-CD2 4.28Å; M2176-F2180 HydrophobicContact SD-CE2 4.08Å; F2177-F2180 PolarHBondContact O-N 3.1Å; F2180-Q2182 VanDerWaalsContact C-N 3.26Å; F2180-Q2182 PolarHBondContact O-N 2.84Å; F2180-H2183 CarbonylContact O-C 3.53Å; F2180-H2183 PolarHBondContact O-N 3.1Å; F2180-H2183 VanDerWaalsContact O-N 3.12Å; F2180-A2184 WeakPolarHBondContact O-CB 3.33Å; F2180-A2184 PolarHBondContact O-N 3.19Å |
| 2181 | Q | 39.1 | Very low | 40.6 | Very low | 108.8 Ų | 108.8 | 104.4 Ų | 104.4 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -19.3 | 167.2 | -69.2 | -174.9 | 13.7 | 0 | 0 | 112.7 | F2177 D2178 Q2179 H2183 A2184 R2185 | F2177-Q2181 HydrophobicContact CD1-CG 4.35Å; F2177-Q2181 VanDerWaalsContact O-CB 3.27Å; F2177-Q2181 WeakPolarHBondContact O-CB 3.27Å; F2177-Q2181 VanDerWaalsContact O-CG 3.27Å; F2177-Q2181 WeakPolarHBondContact O-CG 3.33Å; F2177-Q2181 PolarHBondContact O-N 3.1Å; D2178-Q2181 CarbonylContact O-C 3.53Å; D2178-Q2181 PolarHBondContact O-N 3.3Å; Q2179-Q2181 VanDerWaalsContact C-N 3.34Å; Q2181-H2183 VanDerWaalsContact C-N 3.34Å; Q2181-A2184 CarbonylContact O-C 3.54Å; Q2181-A2184 VanDerWaalsContact O-C 3.27Å; Q2181-A2184 PolarHBondContact O-N 3.17Å; Q2181-R2185 VanDerWaalsContact O-CA 3.32Å; Q2181-R2185 WeakPolarHBondContact O-CA 3.3Å; Q2181-R2185 WeakPolarHBondContact O-CB 3.34Å; Q2181-R2185 VanDerWaalsContact O-CD 3.26Å; Q2181-R2185 WeakPolarHBondContact O-CD 3.47Å; Q2181-R2185 VanDerWaalsContact O-CG 3.24Å; Q2181-R2185 WeakPolarHBondContact O-CG 3.41Å; Q2181-R2185 PolarHBondContact O-N 3.03Å; Q2181-R2185 PolarHBondContact O-NE 3.47Å |
| 2182 | Q | 33.3 | Very low | 42.5 | Very low | 83 Ų | 83 | 95.7 Ų | 95.7 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -76.7 | -27.3 | 170.3 | -80 | 159 | 40.8 | 0 | 0 | 112.8 | D2178 Q2179 F2180 A2184 R2185 | D2178-Q2182 VanDerWaalsContact O-CB 3.27Å; D2178-Q2182 WeakPolarHBondContact O-CB 3.46Å; D2178-Q2182 VanDerWaalsContact O-CG 3.28Å; D2178-Q2182 WeakPolarHBondContact O-CG 3.33Å; D2178-Q2182 PolarHBondContact O-N 3.01Å; D2178-Q2182 PolarHBondContact O-NE2 3.07Å; D2178-Q2182 PolarHBondContact OD2-NE2 2.7Å; Q2179-Q2182 CarbonylContact O-C 3.56Å; Q2179-Q2182 WeakPolarHBondContact O-CA 3.21Å; Q2179-Q2182 WeakPolarHBondContact O-CB 3.31Å; Q2179-Q2182 PolarHBondContact O-N 3.18Å; Q2179-Q2182 VanDerWaalsContact O-N 3.11Å; F2180-Q2182 VanDerWaalsContact C-N 3.26Å; F2180-Q2182 PolarHBondContact O-N 2.84Å; Q2182-A2184 VanDerWaalsContact C-N 3.33Å; Q2182-R2185 WeakPolarHBondContact O-CB 3.38Å; Q2182-R2185 PolarHBondContact O-N 3.42Å |
| 2183 | H | 36.9 | Very low | 44.6 | Very low | 162.4 Ų | 162.4 | 94.8 Ų | 94.8 | 75% | 0.752 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -84.6 | -25.4 | 170.2 | -68.8 | -42.6 | 0 | 0 | 0 | 112.6 | Q2179 F2180 Q2181 R2185 | Q2179-H2183 PolarHBondContact O-CD2 2.9Å; Q2179-H2183 VanDerWaalsContact O-CD2 3.25Å; Q2179-H2183 PolarHBondContact O-N 3.01Å; Q2179-H2183 VanDerWaalsContact O-N 3.1Å; Q2179-H2183 PolarHBondContact O-ND1 3Å; F2180-H2183 CarbonylContact O-C 3.53Å; F2180-H2183 PolarHBondContact O-N 3.1Å; F2180-H2183 VanDerWaalsContact O-N 3.12Å; Q2181-H2183 VanDerWaalsContact C-N 3.34Å; H2183-R2185 VanDerWaalsContact C-N 3.27Å |
| 2184 | A | 37.6 | Very low | 46.9 | Very low | 74 Ų | 74 | 89.8 Ų | 89.8 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -90.3 | 3.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F2180 Q2181 Q2182 I2186 | F2180-A2184 WeakPolarHBondContact O-CB 3.33Å; F2180-A2184 PolarHBondContact O-N 3.19Å; Q2181-A2184 CarbonylContact O-C 3.54Å; Q2181-A2184 VanDerWaalsContact O-C 3.27Å; Q2181-A2184 PolarHBondContact O-N 3.17Å; Q2182-A2184 VanDerWaalsContact C-N 3.33Å; A2184-I2186 VanDerWaalsContact C-N 3.34Å; A2184-I2186 PolarHBondContact O-N 3.1Å |
| 2185 | R | 33.6 | Very low | 49.3 | Very low | 130.2 Ų | 130.2 | 88.5 Ų | 88.5 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | trans | -70.8 | 92 | 167.1 | -93.6 | 168.9 | -156.5 | -177.6 | 4.6 | 106.4 | D2178 Q2181 Q2182 H2183 P2187 | D2178-R2185 VanDerWaalsContact CG-NH2 3.26Å; D2178-R2185 IonicContact OD1-CZ 3.7Å; D2178-R2185 IonicContact OD1-NH2 3.04Å; D2178-R2185 PolarHBondContact OD1-NH2 3.22Å; D2178-R2185 IonicContact OD2-CZ 2.87Å; D2178-R2185 IonicContact OD2-NH1 2.64Å; D2178-R2185 IonicContact OD2-NH2 3.74Å; D2178-R2185 PolarHBondContact OD2-NH2 3.16Å; D2178-R2185 VanDerWaalsContact OD2-NH2 3.12Å; Q2181-R2185 VanDerWaalsContact O-CA 3.32Å; Q2181-R2185 WeakPolarHBondContact O-CA 3.3Å; Q2181-R2185 WeakPolarHBondContact O-CB 3.34Å; Q2181-R2185 VanDerWaalsContact O-CD 3.26Å; Q2181-R2185 WeakPolarHBondContact O-CD 3.47Å; Q2181-R2185 VanDerWaalsContact O-CG 3.24Å; Q2181-R2185 WeakPolarHBondContact O-CG 3.41Å; Q2181-R2185 PolarHBondContact O-N 3.03Å; Q2181-R2185 PolarHBondContact O-NE 3.47Å; Q2182-R2185 WeakPolarHBondContact O-CB 3.38Å; Q2182-R2185 PolarHBondContact O-N 3.42Å; H2183-R2185 VanDerWaalsContact C-N 3.27Å; R2185-P2187 VanDerWaalsContact O-CD 3.3Å; R2185-P2187 WeakPolarHBondContact O-CD 3.48Å; R2185-P2187 VanDerWaalsContact O-N 3.1Å | ||
| 2186 | I | 43.4 | Very low | 51.6 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | trans | -35 | 118.3 | 148.6 | -60.5 | 159.3 | 0 | 0 | 0 | 106.2 | A2184 K2188 A2190 N2192 | A2184-I2186 VanDerWaalsContact C-N 3.34Å; A2184-I2186 PolarHBondContact O-N 3.1Å; I2186-K2188 PolarHBondContact O-N 3.27Å; I2186-K2188 VanDerWaalsContact O-N 3.13Å; I2186-A2190 HydrophobicContact CG2-CB 4.1Å; I2186-N2192 WeakPolarHBondContact CD1-ND2 3.34Å; I2186-N2192 WeakPolarHBondContact CG1-ND2 3.34Å; I2186-N2192 HydrophobicContact CG2-CB 4.48Å; I2186-N2192 VanDerWaalsContact CG2-ND2 3.34Å; I2186-N2192 WeakPolarHBondContact CG2-ND2 3.36Å; I2186-N2192 WeakPolarHBondContact CG2-OD1 3.41Å | ||
| 2187 | P | 38.9 | Very low | 54.2 | Low | 75.6 Ų | 75.6 | 84.7 Ų | 84.7 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | trans | -51.9 | 135.9 | -176.3 | -26.3 | 32 | 0 | 0 | 0 | 109.3 | R2185 S2189 A2190 | R2185-P2187 VanDerWaalsContact O-CD 3.3Å; R2185-P2187 WeakPolarHBondContact O-CD 3.48Å; R2185-P2187 VanDerWaalsContact O-N 3.1Å; P2187-S2189 PolarHBondContact O-N 3.02Å; P2187-A2190 HydrophobicContact CB-CB 3.92Å; P2187-A2190 HydrophobicContact CG-CB 4.05Å; P2187-A2190 WeakPolarHBondContact O-CB 3.41Å; P2187-A2190 PolarHBondContact O-N 3.1Å | ||
| 2188 | K | 46.5 | Very low | 56.6 | Low | 199.4 Ų | 199.4 | 79.7 Ų | 79.7 | 87% | 0.867 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -10.3 | -178.6 | -72 | -172.8 | 175.4 | -175.5 | 0 | 113.6 | I2186 | I2186-K2188 PolarHBondContact O-N 3.27Å; I2186-K2188 VanDerWaalsContact O-N 3.13Å |
| 2189 | S | 46.9 | Very low | 58.7 | Low | 55.4 Ų | 55.4 | 79.2 Ų | 79.2 | 39% | 0.387 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -2.7 | 175.5 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | N2110 P2187 | N2110-S2189 VanDerWaalsContact ND2-CB 3.28Å; N2110-S2189 WeakPolarHBondContact ND2-CB 3.3Å; N2110-S2189 PolarHBondContact ND2-O 3.14Å; N2110-S2189 PolarHBondContact ND2-OG 3.13Å; P2187-S2189 PolarHBondContact O-N 3.02Å |
| 2190 | A | 54.9 | Low | 60.9 | Low | 12 Ų | 12 | 81.5 Ų | 81.5 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | trans | -86.3 | 126.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | I2186 P2187 N2192 | I2186-A2190 HydrophobicContact CG2-CB 4.1Å; P2187-A2190 HydrophobicContact CB-CB 3.92Å; P2187-A2190 HydrophobicContact CG-CB 4.05Å; P2187-A2190 WeakPolarHBondContact O-CB 3.41Å; P2187-A2190 PolarHBondContact O-N 3.1Å; A2190-N2192 PolarHBondContact O-N 3.01Å; A2190-N2192 PolarHBondContact O-ND2 3.15Å | ||
| 2191 | Y | 61.6 | Low | 63.3 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | trans | -73.8 | 112.7 | 177.1 | -63.9 | -91.5 | 0 | 0 | 0 | 110.3 | M2108 A2112 T2113 F2193 C2241 | M2108-Y2191 HydrophobicContact CE-CD2 4.28Å; M2108-Y2191 HydrophobicContact CE-CE2 3.61Å; M2108-Y2191 WeakPolarHBondContact CE-OH 3.48Å; M2108-Y2191 HydrophobicContact CG-CE2 4.29Å; M2108-Y2191 HydrophobicContact SD-CE2 3.6Å; M2108-Y2191 WeakPolarHBondContact SD-CE2 3.38Å; M2108-Y2191 PolarHBondContact SD-OH 3.04Å; A2112-Y2191 WeakPolarHBondContact CA-O 3.19Å; T2113-Y2191 PolarHBondContact N-O 3.07Å; Y2191-F2193 HydrophobicContact CD1-CE2 4.48Å; Y2191-F2193 HydrophobicContact CD1-CZ 4.38Å; Y2191-F2193 HydrophobicContact CG-CE2 4.33Å; Y2191-F2193 HydrophobicContact CG-CZ 4.48Å; Y2191-C2241 HydrophobicContact CD1-CB 3.64Å; Y2191-C2241 VanDerWaalsContact CD1-CB 3.44Å; Y2191-C2241 HydrophobicContact CE1-CB 3.79Å; Y2191-C2241 WeakPolarHBondContact CE1-SG 3.18Å; Y2191-C2241 HydrophobicContact CG-CB 4.33Å; Y2191-C2241 VanDerWaalsContact CZ-SG 3.6Å | ||
| 2192 | N | 70.4 | Confident | 65.7 | Low | 31 Ų | 31 | 72.5 Ų | 72.5 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.1 | 168.8 | -75.6 | -24.3 | 0 | 0 | 0 | 109.2 | T2113 I2186 A2190 C2239 S2240 | T2113-N2192 PolarHBondContact OG1-OD1 3.18Å; T2113-N2192 VanDerWaalsContact OG1-OD1 3.08Å; I2186-N2192 WeakPolarHBondContact CD1-ND2 3.34Å; I2186-N2192 WeakPolarHBondContact CG1-ND2 3.34Å; I2186-N2192 HydrophobicContact CG2-CB 4.48Å; I2186-N2192 VanDerWaalsContact CG2-ND2 3.34Å; I2186-N2192 WeakPolarHBondContact CG2-ND2 3.36Å; I2186-N2192 WeakPolarHBondContact CG2-OD1 3.41Å; A2190-N2192 PolarHBondContact O-N 3.01Å; A2190-N2192 PolarHBondContact O-ND2 3.15Å; N2192-C2239 WeakPolarHBondContact O-CA 3.28Å; N2192-S2240 PolarHBondContact N-O 2.98Å; N2192-S2240 PolarHBondContact O-N 3.04Å |
| 2193 | F | 81.6 | Confident | 68.4 | Low | 83.8 Ų | 83.8 | 69.2 Ų | 69.2 | 37% | 0.368 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.2 | 172.2 | -68 | -82.3 | 0 | 0 | 0 | 109.8 | A2112 T2113 S2114 Y2115 Y2191 V2238 C2239 | A2112-F2193 HydrophobicContact CB-CD2 4.08Å; A2112-F2193 HydrophobicContact CB-CE2 3.99Å; T2113-F2193 PolarHBondContact O-N 3.09Å; S2114-F2193 CarbonylContact C-O 3.45Å; S2114-F2193 VanDerWaalsContact CA-O 3.25Å; S2114-F2193 WeakPolarHBondContact CA-O 3.35Å; Y2115-F2193 PolarHBondContact N-O 3Å; Y2191-F2193 HydrophobicContact CD1-CE2 4.48Å; Y2191-F2193 HydrophobicContact CD1-CZ 4.38Å; Y2191-F2193 HydrophobicContact CG-CE2 4.33Å; Y2191-F2193 HydrophobicContact CG-CZ 4.48Å; F2193-V2238 CarbonylContact C-O 3.55Å; F2193-V2238 WeakPolarHBondContact CA-O 3.22Å; F2193-C2239 HydrophobicContact CD1-CB 3.93Å; F2193-C2239 HydrophobicContact CE1-CB 3.83Å; F2193-C2239 VanDerWaalsContact CE1-SG 3.52Å; F2193-C2239 WeakPolarHBondContact CE1-SG 3.4Å |
| 2194 | L | 87 | Confident | 71.1 | Confident | 71.6 Ų | 71.6 | 63.5 Ų | 63.5 | 38% | 0.375 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.4 | 173.6 | 175 | 68.9 | 0 | 0 | 0 | 108.1 | Y2115 V2117 F2196 V2238 | Y2115-L2194 CarbonylContact O-C 3.52Å; Y2115-L2194 WeakPolarHBondContact O-CA 3.39Å; V2117-L2194 HydrophobicContact CG2-CD1 3.76Å; L2194-F2196 HydrophobicContact CD1-CE2 4.09Å; L2194-F2196 HydrophobicContact CD1-CZ 4.08Å; L2194-F2196 HydrophobicContact CD2-CE2 3.59Å; L2194-F2196 HydrophobicContact CD2-CZ 3.73Å; L2194-F2196 HydrophobicContact CG-CD2 4.2Å; L2194-F2196 HydrophobicContact CG-CE2 3.55Å; L2194-F2196 HydrophobicContact CG-CZ 3.94Å; L2194-V2238 HydrophobicContact CB-CB 4.29Å; L2194-V2238 PolarHBondContact N-O 3.16Å; L2194-V2238 PolarHBondContact O-N 2.98Å |
| 2195 | Q | 89.4 | Confident | 73.6 | Confident | 51.8 Ų | 51.8 | 60 Ų | 60 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.8 | 173.8 | -171 | -179 | -74.5 | 0 | 0 | 110 | Y2115 F2116 V2117 R2235 I2236 | Y2115-Q2195 PolarHBondContact O-N 2.97Å; F2116-Q2195 CarbonylContact C-O 3.52Å; F2116-Q2195 WeakPolarHBondContact CA-O 3.32Å; F2116-Q2195 HydrophobicContact CD2-CB 4.31Å; F2116-Q2195 HydrophobicContact CD2-CG 4.38Å; F2116-Q2195 HydrophobicContact CE2-CG 4.4Å; V2117-Q2195 PolarHBondContact N-O 3.12Å; Q2195-R2235 VanDerWaalsContact CD-NE 3.35Å; Q2195-R2235 HydrophobicContact CG-CG 4.37Å; Q2195-R2235 VanDerWaalsContact OE1-CZ 3.28Å; Q2195-I2236 CarbonylContact C-O 3.57Å; Q2195-I2236 VanDerWaalsContact CA-O 3.26Å; Q2195-I2236 WeakPolarHBondContact CA-O 3.36Å; Q2195-I2236 WeakPolarHBondContact CG-O 3.27Å |
| 2196 | F | 91.5 | Very high | 76.3 | Confident | 56.2 Ų | 56.2 | 56.6 Ų | 56.6 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.6 | 173.4 | -175.6 | -83.4 | 0 | 0 | 0 | 110.3 | V2117 L2119 L2194 L2198 T2234 R2235 I2236 V2238 | V2117-F2196 HydrophobicContact CB-CD1 3.56Å; V2117-F2196 HydrophobicContact CB-CD2 4.29Å; V2117-F2196 HydrophobicContact CB-CE1 3.94Å; V2117-F2196 HydrophobicContact CB-CG 4.31Å; V2117-F2196 HydrophobicContact CG1-CD1 3.54Å; V2117-F2196 HydrophobicContact CG1-CD2 3.89Å; V2117-F2196 HydrophobicContact CG1-CE1 3.82Å; V2117-F2196 HydrophobicContact CG1-CE2 4.43Å; V2117-F2196 HydrophobicContact CG2-CD1 4.21Å; V2117-F2196 HydrophobicContact CG2-CE1 4.11Å; V2117-F2196 CarbonylContact O-C 3.54Å; V2117-F2196 VanDerWaalsContact O-CA 3.24Å; V2117-F2196 WeakPolarHBondContact O-CA 3.27Å; L2119-F2196 HydrophobicContact CB-CE2 4.45Å; L2119-F2196 HydrophobicContact CB-CZ 4.39Å; L2119-F2196 HydrophobicContact CD1-CE2 3.57Å; L2119-F2196 VanDerWaalsContact CD1-CE2 3.4Å; L2119-F2196 HydrophobicContact CD1-CZ 3.59Å; L2119-F2196 HydrophobicContact CD2-CE2 4.34Å; L2119-F2196 HydrophobicContact CG-CD2 4.43Å; L2119-F2196 HydrophobicContact CG-CE2 3.59Å; L2119-F2196 VanDerWaalsContact CG-CE2 3.41Å; L2119-F2196 HydrophobicContact CG-CZ 3.84Å; L2194-F2196 HydrophobicContact CD1-CE2 4.09Å; L2194-F2196 HydrophobicContact CD1-CZ 4.08Å; L2194-F2196 HydrophobicContact CD2-CE2 3.59Å; L2194-F2196 HydrophobicContact CD2-CZ 3.73Å; L2194-F2196 HydrophobicContact CG-CD2 4.2Å; L2194-F2196 HydrophobicContact CG-CE2 3.55Å; L2194-F2196 HydrophobicContact CG-CZ 3.94Å; F2196-L2198 HydrophobicContact CE1-CB 4.37Å; F2196-T2234 HydrophobicContact CE1-CG2 4.08Å; F2196-R2235 CarbonylContact O-C 3.51Å; F2196-R2235 WeakPolarHBondContact O-CA 3.39Å; F2196-I2236 HydrophobicContact CB-CB 4.19Å; F2196-I2236 HydrophobicContact CD1-CB 4.2Å; F2196-I2236 HydrophobicContact CD1-CD1 3.86Å; F2196-I2236 HydrophobicContact CD1-CG1 4.21Å; F2196-I2236 HydrophobicContact CD2-CB 4.37Å; F2196-I2236 HydrophobicContact CE1-CD1 4.19Å; F2196-I2236 PolarHBondContact N-O 3.08Å; F2196-I2236 PolarHBondContact O-N 2.8Å; F2196-V2238 HydrophobicContact CE2-CG2 4.45Å |
| 2197 | T | 92.5 | Very high | 78.4 | Confident | 19.6 Ų | 19.6 | 52.4 Ų | 52.4 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.2 | 173.1 | 52 | 0 | 0 | 0 | 0 | 111.1 | F2116 V2117 A2118 L2119 T2234 R2235 | F2116-T2197 HydrophobicContact CE2-CG2 3.87Å; F2116-T2197 WeakPolarHBondContact CE2-OG1 3.25Å; F2116-T2197 HydrophobicContact CZ-CG2 4.29Å; F2116-T2197 VanDerWaalsContact CZ-OG1 3.28Å; F2116-T2197 WeakPolarHBondContact CZ-OG1 3.34Å; V2117-T2197 PolarHBondContact O-N 2.9Å; A2118-T2197 CarbonylContact C-O 3.51Å; A2118-T2197 WeakPolarHBondContact CA-O 3.31Å; A2118-T2197 WeakPolarHBondContact CB-OG1 3.35Å; L2119-T2197 PolarHBondContact N-O 3.07Å; T2197-T2234 CarbonylContact C-O 3.51Å; T2197-T2234 WeakPolarHBondContact CA-O 3.36Å; T2197-R2235 HydrophobicContact CG2-CB 4.31Å; T2197-R2235 HydrophobicContact CG2-CG 4.03Å |
| 2198 | L | 92.4 | Very high | 80.5 | Confident | 7.6 Ų | 7.6 | 48.9 Ų | 48.9 | 4% | 0.04 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 110.4 | 173.1 | 175.9 | 70.4 | 0 | 0 | 0 | 109.2 | L2119 P2122 F2196 L2202 L2231 T2234 | L2119-L2198 HydrophobicContact CB-CD1 4.28Å; L2119-L2198 WeakPolarHBondContact O-CA 3.3Å; P2122-L2198 VanDerWaalsContact CD-CD1 3.46Å; P2122-L2198 HydrophobicContact CG-CD1 3.39Å; P2122-L2198 VanDerWaalsContact CG-CD1 3.43Å; F2196-L2198 HydrophobicContact CE1-CB 4.37Å; L2198-L2202 HydrophobicContact CD1-CB 4.01Å; L2198-L2202 HydrophobicContact CD2-CB 3.56Å; L2198-L2202 VanDerWaalsContact CD2-CB 3.5Å; L2198-L2202 HydrophobicContact CG-CB 4.42Å; L2198-L2231 HydrophobicContact CD2-CB 4.4Å; L2198-L2231 HydrophobicContact CD2-CD2 3.85Å; L2198-L2231 HydrophobicContact CD2-CG 3.86Å; L2198-T2234 HydrophobicContact CB-CG2 3.59Å; L2198-T2234 HydrophobicContact CD2-CG2 3.91Å; L2198-T2234 HydrophobicContact CG-CG2 4.42Å; L2198-T2234 PolarHBondContact N-O 2.86Å |
| 2199 | D | 83.4 | Confident | 81.7 | Confident | 56.6 Ų | 56.6 | 41.9 Ų | 41.9 | 30% | 0.303 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 151.9 | 169.9 | -55.2 | -19.8 | 0 | 0 | 0 | 109 | L2119 R2120 Q2121 G2201 | L2119-D2199 PolarHBondContact O-N 3.08Å; R2120-D2199 WeakPolarHBondContact CA-O 3.43Å; R2120-D2199 HydrophobicContact CB-CB 4.48Å; R2120-D2199 HydrophobicContact CG-CB 3.9Å; R2120-D2199 IonicContact CZ-OD2 3.72Å; R2120-D2199 IonicContact NE-OD2 3.44Å; R2120-D2199 PolarHBondContact NE-OD2 2.97Å; R2120-D2199 IonicContact NH2-OD2 3.21Å; R2120-D2199 PolarHBondContact NH2-OD2 3.08Å; Q2121-D2199 PolarHBondContact N-O 3.01Å; D2199-G2201 PolarHBondContact O-N 2.91Å |
| 2200 | E | 82.7 | Confident | 82.5 | Confident | 125.6 Ų | 125.6 | 43.1 Ų | 43.1 | 59% | 0.587 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 61.2 | 8.9 | 170.1 | -61.5 | 166.8 | -170.2 | 0 | 0 | 116.4 | R2120 Q2121 | R2120-E2200 WeakPolarHBondContact CB-OE2 3.25Å; R2120-E2200 WeakPolarHBondContact CD-OE1 3Å; Q2121-E2200 HydrophobicContact CB-CB 4.18Å |
| 2201 | G | 85.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | trans | 89.8 | 159.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q2121 P2122 D2199 L2231 Q2232 | Q2121-G2201 CarbonylContact C-O 3.51Å; Q2121-G2201 VanDerWaalsContact CA-O 3.22Å; Q2121-G2201 WeakPolarHBondContact CA-O 3.41Å; P2122-G2201 VanDerWaalsContact CD-O 3.23Å; P2122-G2201 WeakPolarHBondContact CD-O 3.28Å; D2199-G2201 PolarHBondContact O-N 2.91Å; G2201-L2231 CarbonylContact C-O 3.53Å; G2201-L2231 VanDerWaalsContact CA-O 3.24Å; G2201-L2231 WeakPolarHBondContact CA-O 3.21Å; G2201-Q2232 WeakPolarHBondContact CA-O 3.25Å; G2201-Q2232 PolarHBondContact N-O 3.01Å | ||
| 2202 | L | 90.7 | Very high | 81.7 | Confident | 47.6 Ų | 47.6 | 46.1 Ų | 46.1 | 25% | 0.249 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.9 | 174.8 | 160.3 | 69.7 | 0 | 0 | 0 | 108.6 | P2122 L2198 I2204 S2230 L2231 | P2122-L2202 HydrophobicContact CB-CD1 3.84Å; P2122-L2202 HydrophobicContact CG-CB 3.94Å; P2122-L2202 HydrophobicContact CG-CD1 3.79Å; P2122-L2202 HydrophobicContact CG-CG 4.44Å; P2122-L2202 CarbonylContact O-C 3.49Å; P2122-L2202 WeakPolarHBondContact O-CA 3.4Å; P2122-L2202 WeakPolarHBondContact O-CD1 3.17Å; L2198-L2202 HydrophobicContact CD1-CB 4.01Å; L2198-L2202 HydrophobicContact CD2-CB 3.56Å; L2198-L2202 VanDerWaalsContact CD2-CB 3.5Å; L2198-L2202 HydrophobicContact CG-CB 4.42Å; L2202-I2204 HydrophobicContact CD1-CG1 4.17Å; L2202-I2204 HydrophobicContact CG-CG1 4.42Å; L2202-S2230 CarbonylContact O-C 3.53Å; L2202-S2230 VanDerWaalsContact O-CA 3.24Å; L2202-S2230 WeakPolarHBondContact O-CA 3.44Å; L2202-L2231 HydrophobicContact CB-CB 4.19Å; L2202-L2231 HydrophobicContact CD2-CB 4.43Å; L2202-L2231 HydrophobicContact CD2-CD2 4.22Å; L2202-L2231 PolarHBondContact N-O 3.01Å; L2202-L2231 PolarHBondContact O-N 2.96Å |
| 2203 | H | 90 | Very high | 80.2 | Confident | 12.4 Ų | 12.4 | 49.3 Ų | 49.3 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.1 | 177 | -53.3 | -69.5 | 0 | 0 | 0 | 111.3 | P2122 V2123 L2124 F2229 S2230 W2268 M2269 V2272 L2273 | P2122-H2203 PolarHBondContact O-N 3Å; V2123-H2203 CarbonylContact C-O 3.54Å; V2123-H2203 WeakPolarHBondContact CA-O 3.38Å; V2123-H2203 HydrophobicContact CG2-CB 4.42Å; L2124-H2203 PolarHBondContact N-O 3.03Å; H2203-F2229 CarbonylContact C-O 3.53Å; H2203-F2229 WeakPolarHBondContact CA-O 3.39Å; H2203-S2230 PolarHBondContact CE1-OG 2.84Å; H2203-S2230 VanDerWaalsContact CE1-OG 3.28Å; H2203-S2230 PolarHBondContact ND1-OG 3.13Å; H2203-S2230 VanDerWaalsContact ND1-OG 3.08Å; H2203-W2268 HydrophobicContact CB-CZ3 4Å; H2203-M2269 HydrophobicContact CB-CG 4.39Å; H2203-V2272 HydrophobicContact CB-CG1 4.12Å; H2203-V2272 PolarHBondContact CE1-O 3.16Å; H2203-V2272 VanDerWaalsContact ND1-CG1 3.33Å; H2203-V2272 WeakPolarHBondContact ND1-CG1 3.35Å; H2203-L2273 WeakPolarHBondContact NE2-CD2 3.44Å |
| 2204 | I | 92.2 | Very high | 78 | Confident | 43.8 Ų | 43.8 | 48.7 Ų | 48.7 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.5 | 175.9 | -50.2 | 175.8 | 0 | 0 | 0 | 108.6 | L2124 L2202 L2206 I2228 F2229 | L2124-I2204 HydrophobicContact CB-CB 4.44Å; L2124-I2204 HydrophobicContact CB-CG1 4.2Å; L2124-I2204 HydrophobicContact CB-CG2 4.2Å; L2124-I2204 HydrophobicContact CD2-CD1 4.44Å; L2124-I2204 HydrophobicContact CD2-CG1 4.31Å; L2124-I2204 HydrophobicContact CD2-CG2 3.88Å; L2124-I2204 HydrophobicContact CG-CG2 4.06Å; L2124-I2204 CarbonylContact O-C 3.53Å; L2124-I2204 VanDerWaalsContact O-CA 3.28Å; L2124-I2204 WeakPolarHBondContact O-CA 3.23Å; L2202-I2204 HydrophobicContact CD1-CG1 4.17Å; L2202-I2204 HydrophobicContact CG-CG1 4.42Å; I2204-L2206 HydrophobicContact CG2-CD2 4.39Å; I2204-L2206 HydrophobicContact CG2-CG 4.49Å; I2204-I2228 CarbonylContact O-C 3.54Å; I2204-I2228 VanDerWaalsContact O-CA 3.29Å; I2204-I2228 WeakPolarHBondContact O-CA 3.35Å; I2204-F2229 HydrophobicContact CB-CB 4.1Å; I2204-F2229 HydrophobicContact CB-CD2 4.21Å; I2204-F2229 HydrophobicContact CB-CG 4.49Å; I2204-F2229 HydrophobicContact CD1-CB 4.48Å; I2204-F2229 HydrophobicContact CG1-CB 4.47Å; I2204-F2229 HydrophobicContact CG2-CD2 4.4Å; I2204-F2229 PolarHBondContact N-O 3.32Å; I2204-F2229 PolarHBondContact O-N 3.13Å |
| 2205 | C | 91.1 | Very high | 75.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.4 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | L2124 Y2125 V2126 I2228 F2261 W2268 | L2124-C2205 PolarHBondContact O-N 3.16Å; Y2125-C2205 HydrophobicContact CD2-CB 4.14Å; V2126-C2205 PolarHBondContact N-O 3.08Å; V2126-C2205 VanDerWaalsContact N-O 3.13Å; C2205-I2228 HydrophobicContact CB-CD1 3.74Å; C2205-I2228 HydrophobicContact CB-CG1 4.4Å; C2205-I2228 VanDerWaalsContact SG-CD1 3.58Å; C2205-F2261 VanDerWaalsContact SG-CE2 3.54Å; C2205-F2261 WeakPolarHBondContact SG-CE2 3.27Å; C2205-W2268 HydrophobicContact CB-CD2 4Å; C2205-W2268 HydrophobicContact CB-CE3 3.89Å; C2205-W2268 HydrophobicContact CB-CH2 3.58Å; C2205-W2268 HydrophobicContact CB-CZ2 3.86Å; C2205-W2268 HydrophobicContact CB-CZ3 3.67Å; C2205-W2268 VanDerWaalsContact CB-CZ3 3.43Å |
| 2206 | L | 90 | Very high | 72.6 | Confident | 59.2 Ų | 59.2 | 52.1 Ų | 52.1 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 96.2 | 175.7 | -58.1 | -177.2 | 0 | 0 | 0 | 110.1 | V2126 I2204 A2226 L2227 F2229 | V2126-L2206 HydrophobicContact CB-CD2 3.91Å; V2126-L2206 HydrophobicContact CG2-CD2 4.44Å; I2204-L2206 HydrophobicContact CG2-CD2 4.39Å; I2204-L2206 HydrophobicContact CG2-CG 4.49Å; L2206-A2226 WeakPolarHBondContact O-CA 3.29Å; L2206-L2227 HydrophobicContact CB-CB 4.42Å; L2206-L2227 PolarHBondContact N-O 3.15Å; L2206-L2227 PolarHBondContact O-N 3.11Å; L2206-F2229 HydrophobicContact CD1-CE2 3.82Å; L2206-F2229 HydrophobicContact CD1-CZ 4.48Å; L2206-F2229 HydrophobicContact CG-CE2 4.33Å |
| 2207 | P | 87.5 | Confident | 69.8 | Low | 1.8 Ų | 1.8 | 53.6 Ų | 53.6 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 138.4 | 175.3 | 10.2 | -8.5 | 0 | 0 | 0 | 111.4 | Y2125 V2126 Q2127 P2128 F2223 A2226 F2261 | Y2125-P2207 HydrophobicContact CD2-CG 4.23Å; Y2125-P2207 HydrophobicContact CE2-CG 3.57Å; Y2125-P2207 VanDerWaalsContact CE2-CG 3.41Å; V2126-P2207 WeakPolarHBondContact O-CD 3.37Å; Q2127-P2207 HydrophobicContact CG-CG 4.22Å; P2128-P2207 WeakPolarHBondContact CD-O 3.24Å; P2128-P2207 WeakPolarHBondContact CG-O 3.4Å; P2207-F2223 HydrophobicContact CB-CB 4.16Å; P2207-F2223 HydrophobicContact CB-CD1 3.6Å; P2207-F2223 VanDerWaalsContact CB-CD1 3.42Å; P2207-F2223 HydrophobicContact CB-CD2 4.15Å; P2207-F2223 HydrophobicContact CB-CE1 3.91Å; P2207-F2223 HydrophobicContact CB-CE2 4.26Å; P2207-F2223 HydrophobicContact CB-CG 3.72Å; P2207-F2223 HydrophobicContact CB-CZ 4.26Å; P2207-F2223 HydrophobicContact CG-CD1 4.38Å; P2207-F2223 HydrophobicContact CG-CE1 4.24Å; P2207-F2223 HydrophobicContact CG-CZ 4.35Å; P2207-A2226 HydrophobicContact CB-CB 4.45Å; P2207-F2261 HydrophobicContact CB-CD1 4.34Å; P2207-F2261 HydrophobicContact CB-CE1 4.18Å; P2207-F2261 HydrophobicContact CB-CZ 4.38Å; P2207-F2261 HydrophobicContact CG-CE1 3.89Å; P2207-F2261 HydrophobicContact CG-CZ 4.21Å |
| 2208 | C | 82.9 | Confident | 67 | Low | 2.4 Ų | 2.4 | 61.8 Ų | 61.8 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.5 | -176.2 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | E2210 C2225 V2335 T2339 | C2208-E2210 PolarHBondContact O-N 3.24Å; C2208-C2225 PolarHBondContact N-O 2.99Å; C2208-V2335 HydrophobicContact CB-CG1 3.84Å; C2208-T2339 WeakPolarHBondContact CA-OG1 3.34Å; C2208-T2339 HydrophobicContact CB-CG2 4.49Å; C2208-T2339 WeakPolarHBondContact CB-OG1 3.32Å |
| 2209 | Y | 71.1 | Confident | 64.5 | Low | 51.8 Ų | 51.8 | 65.4 Ų | 65.4 | 20% | 0.203 | 44% | 0.44 | C | S | . | . | trans | -79.4 | 112 | -179.6 | -65.4 | -57.5 | 0 | 0 | 0 | 111.4 | P2128 R2129 G2211 F2223 T2339 S2342 | P2128-Y2209 HydrophobicContact CB-CD2 4.4Å; P2128-Y2209 HydrophobicContact CB-CE2 3.55Å; P2128-Y2209 HydrophobicContact CG-CD2 4.25Å; P2128-Y2209 HydrophobicContact CG-CE1 4.32Å; P2128-Y2209 HydrophobicContact CG-CE2 3.71Å; R2129-Y2209 WeakPolarHBondContact CG-OH 3.35Å; R2129-Y2209 PolarHBondContact N-OH 3.15Å; Y2209-G2211 VanDerWaalsContact C-N 3.33Å; Y2209-G2211 PolarHBondContact O-N 3Å; Y2209-F2223 HydrophobicContact CD1-CD1 4.1Å; Y2209-F2223 AromaticContact CD1-CE1 3.73Å; Y2209-F2223 HydrophobicContact CD1-CE1 3.73Å; Y2209-F2223 HydrophobicContact CE1-CD1 4.25Å; Y2209-F2223 AromaticContact CE1-CE1 3.49Å; Y2209-F2223 HydrophobicContact CE1-CE1 3.49Å; Y2209-F2223 VanDerWaalsContact CE1-CE1 3.45Å; Y2209-F2223 AromaticContact CE1-CZ 3.98Å; Y2209-F2223 HydrophobicContact CE1-CZ 4.16Å; Y2209-T2339 HydrophobicContact CD2-CG2 4.17Å; Y2209-T2339 PolarHBondContact N-OG1 2.98Å; Y2209-T2339 VanDerWaalsContact N-OG1 3.11Å; Y2209-S2342 WeakPolarHBondContact CD2-OG 3.28Å | ||
| 2210 | E | 65.2 | Low | 62.7 | Low | 79.8 Ų | 79.8 | 66.2 Ų | 66.2 | 37% | 0.373 | 45% | 0.454 | S | S | . | . | trans | -83.9 | 107.3 | 160.6 | -163.7 | 169.1 | -168.4 | 0 | 0 | 108.4 | C2208 A2212 G2224 H2331 R2721 R2725 | C2208-E2210 PolarHBondContact O-N 3.24Å; E2210-A2212 PolarHBondContact O-N 3.04Å; E2210-A2212 VanDerWaalsContact O-N 3.09Å; E2210-G2224 WeakPolarHBondContact OE2-CA 3.44Å; E2210-H2331 IonicContact OE1-NE2 3.68Å; E2210-R2721 IonicContact OE1-CZ 3.79Å; E2210-R2721 IonicContact OE1-NH1 3.25Å; E2210-R2721 PolarHBondContact OE1-NH1 2.92Å; E2210-R2721 IonicContact OE1-NH2 3.61Å; E2210-R2721 IonicContact OE2-NH1 2.74Å; E2210-R2721 PolarHBondContact OE2-NH1 2.86Å; E2210-R2725 IonicContact OE1-NH2 2.68Å | ||
| 2211 | G | 54.7 | Low | 61.2 | Low | 58.8 Ų | 58.8 | 63.7 Ų | 63.7 | 61% | 0.606 | 45% | 0.445 | S | S | * | . | trans | -65.4 | 107.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | Y2209 A2213 | Y2209-G2211 VanDerWaalsContact C-N 3.33Å; Y2209-G2211 PolarHBondContact O-N 3Å; G2211-A2213 VanDerWaalsContact C-N 3.32Å; G2211-A2213 PolarHBondContact O-N 2.88Å; G2211-A2213 VanDerWaalsContact O-N 3.14Å | ||
| 2212 | A | 43.8 | Very low | 59.9 | Low | 103.4 Ų | 103.4 | 68.8 Ų | 68.8 | 86% | 0.855 | 47% | 0.468 | S | S | * | . | trans | -67.9 | 91.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E2210 G2214 | E2210-A2212 PolarHBondContact O-N 3.04Å; E2210-A2212 VanDerWaalsContact O-N 3.09Å; A2212-G2214 PolarHBondContact O-N 3.06Å | ||
| 2213 | A | 39.8 | Very low | 58.6 | Low | 97 Ų | 97 | 67.5 Ų | 67.5 | 80% | 0.802 | 46% | 0.46 | S | S | * | . | trans | -104.1 | 76.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | G2211 | G2211-A2213 VanDerWaalsContact C-N 3.32Å; G2211-A2213 PolarHBondContact O-N 2.88Å; G2211-A2213 VanDerWaalsContact O-N 3.14Å | ||
| 2214 | G | 34.3 | Very low | 57.8 | Low | 71.6 Ų | 71.6 | 68.1 Ų | 68.1 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 147.3 | 106.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A2212 S2216 | A2212-G2214 PolarHBondContact O-N 3.06Å; G2214-S2216 PolarHBondContact O-N 2.93Å; G2214-S2216 VanDerWaalsContact O-N 3.16Å |
| 2215 | G | 31.2 | Very low | 57.3 | Low | 84.2 Ų | 84.2 | 66.3 Ų | 66.3 | 87% | 0.868 | 46% | 0.461 | S | S | * | . | trans | 47.5 | 104.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2216 | S | 32.6 | Very low | 57.1 | Low | 110.4 Ų | 110.4 | 66.3 Ų | 66.3 | 77% | 0.772 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 148.1 | 101 | 148.1 | -170.6 | 0 | 0 | 0 | 0 | 113.8 | G2214 R2218 | G2214-S2216 PolarHBondContact O-N 2.93Å; G2214-S2216 VanDerWaalsContact O-N 3.16Å; S2216-R2218 VanDerWaalsContact C-N 3.34Å; S2216-R2218 PolarHBondContact O-N 2.97Å; S2216-R2218 VanDerWaalsContact O-N 3.07Å |
| 2217 | G | 32.2 | Very low | 57.2 | Low | 89 Ų | 89 | 64.1 Ų | 64.1 | 92% | 0.918 | 45% | 0.449 | S | S | * | . | trans | 51 | 14.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2218 | R | 34.9 | Very low | 57.3 | Low | 191.4 Ų | 191.4 | 64.1 Ų | 64.1 | 72% | 0.722 | 45% | 0.449 | S | S | * | . | trans | -85.7 | 138.3 | 176.1 | -73.9 | 178.6 | 166.9 | -141.4 | -0.6 | 111.3 | S2216 E2222 | S2216-R2218 VanDerWaalsContact C-N 3.34Å; S2216-R2218 PolarHBondContact O-N 2.97Å; S2216-R2218 VanDerWaalsContact O-N 3.07Å; R2218-E2222 VanDerWaalsContact CD-OE1 3.3Å; R2218-E2222 WeakPolarHBondContact CD-OE1 3.41Å; R2218-E2222 WeakPolarHBondContact CD-OE2 3.3Å; R2218-E2222 IonicContact CZ-OE1 3.44Å; R2218-E2222 IonicContact CZ-OE2 3.04Å; R2218-E2222 IonicContact NE-OE1 3.34Å; R2218-E2222 PolarHBondContact NE-OE1 2.88Å; R2218-E2222 IonicContact NE-OE2 3.89Å; R2218-E2222 VanDerWaalsContact NH1-CD 3.28Å; R2218-E2222 IonicContact NH1-OE1 3.27Å; R2218-E2222 PolarHBondContact NH1-OE1 3.03Å; R2218-E2222 VanDerWaalsContact NH1-OE1 3.08Å; R2218-E2222 IonicContact NH1-OE2 3.28Å; R2218-E2222 PolarHBondContact NH1-OE2 2.92Å | ||
| 2219 | S | 39.3 | Very low | 57.7 | Low | 82.8 Ų | 82.8 | 66.8 Ų | 66.8 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | trans | -61.5 | 147.3 | -177.2 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | D2221 | S2219-D2221 PolarHBondContact O-N 2.92Š| ||
| 2220 | A | 45.5 | Very low | 58.6 | Low | 73 Ų | 73 | 65.2 Ų | 65.2 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 28.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R2129 | R2129-A2220 PolarHBondContact NH1-O 2.93Å; R2129-A2220 PolarHBondContact NH2-O 2.93Å |
| 2221 | D | 51.3 | Low | 59.8 | Low | 73.8 Ų | 73.8 | 62.3 Ų | 62.3 | 40% | 0.395 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 3 | -173.3 | -71.6 | -17.7 | 0 | 0 | 0 | 113.3 | R2129 S2219 F2223 S2263 | R2129-D2221 IonicContact CZ-OD1 3.11Å; R2129-D2221 IonicContact NH1-OD1 3.23Å; R2129-D2221 PolarHBondContact NH1-OD1 3.21Å; R2129-D2221 VanDerWaalsContact NH1-OD1 3.07Å; R2129-D2221 IonicContact NH2-OD1 3.71Å; S2219-D2221 PolarHBondContact O-N 2.92Å; D2221-F2223 VanDerWaalsContact O-CD2 3.26Å; D2221-F2223 WeakPolarHBondContact O-CD2 3.22Å; D2221-F2223 WeakPolarHBondContact O-CE2 3.24Å; D2221-F2223 PolarHBondContact O-N 3Å; D2221-S2263 PolarHBondContact O-OG 3.35Å |
| 2222 | E | 57.4 | Low | 61.4 | Low | 110.6 Ų | 110.6 | 65 Ų | 65 | 52% | 0.517 | 44% | 0.441 | S | S | . | . | trans | -76.8 | 111.5 | 171.2 | -71.2 | -173.6 | -178.5 | 0 | 0 | 110.7 | R2218 | R2218-E2222 VanDerWaalsContact CD-OE1 3.3Å; R2218-E2222 WeakPolarHBondContact CD-OE1 3.41Å; R2218-E2222 WeakPolarHBondContact CD-OE2 3.3Å; R2218-E2222 IonicContact CZ-OE1 3.44Å; R2218-E2222 IonicContact CZ-OE2 3.04Å; R2218-E2222 IonicContact NE-OE1 3.34Å; R2218-E2222 PolarHBondContact NE-OE1 2.88Å; R2218-E2222 IonicContact NE-OE2 3.89Å; R2218-E2222 VanDerWaalsContact NH1-CD 3.28Å; R2218-E2222 IonicContact NH1-OE1 3.27Å; R2218-E2222 PolarHBondContact NH1-OE1 3.03Å; R2218-E2222 VanDerWaalsContact NH1-OE1 3.08Å; R2218-E2222 IonicContact NH1-OE2 3.28Å; R2218-E2222 PolarHBondContact NH1-OE2 2.92Å | ||
| 2223 | F | 64.6 | Low | 63.6 | Low | 20 Ų | 20 | 62.1 Ų | 62.1 | 9% | 0.088 | 42% | 0.415 | C | S | . | . | trans | -99.8 | 118.3 | 175.3 | -62.2 | -83.2 | 0 | 0 | 0 | 110.3 | Q2127 P2207 Y2209 D2221 F2261 S2263 | Q2127-F2223 HydrophobicContact CB-CZ 4.41Å; Q2127-F2223 HydrophobicContact CG-CE2 4.36Å; Q2127-F2223 HydrophobicContact CG-CZ 4Å; P2207-F2223 HydrophobicContact CB-CB 4.16Å; P2207-F2223 HydrophobicContact CB-CD1 3.6Å; P2207-F2223 VanDerWaalsContact CB-CD1 3.42Å; P2207-F2223 HydrophobicContact CB-CD2 4.15Å; P2207-F2223 HydrophobicContact CB-CE1 3.91Å; P2207-F2223 HydrophobicContact CB-CE2 4.26Å; P2207-F2223 HydrophobicContact CB-CG 3.72Å; P2207-F2223 HydrophobicContact CB-CZ 4.26Å; P2207-F2223 HydrophobicContact CG-CD1 4.38Å; P2207-F2223 HydrophobicContact CG-CE1 4.24Å; P2207-F2223 HydrophobicContact CG-CZ 4.35Å; Y2209-F2223 HydrophobicContact CD1-CD1 4.1Å; Y2209-F2223 AromaticContact CD1-CE1 3.73Å; Y2209-F2223 HydrophobicContact CD1-CE1 3.73Å; Y2209-F2223 HydrophobicContact CE1-CD1 4.25Å; Y2209-F2223 AromaticContact CE1-CE1 3.49Å; Y2209-F2223 HydrophobicContact CE1-CE1 3.49Å; Y2209-F2223 VanDerWaalsContact CE1-CE1 3.45Å; Y2209-F2223 AromaticContact CE1-CZ 3.98Å; Y2209-F2223 HydrophobicContact CE1-CZ 4.16Å; D2221-F2223 VanDerWaalsContact O-CD2 3.26Å; D2221-F2223 WeakPolarHBondContact O-CD2 3.22Å; D2221-F2223 WeakPolarHBondContact O-CE2 3.24Å; D2221-F2223 PolarHBondContact O-N 3Å; F2223-F2261 HydrophobicContact CB-CD1 3.98Å; F2223-F2261 VanDerWaalsContact O-O 3.07Å; F2223-S2263 WeakPolarHBondContact CD2-OG 3.46Å | ||
| 2224 | G | 71.6 | Confident | 66.1 | Low | 24.6 Ų | 24.6 | 58.4 Ų | 58.4 | 25% | 0.254 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -73.2 | -29.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2210 E2259 Q2260 F2261 | E2210-G2224 WeakPolarHBondContact OE2-CA 3.44Å; G2224-E2259 CarbonylContact O-C 3.53Å; G2224-Q2260 PolarHBondContact O-N 3.13Å; G2224-Q2260 VanDerWaalsContact O-N 3.16Å; G2224-F2261 PolarHBondContact O-N 3.35Å |
| 2225 | C | 83.3 | Confident | 68.9 | Low | 7 Ų | 7 | 61.1 Ų | 61.1 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.7 | 179.1 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | C2208 L2258 L2332 V2335 | C2208-C2225 PolarHBondContact N-O 2.99Å; C2225-L2258 CarbonylContact C-O 3.55Å; C2225-L2258 VanDerWaalsContact CA-O 3.25Å; C2225-L2258 WeakPolarHBondContact CA-O 3.34Å; C2225-L2258 VanDerWaalsContact CB-O 3.26Å; C2225-L2258 WeakPolarHBondContact CB-O 3.4Å; C2225-L2332 HydrophobicContact CB-CD2 4.01Å; C2225-V2335 VanDerWaalsContact SG-CG1 3.57Å |
| 2226 | A | 86.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2206 P2207 I2228 F2257 L2258 F2261 | L2206-A2226 WeakPolarHBondContact O-CA 3.29Å; P2207-A2226 HydrophobicContact CB-CB 4.45Å; A2226-I2228 HydrophobicContact CB-CD1 4.11Å; A2226-F2257 WeakPolarHBondContact O-CA 3.24Å; A2226-L2258 PolarHBondContact N-O 2.88Å; A2226-L2258 PolarHBondContact O-N 2.97Å; A2226-F2261 HydrophobicContact CB-CB 4.21Å; A2226-F2261 HydrophobicContact CB-CD1 4.29Å; A2226-F2261 HydrophobicContact CB-CD2 3.4Å; A2226-F2261 VanDerWaalsContact CB-CD2 3.44Å; A2226-F2261 HydrophobicContact CB-CE2 3.95Å; A2226-F2261 HydrophobicContact CB-CG 3.82Å; A2226-F2261 HydrophobicContact CB-CZ 4.4Å |
| 2227 | L | 90.2 | Very high | 74.6 | Confident | 13.4 Ų | 13.4 | 55.7 Ų | 55.7 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.7 | 168.1 | 179.3 | 65.6 | 0 | 0 | 0 | 108.5 | L2206 F2229 V2255 F2257 L2336 | L2206-L2227 HydrophobicContact CB-CB 4.42Å; L2206-L2227 PolarHBondContact N-O 3.15Å; L2206-L2227 PolarHBondContact O-N 3.11Å; L2227-F2229 HydrophobicContact CD2-CE2 3.73Å; L2227-F2229 HydrophobicContact CD2-CZ 3.71Å; L2227-F2229 HydrophobicContact CG-CE2 3.83Å; L2227-F2229 HydrophobicContact CG-CZ 4.16Å; L2227-V2255 HydrophobicContact CD1-CG1 3.79Å; L2227-V2255 HydrophobicContact CG-CG1 4.36Å; L2227-F2257 HydrophobicContact CB-CD1 4.41Å; L2227-F2257 HydrophobicContact CB-CE1 4.36Å; L2227-F2257 HydrophobicContact CD1-CD1 4.13Å; L2227-F2257 HydrophobicContact CD1-CD2 4.39Å; L2227-F2257 HydrophobicContact CD1-CE1 3.94Å; L2227-F2257 HydrophobicContact CD1-CE2 4.2Å; L2227-F2257 HydrophobicContact CD1-CG 4.37Å; L2227-F2257 HydrophobicContact CD1-CZ 3.98Å; L2227-L2336 HydrophobicContact CD2-CD1 4.08Å; L2227-L2336 HydrophobicContact CD2-CD2 4.07Å |
| 2228 | I | 90.2 | Very high | 77.3 | Confident | 0.4 Ų | 0.4 | 52.8 Ų | 52.8 | 0% | 0.002 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.6 | -179.2 | -54 | -146.1 | 0 | 0 | 0 | 109.4 | I2204 C2205 A2226 V2255 Y2256 L2258 W2268 V2272 | I2204-I2228 CarbonylContact O-C 3.54Å; I2204-I2228 VanDerWaalsContact O-CA 3.29Å; I2204-I2228 WeakPolarHBondContact O-CA 3.35Å; C2205-I2228 HydrophobicContact CB-CD1 3.74Å; C2205-I2228 HydrophobicContact CB-CG1 4.4Å; C2205-I2228 VanDerWaalsContact SG-CD1 3.58Å; A2226-I2228 HydrophobicContact CB-CD1 4.11Å; I2228-V2255 CarbonylContact O-C 3.53Å; I2228-V2255 VanDerWaalsContact O-CA 3.3Å; I2228-V2255 WeakPolarHBondContact O-CA 3.34Å; I2228-Y2256 HydrophobicContact CB-CD1 4.34Å; I2228-Y2256 HydrophobicContact CB-CD2 4.33Å; I2228-Y2256 HydrophobicContact CB-CE1 4Å; I2228-Y2256 HydrophobicContact CB-CE2 3.9Å; I2228-Y2256 HydrophobicContact CB-CG 4.39Å; I2228-Y2256 HydrophobicContact CD1-CE2 3.79Å; I2228-Y2256 WeakPolarHBondContact CD1-OH 3.49Å; I2228-Y2256 HydrophobicContact CG1-CD2 4.34Å; I2228-Y2256 HydrophobicContact CG1-CE2 4.16Å; I2228-Y2256 HydrophobicContact CG2-CE1 3.83Å; I2228-Y2256 HydrophobicContact CG2-CE2 4.32Å; I2228-Y2256 WeakPolarHBondContact CG2-OH 3.33Å; I2228-Y2256 PolarHBondContact N-O 2.98Å; I2228-Y2256 PolarHBondContact O-N 3.07Å; I2228-L2258 HydrophobicContact CD1-CB 4.01Å; I2228-L2258 HydrophobicContact CD1-CD2 3.98Å; I2228-L2258 HydrophobicContact CG1-CB 3.98Å; I2228-W2268 HydrophobicContact CD1-CB 4Å; I2228-W2268 HydrophobicContact CD1-CD2 4.46Å; I2228-W2268 HydrophobicContact CD1-CE3 4.25Å; I2228-W2268 HydrophobicContact CD1-CG 4.21Å; I2228-W2268 HydrophobicContact CG2-CE3 4.39Å; I2228-V2272 HydrophobicContact CD1-CG2 4.24Å; I2228-V2272 HydrophobicContact CG1-CG2 4.36Å; I2228-V2272 HydrophobicContact CG2-CG1 4.09Å; I2228-V2272 HydrophobicContact CG2-CG2 4.23Å |
| 2229 | F | 91.6 | Very high | 79.6 | Confident | 59.2 Ų | 59.2 | 45 Ų | 45 | 26% | 0.26 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.9 | 165.5 | -52.8 | -108.2 | 0 | 0 | 0 | 107.8 | H2203 I2204 L2206 L2227 F2253 C2254 V2255 | H2203-F2229 CarbonylContact C-O 3.53Å; H2203-F2229 WeakPolarHBondContact CA-O 3.39Å; I2204-F2229 HydrophobicContact CB-CB 4.1Å; I2204-F2229 HydrophobicContact CB-CD2 4.21Å; I2204-F2229 HydrophobicContact CB-CG 4.49Å; I2204-F2229 HydrophobicContact CD1-CB 4.48Å; I2204-F2229 HydrophobicContact CG1-CB 4.47Å; I2204-F2229 HydrophobicContact CG2-CD2 4.4Å; I2204-F2229 PolarHBondContact N-O 3.32Å; I2204-F2229 PolarHBondContact O-N 3.13Å; L2206-F2229 HydrophobicContact CD1-CE2 3.82Å; L2206-F2229 HydrophobicContact CD1-CZ 4.48Å; L2206-F2229 HydrophobicContact CG-CE2 4.33Å; L2227-F2229 HydrophobicContact CD2-CE2 3.73Å; L2227-F2229 HydrophobicContact CD2-CZ 3.71Å; L2227-F2229 HydrophobicContact CG-CE2 3.83Å; L2227-F2229 HydrophobicContact CG-CZ 4.16Å; F2229-F2253 HydrophobicContact CD1-CZ 4.32Å; F2229-C2254 CarbonylContact C-O 3.55Å; F2229-C2254 WeakPolarHBondContact CA-O 3.3Å; F2229-V2255 HydrophobicContact CD1-CB 4.33Å; F2229-V2255 HydrophobicContact CD1-CG1 3.93Å; F2229-V2255 HydrophobicContact CD1-CG2 3.53Å; F2229-V2255 HydrophobicContact CE1-CG1 3.83Å; F2229-V2255 HydrophobicContact CE1-CG2 3.97Å; F2229-V2255 HydrophobicContact CG-CG1 4.4Å; F2229-V2255 HydrophobicContact CG-CG2 4.37Å; F2229-V2255 HydrophobicContact CZ-CG1 4.29Å |
| 2230 | S | 89.9 | Confident | 81.5 | Confident | 18.6 Ų | 18.6 | 43.5 Ų | 43.5 | 13% | 0.13 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.5 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | L2202 H2203 F2253 C2254 | L2202-S2230 CarbonylContact O-C 3.53Å; L2202-S2230 VanDerWaalsContact O-CA 3.24Å; L2202-S2230 WeakPolarHBondContact O-CA 3.44Å; H2203-S2230 PolarHBondContact CE1-OG 2.84Å; H2203-S2230 VanDerWaalsContact CE1-OG 3.28Å; H2203-S2230 PolarHBondContact ND1-OG 3.13Å; H2203-S2230 VanDerWaalsContact ND1-OG 3.08Å; S2230-F2253 CarbonylContact O-C 3.53Å; S2230-F2253 WeakPolarHBondContact O-CA 3.44Å; S2230-C2254 PolarHBondContact N-O 3.05Å; S2230-C2254 PolarHBondContact O-N 2.91Å; S2230-C2254 WeakPolarHBondContact OG-CB 3.45Å; S2230-C2254 PolarHBondContact OG-O 2.97Å |
| 2231 | L | 90.9 | Very high | 82.7 | Confident | 19.2 Ų | 19.2 | 42 Ų | 42 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 116.8 | 175.5 | 169.7 | 64.3 | 0 | 0 | 0 | 108.7 | L2198 G2201 L2202 S2233 T2234 F2250 H2251 G2252 F2253 | L2198-L2231 HydrophobicContact CD2-CB 4.4Å; L2198-L2231 HydrophobicContact CD2-CD2 3.85Å; L2198-L2231 HydrophobicContact CD2-CG 3.86Å; G2201-L2231 CarbonylContact C-O 3.53Å; G2201-L2231 VanDerWaalsContact CA-O 3.24Å; G2201-L2231 WeakPolarHBondContact CA-O 3.21Å; L2202-L2231 HydrophobicContact CB-CB 4.19Å; L2202-L2231 HydrophobicContact CD2-CB 4.43Å; L2202-L2231 HydrophobicContact CD2-CD2 4.22Å; L2202-L2231 PolarHBondContact N-O 3.01Å; L2202-L2231 PolarHBondContact O-N 2.96Å; L2231-S2233 WeakPolarHBondContact CD1-O 3.08Å; L2231-T2234 HydrophobicContact CD2-CG2 3.79Å; L2231-F2250 HydrophobicContact CD1-CB 3.88Å; L2231-F2250 HydrophobicContact CD1-CD2 4.3Å; L2231-H2251 WeakPolarHBondContact CD1-O 3.42Å; L2231-G2252 WeakPolarHBondContact CA-O 3.29Å; L2231-F2253 HydrophobicContact CB-CD2 4.3Å; L2231-F2253 HydrophobicContact CD1-CB 3.89Å; L2231-F2253 HydrophobicContact CD1-CD2 4.34Å |
| 2232 | Q | 88.2 | Confident | 83.8 | Confident | 114.6 Ų | 114.6 | 41.9 Ų | 41.9 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -43.6 | -171.5 | -170.8 | -177.1 | 6.3 | 0 | 0 | 113.1 | G2201 H2251 G2252 L2273 | G2201-Q2232 WeakPolarHBondContact CA-O 3.25Å; G2201-Q2232 PolarHBondContact N-O 3.01Å; Q2232-H2251 WeakPolarHBondContact CB-O 3.31Å; Q2232-H2251 PolarHBondContact N-O 2.93Å; Q2232-H2251 VanDerWaalsContact N-O 3.14Å; Q2232-G2252 PolarHBondContact N-O 3.11Å; Q2232-G2252 VanDerWaalsContact N-O 3.14Å; Q2232-L2273 HydrophobicContact CG-CD1 4.2Å |
| 2233 | S | 90.4 | Very high | 84.8 | Confident | 43.8 Ų | 43.8 | 38.8 Ų | 38.8 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.2 | 172.5 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | L2231 F2250 H2251 | L2231-S2233 WeakPolarHBondContact CD1-O 3.08Å; S2233-F2250 VanDerWaalsContact O-CA 3.32Å; S2233-F2250 WeakPolarHBondContact O-CA 3.34Å; S2233-H2251 PolarHBondContact N-O 3.18Å; S2233-H2251 PolarHBondContact O-N 2.8Å; S2233-H2251 WeakPolarHBondContact OG-CB 3.49Å; S2233-H2251 PolarHBondContact OG-ND1 3.15Å |
| 2234 | T | 92.2 | Very high | 85.8 | Confident | 19.4 Ų | 19.4 | 41.8 Ų | 41.8 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 149 | 168.4 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | F2196 T2197 L2198 L2231 I2236 M2249 | F2196-T2234 HydrophobicContact CE1-CG2 4.08Å; T2197-T2234 CarbonylContact C-O 3.51Å; T2197-T2234 WeakPolarHBondContact CA-O 3.36Å; L2198-T2234 HydrophobicContact CB-CG2 3.59Å; L2198-T2234 HydrophobicContact CD2-CG2 3.91Å; L2198-T2234 HydrophobicContact CG-CG2 4.42Å; L2198-T2234 PolarHBondContact N-O 2.86Å; L2231-T2234 HydrophobicContact CD2-CG2 3.79Å; T2234-I2236 HydrophobicContact CG2-CD1 4.44Å; T2234-M2249 CarbonylContact C-O 3.51Å; T2234-M2249 VanDerWaalsContact CA-O 3.22Å; T2234-M2249 WeakPolarHBondContact CA-O 3.38Å; T2234-M2249 WeakPolarHBondContact CB-O 3.31Å; T2234-M2249 PolarHBondContact OG1-O 3.16Å; T2234-M2249 VanDerWaalsContact OG1-O 3.14Å |
| 2235 | R | 92.5 | Very high | 86.7 | Confident | 127.2 Ų | 127.2 | 43.4 Ų | 43.4 | 48% | 0.48 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.2 | 169.1 | 178.1 | 176.9 | -179.2 | -179.6 | 1.7 | 108 | Q2195 F2196 T2197 G2248 M2249 | Q2195-R2235 VanDerWaalsContact CD-NE 3.35Å; Q2195-R2235 HydrophobicContact CG-CG 4.37Å; Q2195-R2235 VanDerWaalsContact OE1-CZ 3.28Å; F2196-R2235 CarbonylContact O-C 3.51Å; F2196-R2235 WeakPolarHBondContact O-CA 3.39Å; T2197-R2235 HydrophobicContact CG2-CB 4.31Å; T2197-R2235 HydrophobicContact CG2-CG 4.03Å; R2235-G2248 CarbonylContact O-C 3.52Å; R2235-G2248 VanDerWaalsContact O-CA 3.28Å; R2235-G2248 WeakPolarHBondContact O-CA 3.45Å; R2235-M2249 HydrophobicContact CB-CE 4.47Å; R2235-M2249 HydrophobicContact CB-CG 3.89Å; R2235-M2249 HydrophobicContact CB-SD 4.26Å; R2235-M2249 HydrophobicContact CG-CE 4.46Å; R2235-M2249 PolarHBondContact N-O 3.13Å; R2235-M2249 PolarHBondContact O-N 3.02Å |
| 2236 | I | 92.4 | Very high | 87.1 | Confident | 33.6 Ų | 33.6 | 43.9 Ų | 43.9 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.1 | -179.5 | -57.1 | 169.8 | 0 | 0 | 0 | 107.8 | Q2195 F2196 T2234 V2238 R2247 Y2291 | Q2195-I2236 CarbonylContact C-O 3.57Å; Q2195-I2236 VanDerWaalsContact CA-O 3.26Å; Q2195-I2236 WeakPolarHBondContact CA-O 3.36Å; Q2195-I2236 WeakPolarHBondContact CG-O 3.27Å; F2196-I2236 HydrophobicContact CB-CB 4.19Å; F2196-I2236 HydrophobicContact CD1-CB 4.2Å; F2196-I2236 HydrophobicContact CD1-CD1 3.86Å; F2196-I2236 HydrophobicContact CD1-CG1 4.21Å; F2196-I2236 HydrophobicContact CD2-CB 4.37Å; F2196-I2236 HydrophobicContact CE1-CD1 4.19Å; F2196-I2236 PolarHBondContact N-O 3.08Å; F2196-I2236 PolarHBondContact O-N 2.8Å; T2234-I2236 HydrophobicContact CG2-CD1 4.44Å; I2236-V2238 HydrophobicContact CG2-CG2 4.01Å; I2236-R2247 CarbonylContact C-O 3.56Å; I2236-R2247 WeakPolarHBondContact CA-O 3.4Å; I2236-Y2291 HydrophobicContact CD1-CE1 4.37Å; I2236-Y2291 VanDerWaalsContact CD1-OH 3.28Å; I2236-Y2291 WeakPolarHBondContact CD1-OH 3.34Å; I2236-Y2291 HydrophobicContact CG1-CE1 4.23Å; I2236-Y2291 VanDerWaalsContact CG1-OH 3.31Å; I2236-Y2291 WeakPolarHBondContact CG1-OH 3.39Å; I2236-Y2291 VanDerWaalsContact CG2-OH 3.25Å; I2236-Y2291 WeakPolarHBondContact CG2-OH 3.34Å |
| 2237 | S | 90.4 | Very high | 87.4 | Confident | 47.8 Ų | 47.8 | 50.6 Ų | 50.6 | 33% | 0.334 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.6 | 175.6 | -63.5 | 0 | 0 | 0 | 0 | 109.1 | S2246 R2247 | S2237-S2246 CarbonylContact O-C 3.43Å; S2237-S2246 WeakPolarHBondContact O-CA 3.35Å; S2237-R2247 PolarHBondContact N-O 3.12Å; S2237-R2247 PolarHBondContact O-N 3.02Å |
| 2238 | V | 89.2 | Confident | 87.4 | Confident | 28.4 Ų | 28.4 | 50.1 Ų | 50.1 | 17% | 0.172 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.3 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | F2193 L2194 F2196 I2236 L2244 V2245 | F2193-V2238 CarbonylContact C-O 3.55Å; F2193-V2238 WeakPolarHBondContact CA-O 3.22Å; L2194-V2238 HydrophobicContact CB-CB 4.29Å; L2194-V2238 PolarHBondContact N-O 3.16Å; L2194-V2238 PolarHBondContact O-N 2.98Å; F2196-V2238 HydrophobicContact CE2-CG2 4.45Å; I2236-V2238 HydrophobicContact CG2-CG2 4.01Å; V2238-L2244 HydrophobicContact CG1-CD1 3.54Å; V2238-L2244 VanDerWaalsContact CG1-CD1 3.49Å; V2238-L2244 HydrophobicContact CG1-CG 4.32Å; V2238-V2245 CarbonylContact C-O 3.55Å; V2238-V2245 VanDerWaalsContact CA-O 3.28Å; V2238-V2245 WeakPolarHBondContact CA-O 3.36Å |
| 2239 | C | 84.6 | Confident | 87.6 | Confident | 27.8 Ų | 27.8 | 54 Ų | 54 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.2 | 170.7 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | N2192 F2193 V2245 | N2192-C2239 WeakPolarHBondContact O-CA 3.28Å; F2193-C2239 HydrophobicContact CD1-CB 3.93Å; F2193-C2239 HydrophobicContact CE1-CB 3.83Å; F2193-C2239 VanDerWaalsContact CE1-SG 3.52Å; F2193-C2239 WeakPolarHBondContact CE1-SG 3.4Å; C2239-V2245 PolarHBondContact N-O 3.07Å; C2239-V2245 PolarHBondContact O-N 3.12Å |
| 2240 | S | 78.6 | Confident | 87.6 | Confident | 51.6 Ų | 51.6 | 52 Ų | 52 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.6 | 173 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | N2192 | N2192-S2240 PolarHBondContact N-O 2.98Å; N2192-S2240 PolarHBondContact O-N 3.04Å |
| 2241 | C | 69.7 | Low | 87.6 | Confident | 41.2 Ų | 41.2 | 54.4 Ų | 54.4 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -146.9 | 45.8 | 176.6 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | Y2191 P2243 | Y2191-C2241 HydrophobicContact CD1-CB 3.64Å; Y2191-C2241 VanDerWaalsContact CD1-CB 3.44Å; Y2191-C2241 HydrophobicContact CE1-CB 3.79Å; Y2191-C2241 WeakPolarHBondContact CE1-SG 3.18Å; Y2191-C2241 HydrophobicContact CG-CB 4.33Å; Y2191-C2241 VanDerWaalsContact CZ-SG 3.6Å; C2241-P2243 PolarHBondContact N-O 2.93Å; C2241-P2243 WeakPolarHBondContact O-CD 3.35Å |
| 2242 | G | 74.7 | Confident | 87.4 | Confident | 71 Ų | 71 | 54 Ų | 54 | 73% | 0.732 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 107.1 | -85.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 2243 | P | 78.2 | Confident | 87.5 | Confident | 45.2 Ų | 45.2 | 51.4 Ų | 51.4 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -64.4 | 148.3 | 162.7 | 20.8 | -22.5 | 0 | 0 | 0 | 111.1 | C2241 V2245 S2295 E2296 | C2241-P2243 PolarHBondContact N-O 2.93Å; C2241-P2243 WeakPolarHBondContact O-CD 3.35Å; P2243-V2245 HydrophobicContact CB-CG2 4.47Å; P2243-S2295 CarbonylContact C-O 3.59Å; P2243-S2295 VanDerWaalsContact CA-O 3.27Å; P2243-S2295 WeakPolarHBondContact CA-O 3.29Å; P2243-E2296 HydrophobicContact CB-CB 4.12Å; P2243-E2296 HydrophobicContact CB-CG 4.14Å; P2243-E2296 HydrophobicContact CG-CG 4.04Å |
| 2244 | L | 86.7 | Confident | 87.5 | Confident | 82.8 Ų | 82.8 | 49.5 Ų | 49.5 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.2 | 168.4 | -178.9 | 74.6 | 0 | 0 | 0 | 108.3 | V2238 C2294 S2295 | V2238-L2244 HydrophobicContact CG1-CD1 3.54Å; V2238-L2244 VanDerWaalsContact CG1-CD1 3.49Å; V2238-L2244 HydrophobicContact CG1-CG 4.32Å; L2244-C2294 CarbonylContact O-C 3.51Å; L2244-C2294 WeakPolarHBondContact O-CA 3.44Å; L2244-S2295 PolarHBondContact N-O 2.96Å; L2244-S2295 PolarHBondContact O-N 3.05Å |
| 2245 | V | 89.4 | Confident | 87.4 | Confident | 59.2 Ų | 59.2 | 49.4 Ų | 49.4 | 36% | 0.359 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.4 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 109 | V2238 C2239 P2243 I2293 C2294 | V2238-V2245 CarbonylContact C-O 3.55Å; V2238-V2245 VanDerWaalsContact CA-O 3.28Å; V2238-V2245 WeakPolarHBondContact CA-O 3.36Å; C2239-V2245 PolarHBondContact N-O 3.07Å; C2239-V2245 PolarHBondContact O-N 3.12Å; P2243-V2245 HydrophobicContact CB-CG2 4.47Å; V2245-I2293 CarbonylContact C-O 3.51Å; V2245-I2293 WeakPolarHBondContact CA-O 3.36Å; V2245-C2294 HydrophobicContact CG2-CB 4.43Å |
| 2246 | S | 91.7 | Very high | 87.3 | Confident | 16.6 Ų | 16.6 | 43.8 Ų | 43.8 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | S2237 Y2291 D2292 I2293 | S2237-S2246 CarbonylContact O-C 3.43Å; S2237-S2246 WeakPolarHBondContact O-CA 3.35Å; S2246-Y2291 WeakPolarHBondContact OG-CE2 3.42Å; S2246-Y2291 PolarHBondContact OG-OH 3.04Å; S2246-Y2291 VanDerWaalsContact OG-OH 3.05Å; S2246-D2292 CarbonylContact O-C 3.56Å; S2246-D2292 WeakPolarHBondContact O-CA 3.32Å; S2246-I2293 PolarHBondContact N-O 3.27Å; S2246-I2293 PolarHBondContact O-N 3Å |
| 2247 | R | 93 | Very high | 87.1 | Confident | 142 Ų | 142 | 43 Ų | 43 | 54% | 0.536 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.8 | 174.5 | 176.9 | 169.3 | -171.9 | 112.7 | -3.1 | 109.9 | I2236 S2237 Y2291 D2292 | I2236-R2247 CarbonylContact C-O 3.56Å; I2236-R2247 WeakPolarHBondContact CA-O 3.4Å; S2237-R2247 PolarHBondContact N-O 3.12Å; S2237-R2247 PolarHBondContact O-N 3.02Å; R2247-Y2291 CarbonylContact C-O 3.55Å; R2247-Y2291 VanDerWaalsContact CA-O 3.31Å; R2247-Y2291 WeakPolarHBondContact CA-O 3.34Å; R2247-D2292 WeakPolarHBondContact CB-OD1 3.35Å; R2247-D2292 VanDerWaalsContact CD-OD1 3.22Å; R2247-D2292 WeakPolarHBondContact CD-OD1 3.32Å; R2247-D2292 WeakPolarHBondContact CG-OD1 3.36Å; R2247-D2292 IonicContact CZ-OD1 3.1Å; R2247-D2292 IonicContact CZ-OD2 3.29Å; R2247-D2292 IonicContact NE-OD1 3.16Å; R2247-D2292 IonicContact NH1-OD1 2.96Å; R2247-D2292 PolarHBondContact NH1-OD1 3.15Å; R2247-D2292 IonicContact NH1-OD2 3.42Å; R2247-D2292 PolarHBondContact NH1-OD2 2.92Å; R2247-D2292 VanDerWaalsContact NH1-OD2 3.11Å |
| 2248 | G | 91.3 | Very high | 86.8 | Confident | 2.2 Ų | 2.2 | 41.9 Ų | 41.9 | 2% | 0.023 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2235 T2290 Y2291 | R2235-G2248 CarbonylContact O-C 3.52Å; R2235-G2248 VanDerWaalsContact O-CA 3.28Å; R2235-G2248 WeakPolarHBondContact O-CA 3.45Å; G2248-T2290 CarbonylContact O-C 3.47Å; G2248-T2290 VanDerWaalsContact O-CA 3.22Å; G2248-T2290 WeakPolarHBondContact O-CA 3.36Å; G2248-Y2291 VanDerWaalsContact CA-CE1 3.45Å; G2248-Y2291 PolarHBondContact N-O 3.1Å; G2248-Y2291 PolarHBondContact O-N 3.03Å |
| 2249 | M | 93.4 | Very high | 86.3 | Confident | 82.8 Ų | 82.8 | 43.7 Ų | 43.7 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.2 | 168.4 | 0.6 | -176.8 | -49.1 | 0 | 0 | 108.4 | T2234 R2235 E2288 G2289 T2290 | T2234-M2249 CarbonylContact C-O 3.51Å; T2234-M2249 VanDerWaalsContact CA-O 3.22Å; T2234-M2249 WeakPolarHBondContact CA-O 3.38Å; T2234-M2249 WeakPolarHBondContact CB-O 3.31Å; T2234-M2249 PolarHBondContact OG1-O 3.16Å; T2234-M2249 VanDerWaalsContact OG1-O 3.14Å; R2235-M2249 HydrophobicContact CB-CE 4.47Å; R2235-M2249 HydrophobicContact CB-CG 3.89Å; R2235-M2249 HydrophobicContact CB-SD 4.26Å; R2235-M2249 HydrophobicContact CG-CE 4.46Å; R2235-M2249 PolarHBondContact N-O 3.13Å; R2235-M2249 PolarHBondContact O-N 3.02Å; M2249-E2288 HydrophobicContact CE-CG 4.39Å; M2249-E2288 WeakPolarHBondContact CE-OE1 3.43Å; M2249-G2289 CarbonylContact C-O 3.5Å; M2249-G2289 WeakPolarHBondContact CA-O 3.23Å; M2249-T2290 HydrophobicContact CB-CG2 4.25Å; M2249-T2290 HydrophobicContact CE-CG2 4.34Å; M2249-T2290 HydrophobicContact CG-CG2 4.05Å |
| 2250 | F | 92 | Very high | 85.8 | Confident | 16.6 Ų | 16.6 | 50.4 Ų | 50.4 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.5 | -178.2 | 65.8 | -89 | 0 | 0 | 0 | 110.6 | L2231 S2233 F2253 V2286 E2288 G2289 Y2291 W2316 | L2231-F2250 HydrophobicContact CD1-CB 3.88Å; L2231-F2250 HydrophobicContact CD1-CD2 4.3Å; S2233-F2250 VanDerWaalsContact O-CA 3.32Å; S2233-F2250 WeakPolarHBondContact O-CA 3.34Å; F2250-F2253 HydrophobicContact CD2-CB 3.9Å; F2250-F2253 HydrophobicContact CE2-CB 4.11Å; F2250-V2286 HydrophobicContact CE2-CB 4.31Å; F2250-V2286 HydrophobicContact CE2-CG1 3.68Å; F2250-V2286 HydrophobicContact CZ-CG1 4.24Å; F2250-E2288 CarbonylContact O-C 3.55Å; F2250-E2288 WeakPolarHBondContact O-CA 3.36Å; F2250-G2289 VanDerWaalsContact CD1-O 3.26Å; F2250-G2289 WeakPolarHBondContact CD1-O 3.2Å; F2250-G2289 VanDerWaalsContact CE1-CA 3.42Å; F2250-G2289 WeakPolarHBondContact CE1-O 3.33Å; F2250-G2289 VanDerWaalsContact CZ-CA 3.46Å; F2250-G2289 PolarHBondContact N-O 3.02Å; F2250-G2289 PolarHBondContact O-N 3.11Å; F2250-Y2291 HydrophobicContact CD1-CD1 4.41Å; F2250-W2316 AromaticContact CE1-CD1 3.92Å; F2250-W2316 AromaticContact CE1-NE1 3.23Å; F2250-W2316 VanDerWaalsContact CE1-NE1 3.28Å; F2250-W2316 AromaticContact CZ-CD1 3.99Å; F2250-W2316 AromaticContact CZ-CE2 3.95Å; F2250-W2316 HydrophobicContact CZ-CZ2 4.31Å; F2250-W2316 AromaticContact CZ-NE1 3.21Å; F2250-W2316 VanDerWaalsContact CZ-NE1 3.31Å |
| 2251 | H | 90.4 | Very high | 85.7 | Confident | 68.8 Ų | 68.8 | 48.9 Ų | 48.9 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.7 | -177.4 | -91.2 | 85.9 | 0 | 0 | 0 | 110.1 | L2231 Q2232 S2233 F2253 T2287 | L2231-H2251 WeakPolarHBondContact CD1-O 3.42Å; Q2232-H2251 WeakPolarHBondContact CB-O 3.31Å; Q2232-H2251 PolarHBondContact N-O 2.93Å; Q2232-H2251 VanDerWaalsContact N-O 3.14Å; S2233-H2251 PolarHBondContact N-O 3.18Å; S2233-H2251 PolarHBondContact O-N 2.8Å; S2233-H2251 WeakPolarHBondContact OG-CB 3.49Å; S2233-H2251 PolarHBondContact OG-ND1 3.15Å; H2251-F2253 PolarHBondContact O-N 3Å; H2251-T2287 WeakPolarHBondContact CA-O 3.4Å; H2251-T2287 PolarHBondContact CE1-O 3.38Å; H2251-T2287 PolarHBondContact ND1-O 2.89Å; H2251-T2287 VanDerWaalsContact ND1-O 3.08Å |
| 2252 | G | 86.9 | Confident | 85.8 | Confident | 11.2 Ų | 11.2 | 51.5 Ų | 51.5 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 48.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2231 Q2232 C2254 V2286 T2287 | L2231-G2252 WeakPolarHBondContact CA-O 3.29Å; Q2232-G2252 PolarHBondContact N-O 3.11Å; Q2232-G2252 VanDerWaalsContact N-O 3.14Å; G2252-C2254 PolarHBondContact O-N 3Å; G2252-V2286 CarbonylContact C-O 3.6Å; G2252-V2286 WeakPolarHBondContact CA-O 3.3Å; G2252-V2286 PolarHBondContact N-O 2.88Å; G2252-T2287 PolarHBondContact N-O 3.09Å |
| 2253 | F | 90.4 | Very high | 85.5 | Confident | 59.4 Ų | 59.4 | 51.2 Ų | 51.2 | 26% | 0.261 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 115.2 | 172.1 | 173.5 | -101.4 | 0 | 0 | 0 | 109 | F2229 S2230 L2231 F2250 H2251 V2255 W2284 L2285 V2286 | F2229-F2253 HydrophobicContact CD1-CZ 4.32Å; S2230-F2253 CarbonylContact O-C 3.53Å; S2230-F2253 WeakPolarHBondContact O-CA 3.44Å; L2231-F2253 HydrophobicContact CB-CD2 4.3Å; L2231-F2253 HydrophobicContact CD1-CB 3.89Å; L2231-F2253 HydrophobicContact CD1-CD2 4.34Å; F2250-F2253 HydrophobicContact CD2-CB 3.9Å; F2250-F2253 HydrophobicContact CE2-CB 4.11Å; H2251-F2253 PolarHBondContact O-N 3Å; F2253-V2255 HydrophobicContact CE1-CG2 3.69Å; F2253-V2255 HydrophobicContact CE2-CG2 4.38Å; F2253-V2255 HydrophobicContact CZ-CG2 3.59Å; F2253-W2284 HydrophobicContact CE1-CE3 4.42Å; F2253-W2284 HydrophobicContact CE1-CH2 4.44Å; F2253-W2284 AromaticContact CE1-CZ3 3.95Å; F2253-W2284 HydrophobicContact CE1-CZ3 4.21Å; F2253-L2285 CarbonylContact O-C 3.5Å; F2253-L2285 WeakPolarHBondContact O-CA 3.37Å; F2253-V2286 HydrophobicContact CB-CB 4.3Å; F2253-V2286 HydrophobicContact CD1-CB 4.44Å; F2253-V2286 HydrophobicContact CD1-CG2 4.3Å; F2253-V2286 PolarHBondContact N-O 3.18Å; F2253-V2286 PolarHBondContact O-N 2.9Å |
| 2254 | C | 89.8 | Confident | 85.2 | Confident | 4.4 Ų | 4.4 | 52.5 Ų | 52.5 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.7 | -176.6 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | F2229 S2230 G2252 F2278 W2284 L2285 | F2229-C2254 CarbonylContact C-O 3.55Å; F2229-C2254 WeakPolarHBondContact CA-O 3.3Å; S2230-C2254 PolarHBondContact N-O 3.05Å; S2230-C2254 PolarHBondContact O-N 2.91Å; S2230-C2254 WeakPolarHBondContact OG-CB 3.45Å; S2230-C2254 PolarHBondContact OG-O 2.97Å; G2252-C2254 PolarHBondContact O-N 3Å; C2254-F2278 HydrophobicContact CB-CE1 4.49Å; C2254-F2278 WeakPolarHBondContact SG-CE1 3.35Å; C2254-W2284 CarbonylContact C-O 3.51Å; C2254-W2284 WeakPolarHBondContact CA-O 3.35Å; C2254-W2284 PolarHBondContact SG-O 2.92Å; C2254-W2284 VanDerWaalsContact SG-O 3.35Å; C2254-L2285 HydrophobicContact CB-CB 4.27Å; C2254-L2285 HydrophobicContact CB-CD1 3.89Å |
| 2255 | V | 91.3 | Very high | 84.5 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.8 | 174 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | L2227 I2228 F2229 F2253 A2283 W2284 | L2227-V2255 HydrophobicContact CD1-CG1 3.79Å; L2227-V2255 HydrophobicContact CG-CG1 4.36Å; I2228-V2255 CarbonylContact O-C 3.53Å; I2228-V2255 VanDerWaalsContact O-CA 3.3Å; I2228-V2255 WeakPolarHBondContact O-CA 3.34Å; F2229-V2255 HydrophobicContact CD1-CB 4.33Å; F2229-V2255 HydrophobicContact CD1-CG1 3.93Å; F2229-V2255 HydrophobicContact CD1-CG2 3.53Å; F2229-V2255 HydrophobicContact CE1-CG1 3.83Å; F2229-V2255 HydrophobicContact CE1-CG2 3.97Å; F2229-V2255 HydrophobicContact CG-CG1 4.4Å; F2229-V2255 HydrophobicContact CG-CG2 4.37Å; F2229-V2255 HydrophobicContact CZ-CG1 4.29Å; F2253-V2255 HydrophobicContact CE1-CG2 3.69Å; F2253-V2255 HydrophobicContact CE2-CG2 4.38Å; F2253-V2255 HydrophobicContact CZ-CG2 3.59Å; V2255-A2283 CarbonylContact O-C 3.56Å; V2255-A2283 VanDerWaalsContact O-CA 3.32Å; V2255-A2283 WeakPolarHBondContact O-CA 3.45Å; V2255-W2284 HydrophobicContact CB-CB 4.47Å; V2255-W2284 HydrophobicContact CB-CE3 4.1Å; V2255-W2284 HydrophobicContact CG1-CE3 3.93Å; V2255-W2284 HydrophobicContact CG1-CZ3 4.19Å; V2255-W2284 HydrophobicContact CG2-CE3 3.99Å; V2255-W2284 HydrophobicContact CG2-CZ3 4.3Å; V2255-W2284 PolarHBondContact N-O 3.14Å; V2255-W2284 PolarHBondContact O-N 3.07Å |
| 2256 | Y | 89.4 | Confident | 83.6 | Confident | 9.4 Ų | 9.4 | 54.8 Ų | 54.8 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157.5 | -176 | 64.1 | -87.1 | 0 | 0 | 0 | 113.3 | I2228 W2268 P2270 V2272 L2273 F2278 M2281 N2282 | I2228-Y2256 HydrophobicContact CB-CD1 4.34Å; I2228-Y2256 HydrophobicContact CB-CD2 4.33Å; I2228-Y2256 HydrophobicContact CB-CE1 4Å; I2228-Y2256 HydrophobicContact CB-CE2 3.9Å; I2228-Y2256 HydrophobicContact CB-CG 4.39Å; I2228-Y2256 HydrophobicContact CD1-CE2 3.79Å; I2228-Y2256 WeakPolarHBondContact CD1-OH 3.49Å; I2228-Y2256 HydrophobicContact CG1-CD2 4.34Å; I2228-Y2256 HydrophobicContact CG1-CE2 4.16Å; I2228-Y2256 HydrophobicContact CG2-CE1 3.83Å; I2228-Y2256 HydrophobicContact CG2-CE2 4.32Å; I2228-Y2256 WeakPolarHBondContact CG2-OH 3.33Å; I2228-Y2256 PolarHBondContact N-O 2.98Å; I2228-Y2256 PolarHBondContact O-N 3.07Å; Y2256-W2268 PolarHBondContact OH-O 2.98Å; Y2256-W2268 VanDerWaalsContact OH-O 3.12Å; Y2256-P2270 WeakPolarHBondContact OH-CG 3.39Å; Y2256-V2272 WeakPolarHBondContact OH-CA 2.89Å; Y2256-V2272 WeakPolarHBondContact OH-CG2 3.27Å; Y2256-L2273 HydrophobicContact CE1-CD1 4.3Å; Y2256-F2278 HydrophobicContact CD1-CE1 4.25Å; Y2256-F2278 HydrophobicContact CE1-CE1 4.32Å; Y2256-M2281 HydrophobicContact CD2-CE 3.74Å; Y2256-M2281 HydrophobicContact CD2-SD 4.1Å; Y2256-M2281 HydrophobicContact CE2-CE 4.03Å; Y2256-M2281 HydrophobicContact CE2-SD 4.3Å; Y2256-N2282 CarbonylContact C-O 3.53Å; Y2256-N2282 VanDerWaalsContact CA-O 3.27Å; Y2256-N2282 WeakPolarHBondContact CA-O 3.26Å; Y2256-N2282 VanDerWaalsContact CB-O 3.3Å; Y2256-N2282 WeakPolarHBondContact CB-O 3.3Å |
| 2257 | F | 88.1 | Confident | 82.5 | Confident | 17.4 Ų | 17.4 | 59 Ų | 59 | 8% | 0.076 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.1 | 173.8 | -69.2 | -87.2 | 0 | 0 | 0 | 111.3 | A2226 L2227 M2281 N2282 I2329 L2332 L2336 | A2226-F2257 WeakPolarHBondContact O-CA 3.24Å; L2227-F2257 HydrophobicContact CB-CD1 4.41Å; L2227-F2257 HydrophobicContact CB-CE1 4.36Å; L2227-F2257 HydrophobicContact CD1-CD1 4.13Å; L2227-F2257 HydrophobicContact CD1-CD2 4.39Å; L2227-F2257 HydrophobicContact CD1-CE1 3.94Å; L2227-F2257 HydrophobicContact CD1-CE2 4.2Å; L2227-F2257 HydrophobicContact CD1-CG 4.37Å; L2227-F2257 HydrophobicContact CD1-CZ 3.98Å; F2257-M2281 WeakPolarHBondContact O-CE 3.47Å; F2257-N2282 HydrophobicContact CB-CB 4.39Å; F2257-N2282 HydrophobicContact CD2-CB 3.95Å; F2257-N2282 PolarHBondContact N-O 2.96Å; F2257-I2329 HydrophobicContact CD2-CD1 4.24Å; F2257-I2329 HydrophobicContact CE2-CD1 4.22Å; F2257-L2332 HydrophobicContact CB-CD1 3.83Å; F2257-L2332 HydrophobicContact CB-CD2 4.34Å; F2257-L2332 HydrophobicContact CB-CG 4.48Å; F2257-L2332 HydrophobicContact CD1-CB 3.96Å; F2257-L2332 HydrophobicContact CD1-CD1 4.43Å; F2257-L2332 HydrophobicContact CD1-CD2 4.21Å; F2257-L2332 HydrophobicContact CD1-CG 4.46Å; F2257-L2332 HydrophobicContact CD2-CB 4.29Å; F2257-L2332 HydrophobicContact CD2-CD1 4.37Å; F2257-L2332 HydrophobicContact CE1-CB 4.05Å; F2257-L2332 HydrophobicContact CE2-CB 4.37Å; F2257-L2332 HydrophobicContact CG-CB 4.1Å; F2257-L2332 HydrophobicContact CG-CD1 4.02Å; F2257-L2332 HydrophobicContact CG-CD2 4.39Å; F2257-L2332 HydrophobicContact CG-CG 4.42Å; F2257-L2332 HydrophobicContact CZ-CB 4.26Å; F2257-L2336 HydrophobicContact CE1-CB 4.34Å; F2257-L2336 HydrophobicContact CE1-CD2 4.36Å; F2257-L2336 HydrophobicContact CZ-CB 4.44Å; F2257-L2336 HydrophobicContact CZ-CD2 4.15Å |
| 2258 | L | 84.8 | Confident | 81.6 | Confident | 25.2 Ų | 25.2 | 52.4 Ų | 52.4 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.9 | 171.1 | -174 | 63.8 | 0 | 0 | 0 | 109.3 | C2225 A2226 I2228 Q2260 F2261 W2268 K2271 V2272 M2281 | C2225-L2258 CarbonylContact C-O 3.55Å; C2225-L2258 VanDerWaalsContact CA-O 3.25Å; C2225-L2258 WeakPolarHBondContact CA-O 3.34Å; C2225-L2258 VanDerWaalsContact CB-O 3.26Å; C2225-L2258 WeakPolarHBondContact CB-O 3.4Å; A2226-L2258 PolarHBondContact N-O 2.88Å; A2226-L2258 PolarHBondContact O-N 2.97Å; I2228-L2258 HydrophobicContact CD1-CB 4.01Å; I2228-L2258 HydrophobicContact CD1-CD2 3.98Å; I2228-L2258 HydrophobicContact CG1-CB 3.98Å; L2258-Q2260 WeakPolarHBondContact CG-O 3.3Å; L2258-F2261 HydrophobicContact CD2-CD2 4.28Å; L2258-W2268 HydrophobicContact CD2-CB 4.13Å; L2258-K2271 HydrophobicContact CD1-CD 4.32Å; L2258-V2272 HydrophobicContact CD2-CG2 4.18Å; L2258-M2281 HydrophobicContact CD1-CE 4.04Å |
| 2259 | E | 77 | Confident | 80.4 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -84.4 | 21.6 | 179.9 | -62.3 | -178.7 | -164 | 0 | 0 | 112.8 | G2224 N2282 N2326 K2328 L2332 | G2224-E2259 CarbonylContact O-C 3.53Å; E2259-N2282 PolarHBondContact OE1-ND2 3.18Å; E2259-N2326 PolarHBondContact OE1-ND2 3.33Å; E2259-K2328 VanDerWaalsContact CD-CD 3.47Å; E2259-K2328 VanDerWaalsContact OE1-CD 3.26Å; E2259-K2328 WeakPolarHBondContact OE1-CD 3.24Å; E2259-K2328 IonicContact OE1-NZ 3.28Å; E2259-K2328 VanDerWaalsContact OE2-CD 3.23Å; E2259-K2328 WeakPolarHBondContact OE2-CD 3.19Å; E2259-K2328 WeakPolarHBondContact OE2-CE 3.41Å; E2259-K2328 IonicContact OE2-NZ 3.21Å; E2259-K2328 PolarHBondContact OE2-NZ 2.92Å; E2259-L2332 HydrophobicContact CG-CD1 4.27Å; E2259-L2332 HydrophobicContact CG-CD2 4.4Å |
| 2260 | Q | 75.7 | Confident | 79 | Confident | 167.6 Ų | 167.6 | 53.4 Ų | 53.4 | 78% | 0.783 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -142 | 72.5 | 177.9 | -64.6 | 179.9 | -8.8 | 0 | 0 | 109.1 | G2224 L2258 E2262 | G2224-Q2260 PolarHBondContact O-N 3.13Å; G2224-Q2260 VanDerWaalsContact O-N 3.16Å; L2258-Q2260 WeakPolarHBondContact CG-O 3.3Å; Q2260-E2262 PolarHBondContact O-N 3.24Å |
| 2261 | F | 74.9 | Confident | 77.5 | Confident | 20.8 Ų | 20.8 | 59.3 Ų | 59.3 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -76.9 | 128.6 | -177.5 | 179 | -102.1 | 0 | 0 | 0 | 111.7 | Y2125 C2205 P2207 F2223 G2224 A2226 L2258 W2268 | Y2125-F2261 HydrophobicContact CD2-CZ 4.49Å; Y2125-F2261 HydrophobicContact CE2-CE1 4.28Å; Y2125-F2261 HydrophobicContact CE2-CE2 4.39Å; Y2125-F2261 AromaticContact CE2-CZ 3.77Å; Y2125-F2261 HydrophobicContact CE2-CZ 3.77Å; C2205-F2261 VanDerWaalsContact SG-CE2 3.54Å; C2205-F2261 WeakPolarHBondContact SG-CE2 3.27Å; P2207-F2261 HydrophobicContact CB-CD1 4.34Å; P2207-F2261 HydrophobicContact CB-CE1 4.18Å; P2207-F2261 HydrophobicContact CB-CZ 4.38Å; P2207-F2261 HydrophobicContact CG-CE1 3.89Å; P2207-F2261 HydrophobicContact CG-CZ 4.21Å; F2223-F2261 HydrophobicContact CB-CD1 3.98Å; F2223-F2261 VanDerWaalsContact O-O 3.07Å; G2224-F2261 PolarHBondContact O-N 3.35Å; A2226-F2261 HydrophobicContact CB-CB 4.21Å; A2226-F2261 HydrophobicContact CB-CD1 4.29Å; A2226-F2261 HydrophobicContact CB-CD2 3.4Å; A2226-F2261 VanDerWaalsContact CB-CD2 3.44Å; A2226-F2261 HydrophobicContact CB-CE2 3.95Å; A2226-F2261 HydrophobicContact CB-CG 3.82Å; A2226-F2261 HydrophobicContact CB-CZ 4.4Å; L2258-F2261 HydrophobicContact CD2-CD2 4.28Å; F2261-W2268 HydrophobicContact CD2-CB 4.37Å; F2261-W2268 HydrophobicContact CD2-CG 4.47Å; F2261-W2268 HydrophobicContact CE2-CB 3.88Å; F2261-W2268 AromaticContact CE2-CD1 3.59Å; F2261-W2268 VanDerWaalsContact CE2-CD1 3.47Å; F2261-W2268 AromaticContact CE2-CD2 3.92Å; F2261-W2268 HydrophobicContact CE2-CD2 4.05Å; F2261-W2268 AromaticContact CE2-CG 3.57Å; F2261-W2268 HydrophobicContact CE2-CG 3.83Å; F2261-W2268 VanDerWaalsContact CE2-CG 3.49Å; F2261-W2268 HydrophobicContact CE2-CZ2 4.15Å; F2261-W2268 AromaticContact CE2-NE1 3.75Å; F2261-W2268 AromaticContact CZ-CD1 3.57Å; F2261-W2268 HydrophobicContact CZ-CD2 4.3Å; F2261-W2268 AromaticContact CZ-CG 3.9Å; F2261-W2268 HydrophobicContact CZ-CG 4.09Å; F2261-W2268 HydrophobicContact CZ-CZ2 4.36Å; F2261-W2268 AromaticContact CZ-NE1 3.74Å | ||
| 2262 | E | 73 | Confident | 75.9 | Confident | 95.4 Ų | 95.4 | 59 Ų | 59 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | trans | -115.4 | 141.9 | 167.9 | -69.6 | -170.1 | -131 | 0 | 0 | 109.6 | Q2260 D2264 K2267 W2268 | Q2260-E2262 PolarHBondContact O-N 3.24Å; E2262-D2264 PolarHBondContact O-N 3.13Å; E2262-D2264 VanDerWaalsContact O-N 3.15Å; E2262-K2267 HydrophobicContact CB-CD 4.17Å; E2262-K2267 HydrophobicContact CG-CD 4.26Å; E2262-K2267 VanDerWaalsContact OE1-CD 3.25Å; E2262-K2267 WeakPolarHBondContact OE1-CD 3.35Å; E2262-K2267 IonicContact OE1-NZ 3.2Å; E2262-K2267 PolarHBondContact OE1-NZ 2.86Å; E2262-K2267 WeakPolarHBondContact OE2-CD 3.36Å; E2262-K2267 WeakPolarHBondContact OE2-CE 3.36Å; E2262-K2267 IonicContact OE2-NZ 3.45Å; E2262-K2267 PolarHBondContact OE2-NZ 3.11Å; E2262-W2268 VanDerWaalsContact O-CD1 3.25Å; E2262-W2268 PolarHBondContact O-NE1 3.16Å | ||
| 2263 | S | 68.5 | Low | 74.6 | Confident | 65.2 Ų | 65.2 | 62 Ų | 62 | 46% | 0.456 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -69.2 | -10.9 | -174.1 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | D2221 F2223 | D2221-S2263 PolarHBondContact O-OG 3.35Å; F2223-S2263 WeakPolarHBondContact CD2-OG 3.46Å |
| 2264 | D | 72.4 | Confident | 73.1 | Confident | 72.4 Ų | 72.4 | 64.4 Ų | 64.4 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | trans | -79.2 | 118.5 | -176.1 | -102.7 | -22.3 | 0 | 0 | 0 | 111.5 | E2262 E2266 K2267 W2268 | E2262-D2264 PolarHBondContact O-N 3.13Å; E2262-D2264 VanDerWaalsContact O-N 3.15Å; D2264-E2266 VanDerWaalsContact C-N 3.25Å; D2264-E2266 PolarHBondContact O-N 3.23Å; D2264-E2266 PolarHBondContact OD1-N 2.76Å; D2264-E2266 VanDerWaalsContact OD1-N 3.09Å; D2264-K2267 HydrophobicContact CB-CB 4.4Å; D2264-K2267 HydrophobicContact CB-CD 3.99Å; D2264-K2267 HydrophobicContact CB-CG 4.05Å; D2264-K2267 WeakPolarHBondContact O-CB 3.46Å; D2264-K2267 PolarHBondContact O-N 3.04Å; D2264-K2267 VanDerWaalsContact O-N 3.11Å; D2264-K2267 VanDerWaalsContact OD2-CE 3.3Å; D2264-K2267 WeakPolarHBondContact OD2-CE 3.36Å; D2264-K2267 IonicContact OD2-NZ 3.72Å; D2264-K2267 PolarHBondContact OD2-NZ 3.01Å; D2264-W2268 PolarHBondContact O-N 2.99Å; D2264-W2268 PolarHBondContact O-NE1 3.2Å | ||
| 2265 | P | 70.5 | Confident | 71.5 | Confident | 36.8 Ų | 36.8 | 68.6 Ų | 68.6 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -29.9 | -178.2 | 24.9 | -33.9 | 0 | 0 | 0 | 113.5 | F2082 V2123 K2267 W2268 M2269 | F2082-P2265 HydrophobicContact CE1-CB 4.25Å; F2082-P2265 HydrophobicContact CZ-CB 3.97Å; F2082-P2265 HydrophobicContact CZ-CG 4.26Å; V2123-P2265 HydrophobicContact CG1-CB 4.09Å; P2265-K2267 PolarHBondContact O-N 3.07Å; P2265-K2267 VanDerWaalsContact O-N 3.12Å; P2265-W2268 HydrophobicContact CB-CD2 4.35Å; P2265-W2268 HydrophobicContact CB-CE3 4.05Å; P2265-W2268 HydrophobicContact CB-CH2 4.26Å; P2265-W2268 HydrophobicContact CB-CZ2 4.25Å; P2265-W2268 HydrophobicContact CB-CZ3 4.02Å; P2265-W2268 WeakPolarHBondContact O-CB 3.21Å; P2265-W2268 PolarHBondContact O-N 3.36Å; P2265-M2269 HydrophobicContact CB-CG 4.43Å; P2265-M2269 HydrophobicContact CB-SD 3.96Å; P2265-M2269 VanDerWaalsContact O-CB 3.24Å; P2265-M2269 WeakPolarHBondContact O-CB 3.36Å; P2265-M2269 VanDerWaalsContact O-CG 3.31Å; P2265-M2269 WeakPolarHBondContact O-CG 3.37Å; P2265-M2269 PolarHBondContact O-N 3.19Å |
| 2266 | E | 70.9 | Confident | 69.8 | Low | 153.2 Ų | 153.2 | 74.5 Ų | 74.5 | 72% | 0.716 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.4 | -21.8 | 178 | -63.5 | -170.5 | -172.2 | 0 | 0 | 113.1 | D2264 P2270 | D2264-E2266 VanDerWaalsContact C-N 3.25Å; D2264-E2266 PolarHBondContact O-N 3.23Å; D2264-E2266 PolarHBondContact OD1-N 2.76Å; D2264-E2266 VanDerWaalsContact OD1-N 3.09Å; E2266-P2270 WeakPolarHBondContact O-CD 3.49Å; E2266-P2270 VanDerWaalsContact O-CG 3.32Å; E2266-P2270 WeakPolarHBondContact O-CG 3.34Å |
| 2267 | K | 69.5 | Low | 68.5 | Low | 104.4 Ų | 104.4 | 78.6 Ų | 78.6 | 45% | 0.454 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -90.2 | -23.8 | 179.5 | -62.5 | -178 | -176.1 | 165.3 | 0 | 113.4 | E2262 D2264 P2265 M2269 K2271 | E2262-K2267 HydrophobicContact CB-CD 4.17Å; E2262-K2267 HydrophobicContact CG-CD 4.26Å; E2262-K2267 VanDerWaalsContact OE1-CD 3.25Å; E2262-K2267 WeakPolarHBondContact OE1-CD 3.35Å; E2262-K2267 IonicContact OE1-NZ 3.2Å; E2262-K2267 PolarHBondContact OE1-NZ 2.86Å; E2262-K2267 WeakPolarHBondContact OE2-CD 3.36Å; E2262-K2267 WeakPolarHBondContact OE2-CE 3.36Å; E2262-K2267 IonicContact OE2-NZ 3.45Å; E2262-K2267 PolarHBondContact OE2-NZ 3.11Å; D2264-K2267 HydrophobicContact CB-CB 4.4Å; D2264-K2267 HydrophobicContact CB-CD 3.99Å; D2264-K2267 HydrophobicContact CB-CG 4.05Å; D2264-K2267 WeakPolarHBondContact O-CB 3.46Å; D2264-K2267 PolarHBondContact O-N 3.04Å; D2264-K2267 VanDerWaalsContact O-N 3.11Å; D2264-K2267 VanDerWaalsContact OD2-CE 3.3Å; D2264-K2267 WeakPolarHBondContact OD2-CE 3.36Å; D2264-K2267 IonicContact OD2-NZ 3.72Å; D2264-K2267 PolarHBondContact OD2-NZ 3.01Å; P2265-K2267 PolarHBondContact O-N 3.07Å; P2265-K2267 VanDerWaalsContact O-N 3.12Å; K2267-M2269 PolarHBondContact O-N 3.37Å; K2267-K2271 WeakPolarHBondContact O-CD 3.35Å; K2267-K2271 WeakPolarHBondContact O-CE 3.5Å; K2267-K2271 WeakPolarHBondContact O-CG 3.23Å |
| 2268 | W | 73.1 | Confident | 67.5 | Low | 3.6 Ų | 3.6 | 79.3 Ų | 79.3 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -91.1 | -18.6 | 177.2 | 26.8 | -70.3 | 0 | 0 | 0 | 113.2 | F2082 V2123 Y2125 H2203 C2205 I2228 Y2256 L2258 F2261 E2262 D2264 P2265 P2270 K2271 V2272 | F2082-W2268 HydrophobicContact CZ-CH2 4.22Å; F2082-W2268 HydrophobicContact CZ-CZ2 4Å; V2123-W2268 HydrophobicContact CG1-CE3 4.21Å; V2123-W2268 HydrophobicContact CG1-CH2 3.85Å; V2123-W2268 HydrophobicContact CG1-CZ2 4.29Å; V2123-W2268 HydrophobicContact CG1-CZ3 4.08Å; Y2125-W2268 AromaticContact CD2-CH2 3.65Å; Y2125-W2268 HydrophobicContact CD2-CH2 4.04Å; Y2125-W2268 AromaticContact CD2-CZ2 3.77Å; Y2125-W2268 HydrophobicContact CD2-CZ2 4.02Å; Y2125-W2268 HydrophobicContact CE2-CZ2 4.44Å; Y2125-W2268 HydrophobicContact CG-CH2 4.12Å; Y2125-W2268 HydrophobicContact CG-CZ2 4.1Å; H2203-W2268 HydrophobicContact CB-CZ3 4Å; C2205-W2268 HydrophobicContact CB-CD2 4Å; C2205-W2268 HydrophobicContact CB-CE3 3.89Å; C2205-W2268 HydrophobicContact CB-CH2 3.58Å; C2205-W2268 HydrophobicContact CB-CZ2 3.86Å; C2205-W2268 HydrophobicContact CB-CZ3 3.67Å; C2205-W2268 VanDerWaalsContact CB-CZ3 3.43Å; I2228-W2268 HydrophobicContact CD1-CB 4Å; I2228-W2268 HydrophobicContact CD1-CD2 4.46Å; I2228-W2268 HydrophobicContact CD1-CE3 4.25Å; I2228-W2268 HydrophobicContact CD1-CG 4.21Å; I2228-W2268 HydrophobicContact CG2-CE3 4.39Å; Y2256-W2268 PolarHBondContact OH-O 2.98Å; Y2256-W2268 VanDerWaalsContact OH-O 3.12Å; L2258-W2268 HydrophobicContact CD2-CB 4.13Å; F2261-W2268 HydrophobicContact CD2-CB 4.37Å; F2261-W2268 HydrophobicContact CD2-CG 4.47Å; F2261-W2268 HydrophobicContact CE2-CB 3.88Å; F2261-W2268 AromaticContact CE2-CD1 3.59Å; F2261-W2268 VanDerWaalsContact CE2-CD1 3.47Å; F2261-W2268 AromaticContact CE2-CD2 3.92Å; F2261-W2268 HydrophobicContact CE2-CD2 4.05Å; F2261-W2268 AromaticContact CE2-CG 3.57Å; F2261-W2268 HydrophobicContact CE2-CG 3.83Å; F2261-W2268 VanDerWaalsContact CE2-CG 3.49Å; F2261-W2268 HydrophobicContact CE2-CZ2 4.15Å; F2261-W2268 AromaticContact CE2-NE1 3.75Å; F2261-W2268 AromaticContact CZ-CD1 3.57Å; F2261-W2268 HydrophobicContact CZ-CD2 4.3Å; F2261-W2268 AromaticContact CZ-CG 3.9Å; F2261-W2268 HydrophobicContact CZ-CG 4.09Å; F2261-W2268 HydrophobicContact CZ-CZ2 4.36Å; F2261-W2268 AromaticContact CZ-NE1 3.74Å; E2262-W2268 VanDerWaalsContact O-CD1 3.25Å; E2262-W2268 PolarHBondContact O-NE1 3.16Å; D2264-W2268 PolarHBondContact O-N 2.99Å; D2264-W2268 PolarHBondContact O-NE1 3.2Å; P2265-W2268 HydrophobicContact CB-CD2 4.35Å; P2265-W2268 HydrophobicContact CB-CE3 4.05Å; P2265-W2268 HydrophobicContact CB-CH2 4.26Å; P2265-W2268 HydrophobicContact CB-CZ2 4.25Å; P2265-W2268 HydrophobicContact CB-CZ3 4.02Å; P2265-W2268 WeakPolarHBondContact O-CB 3.21Å; P2265-W2268 PolarHBondContact O-N 3.36Å; W2268-P2270 VanDerWaalsContact O-CD 3.25Å; W2268-P2270 WeakPolarHBondContact O-CD 3.34Å; W2268-K2271 WeakPolarHBondContact O-CB 3.46Å; W2268-K2271 PolarHBondContact O-N 3.36Å; W2268-K2271 VanDerWaalsContact O-N 3.09Å; W2268-V2272 HydrophobicContact CE3-CB 4.39Å; W2268-V2272 HydrophobicContact CE3-CG2 3.81Å; W2268-V2272 HydrophobicContact CZ3-CG2 4.17Å; W2268-V2272 WeakPolarHBondContact O-CG2 3.32Å; W2268-V2272 PolarHBondContact O-N 2.93Å |
| 2269 | M | 67 | Low | 66.3 | Low | 47.8 Ų | 47.8 | 80.3 Ų | 80.3 | 24% | 0.235 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -75.9 | 75.3 | 175.1 | -68.6 | 179.6 | 63.5 | 0 | 0 | 111.3 | F2082 Q2121 V2123 H2203 P2265 K2267 K2271 V2272 L2273 | F2082-M2269 HydrophobicContact CE2-SD 4.46Å; F2082-M2269 HydrophobicContact CZ-SD 4.34Å; Q2121-M2269 HydrophobicContact CG-CE 3.72Å; Q2121-M2269 PolarHBondContact NE2-SD 3.49Å; Q2121-M2269 VanDerWaalsContact NE2-SD 3.37Å; V2123-M2269 HydrophobicContact CB-CE 4.41Å; V2123-M2269 HydrophobicContact CB-SD 4.38Å; V2123-M2269 HydrophobicContact CG1-CE 4.18Å; V2123-M2269 HydrophobicContact CG1-CG 4.42Å; V2123-M2269 HydrophobicContact CG1-SD 4.13Å; V2123-M2269 HydrophobicContact CG2-CE 3.84Å; V2123-M2269 HydrophobicContact CG2-CG 4.49Å; V2123-M2269 HydrophobicContact CG2-SD 3.82Å; V2123-M2269 WeakPolarHBondContact CG2-SD 3.43Å; H2203-M2269 HydrophobicContact CB-CG 4.39Å; P2265-M2269 HydrophobicContact CB-CG 4.43Å; P2265-M2269 HydrophobicContact CB-SD 3.96Å; P2265-M2269 VanDerWaalsContact O-CB 3.24Å; P2265-M2269 WeakPolarHBondContact O-CB 3.36Å; P2265-M2269 VanDerWaalsContact O-CG 3.31Å; P2265-M2269 WeakPolarHBondContact O-CG 3.37Å; P2265-M2269 PolarHBondContact O-N 3.19Å; K2267-M2269 PolarHBondContact O-N 3.37Å; M2269-K2271 VanDerWaalsContact C-N 3.29Å; M2269-K2271 PolarHBondContact O-N 3.05Å; M2269-V2272 WeakPolarHBondContact O-CB 3.44Å; M2269-V2272 PolarHBondContact O-N 3.02Å; M2269-L2273 HydrophobicContact CB-CD1 4.46Å; M2269-L2273 HydrophobicContact CE-CD1 4.48Å; M2269-L2273 VanDerWaalsContact O-CG 3.28Å; M2269-L2273 WeakPolarHBondContact O-CG 3.41Å; M2269-L2273 PolarHBondContact O-N 2.96Å |
| 2270 | P | 63.1 | Low | 65.9 | Low | 58.8 Ų | 58.8 | 83.8 Ų | 83.8 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | trans | -65.3 | 74.7 | 171.2 | -1 | 7.4 | 0 | 0 | 0 | 110.4 | Y2256 E2266 W2268 V2272 L2273 E2274 | Y2256-P2270 WeakPolarHBondContact OH-CG 3.39Å; E2266-P2270 WeakPolarHBondContact O-CD 3.49Å; E2266-P2270 VanDerWaalsContact O-CG 3.32Å; E2266-P2270 WeakPolarHBondContact O-CG 3.34Å; W2268-P2270 VanDerWaalsContact O-CD 3.25Å; W2268-P2270 WeakPolarHBondContact O-CD 3.34Å; P2270-V2272 PolarHBondContact O-N 3.18Å; P2270-V2272 VanDerWaalsContact O-N 3.12Å; P2270-L2273 HydrophobicContact CB-CD1 3.89Å; P2270-L2273 HydrophobicContact CB-CD2 4.37Å; P2270-L2273 HydrophobicContact CB-CG 3.59Å; P2270-L2273 HydrophobicContact CG-CD1 3.67Å; P2270-L2273 HydrophobicContact CG-CG 3.99Å; P2270-L2273 PolarHBondContact O-N 2.95Å; P2270-E2274 PolarHBondContact O-N 3.17Å; P2270-E2274 VanDerWaalsContact O-N 3.15Å | ||
| 2271 | K | 60.4 | Low | 65.8 | Low | 140.6 Ų | 140.6 | 78.2 Ų | 78.2 | 61% | 0.611 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -67.3 | 20.2 | 177.8 | -65.1 | -179.3 | -178.2 | 176.6 | 0 | 111.5 | L2258 K2267 W2268 M2269 K2276 | L2258-K2271 HydrophobicContact CD1-CD 4.32Å; K2267-K2271 WeakPolarHBondContact O-CD 3.35Å; K2267-K2271 WeakPolarHBondContact O-CE 3.5Å; K2267-K2271 WeakPolarHBondContact O-CG 3.23Å; W2268-K2271 WeakPolarHBondContact O-CB 3.46Å; W2268-K2271 PolarHBondContact O-N 3.36Å; W2268-K2271 VanDerWaalsContact O-N 3.09Å; M2269-K2271 VanDerWaalsContact C-N 3.29Å; M2269-K2271 PolarHBondContact O-N 3.05Å; K2271-K2276 PolarHBondContact O-NZ 2.97Å |
| 2272 | V | 57.4 | Low | 66.3 | Low | 63 Ų | 63 | 77.4 Ų | 77.4 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -114.2 | 74.7 | 179.6 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | H2203 I2228 Y2256 L2258 W2268 M2269 P2270 E2274 | H2203-V2272 HydrophobicContact CB-CG1 4.12Å; H2203-V2272 PolarHBondContact CE1-O 3.16Å; H2203-V2272 VanDerWaalsContact ND1-CG1 3.33Å; H2203-V2272 WeakPolarHBondContact ND1-CG1 3.35Å; I2228-V2272 HydrophobicContact CD1-CG2 4.24Å; I2228-V2272 HydrophobicContact CG1-CG2 4.36Å; I2228-V2272 HydrophobicContact CG2-CG1 4.09Å; I2228-V2272 HydrophobicContact CG2-CG2 4.23Å; Y2256-V2272 WeakPolarHBondContact OH-CA 2.89Å; Y2256-V2272 WeakPolarHBondContact OH-CG2 3.27Å; L2258-V2272 HydrophobicContact CD2-CG2 4.18Å; W2268-V2272 HydrophobicContact CE3-CB 4.39Å; W2268-V2272 HydrophobicContact CE3-CG2 3.81Å; W2268-V2272 HydrophobicContact CZ3-CG2 4.17Å; W2268-V2272 WeakPolarHBondContact O-CG2 3.32Å; W2268-V2272 PolarHBondContact O-N 2.93Å; M2269-V2272 WeakPolarHBondContact O-CB 3.44Å; M2269-V2272 PolarHBondContact O-N 3.02Å; P2270-V2272 PolarHBondContact O-N 3.18Å; P2270-V2272 VanDerWaalsContact O-N 3.12Å; V2272-E2274 HydrophobicContact CG1-CB 3.93Å; V2272-E2274 HydrophobicContact CG1-CG 3.94Å; V2272-E2274 PolarHBondContact O-N 2.82Å |
| 2273 | L | 59.5 | Low | 67 | Low | 72.6 Ų | 72.6 | 73 Ų | 73 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -74.8 | 31.7 | 173.8 | -73.7 | 159.8 | 0 | 0 | 0 | 111.7 | Q2121 H2203 Q2232 Y2256 M2269 P2270 P2275 D2277 F2278 | Q2121-L2273 HydrophobicContact CG-CD2 4.16Å; H2203-L2273 WeakPolarHBondContact NE2-CD2 3.44Å; Q2232-L2273 HydrophobicContact CG-CD1 4.2Å; Y2256-L2273 HydrophobicContact CE1-CD1 4.3Å; M2269-L2273 HydrophobicContact CB-CD1 4.46Å; M2269-L2273 HydrophobicContact CE-CD1 4.48Å; M2269-L2273 VanDerWaalsContact O-CG 3.28Å; M2269-L2273 WeakPolarHBondContact O-CG 3.41Å; M2269-L2273 PolarHBondContact O-N 2.96Å; P2270-L2273 HydrophobicContact CB-CD1 3.89Å; P2270-L2273 HydrophobicContact CB-CD2 4.37Å; P2270-L2273 HydrophobicContact CB-CG 3.59Å; P2270-L2273 HydrophobicContact CG-CD1 3.67Å; P2270-L2273 HydrophobicContact CG-CG 3.99Å; P2270-L2273 PolarHBondContact O-N 2.95Å; L2273-P2275 VanDerWaalsContact O-CD 3.32Å; L2273-P2275 WeakPolarHBondContact O-CD 3.14Å; L2273-D2277 HydrophobicContact CD2-CB 4.19Å; L2273-F2278 HydrophobicContact CB-CE1 3.93Å; L2273-F2278 HydrophobicContact CB-CE2 3.77Å; L2273-F2278 HydrophobicContact CB-CZ 3.39Å; L2273-F2278 HydrophobicContact CD1-CD1 4.33Å; L2273-F2278 HydrophobicContact CD1-CE1 3.47Å; L2273-F2278 VanDerWaalsContact CD1-CE1 3.47Å; L2273-F2278 HydrophobicContact CD1-CZ 3.77Å; L2273-F2278 HydrophobicContact CD2-CE2 4.28Å; L2273-F2278 HydrophobicContact CD2-CZ 4.07Å; L2273-F2278 HydrophobicContact CG-CE1 4.21Å; L2273-F2278 HydrophobicContact CG-CZ 4.15Å | ||
| 2274 | E | 59.3 | Low | 67.9 | Low | 109.8 Ų | 109.8 | 74.4 Ų | 74.4 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | -85.2 | 120.6 | 172.1 | -79.1 | -166.7 | -167.6 | 0 | 0 | 110.6 | P2270 V2272 K2276 D2277 | P2270-E2274 PolarHBondContact O-N 3.17Å; P2270-E2274 VanDerWaalsContact O-N 3.15Å; V2272-E2274 HydrophobicContact CG1-CB 3.93Å; V2272-E2274 HydrophobicContact CG1-CG 3.94Å; V2272-E2274 PolarHBondContact O-N 2.82Å; E2274-K2276 VanDerWaalsContact C-N 3.31Å; E2274-K2276 PolarHBondContact O-N 3.25Å; E2274-K2276 VanDerWaalsContact O-N 3.16Å; E2274-K2276 WeakPolarHBondContact OE2-CE 3.22Å; E2274-K2276 IonicContact OE2-NZ 3.24Å; E2274-K2276 PolarHBondContact OE2-NZ 3.27Å; E2274-D2277 PolarHBondContact O-N 3.02Å; E2274-D2277 VanDerWaalsContact O-N 3.15Å | ||
| 2275 | P | 55.7 | Low | 68.7 | Low | 93.8 Ų | 93.8 | 72.3 Ų | 72.3 | 61% | 0.609 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 28.3 | 179.6 | 16.7 | -21.6 | 0 | 0 | 0 | 113 | L2273 D2277 F2278 | L2273-P2275 VanDerWaalsContact O-CD 3.32Å; L2273-P2275 WeakPolarHBondContact O-CD 3.14Å; P2275-D2277 PolarHBondContact O-N 2.97Å; P2275-F2278 HydrophobicContact CB-CD2 4.49Å; P2275-F2278 HydrophobicContact CB-CE1 3.93Å; P2275-F2278 HydrophobicContact CB-CE2 3.89Å; P2275-F2278 HydrophobicContact CB-CZ 3.57Å; P2275-F2278 HydrophobicContact CG-CE1 4.47Å; P2275-F2278 HydrophobicContact CG-CE2 3.87Å; P2275-F2278 HydrophobicContact CG-CZ 3.66Å |
| 2276 | K | 56.3 | Low | 69.6 | Low | 139.8 Ų | 139.8 | 70.9 Ų | 70.9 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -32.3 | 180 | -68.8 | 176.6 | -174.3 | 151.5 | 0 | 113.4 | K2271 E2274 F2278 S2279 | K2271-K2276 PolarHBondContact O-NZ 2.97Å; E2274-K2276 VanDerWaalsContact C-N 3.31Å; E2274-K2276 PolarHBondContact O-N 3.25Å; E2274-K2276 VanDerWaalsContact O-N 3.16Å; E2274-K2276 WeakPolarHBondContact OE2-CE 3.22Å; E2274-K2276 IonicContact OE2-NZ 3.24Å; E2274-K2276 PolarHBondContact OE2-NZ 3.27Å; K2276-F2278 PolarHBondContact O-N 3.06Å; K2276-S2279 VanDerWaalsContact O-CB 3.32Å; K2276-S2279 WeakPolarHBondContact O-CB 3.37Å; K2276-S2279 PolarHBondContact O-N 2.92Å; K2276-S2279 PolarHBondContact O-OG 3.1Å |
| 2277 | D | 62 | Low | 70.4 | Confident | 95.4 Ų | 95.4 | 66.7 Ų | 66.7 | 51% | 0.51 | 33% | 0.334 | S | S | . | . | trans | -89.1 | 15 | 178.9 | -74.9 | -36 | 0 | 0 | 0 | 111.6 | L2273 E2274 P2275 S2279 K2280 | L2273-D2277 HydrophobicContact CD2-CB 4.19Å; E2274-D2277 PolarHBondContact O-N 3.02Å; E2274-D2277 VanDerWaalsContact O-N 3.15Å; P2275-D2277 PolarHBondContact O-N 2.97Å; D2277-S2279 PolarHBondContact O-N 2.97Å; D2277-S2279 VanDerWaalsContact O-N 3.16Å; D2277-K2280 PolarHBondContact O-N 3.05Å | ||
| 2278 | F | 65.4 | Low | 71.4 | Confident | 33.4 Ų | 33.4 | 65 Ų | 65 | 15% | 0.146 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -60.8 | -22.3 | 172 | -68.7 | -72 | 0 | 0 | 0 | 113.4 | C2254 Y2256 L2273 P2275 K2276 K2280 M2281 A2283 L2285 H2324 | C2254-F2278 HydrophobicContact CB-CE1 4.49Å; C2254-F2278 WeakPolarHBondContact SG-CE1 3.35Å; Y2256-F2278 HydrophobicContact CD1-CE1 4.25Å; Y2256-F2278 HydrophobicContact CE1-CE1 4.32Å; L2273-F2278 HydrophobicContact CB-CE1 3.93Å; L2273-F2278 HydrophobicContact CB-CE2 3.77Å; L2273-F2278 HydrophobicContact CB-CZ 3.39Å; L2273-F2278 HydrophobicContact CD1-CD1 4.33Å; L2273-F2278 HydrophobicContact CD1-CE1 3.47Å; L2273-F2278 VanDerWaalsContact CD1-CE1 3.47Å; L2273-F2278 HydrophobicContact CD1-CZ 3.77Å; L2273-F2278 HydrophobicContact CD2-CE2 4.28Å; L2273-F2278 HydrophobicContact CD2-CZ 4.07Å; L2273-F2278 HydrophobicContact CG-CE1 4.21Å; L2273-F2278 HydrophobicContact CG-CZ 4.15Å; P2275-F2278 HydrophobicContact CB-CD2 4.49Å; P2275-F2278 HydrophobicContact CB-CE1 3.93Å; P2275-F2278 HydrophobicContact CB-CE2 3.89Å; P2275-F2278 HydrophobicContact CB-CZ 3.57Å; P2275-F2278 HydrophobicContact CG-CE1 4.47Å; P2275-F2278 HydrophobicContact CG-CE2 3.87Å; P2275-F2278 HydrophobicContact CG-CZ 3.66Å; K2276-F2278 PolarHBondContact O-N 3.06Å; F2278-K2280 VanDerWaalsContact C-N 3.26Å; F2278-K2280 PolarHBondContact O-N 3.01Å; F2278-K2280 VanDerWaalsContact O-N 3.11Å; F2278-M2281 PolarHBondContact O-N 3.05Å; F2278-M2281 VanDerWaalsContact O-N 3.1Å; F2278-M2281 VanDerWaalsContact O-O 3.13Å; F2278-A2283 HydrophobicContact CB-CB 4.23Å; F2278-A2283 HydrophobicContact CD1-CB 4.04Å; F2278-L2285 HydrophobicContact CD2-CD2 4.25Å; F2278-L2285 HydrophobicContact CE2-CD2 3.97Å; F2278-L2285 HydrophobicContact CZ-CD1 4.48Å; F2278-L2285 HydrophobicContact CZ-CD2 4.45Å; F2278-H2324 WeakPolarHBondContact O-CB 3.48Å |
| 2279 | S | 61.5 | Low | 72.3 | Confident | 45.6 Ų | 45.6 | 64.8 Ų | 64.8 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -51.8 | -37.6 | 179.6 | 27.4 | 0 | 0 | 0 | 0 | 113.5 | K2276 D2277 M2281 E2599 | K2276-S2279 VanDerWaalsContact O-CB 3.32Å; K2276-S2279 WeakPolarHBondContact O-CB 3.37Å; K2276-S2279 PolarHBondContact O-N 2.92Å; K2276-S2279 PolarHBondContact O-OG 3.1Å; D2277-S2279 PolarHBondContact O-N 2.97Å; D2277-S2279 VanDerWaalsContact O-N 3.16Å; S2279-M2281 VanDerWaalsContact C-N 3.3Å; S2279-M2281 PolarHBondContact O-N 3.04Å; S2279-E2599 VanDerWaalsContact C-OE2 3.29Å; S2279-E2599 WeakPolarHBondContact CA-OE2 3.27Å; S2279-E2599 WeakPolarHBondContact CB-OE2 3.34Å |
| 2280 | K | 67.2 | Low | 73.5 | Confident | 139.8 Ų | 139.8 | 64.1 Ų | 64.1 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -86.3 | -9.7 | -176.4 | -60.7 | 179.6 | -178 | 176 | 0 | 113.7 | D2277 F2278 N2326 Q2601 | D2277-K2280 PolarHBondContact O-N 3.05Å; F2278-K2280 VanDerWaalsContact C-N 3.26Å; F2278-K2280 PolarHBondContact O-N 3.01Å; F2278-K2280 VanDerWaalsContact O-N 3.11Å; K2280-N2326 PolarHBondContact O-ND2 2.88Å; K2280-Q2601 PolarHBondContact O-NE2 2.86Å |
| 2281 | M | 74.1 | Confident | 74.9 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -110.1 | 151.2 | -170.8 | -61.8 | -171.1 | 139.4 | 0 | 0 | 111.8 | Y2256 F2257 L2258 F2278 S2279 A2283 H2324 | Y2256-M2281 HydrophobicContact CD2-CE 3.74Å; Y2256-M2281 HydrophobicContact CD2-SD 4.1Å; Y2256-M2281 HydrophobicContact CE2-CE 4.03Å; Y2256-M2281 HydrophobicContact CE2-SD 4.3Å; F2257-M2281 WeakPolarHBondContact O-CE 3.47Å; L2258-M2281 HydrophobicContact CD1-CE 4.04Å; F2278-M2281 PolarHBondContact O-N 3.05Å; F2278-M2281 VanDerWaalsContact O-N 3.1Å; F2278-M2281 VanDerWaalsContact O-O 3.13Å; S2279-M2281 VanDerWaalsContact C-N 3.3Å; S2279-M2281 PolarHBondContact O-N 3.04Å; M2281-A2283 HydrophobicContact CB-CB 4.4Å; M2281-A2283 PolarHBondContact O-N 2.99Å; M2281-A2283 VanDerWaalsContact O-N 3.14Å; M2281-H2324 WeakPolarHBondContact O-CB 3.49Å |
| 2282 | N | 84.7 | Confident | 76.5 | Confident | 3.6 Ų | 3.6 | 58.7 Ų | 58.7 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -78.5 | 100.4 | 166.8 | -71.3 | -66.1 | 0 | 0 | 0 | 108.6 | Y2256 F2257 E2259 H2324 F2325 N2326 I2329 L2332 | Y2256-N2282 CarbonylContact C-O 3.53Å; Y2256-N2282 VanDerWaalsContact CA-O 3.27Å; Y2256-N2282 WeakPolarHBondContact CA-O 3.26Å; Y2256-N2282 VanDerWaalsContact CB-O 3.3Å; Y2256-N2282 WeakPolarHBondContact CB-O 3.3Å; F2257-N2282 HydrophobicContact CB-CB 4.39Å; F2257-N2282 HydrophobicContact CD2-CB 3.95Å; F2257-N2282 PolarHBondContact N-O 2.96Å; E2259-N2282 PolarHBondContact OE1-ND2 3.18Å; N2282-H2324 CarbonylContact C-O 3.57Å; N2282-H2324 WeakPolarHBondContact CA-O 3.38Å; N2282-F2325 WeakPolarHBondContact OD1-CA 3.42Å; N2282-N2326 PolarHBondContact ND2-ND2 2.75Å; N2282-N2326 PolarHBondContact ND2-OD1 3Å; N2282-N2326 PolarHBondContact OD1-N 3.02Å; N2282-N2326 PolarHBondContact OD1-O 2.88Å; N2282-N2326 PolarHBondContact OD1-OD1 2.93Å; N2282-I2329 HydrophobicContact CB-CD1 4.09Å; N2282-I2329 WeakPolarHBondContact OD1-CB 3.32Å; N2282-L2332 HydrophobicContact CB-CD1 4.3Å; N2282-L2332 VanDerWaalsContact ND2-CD1 3.27Å; N2282-L2332 WeakPolarHBondContact ND2-CD1 3.34Å | ||
| 2283 | A | 87.6 | Confident | 78.2 | Confident | 2.4 Ų | 2.4 | 58.4 Ų | 58.4 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V2255 F2278 M2281 M2323 H2324 | V2255-A2283 CarbonylContact O-C 3.56Å; V2255-A2283 VanDerWaalsContact O-CA 3.32Å; V2255-A2283 WeakPolarHBondContact O-CA 3.45Å; F2278-A2283 HydrophobicContact CB-CB 4.23Å; F2278-A2283 HydrophobicContact CD1-CB 4.04Å; M2281-A2283 HydrophobicContact CB-CB 4.4Å; M2281-A2283 PolarHBondContact O-N 2.99Å; M2281-A2283 VanDerWaalsContact O-N 3.14Å; A2283-M2323 CarbonylContact O-C 3.56Å; A2283-M2323 WeakPolarHBondContact O-CA 3.08Å; A2283-H2324 HydrophobicContact CB-CB 4.37Å; A2283-H2324 PolarHBondContact N-O 3.29Å; A2283-H2324 VanDerWaalsContact N-O 3.08Å; A2283-H2324 PolarHBondContact O-N 2.93Å; A2283-H2324 VanDerWaalsContact O-O 3.09Å |
| 2284 | W | 88.7 | Confident | 79.7 | Confident | 96.4 Ų | 96.4 | 57 Ų | 57 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.5 | 172.2 | -109.3 | 1.5 | 0 | 0 | 0 | 108.4 | F2253 C2254 V2255 V2286 L2321 D2322 M2323 F2325 | F2253-W2284 HydrophobicContact CE1-CE3 4.42Å; F2253-W2284 HydrophobicContact CE1-CH2 4.44Å; F2253-W2284 AromaticContact CE1-CZ3 3.95Å; F2253-W2284 HydrophobicContact CE1-CZ3 4.21Å; C2254-W2284 CarbonylContact C-O 3.51Å; C2254-W2284 WeakPolarHBondContact CA-O 3.35Å; C2254-W2284 PolarHBondContact SG-O 2.92Å; C2254-W2284 VanDerWaalsContact SG-O 3.35Å; V2255-W2284 HydrophobicContact CB-CB 4.47Å; V2255-W2284 HydrophobicContact CB-CE3 4.1Å; V2255-W2284 HydrophobicContact CG1-CE3 3.93Å; V2255-W2284 HydrophobicContact CG1-CZ3 4.19Å; V2255-W2284 HydrophobicContact CG2-CE3 3.99Å; V2255-W2284 HydrophobicContact CG2-CZ3 4.3Å; V2255-W2284 PolarHBondContact N-O 3.14Å; V2255-W2284 PolarHBondContact O-N 3.07Å; W2284-V2286 HydrophobicContact CZ2-CG2 4.42Å; W2284-L2321 HydrophobicContact CZ2-CD1 3.94Å; W2284-D2322 CarbonylContact C-O 3.53Å; W2284-D2322 WeakPolarHBondContact CA-O 3.22Å; W2284-M2323 HydrophobicContact CB-CE 4.48Å; W2284-M2323 VanDerWaalsContact CD1-CE 3.44Å; W2284-M2323 HydrophobicContact CD2-CE 4.43Å; W2284-M2323 HydrophobicContact CG-CE 4.08Å; W2284-M2323 HydrophobicContact CG-CG 4.43Å; W2284-M2323 HydrophobicContact CH2-CE 4.36Å; W2284-M2323 HydrophobicContact CZ2-CE 3.51Å; W2284-F2325 AromaticContact CD1-CZ 3.75Å; W2284-F2325 HydrophobicContact CZ2-CE1 4.35Å; W2284-F2325 AromaticContact NE1-CE1 3.42Å; W2284-F2325 VanDerWaalsContact NE1-CE1 3.33Å; W2284-F2325 AromaticContact NE1-CE2 3.76Å; W2284-F2325 AromaticContact NE1-CZ 3.5Å |
| 2285 | L | 88.9 | Confident | 81.2 | Confident | 27.4 Ų | 27.4 | 53 Ų | 53 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.6 | -176 | 173 | 67.5 | 0 | 0 | 0 | 110 | F2253 C2254 F2278 T2287 L2321 D2322 | F2253-L2285 CarbonylContact O-C 3.5Å; F2253-L2285 WeakPolarHBondContact O-CA 3.37Å; C2254-L2285 HydrophobicContact CB-CB 4.27Å; C2254-L2285 HydrophobicContact CB-CD1 3.89Å; F2278-L2285 HydrophobicContact CD2-CD2 4.25Å; F2278-L2285 HydrophobicContact CE2-CD2 3.97Å; F2278-L2285 HydrophobicContact CZ-CD1 4.48Å; F2278-L2285 HydrophobicContact CZ-CD2 4.45Å; L2285-T2287 HydrophobicContact CD2-CG2 4.48Å; L2285-L2321 CarbonylContact O-C 3.5Å; L2285-L2321 WeakPolarHBondContact O-CA 3.39Å; L2285-D2322 HydrophobicContact CB-CB 4.21Å; L2285-D2322 HydrophobicContact CD2-CB 4.39Å; L2285-D2322 HydrophobicContact CG-CB 4.45Å; L2285-D2322 PolarHBondContact N-O 2.98Å; L2285-D2322 PolarHBondContact O-N 3.18Å |
| 2286 | V | 89.6 | Confident | 82.7 | Confident | 7.4 Ų | 7.4 | 51.1 Ų | 51.1 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120 | 165.5 | 175.2 | 0 | 0 | 0 | 0 | 108.2 | F2250 G2252 F2253 W2284 E2288 I2318 G2320 L2321 | F2250-V2286 HydrophobicContact CE2-CB 4.31Å; F2250-V2286 HydrophobicContact CE2-CG1 3.68Å; F2250-V2286 HydrophobicContact CZ-CG1 4.24Å; G2252-V2286 CarbonylContact C-O 3.6Å; G2252-V2286 WeakPolarHBondContact CA-O 3.3Å; G2252-V2286 PolarHBondContact N-O 2.88Å; F2253-V2286 HydrophobicContact CB-CB 4.3Å; F2253-V2286 HydrophobicContact CD1-CB 4.44Å; F2253-V2286 HydrophobicContact CD1-CG2 4.3Å; F2253-V2286 PolarHBondContact N-O 3.18Å; F2253-V2286 PolarHBondContact O-N 2.9Å; W2284-V2286 HydrophobicContact CZ2-CG2 4.42Å; V2286-E2288 VanDerWaalsContact CG1-O 3.32Å; V2286-E2288 WeakPolarHBondContact CG1-O 3.39Å; V2286-I2318 HydrophobicContact CG1-CG2 3.82Å; V2286-I2318 HydrophobicContact CG2-CG2 4.13Å; V2286-G2320 VanDerWaalsContact CA-O 3.3Å; V2286-G2320 WeakPolarHBondContact CA-O 3.34Å; V2286-L2321 HydrophobicContact CG2-CD1 3.71Å |
| 2287 | T | 87.4 | Confident | 84.1 | Confident | 64.2 Ų | 64.2 | 49 Ų | 49 | 39% | 0.394 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -49.3 | -177.6 | 39.9 | 0 | 0 | 0 | 0 | 112.2 | H2251 G2252 L2285 K2319 G2320 | H2251-T2287 WeakPolarHBondContact CA-O 3.4Å; H2251-T2287 PolarHBondContact CE1-O 3.38Å; H2251-T2287 PolarHBondContact ND1-O 2.89Å; H2251-T2287 VanDerWaalsContact ND1-O 3.08Å; G2252-T2287 PolarHBondContact N-O 3.09Å; L2285-T2287 HydrophobicContact CD2-CG2 4.48Å; T2287-K2319 PolarHBondContact OG1-O 3.2Å; T2287-G2320 PolarHBondContact N-O 3.03Å; T2287-G2320 VanDerWaalsContact N-O 3.11Å; T2287-G2320 WeakPolarHBondContact OG1-CA 3.3Å; T2287-G2320 PolarHBondContact OG1-O 3.09Å |
| 2288 | E | 90.7 | Very high | 84.8 | Confident | 68.8 Ų | 68.8 | 50.8 Ų | 50.8 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148.6 | 176 | -176.4 | -170.7 | 150.8 | 0 | 0 | 109.5 | M2249 F2250 V2286 K2319 | M2249-E2288 HydrophobicContact CE-CG 4.39Å; M2249-E2288 WeakPolarHBondContact CE-OE1 3.43Å; F2250-E2288 CarbonylContact O-C 3.55Å; F2250-E2288 WeakPolarHBondContact O-CA 3.36Å; V2286-E2288 VanDerWaalsContact CG1-O 3.32Å; V2286-E2288 WeakPolarHBondContact CG1-O 3.39Å; E2288-K2319 HydrophobicContact CB-CB 4.25Å; E2288-K2319 PolarHBondContact N-O 3.37Å; E2288-K2319 VanDerWaalsContact N-O 3.12Å; E2288-K2319 CarbonylContact O-C 3.54Å; E2288-K2319 WeakPolarHBondContact O-CA 3.38Å; E2288-K2319 WeakPolarHBondContact O-CB 3.28Å; E2288-K2319 PolarHBondContact O-N 3.2Å; E2288-K2319 VanDerWaalsContact O-O 3.09Å; E2288-K2319 WeakPolarHBondContact OE1-CE 3.23Å; E2288-K2319 IonicContact OE1-NZ 2.79Å; E2288-K2319 PolarHBondContact OE1-NZ 3.17Å; E2288-K2319 IonicContact OE2-NZ 3.58Å |
| 2289 | G | 91 | Very high | 84.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 166.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M2249 F2250 N2317 | M2249-G2289 CarbonylContact C-O 3.5Å; M2249-G2289 WeakPolarHBondContact CA-O 3.23Å; F2250-G2289 VanDerWaalsContact CD1-O 3.26Å; F2250-G2289 WeakPolarHBondContact CD1-O 3.2Å; F2250-G2289 VanDerWaalsContact CE1-CA 3.42Å; F2250-G2289 WeakPolarHBondContact CE1-O 3.33Å; F2250-G2289 VanDerWaalsContact CZ-CA 3.46Å; F2250-G2289 PolarHBondContact N-O 3.02Å; F2250-G2289 PolarHBondContact O-N 3.11Å; G2289-N2317 CarbonylContact C-O 3.53Å; G2289-N2317 WeakPolarHBondContact CA-O 3.26Å |
| 2290 | T | 93.3 | Very high | 84.5 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.4 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | G2248 M2249 N2317 | G2248-T2290 CarbonylContact O-C 3.47Å; G2248-T2290 VanDerWaalsContact O-CA 3.22Å; G2248-T2290 WeakPolarHBondContact O-CA 3.36Å; M2249-T2290 HydrophobicContact CB-CG2 4.25Å; M2249-T2290 HydrophobicContact CE-CG2 4.34Å; M2249-T2290 HydrophobicContact CG-CG2 4.05Å; T2290-N2317 PolarHBondContact N-O 3.02Å; T2290-N2317 PolarHBondContact O-N 3.13Å |
| 2291 | Y | 93.1 | Very high | 83.5 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.5 | 173 | 76.6 | -100 | 0 | 0 | 0 | 111.1 | I2236 S2246 R2247 G2248 F2250 I2293 M2315 | I2236-Y2291 HydrophobicContact CD1-CE1 4.37Å; I2236-Y2291 VanDerWaalsContact CD1-OH 3.28Å; I2236-Y2291 WeakPolarHBondContact CD1-OH 3.34Å; I2236-Y2291 HydrophobicContact CG1-CE1 4.23Å; I2236-Y2291 VanDerWaalsContact CG1-OH 3.31Å; I2236-Y2291 WeakPolarHBondContact CG1-OH 3.39Å; I2236-Y2291 VanDerWaalsContact CG2-OH 3.25Å; I2236-Y2291 WeakPolarHBondContact CG2-OH 3.34Å; S2246-Y2291 WeakPolarHBondContact OG-CE2 3.42Å; S2246-Y2291 PolarHBondContact OG-OH 3.04Å; S2246-Y2291 VanDerWaalsContact OG-OH 3.05Å; R2247-Y2291 CarbonylContact C-O 3.55Å; R2247-Y2291 VanDerWaalsContact CA-O 3.31Å; R2247-Y2291 WeakPolarHBondContact CA-O 3.34Å; G2248-Y2291 VanDerWaalsContact CA-CE1 3.45Å; G2248-Y2291 PolarHBondContact N-O 3.1Å; G2248-Y2291 PolarHBondContact O-N 3.03Å; F2250-Y2291 HydrophobicContact CD1-CD1 4.41Å; Y2291-I2293 HydrophobicContact CD2-CD1 3.85Å; Y2291-I2293 HydrophobicContact CD2-CG1 3.91Å; Y2291-I2293 HydrophobicContact CE2-CD1 3.83Å; Y2291-I2293 HydrophobicContact CE2-CG1 4.24Å; Y2291-M2315 CarbonylContact C-O 3.53Å; Y2291-M2315 VanDerWaalsContact CA-O 3.23Å; Y2291-M2315 WeakPolarHBondContact CA-O 3.28Å |
| 2292 | D | 93.3 | Very high | 82 | Confident | 38.6 Ų | 38.6 | 60.4 Ų | 60.4 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.4 | 170.7 | -70.9 | -59.4 | 0 | 0 | 0 | 108.3 | S2246 R2247 I2314 M2315 | S2246-D2292 CarbonylContact O-C 3.56Å; S2246-D2292 WeakPolarHBondContact O-CA 3.32Å; R2247-D2292 WeakPolarHBondContact CB-OD1 3.35Å; R2247-D2292 VanDerWaalsContact CD-OD1 3.22Å; R2247-D2292 WeakPolarHBondContact CD-OD1 3.32Å; R2247-D2292 WeakPolarHBondContact CG-OD1 3.36Å; R2247-D2292 IonicContact CZ-OD1 3.1Å; R2247-D2292 IonicContact CZ-OD2 3.29Å; R2247-D2292 IonicContact NE-OD1 3.16Å; R2247-D2292 IonicContact NH1-OD1 2.96Å; R2247-D2292 PolarHBondContact NH1-OD1 3.15Å; R2247-D2292 IonicContact NH1-OD2 3.42Å; R2247-D2292 PolarHBondContact NH1-OD2 2.92Å; R2247-D2292 VanDerWaalsContact NH1-OD2 3.11Å; D2292-I2314 CarbonylContact O-C 3.56Å; D2292-I2314 WeakPolarHBondContact O-CA 3.34Å; D2292-M2315 HydrophobicContact CB-CB 4.37Å; D2292-M2315 HydrophobicContact CB-CE 4.03Å; D2292-M2315 PolarHBondContact N-O 3.2Å; D2292-M2315 PolarHBondContact O-N 2.97Å |
| 2293 | I | 93.2 | Very high | 80.1 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 29% | 0.292 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | 175.9 | -63.3 | 167.6 | 0 | 0 | 0 | 108 | V2245 S2246 Y2291 L2312 N2313 I2314 | V2245-I2293 CarbonylContact C-O 3.51Å; V2245-I2293 WeakPolarHBondContact CA-O 3.36Å; S2246-I2293 PolarHBondContact N-O 3.27Å; S2246-I2293 PolarHBondContact O-N 3Å; Y2291-I2293 HydrophobicContact CD2-CD1 3.85Å; Y2291-I2293 HydrophobicContact CD2-CG1 3.91Å; Y2291-I2293 HydrophobicContact CE2-CD1 3.83Å; Y2291-I2293 HydrophobicContact CE2-CG1 4.24Å; I2293-L2312 HydrophobicContact CG2-CD1 4.03Å; I2293-N2313 CarbonylContact C-O 3.52Å; I2293-N2313 VanDerWaalsContact CA-O 3.3Å; I2293-N2313 WeakPolarHBondContact CA-O 3.38Å; I2293-I2314 HydrophobicContact CG1-CG1 4.3Å; I2293-I2314 HydrophobicContact CG1-CG2 4.23Å; I2293-I2314 HydrophobicContact CG2-CG1 4.42Å |
| 2294 | C | 91.5 | Very high | 78.4 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.2 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | L2244 V2245 L2312 N2313 | L2244-C2294 CarbonylContact O-C 3.51Å; L2244-C2294 WeakPolarHBondContact O-CA 3.44Å; V2245-C2294 HydrophobicContact CG2-CB 4.43Å; C2294-L2312 CarbonylContact O-C 3.55Å; C2294-L2312 WeakPolarHBondContact O-CA 3.42Å; C2294-N2313 HydrophobicContact CB-CB 4.42Å; C2294-N2313 PolarHBondContact N-O 3.17Å; C2294-N2313 PolarHBondContact O-N 3.17Å |
| 2295 | S | 90.5 | Very high | 76.5 | Confident | 25.6 Ų | 25.6 | 74.9 Ų | 74.9 | 18% | 0.179 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.2 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | P2243 L2244 W2310 V2311 | P2243-S2295 CarbonylContact C-O 3.59Å; P2243-S2295 VanDerWaalsContact CA-O 3.27Å; P2243-S2295 WeakPolarHBondContact CA-O 3.29Å; L2244-S2295 PolarHBondContact N-O 2.96Å; L2244-S2295 PolarHBondContact O-N 3.05Å; S2295-W2310 PolarHBondContact OG-NE1 2.9Å; S2295-V2311 CarbonylContact C-O 3.49Å; S2295-V2311 WeakPolarHBondContact CA-O 3.31Å |
| 2296 | E | 86.8 | Confident | 75 | Confident | 54.2 Ų | 54.2 | 80.4 Ų | 80.4 | 25% | 0.253 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 137.5 | -178.7 | -167.4 | -168.8 | 158.3 | 0 | 0 | 110.3 | P2243 R2298 V2311 | P2243-E2296 HydrophobicContact CB-CB 4.12Å; P2243-E2296 HydrophobicContact CB-CG 4.14Å; P2243-E2296 HydrophobicContact CG-CG 4.04Å; E2296-R2298 HydrophobicContact CG-CG 4.31Å; E2296-R2298 VanDerWaalsContact OE1-CG 3.26Å; E2296-R2298 WeakPolarHBondContact OE1-CG 3.29Å; E2296-R2298 IonicContact OE1-CZ 3.45Å; E2296-R2298 IonicContact OE1-NE 2.92Å; E2296-R2298 PolarHBondContact OE1-NE 2.86Å; E2296-R2298 IonicContact OE1-NH2 2.85Å; E2296-R2298 PolarHBondContact OE1-NH2 3.01Å; E2296-R2298 IonicContact OE2-CZ 3.17Å; E2296-R2298 IonicContact OE2-NE 3.65Å; E2296-R2298 PolarHBondContact OE2-NE 3.13Å; E2296-R2298 IonicContact OE2-NH2 3.37Å; E2296-R2298 PolarHBondContact OE2-NH2 3.19Å; E2296-V2311 HydrophobicContact CB-CB 4.49Å; E2296-V2311 PolarHBondContact N-O 3.15Å; E2296-V2311 PolarHBondContact O-N 2.93Å |
| 2297 | T | 84.8 | Confident | 73.7 | Confident | 95.2 Ų | 95.2 | 81 Ų | 81 | 58% | 0.584 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.8 | 173 | -56 | 0 | 0 | 0 | 0 | 109.5 | A2308 L2309 | T2297-A2308 HydrophobicContact CG2-CB 4.09Å; T2297-L2309 CarbonylContact C-O 3.53Å; T2297-L2309 WeakPolarHBondContact CA-O 3.41Å |
| 2298 | R | 77.8 | Confident | 73.1 | Confident | 132.8 Ų | 132.8 | 79.4 Ų | 79.4 | 50% | 0.501 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.8 | 180 | -64.5 | -176.4 | -179.7 | 170.6 | 7.9 | 110.6 | E2296 A2308 L2309 | E2296-R2298 HydrophobicContact CG-CG 4.31Å; E2296-R2298 VanDerWaalsContact OE1-CG 3.26Å; E2296-R2298 WeakPolarHBondContact OE1-CG 3.29Å; E2296-R2298 IonicContact OE1-CZ 3.45Å; E2296-R2298 IonicContact OE1-NE 2.92Å; E2296-R2298 PolarHBondContact OE1-NE 2.86Å; E2296-R2298 IonicContact OE1-NH2 2.85Å; E2296-R2298 PolarHBondContact OE1-NH2 3.01Å; E2296-R2298 IonicContact OE2-CZ 3.17Å; E2296-R2298 IonicContact OE2-NE 3.65Å; E2296-R2298 PolarHBondContact OE2-NE 3.13Å; E2296-R2298 IonicContact OE2-NH2 3.37Å; E2296-R2298 PolarHBondContact OE2-NH2 3.19Å; R2298-A2308 CarbonylContact O-C 3.56Å; R2298-A2308 WeakPolarHBondContact O-CA 3.34Å; R2298-L2309 HydrophobicContact CB-CB 4.48Å; R2298-L2309 PolarHBondContact N-O 2.95Å; R2298-L2309 PolarHBondContact O-N 2.94Å |
| 2299 | T | 68.1 | Low | 72.7 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 74% | 0.742 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.6 | 164.2 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | C2301 A2308 | T2299-C2301 PolarHBondContact O-N 2.88Å; T2299-A2308 HydrophobicContact CG2-CB 4.22Å |
| 2300 | C | 53.3 | Low | 72.4 | Confident | 65.6 Ų | 65.6 | 83.4 Ų | 83.4 | 44% | 0.443 | 46% | 0.463 | S | S | . | . | trans | -69.2 | 128.7 | 178.3 | -147.6 | 0 | 0 | 0 | 0 | 110.3 | E2302 S2305 | C2300-E2302 PolarHBondContact SG-N 3.08Å; C2300-S2305 WeakPolarHBondContact CB-OG 3.37Å; C2300-S2305 PolarHBondContact SG-OG 2.95Å; C2300-S2305 VanDerWaalsContact SG-OG 3.36Å | ||
| 2301 | C | 45 | Very low | 72.2 | Confident | 132 Ų | 132 | 83.2 Ų | 83.2 | 89% | 0.892 | 46% | 0.462 | S | S | * | . | trans | -107.9 | 20.1 | 178.4 | -157.8 | 0 | 0 | 0 | 0 | 112.2 | T2299 | T2299-C2301 PolarHBondContact O-N 2.88Š| ||
| 2302 | E | 43.2 | Very low | 72.1 | Confident | 152 Ų | 152 | 82.4 Ų | 82.4 | 71% | 0.71 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -121.1 | 135.2 | -179 | -75.4 | 179.7 | 165.2 | 0 | 0 | 111.1 | C2300 T2304 | C2300-E2302 PolarHBondContact SG-N 3.08Å; E2302-T2304 PolarHBondContact O-N 3.05Å; E2302-T2304 PolarHBondContact O-OG1 3.29Å |
| 2303 | Q | 45.2 | Very low | 72.1 | Confident | 207.6 Ų | 207.6 | 82.7 Ų | 82.7 | 97% | 0.97 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 9.7 | -166.2 | -63.3 | 178.9 | -14.3 | 0 | 0 | 117.6 | ||
| 2304 | T | 50.4 | Low | 72.1 | Confident | 128.8 Ų | 128.8 | 82 Ų | 82 | 79% | 0.79 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 11.6 | -170.3 | 21.7 | 0 | 0 | 0 | 0 | 114.7 | E2302 V2306 | E2302-T2304 PolarHBondContact O-N 3.05Å; E2302-T2304 PolarHBondContact O-OG1 3.29Å; T2304-V2306 HydrophobicContact CG2-CG2 3.84Å; T2304-V2306 PolarHBondContact O-N 2.91Å |
| 2305 | S | 50.5 | Low | 72.2 | Confident | 70.8 Ų | 70.8 | 83.4 Ų | 83.4 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | trans | -128.7 | 119.9 | 174.9 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | C2300 G2307 | C2300-S2305 WeakPolarHBondContact CB-OG 3.37Å; C2300-S2305 PolarHBondContact SG-OG 2.95Å; C2300-S2305 VanDerWaalsContact SG-OG 3.36Å; S2305-G2307 VanDerWaalsContact C-N 3.29Å; S2305-G2307 PolarHBondContact O-N 3.44Å | ||
| 2306 | V | 55.4 | Low | 72.3 | Confident | 142.6 Ų | 142.6 | 86.9 Ų | 86.9 | 86% | 0.864 | 47% | 0.471 | S | S | * | . | trans | -95.4 | 8 | -175 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | T2304 | T2304-V2306 HydrophobicContact CG2-CG2 3.84Å; T2304-V2306 PolarHBondContact O-N 2.91Å | ||
| 2307 | G | 63.6 | Low | 72.6 | Confident | 20.2 Ų | 20.2 | 86.4 Ų | 86.4 | 21% | 0.208 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -98.7 | 158.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2305 L2309 A2580 | S2305-G2307 VanDerWaalsContact C-N 3.29Å; S2305-G2307 PolarHBondContact O-N 3.44Å; G2307-L2309 PolarHBondContact O-N 3Å; G2307-A2580 WeakPolarHBondContact CA-O 3.33Å |
| 2308 | A | 73.7 | Confident | 72.9 | Confident | 30 Ų | 30 | 82.6 Ų | 82.6 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 143.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T2297 R2298 T2299 V2581 D2582 | T2297-A2308 HydrophobicContact CG2-CB 4.09Å; R2298-A2308 CarbonylContact O-C 3.56Å; R2298-A2308 WeakPolarHBondContact O-CA 3.34Å; T2299-A2308 HydrophobicContact CG2-CB 4.22Å; A2308-V2581 CarbonylContact O-C 3.53Å; A2308-V2581 WeakPolarHBondContact O-CA 3.29Å; A2308-V2581 WeakPolarHBondContact O-CG1 3.21Å; A2308-D2582 PolarHBondContact O-N 3.17Å |
| 2309 | L | 82.1 | Confident | 73.3 | Confident | 56.4 Ų | 56.4 | 79.9 Ų | 79.9 | 30% | 0.295 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.4 | 176.7 | 177 | 65.8 | 0 | 0 | 0 | 109.6 | T2297 R2298 G2307 V2311 D2582 L2584 | T2297-L2309 CarbonylContact C-O 3.53Å; T2297-L2309 WeakPolarHBondContact CA-O 3.41Å; R2298-L2309 HydrophobicContact CB-CB 4.48Å; R2298-L2309 PolarHBondContact N-O 2.95Å; R2298-L2309 PolarHBondContact O-N 2.94Å; G2307-L2309 PolarHBondContact O-N 3Å; L2309-V2311 HydrophobicContact CD2-CG2 4.03Å; L2309-V2311 HydrophobicContact CG-CG2 3.98Å; L2309-D2582 CarbonylContact C-O 3.55Å; L2309-D2582 WeakPolarHBondContact CA-O 3.37Å; L2309-D2582 HydrophobicContact CD1-CB 4.12Å; L2309-L2584 HydrophobicContact CD1-CB 4.29Å |
| 2310 | W | 86.2 | Confident | 74.1 | Confident | 99 Ų | 99 | 74.7 Ų | 74.7 | 38% | 0.375 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.2 | 169.3 | -178.5 | 33 | 0 | 0 | 0 | 109.9 | S2295 L2312 V2581 D2582 F2583 L2584 | S2295-W2310 PolarHBondContact OG-NE1 2.9Å; W2310-L2312 HydrophobicContact CH2-CD2 4.43Å; W2310-L2312 HydrophobicContact CZ2-CD2 4.24Å; W2310-V2581 HydrophobicContact CB-CG1 3.93Å; W2310-D2582 PolarHBondContact N-O 2.96Å; W2310-F2583 HydrophobicContact CB-CD2 4.19Å; W2310-F2583 AromaticContact CD2-CD2 3.77Å; W2310-F2583 HydrophobicContact CD2-CD2 3.77Å; W2310-F2583 AromaticContact CD2-CE2 3.68Å; W2310-F2583 HydrophobicContact CD2-CE2 3.68Å; W2310-F2583 AromaticContact CE3-CD2 3.37Å; W2310-F2583 HydrophobicContact CE3-CD2 3.37Å; W2310-F2583 VanDerWaalsContact CE3-CD2 3.45Å; W2310-F2583 AromaticContact CE3-CE2 3.37Å; W2310-F2583 HydrophobicContact CE3-CE2 3.37Å; W2310-F2583 VanDerWaalsContact CE3-CE2 3.42Å; W2310-F2583 HydrophobicContact CE3-CG 4.38Å; W2310-F2583 HydrophobicContact CE3-CZ 4.36Å; W2310-F2583 HydrophobicContact CG-CD2 4.14Å; W2310-F2583 HydrophobicContact CG-CE2 4.34Å; W2310-F2583 HydrophobicContact CH2-CE2 4.11Å; W2310-F2583 HydrophobicContact CH2-CZ 4.46Å; W2310-F2583 HydrophobicContact CZ2-CE2 4.33Å; W2310-F2583 AromaticContact CZ3-CD2 3.95Å; W2310-F2583 HydrophobicContact CZ3-CD2 4Å; W2310-F2583 AromaticContact CZ3-CE2 3.6Å; W2310-F2583 HydrophobicContact CZ3-CE2 3.6Å; W2310-F2583 HydrophobicContact CZ3-CZ 4.2Å; W2310-F2583 WeakPolarHBondContact O-CA 3.39Å; W2310-F2583 WeakPolarHBondContact O-CD2 3.24Å; W2310-L2584 PolarHBondContact O-N 2.97Å |
| 2311 | V | 88.6 | Confident | 75.8 | Confident | 28.8 Ų | 28.8 | 73 Ų | 73 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.8 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | S2295 E2296 L2309 L2584 | S2295-V2311 CarbonylContact C-O 3.49Å; S2295-V2311 WeakPolarHBondContact CA-O 3.31Å; E2296-V2311 HydrophobicContact CB-CB 4.49Å; E2296-V2311 PolarHBondContact N-O 3.15Å; E2296-V2311 PolarHBondContact O-N 2.93Å; L2309-V2311 HydrophobicContact CD2-CG2 4.03Å; L2309-V2311 HydrophobicContact CG-CG2 3.98Å; V2311-L2584 CarbonylContact C-O 3.53Å; V2311-L2584 WeakPolarHBondContact CA-O 3.37Å; V2311-L2584 HydrophobicContact CG1-CD2 4.32Å; V2311-L2584 HydrophobicContact CG2-CB 4.42Å |
| 2312 | L | 91.8 | Very high | 77.8 | Confident | 28.6 Ų | 28.6 | 68 Ų | 68 | 15% | 0.15 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 117.5 | 175.4 | 179.8 | 58.5 | 0 | 0 | 0 | 109.2 | I2293 C2294 W2310 I2314 F2583 L2584 L2585 D2586 | I2293-L2312 HydrophobicContact CG2-CD1 4.03Å; C2294-L2312 CarbonylContact O-C 3.55Å; C2294-L2312 WeakPolarHBondContact O-CA 3.42Å; W2310-L2312 HydrophobicContact CH2-CD2 4.43Å; W2310-L2312 HydrophobicContact CZ2-CD2 4.24Å; L2312-I2314 HydrophobicContact CD1-CD1 4.46Å; L2312-I2314 HydrophobicContact CD1-CG1 4.22Å; L2312-I2314 HydrophobicContact CD2-CD1 4.2Å; L2312-I2314 HydrophobicContact CG-CD1 4.21Å; L2312-I2314 HydrophobicContact CG-CG1 4.14Å; L2312-F2583 HydrophobicContact CB-CE2 4.01Å; L2312-F2583 HydrophobicContact CB-CZ 4.33Å; L2312-F2583 HydrophobicContact CD2-CE2 4.44Å; L2312-F2583 HydrophobicContact CD2-CZ 4.26Å; L2312-L2584 PolarHBondContact N-O 3.12Å; L2312-L2585 HydrophobicContact CB-CD1 4.22Å; L2312-L2585 HydrophobicContact CD2-CD1 4.02Å; L2312-L2585 HydrophobicContact CG-CD1 3.94Å; L2312-L2585 CarbonylContact O-C 3.5Å; L2312-L2585 VanDerWaalsContact O-CA 3.27Å; L2312-L2585 WeakPolarHBondContact O-CA 3.37Å; L2312-D2586 PolarHBondContact O-N 3.04Å |
| 2313 | N | 92.6 | Very high | 80 | Confident | 46.4 Ų | 46.4 | 62.7 Ų | 62.7 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.7 | 174.6 | -175.9 | -8 | 0 | 0 | 0 | 108.9 | I2293 C2294 D2586 | I2293-N2313 CarbonylContact C-O 3.52Å; I2293-N2313 VanDerWaalsContact CA-O 3.3Å; I2293-N2313 WeakPolarHBondContact CA-O 3.38Å; C2294-N2313 HydrophobicContact CB-CB 4.42Å; C2294-N2313 PolarHBondContact N-O 3.17Å; C2294-N2313 PolarHBondContact O-N 3.17Å; N2313-D2586 CarbonylContact C-O 3.51Å; N2313-D2586 VanDerWaalsContact CA-O 3.28Å; N2313-D2586 WeakPolarHBondContact CA-O 3.37Å; N2313-D2586 HydrophobicContact CB-CB 4.21Å |
| 2314 | I | 93.8 | Very high | 82 | Confident | 40.8 Ų | 40.8 | 53.7 Ų | 53.7 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 118.2 | -179.8 | -57.8 | 175.9 | 0 | 0 | 0 | 107.7 | D2292 I2293 L2312 L2585 D2586 F2587 R2588 | D2292-I2314 CarbonylContact O-C 3.56Å; D2292-I2314 WeakPolarHBondContact O-CA 3.34Å; I2293-I2314 HydrophobicContact CG1-CG1 4.3Å; I2293-I2314 HydrophobicContact CG1-CG2 4.23Å; I2293-I2314 HydrophobicContact CG2-CG1 4.42Å; L2312-I2314 HydrophobicContact CD1-CD1 4.46Å; L2312-I2314 HydrophobicContact CD1-CG1 4.22Å; L2312-I2314 HydrophobicContact CD2-CD1 4.2Å; L2312-I2314 HydrophobicContact CG-CD1 4.21Å; L2312-I2314 HydrophobicContact CG-CG1 4.14Å; I2314-L2585 HydrophobicContact CD1-CD1 4.22Å; I2314-L2585 HydrophobicContact CG1-CD1 4.41Å; I2314-D2586 PolarHBondContact N-O 2.98Å; I2314-F2587 HydrophobicContact CB-CD2 3.93Å; I2314-F2587 HydrophobicContact CB-CE2 4.46Å; I2314-F2587 HydrophobicContact CD1-CD2 4.44Å; I2314-F2587 HydrophobicContact CG2-CD2 3.81Å; I2314-F2587 HydrophobicContact CG2-CE2 4.01Å; I2314-F2587 CarbonylContact O-C 3.49Å; I2314-F2587 VanDerWaalsContact O-CA 3.31Å; I2314-F2587 WeakPolarHBondContact O-CA 3.36Å; I2314-R2588 PolarHBondContact O-N 3.04Å |
| 2315 | M | 93.8 | Very high | 83.8 | Confident | 72.6 Ų | 72.6 | 49.4 Ų | 49.4 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.8 | 172.1 | -95.8 | -172 | -57.4 | 0 | 0 | 109.6 | Y2291 D2292 R2588 | Y2291-M2315 CarbonylContact C-O 3.53Å; Y2291-M2315 VanDerWaalsContact CA-O 3.23Å; Y2291-M2315 WeakPolarHBondContact CA-O 3.28Å; D2292-M2315 HydrophobicContact CB-CB 4.37Å; D2292-M2315 HydrophobicContact CB-CE 4.03Å; D2292-M2315 PolarHBondContact N-O 3.2Å; D2292-M2315 PolarHBondContact O-N 2.97Å; M2315-R2588 CarbonylContact C-O 3.54Å; M2315-R2588 VanDerWaalsContact CA-O 3.29Å; M2315-R2588 WeakPolarHBondContact CA-O 3.33Å; M2315-R2588 HydrophobicContact CB-CB 4.47Å; M2315-R2588 HydrophobicContact CG-CB 4.23Å; M2315-R2588 HydrophobicContact CG-CG 4.41Å |
| 2316 | W | 92.2 | Very high | 85.5 | Confident | 98.6 Ų | 98.6 | 46.3 Ų | 46.3 | 37% | 0.373 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 121.3 | 178.9 | -162.4 | 0.9 | 0 | 0 | 0 | 109.3 | F2250 I2318 R2588 V2589 H2590 | F2250-W2316 AromaticContact CE1-CD1 3.92Å; F2250-W2316 AromaticContact CE1-NE1 3.23Å; F2250-W2316 VanDerWaalsContact CE1-NE1 3.28Å; F2250-W2316 AromaticContact CZ-CD1 3.99Å; F2250-W2316 AromaticContact CZ-CE2 3.95Å; F2250-W2316 HydrophobicContact CZ-CZ2 4.31Å; F2250-W2316 AromaticContact CZ-NE1 3.21Å; F2250-W2316 VanDerWaalsContact CZ-NE1 3.31Å; W2316-I2318 HydrophobicContact CD2-CD1 4.26Å; W2316-I2318 HydrophobicContact CD2-CG1 4.48Å; W2316-I2318 HydrophobicContact CG-CG1 4.43Å; W2316-I2318 HydrophobicContact CZ2-CD1 4.18Å; W2316-R2588 PolarHBondContact N-O 3.06Å; W2316-V2589 HydrophobicContact CB-CG2 4.36Å; W2316-V2589 HydrophobicContact CE3-CG2 4.45Å; W2316-V2589 CarbonylContact O-C 3.53Å; W2316-V2589 VanDerWaalsContact O-CA 3.29Å; W2316-V2589 WeakPolarHBondContact O-CA 3.26Å; W2316-H2590 PolarHBondContact O-N 2.81Å |
| 2317 | N | 92.4 | Very high | 86.8 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.3 | 174.9 | -155.1 | 6.5 | 0 | 0 | 0 | 109.8 | G2289 T2290 H2590 | G2289-N2317 CarbonylContact C-O 3.53Å; G2289-N2317 WeakPolarHBondContact CA-O 3.26Å; T2290-N2317 PolarHBondContact N-O 3.02Å; T2290-N2317 PolarHBondContact O-N 3.13Å; N2317-H2590 CarbonylContact C-O 3.55Å; N2317-H2590 WeakPolarHBondContact CA-O 3.31Å; N2317-H2590 PolarHBondContact OD1-CD2 2.92Å; N2317-H2590 PolarHBondContact OD1-O 3.36Å |
| 2318 | I | 90.5 | Very high | 87.8 | Confident | 14.2 Ų | 14.2 | 42.9 Ų | 42.9 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.7 | -173.4 | -66.6 | 174.3 | 0 | 0 | 0 | 108.4 | V2286 W2316 L2321 V2589 H2590 V2591 E2592 | V2286-I2318 HydrophobicContact CG1-CG2 3.82Å; V2286-I2318 HydrophobicContact CG2-CG2 4.13Å; W2316-I2318 HydrophobicContact CD2-CD1 4.26Å; W2316-I2318 HydrophobicContact CD2-CG1 4.48Å; W2316-I2318 HydrophobicContact CG-CG1 4.43Å; W2316-I2318 HydrophobicContact CZ2-CD1 4.18Å; I2318-L2321 HydrophobicContact CG2-CB 4.41Å; I2318-L2321 HydrophobicContact CG2-CD1 4.02Å; I2318-V2589 HydrophobicContact CD1-CG1 4.42Å; I2318-H2590 PolarHBondContact N-O 3.11Å; I2318-V2591 HydrophobicContact CB-CB 4.49Å; I2318-V2591 HydrophobicContact CB-CG1 4.41Å; I2318-V2591 HydrophobicContact CB-CG2 4.26Å; I2318-V2591 HydrophobicContact CD1-CG2 4.29Å; I2318-V2591 HydrophobicContact CG2-CG1 4.09Å; I2318-V2591 HydrophobicContact CG2-CG2 4.46Å; I2318-V2591 WeakPolarHBondContact O-CA 3.28Å; I2318-E2592 PolarHBondContact O-N 2.79Å |
| 2319 | K | 86.9 | Confident | 88.4 | Confident | 77.2 Ų | 77.2 | 43 Ų | 43 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 109.7 | 178.8 | -61.5 | -172.3 | 175.1 | -154.8 | 0 | 109.7 | T2287 E2288 E2592 | T2287-K2319 PolarHBondContact OG1-O 3.2Å; E2288-K2319 HydrophobicContact CB-CB 4.25Å; E2288-K2319 PolarHBondContact N-O 3.37Å; E2288-K2319 VanDerWaalsContact N-O 3.12Å; E2288-K2319 CarbonylContact O-C 3.54Å; E2288-K2319 WeakPolarHBondContact O-CA 3.38Å; E2288-K2319 WeakPolarHBondContact O-CB 3.28Å; E2288-K2319 PolarHBondContact O-N 3.2Å; E2288-K2319 VanDerWaalsContact O-O 3.09Å; E2288-K2319 WeakPolarHBondContact OE1-CE 3.23Å; E2288-K2319 IonicContact OE1-NZ 2.79Å; E2288-K2319 PolarHBondContact OE1-NZ 3.17Å; E2288-K2319 IonicContact OE2-NZ 3.58Å; K2319-E2592 WeakPolarHBondContact CD-OE2 3.26Å; K2319-E2592 VanDerWaalsContact CE-OE2 3.32Å; K2319-E2592 WeakPolarHBondContact CE-OE2 3.38Å; K2319-E2592 WeakPolarHBondContact CG-OE2 3.36Å; K2319-E2592 IonicContact NZ-OE1 3.07Å; K2319-E2592 PolarHBondContact NZ-OE1 3.42Å; K2319-E2592 IonicContact NZ-OE2 3.17Å; K2319-E2592 PolarHBondContact NZ-OE2 2.93Å |
| 2320 | G | 84.6 | Confident | 88.5 | Confident | 10.8 Ų | 10.8 | 43.8 Ų | 43.8 | 11% | 0.111 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.7 | 110.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2286 T2287 S2593 | V2286-G2320 VanDerWaalsContact CA-O 3.3Å; V2286-G2320 WeakPolarHBondContact CA-O 3.34Å; T2287-G2320 PolarHBondContact N-O 3.03Å; T2287-G2320 VanDerWaalsContact N-O 3.11Å; T2287-G2320 WeakPolarHBondContact OG1-CA 3.3Å; T2287-G2320 PolarHBondContact OG1-O 3.09Å; G2320-S2593 CarbonylContact C-O 3.48Å; G2320-S2593 VanDerWaalsContact CA-O 3.31Å; G2320-S2593 WeakPolarHBondContact CA-O 3.37Å; G2320-S2593 PolarHBondContact N-O 3.27Å |
| 2321 | L | 88.4 | Confident | 88.3 | Confident | 29.8 Ų | 29.8 | 41.1 Ų | 41.1 | 16% | 0.156 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 97.7 | 176 | -178.5 | 66.9 | 0 | 0 | 0 | 110 | W2284 L2285 V2286 I2318 M2323 V2591 S2593 G2594 R2595 L2650 | W2284-L2321 HydrophobicContact CZ2-CD1 3.94Å; L2285-L2321 CarbonylContact O-C 3.5Å; L2285-L2321 WeakPolarHBondContact O-CA 3.39Å; V2286-L2321 HydrophobicContact CG2-CD1 3.71Å; I2318-L2321 HydrophobicContact CG2-CB 4.41Å; I2318-L2321 HydrophobicContact CG2-CD1 4.02Å; L2321-M2323 HydrophobicContact CD1-CG 4.35Å; L2321-M2323 HydrophobicContact CD2-CE 3.94Å; L2321-M2323 HydrophobicContact CD2-SD 4.28Å; L2321-M2323 HydrophobicContact CG-CE 4.28Å; L2321-M2323 HydrophobicContact CG-CG 4.14Å; L2321-M2323 HydrophobicContact CG-SD 4.45Å; L2321-V2591 HydrophobicContact CB-CG1 4.21Å; L2321-V2591 HydrophobicContact CD2-CG1 4.2Å; L2321-S2593 WeakPolarHBondContact CB-O 3.41Å; L2321-S2593 PolarHBondContact N-O 3.06Å; L2321-S2593 VanDerWaalsContact N-O 3.08Å; L2321-G2594 CarbonylContact O-C 3.55Å; L2321-G2594 VanDerWaalsContact O-C 3.32Å; L2321-G2594 WeakPolarHBondContact O-CA 3.38Å; L2321-R2595 PolarHBondContact O-N 2.99Å; L2321-L2650 HydrophobicContact CD2-CD1 4.17Å; L2321-L2650 HydrophobicContact CG-CD1 4.37Å |
| 2322 | D | 87.5 | Confident | 88.2 | Confident | 27.2 Ų | 27.2 | 40 Ų | 40 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125 | 178.8 | -76.1 | -19.8 | 0 | 0 | 0 | 110.5 | W2284 L2285 R2595 | W2284-D2322 CarbonylContact C-O 3.53Å; W2284-D2322 WeakPolarHBondContact CA-O 3.22Å; L2285-D2322 HydrophobicContact CB-CB 4.21Å; L2285-D2322 HydrophobicContact CD2-CB 4.39Å; L2285-D2322 HydrophobicContact CG-CB 4.45Å; L2285-D2322 PolarHBondContact N-O 2.98Å; L2285-D2322 PolarHBondContact O-N 3.18Å; D2322-R2595 CarbonylContact C-O 3.52Å; D2322-R2595 WeakPolarHBondContact CA-O 3.27Å; D2322-R2595 HydrophobicContact CB-CG 4.22Å; D2322-R2595 WeakPolarHBondContact OD1-CD 3.39Å; D2322-R2595 WeakPolarHBondContact OD1-CG 3.28Å; D2322-R2595 IonicContact OD1-CZ 3.08Å; D2322-R2595 IonicContact OD1-NE 2.97Å; D2322-R2595 PolarHBondContact OD1-NE 3.07Å; D2322-R2595 IonicContact OD1-NH2 3.5Å; D2322-R2595 PolarHBondContact OD1-NH2 2.86Å; D2322-R2595 IonicContact OD2-CZ 3.92Å; D2322-R2595 IonicContact OD2-NE 2.94Å; D2322-R2595 PolarHBondContact OD2-NE 3.34Å; D2322-R2595 IonicContact OD2-NH2 3.5Å; D2322-R2595 PolarHBondContact OD2-NH2 2.85Å |
| 2323 | M | 89.1 | Confident | 87.8 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 20% | 0.202 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.2 | 178.9 | -47.6 | -177.2 | 92.3 | 0 | 0 | 109.3 | A2283 W2284 L2321 F2325 R2595 C2596 T2597 L2650 | A2283-M2323 CarbonylContact O-C 3.56Å; A2283-M2323 WeakPolarHBondContact O-CA 3.08Å; W2284-M2323 HydrophobicContact CB-CE 4.48Å; W2284-M2323 VanDerWaalsContact CD1-CE 3.44Å; W2284-M2323 HydrophobicContact CD2-CE 4.43Å; W2284-M2323 HydrophobicContact CG-CE 4.08Å; W2284-M2323 HydrophobicContact CG-CG 4.43Å; W2284-M2323 HydrophobicContact CH2-CE 4.36Å; W2284-M2323 HydrophobicContact CZ2-CE 3.51Å; L2321-M2323 HydrophobicContact CD1-CG 4.35Å; L2321-M2323 HydrophobicContact CD2-CE 3.94Å; L2321-M2323 HydrophobicContact CD2-SD 4.28Å; L2321-M2323 HydrophobicContact CG-CE 4.28Å; L2321-M2323 HydrophobicContact CG-CG 4.14Å; L2321-M2323 HydrophobicContact CG-SD 4.45Å; M2323-F2325 HydrophobicContact CB-CD2 4.41Å; M2323-F2325 HydrophobicContact CB-CE2 3.81Å; M2323-F2325 HydrophobicContact CB-CZ 3.97Å; M2323-F2325 HydrophobicContact CE-CE2 4.47Å; M2323-F2325 HydrophobicContact CE-CZ 3.78Å; M2323-F2325 HydrophobicContact SD-CE2 4.31Å; M2323-F2325 HydrophobicContact SD-CZ 4.14Å; M2323-R2595 PolarHBondContact N-O 3.38Å; M2323-C2596 HydrophobicContact CB-CB 4.43Å; M2323-C2596 CarbonylContact O-C 3.5Å; M2323-C2596 WeakPolarHBondContact O-CA 3.3Å; M2323-C2596 VanDerWaalsContact SD-SG 3.65Å; M2323-T2597 PolarHBondContact O-N 3.07Å; M2323-T2597 PolarHBondContact O-OG1 3.46Å; M2323-L2650 HydrophobicContact CG-CD1 4.45Å; M2323-L2650 HydrophobicContact SD-CD1 4.1Å |
| 2324 | H | 88 | Confident | 87.4 | Confident | 19.8 Ų | 19.8 | 40.8 Ų | 40.8 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.2 | 177 | -67.7 | -93.8 | 0 | 0 | 0 | 109.2 | F2278 M2281 N2282 A2283 T2597 | F2278-H2324 WeakPolarHBondContact O-CB 3.48Å; M2281-H2324 WeakPolarHBondContact O-CB 3.49Å; N2282-H2324 CarbonylContact C-O 3.57Å; N2282-H2324 WeakPolarHBondContact CA-O 3.38Å; A2283-H2324 HydrophobicContact CB-CB 4.37Å; A2283-H2324 PolarHBondContact N-O 3.29Å; A2283-H2324 VanDerWaalsContact N-O 3.08Å; A2283-H2324 PolarHBondContact O-N 2.93Å; A2283-H2324 VanDerWaalsContact O-O 3.09Å; H2324-T2597 WeakPolarHBondContact CA-O 3.45Å; H2324-T2597 WeakPolarHBondContact CA-OG1 3.14Å; H2324-T2597 PolarHBondContact CE1-OG1 2.74Å; H2324-T2597 PolarHBondContact ND1-OG1 2.79Å |
| 2325 | F | 88.1 | Confident | 86.9 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 17% | 0.167 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.2 | -177.6 | -62.7 | -63.3 | 0 | 0 | 0 | 110.8 | N2282 W2284 M2323 I2329 C2596 T2597 F2598 E2599 F2710 | N2282-F2325 WeakPolarHBondContact OD1-CA 3.42Å; W2284-F2325 AromaticContact CD1-CZ 3.75Å; W2284-F2325 HydrophobicContact CZ2-CE1 4.35Å; W2284-F2325 AromaticContact NE1-CE1 3.42Å; W2284-F2325 VanDerWaalsContact NE1-CE1 3.33Å; W2284-F2325 AromaticContact NE1-CE2 3.76Å; W2284-F2325 AromaticContact NE1-CZ 3.5Å; M2323-F2325 HydrophobicContact CB-CD2 4.41Å; M2323-F2325 HydrophobicContact CB-CE2 3.81Å; M2323-F2325 HydrophobicContact CB-CZ 3.97Å; M2323-F2325 HydrophobicContact CE-CE2 4.47Å; M2323-F2325 HydrophobicContact CE-CZ 3.78Å; M2323-F2325 HydrophobicContact SD-CE2 4.31Å; M2323-F2325 HydrophobicContact SD-CZ 4.14Å; F2325-I2329 HydrophobicContact CD1-CB 4.36Å; F2325-I2329 HydrophobicContact CD1-CD1 4Å; F2325-I2329 HydrophobicContact CD1-CG1 3.82Å; F2325-I2329 HydrophobicContact CE1-CD1 4.21Å; F2325-I2329 HydrophobicContact CE1-CG1 4.2Å; F2325-I2329 HydrophobicContact CG-CG1 4.4Å; F2325-C2596 HydrophobicContact CE2-CB 4.36Å; F2325-T2597 PolarHBondContact N-O 2.85Å; F2325-F2598 HydrophobicContact CB-CD1 3.96Å; F2325-F2598 HydrophobicContact CB-CE1 4.28Å; F2325-F2598 AromaticContact CD2-CD1 3.98Å; F2325-F2598 HydrophobicContact CD2-CD1 4.02Å; F2325-F2598 AromaticContact CD2-CE1 3.57Å; F2325-F2598 HydrophobicContact CD2-CE1 3.57Å; F2325-F2598 AromaticContact CD2-CZ 3.92Å; F2325-F2598 HydrophobicContact CD2-CZ 3.98Å; F2325-F2598 HydrophobicContact CE2-CE1 4.26Å; F2325-F2598 HydrophobicContact CE2-CZ 4.35Å; F2325-F2598 HydrophobicContact CG-CD1 4.4Å; F2325-F2598 HydrophobicContact CG-CE1 4.24Å; F2325-F2598 CarbonylContact O-C 3.54Å; F2325-F2598 WeakPolarHBondContact O-CA 3.38Å; F2325-E2599 PolarHBondContact O-N 3.01Å; F2325-F2710 HydrophobicContact CB-CZ 4.06Å; F2325-F2710 WeakPolarHBondContact O-CE2 3.34Å |
| 2326 | N | 85.3 | Confident | 86.5 | Confident | 4.6 Ų | 4.6 | 37.3 Ų | 37.3 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 167.1 | 167.7 | 114.4 | 29.6 | 0 | 0 | 0 | 109.8 | E2259 K2280 N2282 K2328 I2329 E2599 Q2601 F2710 | E2259-N2326 PolarHBondContact OE1-ND2 3.33Å; K2280-N2326 PolarHBondContact O-ND2 2.88Å; N2282-N2326 PolarHBondContact ND2-ND2 2.75Å; N2282-N2326 PolarHBondContact ND2-OD1 3Å; N2282-N2326 PolarHBondContact OD1-N 3.02Å; N2282-N2326 PolarHBondContact OD1-O 2.88Å; N2282-N2326 PolarHBondContact OD1-OD1 2.93Å; N2326-K2328 PolarHBondContact O-N 2.89Å; N2326-K2328 VanDerWaalsContact O-N 3.09Å; N2326-K2328 WeakPolarHBondContact OD1-CA 3.4Å; N2326-K2328 VanDerWaalsContact OD1-CB 3.24Å; N2326-K2328 WeakPolarHBondContact OD1-CB 3.45Å; N2326-K2328 PolarHBondContact OD1-N 3.05Å; N2326-I2329 WeakPolarHBondContact O-CB 3.36Å; N2326-I2329 VanDerWaalsContact O-CG2 3.3Å; N2326-I2329 WeakPolarHBondContact O-CG2 3.35Å; N2326-I2329 PolarHBondContact O-N 2.97Å; N2326-I2329 VanDerWaalsContact O-N 3.14Å; N2326-E2599 WeakPolarHBondContact CA-O 3.43Å; N2326-Q2601 VanDerWaalsContact CG-CD 3.47Å; N2326-Q2601 PolarHBondContact ND2-NE2 3.06Å; N2326-Q2601 VanDerWaalsContact ND2-NE2 3.18Å; N2326-Q2601 PolarHBondContact ND2-OE1 3.09Å; N2326-Q2601 VanDerWaalsContact OD1-CD 3.28Å; N2326-Q2601 VanDerWaalsContact OD1-CG 3.27Å; N2326-Q2601 WeakPolarHBondContact OD1-CG 3.34Å; N2326-Q2601 PolarHBondContact OD1-OE1 2.93Å; N2326-F2710 VanDerWaalsContact C-CE2 3.47Å; N2326-F2710 WeakPolarHBondContact O-CZ 3.45Å |
| 2327 | T | 83.7 | Confident | 86 | Confident | 19.6 Ų | 19.6 | 36.1 Ų | 36.1 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.8 | -175.9 | 49.7 | 0 | 0 | 0 | 0 | 114 | I2329 F2710 E2713 A2714 I2717 | T2327-I2329 VanDerWaalsContact C-N 3.32Å; T2327-I2329 PolarHBondContact O-N 3.01Å; T2327-F2710 HydrophobicContact CG2-CD2 3.69Å; T2327-F2710 HydrophobicContact CG2-CE2 3.9Å; T2327-F2710 HydrophobicContact CG2-CG 4.26Å; T2327-E2713 VanDerWaalsContact CB-OE1 3.25Å; T2327-E2713 WeakPolarHBondContact CB-OE1 3.18Å; T2327-E2713 HydrophobicContact CG2-CB 4.12Å; T2327-E2713 HydrophobicContact CG2-CG 4.11Å; T2327-E2713 VanDerWaalsContact CG2-OE1 3.27Å; T2327-E2713 WeakPolarHBondContact CG2-OE1 3.35Å; T2327-E2713 PolarHBondContact OG1-OE1 2.91Å; T2327-A2714 VanDerWaalsContact O-CA 3.23Å; T2327-A2714 WeakPolarHBondContact O-CA 3.25Å; T2327-A2714 WeakPolarHBondContact O-CB 3.38Å; T2327-I2717 WeakPolarHBondContact OG1-CD1 3.32Å |
| 2328 | K | 83.9 | Confident | 85.2 | Confident | 72.6 Ų | 72.6 | 39.3 Ų | 39.3 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -7.3 | 175.5 | -60.3 | 167 | 178.1 | 166.9 | 0 | 114.5 | E2259 N2326 I2330 H2331 L2332 I2717 | E2259-K2328 VanDerWaalsContact CD-CD 3.47Å; E2259-K2328 VanDerWaalsContact OE1-CD 3.26Å; E2259-K2328 WeakPolarHBondContact OE1-CD 3.24Å; E2259-K2328 IonicContact OE1-NZ 3.28Å; E2259-K2328 VanDerWaalsContact OE2-CD 3.23Å; E2259-K2328 WeakPolarHBondContact OE2-CD 3.19Å; E2259-K2328 WeakPolarHBondContact OE2-CE 3.41Å; E2259-K2328 IonicContact OE2-NZ 3.21Å; E2259-K2328 PolarHBondContact OE2-NZ 2.92Å; N2326-K2328 PolarHBondContact O-N 2.89Å; N2326-K2328 VanDerWaalsContact O-N 3.09Å; N2326-K2328 WeakPolarHBondContact OD1-CA 3.4Å; N2326-K2328 VanDerWaalsContact OD1-CB 3.24Å; N2326-K2328 WeakPolarHBondContact OD1-CB 3.45Å; N2326-K2328 PolarHBondContact OD1-N 3.05Å; K2328-I2330 VanDerWaalsContact C-N 3.28Å; K2328-I2330 PolarHBondContact O-N 3.03Å; K2328-I2330 VanDerWaalsContact O-N 3.15Å; K2328-H2331 WeakPolarHBondContact O-CA 3.44Å; K2328-H2331 WeakPolarHBondContact O-CB 3.38Å; K2328-H2331 PolarHBondContact O-N 3.13Å; K2328-L2332 HydrophobicContact CB-CD1 4.23Å; K2328-L2332 HydrophobicContact CB-CG 4.48Å; K2328-L2332 PolarHBondContact O-N 3.19Å; K2328-L2332 VanDerWaalsContact O-N 3.09Å; K2328-I2717 HydrophobicContact CG-CD1 4.24Å |
| 2329 | I | 86.4 | Confident | 84.7 | Confident | 31.8 Ų | 31.8 | 38.9 Ų | 38.9 | 16% | 0.163 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.3 | -41.9 | -177.2 | -173.9 | 60.5 | 0 | 0 | 0 | 113.2 | F2257 N2282 F2325 N2326 T2327 H2331 L2332 A2333 F2710 | F2257-I2329 HydrophobicContact CD2-CD1 4.24Å; F2257-I2329 HydrophobicContact CE2-CD1 4.22Å; N2282-I2329 HydrophobicContact CB-CD1 4.09Å; N2282-I2329 WeakPolarHBondContact OD1-CB 3.32Å; F2325-I2329 HydrophobicContact CD1-CB 4.36Å; F2325-I2329 HydrophobicContact CD1-CD1 4Å; F2325-I2329 HydrophobicContact CD1-CG1 3.82Å; F2325-I2329 HydrophobicContact CE1-CD1 4.21Å; F2325-I2329 HydrophobicContact CE1-CG1 4.2Å; F2325-I2329 HydrophobicContact CG-CG1 4.4Å; N2326-I2329 WeakPolarHBondContact O-CB 3.36Å; N2326-I2329 VanDerWaalsContact O-CG2 3.3Å; N2326-I2329 WeakPolarHBondContact O-CG2 3.35Å; N2326-I2329 PolarHBondContact O-N 2.97Å; N2326-I2329 VanDerWaalsContact O-N 3.14Å; T2327-I2329 VanDerWaalsContact C-N 3.32Å; T2327-I2329 PolarHBondContact O-N 3.01Å; I2329-H2331 VanDerWaalsContact C-N 3.32Å; I2329-H2331 PolarHBondContact O-N 3.31Å; I2329-L2332 PolarHBondContact O-N 3.14Å; I2329-A2333 VanDerWaalsContact O-CB 3.28Å; I2329-A2333 WeakPolarHBondContact O-CB 3.34Å; I2329-A2333 PolarHBondContact O-N 3.13Å; I2329-F2710 HydrophobicContact CG2-CZ 4.33Å |
| 2330 | I | 83.8 | Confident | 84.4 | Confident | 74.4 Ų | 74.4 | 40 Ų | 40 | 38% | 0.382 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.6 | -38.7 | -179.6 | -58.4 | -177.3 | 0 | 0 | 0 | 110.7 | K2328 T2334 A2714 L2715 A2718 | K2328-I2330 VanDerWaalsContact C-N 3.28Å; K2328-I2330 PolarHBondContact O-N 3.03Å; K2328-I2330 VanDerWaalsContact O-N 3.15Å; I2330-T2334 VanDerWaalsContact O-CB 3.29Å; I2330-T2334 WeakPolarHBondContact O-CB 3.39Å; I2330-T2334 PolarHBondContact O-N 3.21Å; I2330-T2334 PolarHBondContact O-OG1 3.09Å; I2330-A2714 HydrophobicContact CD1-CB 3.76Å; I2330-A2714 HydrophobicContact CG1-CB 4.24Å; I2330-L2715 HydrophobicContact CD1-CD2 4.13Å; I2330-L2715 HydrophobicContact CD1-CG 4.43Å; I2330-A2718 HydrophobicContact CG2-CB 4.34Å |
| 2331 | H | 83.6 | Confident | 83.8 | Confident | 41.4 Ų | 41.4 | 43.6 Ų | 43.6 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -46.8 | 176.5 | 177.5 | 64.8 | 0 | 0 | 0 | 111.5 | E2210 K2328 I2329 A2333 T2334 V2335 I2717 R2721 | E2210-H2331 IonicContact OE1-NE2 3.68Å; K2328-H2331 WeakPolarHBondContact O-CA 3.44Å; K2328-H2331 WeakPolarHBondContact O-CB 3.38Å; K2328-H2331 PolarHBondContact O-N 3.13Å; I2329-H2331 VanDerWaalsContact C-N 3.32Å; I2329-H2331 PolarHBondContact O-N 3.31Å; H2331-A2333 PolarHBondContact O-N 3.47Å; H2331-T2334 CarbonylContact O-C 3.53Å; H2331-T2334 WeakPolarHBondContact O-CA 3.39Å; H2331-T2334 VanDerWaalsContact O-CB 3.31Å; H2331-T2334 WeakPolarHBondContact O-CB 3.41Å; H2331-T2334 PolarHBondContact O-N 3.03Å; H2331-T2334 VanDerWaalsContact O-N 3.11Å; H2331-V2335 WeakPolarHBondContact O-CG2 3.3Å; H2331-V2335 PolarHBondContact O-N 2.97Å; H2331-I2717 HydrophobicContact CB-CG2 4.1Å; H2331-R2721 PolarHBondContact NE2-NH1 3.34Å |
| 2332 | L | 84.7 | Confident | 83 | Confident | 6.2 Ų | 6.2 | 44.3 Ų | 44.3 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 178.9 | -69.1 | 164.1 | 0 | 0 | 0 | 111.9 | C2225 F2257 E2259 N2282 K2328 I2329 T2334 V2335 L2336 | C2225-L2332 HydrophobicContact CB-CD2 4.01Å; F2257-L2332 HydrophobicContact CB-CD1 3.83Å; F2257-L2332 HydrophobicContact CB-CD2 4.34Å; F2257-L2332 HydrophobicContact CB-CG 4.48Å; F2257-L2332 HydrophobicContact CD1-CB 3.96Å; F2257-L2332 HydrophobicContact CD1-CD1 4.43Å; F2257-L2332 HydrophobicContact CD1-CD2 4.21Å; F2257-L2332 HydrophobicContact CD1-CG 4.46Å; F2257-L2332 HydrophobicContact CD2-CB 4.29Å; F2257-L2332 HydrophobicContact CD2-CD1 4.37Å; F2257-L2332 HydrophobicContact CE1-CB 4.05Å; F2257-L2332 HydrophobicContact CE2-CB 4.37Å; F2257-L2332 HydrophobicContact CG-CB 4.1Å; F2257-L2332 HydrophobicContact CG-CD1 4.02Å; F2257-L2332 HydrophobicContact CG-CD2 4.39Å; F2257-L2332 HydrophobicContact CG-CG 4.42Å; F2257-L2332 HydrophobicContact CZ-CB 4.26Å; E2259-L2332 HydrophobicContact CG-CD1 4.27Å; E2259-L2332 HydrophobicContact CG-CD2 4.4Å; N2282-L2332 HydrophobicContact CB-CD1 4.3Å; N2282-L2332 VanDerWaalsContact ND2-CD1 3.27Å; N2282-L2332 WeakPolarHBondContact ND2-CD1 3.34Å; K2328-L2332 HydrophobicContact CB-CD1 4.23Å; K2328-L2332 HydrophobicContact CB-CG 4.48Å; K2328-L2332 PolarHBondContact O-N 3.19Å; K2328-L2332 VanDerWaalsContact O-N 3.09Å; I2329-L2332 PolarHBondContact O-N 3.14Å; L2332-T2334 VanDerWaalsContact C-N 3.28Å; L2332-T2334 PolarHBondContact O-N 3Å; L2332-V2335 PolarHBondContact O-N 2.94Å; L2332-V2335 VanDerWaalsContact O-N 3.14Å; L2332-L2336 WeakPolarHBondContact O-CB 3.27Å; L2332-L2336 PolarHBondContact O-N 3.14Å |
| 2333 | A | 84.9 | Confident | 82 | Confident | 39.8 Ų | 39.8 | 45.1 Ų | 45.1 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2329 H2331 L2336 C2337 | I2329-A2333 VanDerWaalsContact O-CB 3.28Å; I2329-A2333 WeakPolarHBondContact O-CB 3.34Å; I2329-A2333 PolarHBondContact O-N 3.13Å; H2331-A2333 PolarHBondContact O-N 3.47Å; A2333-L2336 PolarHBondContact O-N 3.03Å; A2333-C2337 VanDerWaalsContact O-CB 3.29Å; A2333-C2337 WeakPolarHBondContact O-CB 3.29Å; A2333-C2337 PolarHBondContact O-N 2.83Å; A2333-C2337 PolarHBondContact O-SG 3.17Å |
| 2334 | T | 82.8 | Confident | 80.7 | Confident | 50.4 Ų | 50.4 | 45.2 Ų | 45.2 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | I2330 H2331 L2332 C2337 R2338 | I2330-T2334 VanDerWaalsContact O-CB 3.29Å; I2330-T2334 WeakPolarHBondContact O-CB 3.39Å; I2330-T2334 PolarHBondContact O-N 3.21Å; I2330-T2334 PolarHBondContact O-OG1 3.09Å; H2331-T2334 CarbonylContact O-C 3.53Å; H2331-T2334 WeakPolarHBondContact O-CA 3.39Å; H2331-T2334 VanDerWaalsContact O-CB 3.31Å; H2331-T2334 WeakPolarHBondContact O-CB 3.41Å; H2331-T2334 PolarHBondContact O-N 3.03Å; H2331-T2334 VanDerWaalsContact O-N 3.11Å; L2332-T2334 VanDerWaalsContact C-N 3.28Å; L2332-T2334 PolarHBondContact O-N 3Å; T2334-C2337 PolarHBondContact O-N 2.96Å; T2334-R2338 HydrophobicContact CG2-CG 4.47Å; T2334-R2338 WeakPolarHBondContact O-CB 3.44Å; T2334-R2338 VanDerWaalsContact O-CG 3.28Å; T2334-R2338 WeakPolarHBondContact O-CG 3.3Å; T2334-R2338 PolarHBondContact O-N 3.03Å |
| 2335 | V | 83.8 | Confident | 79.2 | Confident | 2.4 Ų | 2.4 | 46.5 Ų | 46.5 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | C2208 C2225 H2331 L2332 R2338 T2339 | C2208-V2335 HydrophobicContact CB-CG1 3.84Å; C2225-V2335 VanDerWaalsContact SG-CG1 3.57Å; H2331-V2335 WeakPolarHBondContact O-CG2 3.3Å; H2331-V2335 PolarHBondContact O-N 2.97Å; L2332-V2335 PolarHBondContact O-N 2.94Å; L2332-V2335 VanDerWaalsContact O-N 3.14Å; V2335-R2338 PolarHBondContact O-N 3.06Å; V2335-T2339 WeakPolarHBondContact O-CB 3.33Å; V2335-T2339 PolarHBondContact O-N 2.99Å; V2335-T2339 PolarHBondContact O-OG1 2.97Å |
| 2336 | L | 85.4 | Confident | 77.4 | Confident | 39.4 Ų | 39.4 | 50.7 Ų | 50.7 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 170.8 | 179.9 | 64.9 | 0 | 0 | 0 | 111.1 | L2227 F2257 L2332 A2333 R2338 T2339 L2340 | L2227-L2336 HydrophobicContact CD2-CD1 4.08Å; L2227-L2336 HydrophobicContact CD2-CD2 4.07Å; F2257-L2336 HydrophobicContact CE1-CB 4.34Å; F2257-L2336 HydrophobicContact CE1-CD2 4.36Å; F2257-L2336 HydrophobicContact CZ-CB 4.44Å; F2257-L2336 HydrophobicContact CZ-CD2 4.15Å; L2332-L2336 WeakPolarHBondContact O-CB 3.27Å; L2332-L2336 PolarHBondContact O-N 3.14Å; A2333-L2336 PolarHBondContact O-N 3.03Å; L2336-R2338 VanDerWaalsContact C-N 3.31Å; L2336-R2338 PolarHBondContact O-N 2.92Å; L2336-T2339 WeakPolarHBondContact O-CA 3.37Å; L2336-T2339 WeakPolarHBondContact O-CB 3.35Å; L2336-T2339 PolarHBondContact O-N 3.1Å; L2336-T2339 VanDerWaalsContact O-N 3.1Å; L2336-L2340 HydrophobicContact CD1-CD1 4.29Å; L2336-L2340 HydrophobicContact CD1-CG 4.34Å; L2336-L2340 HydrophobicContact CG-CD1 4.12Å; L2336-L2340 HydrophobicContact CG-CG 4.49Å; L2336-L2340 WeakPolarHBondContact O-CG 3.38Å; L2336-L2340 PolarHBondContact O-N 3.21Å |
| 2337 | C | 81.9 | Confident | 75.7 | Confident | 73.4 Ų | 73.4 | 57.4 Ų | 57.4 | 50% | 0.496 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 176 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | A2333 T2334 T2339 L2340 T2341 | A2333-C2337 VanDerWaalsContact O-CB 3.29Å; A2333-C2337 WeakPolarHBondContact O-CB 3.29Å; A2333-C2337 PolarHBondContact O-N 2.83Å; A2333-C2337 PolarHBondContact O-SG 3.17Å; T2334-C2337 PolarHBondContact O-N 2.96Å; C2337-T2339 VanDerWaalsContact C-N 3.33Å; C2337-L2340 PolarHBondContact O-N 3.1Å; C2337-T2341 VanDerWaalsContact O-CB 3.29Å; C2337-T2341 WeakPolarHBondContact O-CB 3.27Å; C2337-T2341 PolarHBondContact O-N 3.03Å; C2337-T2341 PolarHBondContact O-OG1 3.16Å |
| 2338 | R | 76.5 | Confident | 73.7 | Confident | 111.4 Ų | 111.4 | 62.2 Ų | 62.2 | 42% | 0.42 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 172.7 | -76.9 | 173.3 | -177.4 | 158.9 | 2.1 | 112 | T2334 V2335 L2336 T2341 S2342 N2722 | T2334-R2338 HydrophobicContact CG2-CG 4.47Å; T2334-R2338 WeakPolarHBondContact O-CB 3.44Å; T2334-R2338 VanDerWaalsContact O-CG 3.28Å; T2334-R2338 WeakPolarHBondContact O-CG 3.3Å; T2334-R2338 PolarHBondContact O-N 3.03Å; V2335-R2338 PolarHBondContact O-N 3.06Å; L2336-R2338 VanDerWaalsContact C-N 3.31Å; L2336-R2338 PolarHBondContact O-N 2.92Å; R2338-T2341 CarbonylContact O-C 3.54Å; R2338-T2341 PolarHBondContact O-N 3.32Å; R2338-S2342 WeakPolarHBondContact O-CA 3.23Å; R2338-S2342 VanDerWaalsContact O-CB 3.31Å; R2338-S2342 WeakPolarHBondContact O-CB 3.43Å; R2338-S2342 PolarHBondContact O-N 2.93Å; R2338-S2342 PolarHBondContact O-OG 2.81Å; R2338-N2722 PolarHBondContact NH2-OD1 3.12Å; R2338-N2722 VanDerWaalsContact NH2-OD1 3.11Å |
| 2339 | T | 79.9 | Confident | 71.5 | Confident | 6.6 Ų | 6.6 | 65.6 Ų | 65.6 | 4% | 0.04 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.8 | -47.7 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | P2128 C2208 Y2209 V2335 L2336 C2337 T2341 S2342 L2343 | P2128-T2339 HydrophobicContact CB-CG2 4.29Å; P2128-T2339 HydrophobicContact CG-CG2 3.59Å; P2128-T2339 VanDerWaalsContact CG-CG2 3.46Å; C2208-T2339 WeakPolarHBondContact CA-OG1 3.34Å; C2208-T2339 HydrophobicContact CB-CG2 4.49Å; C2208-T2339 WeakPolarHBondContact CB-OG1 3.32Å; Y2209-T2339 HydrophobicContact CD2-CG2 4.17Å; Y2209-T2339 PolarHBondContact N-OG1 2.98Å; Y2209-T2339 VanDerWaalsContact N-OG1 3.11Å; V2335-T2339 WeakPolarHBondContact O-CB 3.33Å; V2335-T2339 PolarHBondContact O-N 2.99Å; V2335-T2339 PolarHBondContact O-OG1 2.97Å; L2336-T2339 WeakPolarHBondContact O-CA 3.37Å; L2336-T2339 WeakPolarHBondContact O-CB 3.35Å; L2336-T2339 PolarHBondContact O-N 3.1Å; L2336-T2339 VanDerWaalsContact O-N 3.1Å; C2337-T2339 VanDerWaalsContact C-N 3.33Å; T2339-T2341 VanDerWaalsContact C-N 3.3Å; T2339-T2341 PolarHBondContact O-N 3.15Å; T2339-S2342 CarbonylContact O-C 3.57Å; T2339-S2342 WeakPolarHBondContact O-CA 3.41Å; T2339-S2342 WeakPolarHBondContact O-CB 3.28Å; T2339-S2342 PolarHBondContact O-N 3.33Å; T2339-S2342 VanDerWaalsContact O-N 3.1Å; T2339-S2342 PolarHBondContact O-OG 2.86Å; T2339-L2343 WeakPolarHBondContact O-CG 3.47Å; T2339-L2343 PolarHBondContact O-N 3.22Å |
| 2340 | L | 79.3 | Confident | 69.3 | Low | 99.6 Ų | 99.6 | 70.1 Ų | 70.1 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 174.2 | -65.8 | 173.6 | 0 | 0 | 0 | 112.3 | L2336 C2337 L2343 A2344 | L2336-L2340 HydrophobicContact CD1-CD1 4.29Å; L2336-L2340 HydrophobicContact CD1-CG 4.34Å; L2336-L2340 HydrophobicContact CG-CD1 4.12Å; L2336-L2340 HydrophobicContact CG-CG 4.49Å; L2336-L2340 WeakPolarHBondContact O-CG 3.38Å; L2336-L2340 PolarHBondContact O-N 3.21Å; C2337-L2340 PolarHBondContact O-N 3.1Å; L2340-L2343 HydrophobicContact CD2-CD1 4.46Å; L2340-L2343 WeakPolarHBondContact O-CB 3.27Å; L2340-L2343 PolarHBondContact O-N 3.11Å; L2340-A2344 PolarHBondContact O-N 3.05Å |
| 2341 | T | 73.5 | Confident | 67 | Low | 86.4 Ų | 86.4 | 73.4 Ų | 73.4 | 53% | 0.53 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.1 | -32.4 | 174.7 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | C2337 R2338 T2339 L2343 A2344 S2345 | C2337-T2341 VanDerWaalsContact O-CB 3.29Å; C2337-T2341 WeakPolarHBondContact O-CB 3.27Å; C2337-T2341 PolarHBondContact O-N 3.03Å; C2337-T2341 PolarHBondContact O-OG1 3.16Å; R2338-T2341 CarbonylContact O-C 3.54Å; R2338-T2341 PolarHBondContact O-N 3.32Å; T2339-T2341 VanDerWaalsContact C-N 3.3Å; T2339-T2341 PolarHBondContact O-N 3.15Å; T2341-L2343 VanDerWaalsContact C-N 3.31Å; T2341-L2343 PolarHBondContact O-N 2.98Å; T2341-A2344 CarbonylContact O-C 3.52Å; T2341-A2344 VanDerWaalsContact O-C 3.31Å; T2341-A2344 VanDerWaalsContact O-CA 3.31Å; T2341-A2344 WeakPolarHBondContact O-CA 3.34Å; T2341-A2344 VanDerWaalsContact O-CB 3.25Å; T2341-A2344 WeakPolarHBondContact O-CB 3.47Å; T2341-A2344 PolarHBondContact O-N 3.03Å; T2341-S2345 WeakPolarHBondContact O-CB 3.32Å; T2341-S2345 PolarHBondContact O-N 3Å; T2341-S2345 PolarHBondContact O-OG 3.18Å |
| 2342 | S | 70.7 | Confident | 64.8 | Low | 43.8 Ų | 43.8 | 80.5 Ų | 80.5 | 31% | 0.306 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.1 | -28.9 | 174.5 | 145.8 | 0 | 0 | 0 | 0 | 112.5 | Y2209 R2338 T2339 A2344 S2345 R2434 | Y2209-S2342 WeakPolarHBondContact CD2-OG 3.28Å; R2338-S2342 WeakPolarHBondContact O-CA 3.23Å; R2338-S2342 VanDerWaalsContact O-CB 3.31Å; R2338-S2342 WeakPolarHBondContact O-CB 3.43Å; R2338-S2342 PolarHBondContact O-N 2.93Å; R2338-S2342 PolarHBondContact O-OG 2.81Å; T2339-S2342 CarbonylContact O-C 3.57Å; T2339-S2342 WeakPolarHBondContact O-CA 3.41Å; T2339-S2342 WeakPolarHBondContact O-CB 3.28Å; T2339-S2342 PolarHBondContact O-N 3.33Å; T2339-S2342 VanDerWaalsContact O-N 3.1Å; T2339-S2342 PolarHBondContact O-OG 2.86Å; S2342-A2344 VanDerWaalsContact C-N 3.31Å; S2342-A2344 PolarHBondContact O-N 3.2Å; S2342-S2345 WeakPolarHBondContact CA-OG 3.06Å; S2342-S2345 PolarHBondContact O-N 3.25Å; S2342-S2345 PolarHBondContact O-OG 3.14Å; S2342-R2434 PolarHBondContact O-NH2 2.96Å |
| 2343 | L | 67.4 | Low | 62.4 | Low | 44.6 Ų | 44.6 | 88.2 Ų | 88.2 | 23% | 0.234 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.6 | -19.1 | 166.8 | -71.8 | 166.4 | 0 | 0 | 0 | 112.3 | P2128 V2131 T2339 L2340 T2341 R2434 F2438 | P2128-L2343 HydrophobicContact CB-CD1 4.22Å; P2128-L2343 HydrophobicContact CB-CD2 3.91Å; P2128-L2343 HydrophobicContact CB-CG 4.17Å; P2128-L2343 WeakPolarHBondContact O-CD2 3.38Å; V2131-L2343 HydrophobicContact CB-CD2 4.17Å; V2131-L2343 HydrophobicContact CG2-CD1 4.29Å; V2131-L2343 HydrophobicContact CG2-CD2 4.22Å; T2339-L2343 WeakPolarHBondContact O-CG 3.47Å; T2339-L2343 PolarHBondContact O-N 3.22Å; L2340-L2343 HydrophobicContact CD2-CD1 4.46Å; L2340-L2343 WeakPolarHBondContact O-CB 3.27Å; L2340-L2343 PolarHBondContact O-N 3.11Å; T2341-L2343 VanDerWaalsContact C-N 3.31Å; T2341-L2343 PolarHBondContact O-N 2.98Å; L2343-R2434 VanDerWaalsContact O-CZ 3.28Å; L2343-R2434 PolarHBondContact O-NE 3Å; L2343-R2434 PolarHBondContact O-NH2 2.93Å; L2343-R2434 VanDerWaalsContact O-NH2 3.13Å; L2343-F2438 VanDerWaalsContact O-CE2 3.24Å; L2343-F2438 WeakPolarHBondContact O-CE2 3.3Å; L2343-F2438 WeakPolarHBondContact O-CZ 3.31Å |
| 2344 | A | 61.8 | Low | 60 | Low | 42.2 Ų | 42.2 | 91.1 Ų | 91.1 | 35% | 0.349 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -103.5 | -24.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L2340 T2341 S2342 F2438 | L2340-A2344 PolarHBondContact O-N 3.05Å; T2341-A2344 CarbonylContact O-C 3.52Å; T2341-A2344 VanDerWaalsContact O-C 3.31Å; T2341-A2344 VanDerWaalsContact O-CA 3.31Å; T2341-A2344 WeakPolarHBondContact O-CA 3.34Å; T2341-A2344 VanDerWaalsContact O-CB 3.25Å; T2341-A2344 WeakPolarHBondContact O-CB 3.47Å; T2341-A2344 PolarHBondContact O-N 3.03Å; S2342-A2344 VanDerWaalsContact C-N 3.31Å; S2342-A2344 PolarHBondContact O-N 3.2Å; A2344-F2438 VanDerWaalsContact CA-CZ 3.45Å; A2344-F2438 HydrophobicContact CB-CD1 3.95Å; A2344-F2438 HydrophobicContact CB-CE1 3.73Å; A2344-F2438 VanDerWaalsContact CB-CE1 3.45Å; A2344-F2438 HydrophobicContact CB-CE2 4.32Å; A2344-F2438 HydrophobicContact CB-CZ 3.65Å |
| 2345 | S | 55.3 | Low | 58 | Low | 47.2 Ų | 47.2 | 94.3 Ų | 94.3 | 33% | 0.33 | 49% | 0.485 | S | S | . | . | trans | -76.3 | 137.9 | -171.1 | 61.7 | 0 | 0 | 0 | 0 | 114 | T2341 S2342 H2347 R2434 | T2341-S2345 WeakPolarHBondContact O-CB 3.32Å; T2341-S2345 PolarHBondContact O-N 3Å; T2341-S2345 PolarHBondContact O-OG 3.18Å; S2342-S2345 WeakPolarHBondContact CA-OG 3.06Å; S2342-S2345 PolarHBondContact O-N 3.25Å; S2342-S2345 PolarHBondContact O-OG 3.14Å; S2345-H2347 PolarHBondContact O-N 3.33Å; S2345-R2434 PolarHBondContact O-NH2 3.36Å | ||
| 2346 | E | 50.6 | Low | 56.1 | Low | 126.6 Ų | 126.6 | 99 Ų | 99 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | trans | -72.7 | 128.5 | 169.2 | -66.4 | 174.6 | 149.3 | 0 | 0 | 109.7 | E2348 R2435 | E2346-E2348 VanDerWaalsContact C-N 3.33Å; E2346-E2348 PolarHBondContact O-N 3.07Å; E2346-E2348 VanDerWaalsContact O-N 3.14Å; E2346-R2435 WeakPolarHBondContact OE1-CD 3.39Å; E2346-R2435 VanDerWaalsContact OE1-CG 3.26Å; E2346-R2435 WeakPolarHBondContact OE1-CG 3.31Å | ||
| 2347 | H | 50.2 | Low | 54.2 | Low | 145.8 Ų | 145.8 | 99.4 Ų | 99.4 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | trans | -79.1 | 90.2 | 176.9 | -107.3 | -37.3 | 0 | 0 | 0 | 110.1 | S2345 N2349 L2350 | S2345-H2347 PolarHBondContact O-N 3.33Å; H2347-N2349 VanDerWaalsContact C-N 3.3Å; H2347-N2349 PolarHBondContact O-N 3.19Å; H2347-L2350 PolarHBondContact O-N 3.12Å | ||
| 2348 | E | 40.8 | Very low | 52.5 | Low | 119.2 Ų | 119.2 | 103.1 Ų | 103.1 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -66 | -7.6 | 177.4 | -79.7 | -116.2 | 120.2 | 0 | 0 | 114.7 | E2346 L2350 K2351 | E2346-E2348 VanDerWaalsContact C-N 3.33Å; E2346-E2348 PolarHBondContact O-N 3.07Å; E2346-E2348 VanDerWaalsContact O-N 3.14Å; E2348-L2350 VanDerWaalsContact C-N 3.32Å; E2348-L2350 PolarHBondContact O-N 3.26Å; E2348-L2350 VanDerWaalsContact O-N 3.14Å; E2348-K2351 WeakPolarHBondContact O-CD 3.26Å; E2348-K2351 VanDerWaalsContact O-CG 3.27Å; E2348-K2351 WeakPolarHBondContact O-CG 3.31Å; E2348-K2351 PolarHBondContact O-N 3.45Å; E2348-K2351 WeakPolarHBondContact OE1-CE 3.38Å; E2348-K2351 IonicContact OE1-NZ 3.06Å; E2348-K2351 PolarHBondContact OE1-NZ 3.15Å; E2348-K2351 WeakPolarHBondContact OE2-CE 3.26Å; E2348-K2351 IonicContact OE2-NZ 3.63Å; E2348-K2351 PolarHBondContact OE2-NZ 2.95Å |
| 2349 | N | 38.4 | Very low | 50.9 | Low | 144.8 Ų | 144.8 | 101 Ų | 101 | 77% | 0.774 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -78.1 | 14.6 | -168.7 | -68.9 | -3 | 0 | 0 | 0 | 115.9 | H2347 K2351 | H2347-N2349 VanDerWaalsContact C-N 3.3Å; H2347-N2349 PolarHBondContact O-N 3.19Å; N2349-K2351 PolarHBondContact O-N 3.02Å |
| 2350 | L | 40.5 | Very low | 49.4 | Very low | 126.6 Ų | 126.6 | 104.3 Ų | 104.3 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -97.8 | 9.1 | 172.4 | -75.7 | 168.4 | 0 | 0 | 0 | 113.9 | H2347 E2348 Q2352 E2353 E2354 | H2347-L2350 PolarHBondContact O-N 3.12Å; E2348-L2350 VanDerWaalsContact C-N 3.32Å; E2348-L2350 PolarHBondContact O-N 3.26Å; E2348-L2350 VanDerWaalsContact O-N 3.14Å; L2350-Q2352 VanDerWaalsContact C-N 3.27Å; L2350-Q2352 PolarHBondContact O-N 2.93Å; L2350-Q2352 VanDerWaalsContact O-N 3.15Å; L2350-E2353 PolarHBondContact O-N 3.14Å; L2350-E2354 WeakPolarHBondContact O-CG 3.46Å |
| 2351 | K | 35.4 | Very low | 48 | Very low | 143.2 Ų | 143.2 | 102.5 Ų | 102.5 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 32.3 | -179.7 | -72.6 | 176.1 | -178.1 | 173.3 | 0 | 115.2 | E2348 N2349 | E2348-K2351 WeakPolarHBondContact O-CD 3.26Å; E2348-K2351 VanDerWaalsContact O-CG 3.27Å; E2348-K2351 WeakPolarHBondContact O-CG 3.31Å; E2348-K2351 PolarHBondContact O-N 3.45Å; E2348-K2351 WeakPolarHBondContact OE1-CE 3.38Å; E2348-K2351 IonicContact OE1-NZ 3.06Å; E2348-K2351 PolarHBondContact OE1-NZ 3.15Å; E2348-K2351 WeakPolarHBondContact OE2-CE 3.26Å; E2348-K2351 IonicContact OE2-NZ 3.63Å; E2348-K2351 PolarHBondContact OE2-NZ 2.95Å; N2349-K2351 PolarHBondContact O-N 3.02Å |
| 2352 | Q | 36.3 | Very low | 46.7 | Very low | 191.2 Ų | 191.2 | 102.5 Ų | 102.5 | 89% | 0.893 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -142.1 | 0.9 | 169.8 | -104.1 | 171.1 | -7 | 0 | 0 | 115.4 | L2350 | L2350-Q2352 VanDerWaalsContact C-N 3.27Å; L2350-Q2352 PolarHBondContact O-N 2.93Å; L2350-Q2352 VanDerWaalsContact O-N 3.15Å |
| 2353 | E | 35 | Very low | 45.8 | Very low | 168.2 Ų | 168.2 | 109.5 Ų | 109.5 | 79% | 0.786 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -139 | 80 | 169.4 | -91.5 | -172.3 | 153.6 | 0 | 0 | 113.4 | L2350 V2355 | L2350-E2353 PolarHBondContact O-N 3.14Å; E2353-V2355 PolarHBondContact O-N 2.93Å |
| 2354 | E | 35.3 | Very low | 44.8 | Very low | 99.2 Ų | 99.2 | 111.9 Ų | 111.9 | 46% | 0.464 | 56% | 0.558 | S | S | . | * | trans | 163.9 | 76.2 | 171.3 | -71.4 | -163.7 | 167.2 | 0 | 0 | 115.5 | L2350 L2356 P2357 R2424 F2428 | L2350-E2354 WeakPolarHBondContact O-CG 3.46Å; E2354-L2356 VanDerWaalsContact C-N 3.32Å; E2354-L2356 PolarHBondContact O-N 2.98Å; E2354-P2357 HydrophobicContact CB-CG 4.19Å; E2354-P2357 VanDerWaalsContact O-CD 3.28Å; E2354-P2357 WeakPolarHBondContact O-CD 3.5Å; E2354-P2357 VanDerWaalsContact OE2-CG 3.3Å; E2354-P2357 WeakPolarHBondContact OE2-CG 3.33Å; E2354-R2424 IonicContact OE1-CZ 2.66Å; E2354-R2424 IonicContact OE1-NE 3.15Å; E2354-R2424 PolarHBondContact OE1-NE 2.73Å; E2354-R2424 IonicContact OE1-NH1 3.37Å; E2354-R2424 PolarHBondContact OE1-NH1 3.02Å; E2354-R2424 IonicContact OE1-NH2 3.2Å; E2354-R2424 PolarHBondContact OE1-NH2 3.03Å; E2354-R2424 IonicContact OE2-CZ 2.73Å; E2354-R2424 VanDerWaalsContact OE2-CZ 3.27Å; E2354-R2424 IonicContact OE2-NE 3.47Å; E2354-R2424 IonicContact OE2-NH1 2.84Å; E2354-R2424 PolarHBondContact OE2-NH1 3.3Å; E2354-R2424 IonicContact OE2-NH2 3.13Å; E2354-F2428 VanDerWaalsContact OE2-CZ 3.27Å; E2354-F2428 WeakPolarHBondContact OE2-CZ 3.48Å | ||
| 2355 | V | 40.2 | Very low | 44.2 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 72% | 0.715 | 56% | 0.561 | S | S | * | * | trans | -80.5 | 4.3 | 164 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | E2353 T2359 | E2353-V2355 PolarHBondContact O-N 2.93Å; V2355-T2359 HydrophobicContact CG1-CG2 4Å; V2355-T2359 WeakPolarHBondContact O-CB 3.49Å; V2355-T2359 VanDerWaalsContact O-CG2 3.24Å; V2355-T2359 WeakPolarHBondContact O-CG2 3.43Å; V2355-T2359 PolarHBondContact O-N 3.04Å; V2355-T2359 PolarHBondContact O-OG1 3.04Å | ||
| 2356 | L | 44.4 | Very low | 43.6 | Very low | 102 Ų | 102 | 116.7 Ų | 116.7 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -84.6 | -35 | -172.3 | -93.8 | 75.1 | 0 | 0 | 0 | 116.9 | E2354 Q2358 T2359 I2360 | E2354-L2356 VanDerWaalsContact C-N 3.32Å; E2354-L2356 PolarHBondContact O-N 2.98Å; L2356-Q2358 PolarHBondContact O-N 2.84Å; L2356-T2359 WeakPolarHBondContact CA-OG1 3.43Å; L2356-T2359 PolarHBondContact O-N 3.06Å; L2356-T2359 VanDerWaalsContact O-N 3.08Å; L2356-T2359 PolarHBondContact O-OG1 3.01Å; L2356-I2360 HydrophobicContact CB-CD1 4.21Å; L2356-I2360 HydrophobicContact CD2-CD1 4.26Å; L2356-I2360 HydrophobicContact CG-CD1 4.15Å; L2356-I2360 WeakPolarHBondContact O-CB 3.47Å; L2356-I2360 WeakPolarHBondContact O-CD1 3.27Å; L2356-I2360 VanDerWaalsContact O-CG1 3.27Å; L2356-I2360 WeakPolarHBondContact O-CG1 3.41Å; L2356-I2360 PolarHBondContact O-N 2.97Å |
| 2357 | P | 45.5 | Very low | 43.3 | Very low | 48 Ų | 48 | 118.9 Ų | 118.9 | 31% | 0.312 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70 | -42.7 | -170 | -13.5 | 22.1 | 0 | 0 | 0 | 114.1 | E2354 T2359 I2360 I2361 F2428 | E2354-P2357 HydrophobicContact CB-CG 4.19Å; E2354-P2357 VanDerWaalsContact O-CD 3.28Å; E2354-P2357 WeakPolarHBondContact O-CD 3.5Å; E2354-P2357 VanDerWaalsContact OE2-CG 3.3Å; E2354-P2357 WeakPolarHBondContact OE2-CG 3.33Å; P2357-T2359 VanDerWaalsContact C-N 3.31Å; P2357-T2359 PolarHBondContact O-N 3.06Å; P2357-I2360 PolarHBondContact O-N 3.14Å; P2357-I2361 WeakPolarHBondContact O-CB 3.49Å; P2357-I2361 WeakPolarHBondContact O-CD1 3.28Å; P2357-I2361 VanDerWaalsContact O-CG1 3.23Å; P2357-I2361 WeakPolarHBondContact O-CG1 3.31Å; P2357-I2361 PolarHBondContact O-N 3.03Å; P2357-F2428 HydrophobicContact CB-CE1 4.35Å; P2357-F2428 HydrophobicContact CB-CE2 3.65Å; P2357-F2428 HydrophobicContact CB-CZ 3.36Å; P2357-F2428 HydrophobicContact CG-CD1 4.16Å; P2357-F2428 HydrophobicContact CG-CD2 4.32Å; P2357-F2428 HydrophobicContact CG-CE1 3.54Å; P2357-F2428 HydrophobicContact CG-CE2 3.85Å; P2357-F2428 HydrophobicContact CG-CZ 3.61Å |
| 2358 | Q | 44.7 | Very low | 43 | Very low | 150.2 Ų | 150.2 | 115.8 Ų | 115.8 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.6 | -39 | 177.4 | -71.8 | 179.1 | -12.8 | 0 | 0 | 111.3 | L2356 I2360 I2361 N2362 | L2356-Q2358 PolarHBondContact O-N 2.84Å; Q2358-I2360 VanDerWaalsContact C-N 3.31Å; Q2358-I2360 PolarHBondContact O-N 3.24Å; Q2358-I2361 PolarHBondContact O-N 2.99Å; Q2358-N2362 VanDerWaalsContact O-CB 3.27Å; Q2358-N2362 WeakPolarHBondContact O-CB 3.37Å; Q2358-N2362 VanDerWaalsContact O-CG 3.24Å; Q2358-N2362 PolarHBondContact O-N 3.08Å; Q2358-N2362 PolarHBondContact O-ND2 3.01Å; Q2358-N2362 VanDerWaalsContact O-ND2 3.15Å; Q2358-N2362 PolarHBondContact O-OD1 2.93Å; Q2358-N2362 VanDerWaalsContact O-OD1 3.1Å |
| 2359 | T | 43.7 | Very low | 43 | Very low | 66.6 Ų | 66.6 | 116.4 Ų | 116.4 | 41% | 0.409 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.7 | -28.1 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | V2355 L2356 P2357 R2363 | V2355-T2359 HydrophobicContact CG1-CG2 4Å; V2355-T2359 WeakPolarHBondContact O-CB 3.49Å; V2355-T2359 VanDerWaalsContact O-CG2 3.24Å; V2355-T2359 WeakPolarHBondContact O-CG2 3.43Å; V2355-T2359 PolarHBondContact O-N 3.04Å; V2355-T2359 PolarHBondContact O-OG1 3.04Å; L2356-T2359 WeakPolarHBondContact CA-OG1 3.43Å; L2356-T2359 PolarHBondContact O-N 3.06Å; L2356-T2359 VanDerWaalsContact O-N 3.08Å; L2356-T2359 PolarHBondContact O-OG1 3.01Å; P2357-T2359 VanDerWaalsContact C-N 3.31Å; P2357-T2359 PolarHBondContact O-N 3.06Å; T2359-R2363 WeakPolarHBondContact O-CB 3.35Å; T2359-R2363 WeakPolarHBondContact O-CD 3.44Å; T2359-R2363 VanDerWaalsContact O-CG 3.25Å; T2359-R2363 WeakPolarHBondContact O-CG 3.33Å; T2359-R2363 PolarHBondContact O-N 2.96Å; T2359-R2363 VanDerWaalsContact O-N 3.1Å |
| 2360 | I | 47.9 | Very low | 43.1 | Very low | 76.6 Ų | 76.6 | 118.4 Ų | 118.4 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.9 | -46.4 | 175.2 | -66.7 | 167.8 | 0 | 0 | 0 | 110.4 | L2356 P2357 Q2358 N2362 R2363 E2364 | L2356-I2360 HydrophobicContact CB-CD1 4.21Å; L2356-I2360 HydrophobicContact CD2-CD1 4.26Å; L2356-I2360 HydrophobicContact CG-CD1 4.15Å; L2356-I2360 WeakPolarHBondContact O-CB 3.47Å; L2356-I2360 WeakPolarHBondContact O-CD1 3.27Å; L2356-I2360 VanDerWaalsContact O-CG1 3.27Å; L2356-I2360 WeakPolarHBondContact O-CG1 3.41Å; L2356-I2360 PolarHBondContact O-N 2.97Å; P2357-I2360 PolarHBondContact O-N 3.14Å; Q2358-I2360 VanDerWaalsContact C-N 3.31Å; Q2358-I2360 PolarHBondContact O-N 3.24Å; I2360-N2362 VanDerWaalsContact C-N 3.33Å; I2360-N2362 PolarHBondContact O-N 2.96Å; I2360-R2363 PolarHBondContact O-N 3.12Å; I2360-R2363 VanDerWaalsContact O-N 3.16Å; I2360-E2364 HydrophobicContact CG2-CG 4.42Å; I2360-E2364 WeakPolarHBondContact CG2-OE2 3.42Å; I2360-E2364 PolarHBondContact O-N 3.08Å; I2360-E2364 VanDerWaalsContact O-N 3.11Å |
| 2361 | I | 51 | Low | 43.1 | Very low | 61.4 Ų | 61.4 | 118.2 Ų | 118.2 | 32% | 0.315 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60 | -46.6 | 176.8 | -64.9 | 168 | 0 | 0 | 0 | 110.2 | P2357 Q2358 R2363 E2364 V2365 L2382 F2390 | P2357-I2361 WeakPolarHBondContact O-CB 3.49Å; P2357-I2361 WeakPolarHBondContact O-CD1 3.28Å; P2357-I2361 VanDerWaalsContact O-CG1 3.23Å; P2357-I2361 WeakPolarHBondContact O-CG1 3.31Å; P2357-I2361 PolarHBondContact O-N 3.03Å; Q2358-I2361 PolarHBondContact O-N 2.99Å; I2361-R2363 VanDerWaalsContact C-N 3.32Å; I2361-R2363 PolarHBondContact O-N 3.03Å; I2361-E2364 PolarHBondContact O-N 3.14Å; I2361-V2365 VanDerWaalsContact O-CG2 3.29Å; I2361-V2365 WeakPolarHBondContact O-CG2 3.32Å; I2361-V2365 PolarHBondContact O-N 2.82Å; I2361-V2365 VanDerWaalsContact O-N 3.13Å; I2361-L2382 HydrophobicContact CG2-CD1 3.83Å; I2361-F2390 HydrophobicContact CD1-CD1 4.47Å; I2361-F2390 HydrophobicContact CD1-CE1 4.39Å; I2361-F2390 HydrophobicContact CG1-CD1 4.23Å; I2361-F2390 HydrophobicContact CG1-CE1 3.78Å; I2361-F2390 HydrophobicContact CG1-CZ 4.42Å |
| 2362 | N | 45.9 | Very low | 43.2 | Very low | 86.2 Ų | 86.2 | 118 Ų | 118 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69 | -32.8 | -178.7 | -64.8 | 9 | 0 | 0 | 0 | 112.9 | Q2358 I2360 E2364 Q2366 | Q2358-N2362 VanDerWaalsContact O-CB 3.27Å; Q2358-N2362 WeakPolarHBondContact O-CB 3.37Å; Q2358-N2362 VanDerWaalsContact O-CG 3.24Å; Q2358-N2362 PolarHBondContact O-N 3.08Å; Q2358-N2362 PolarHBondContact O-ND2 3.01Å; Q2358-N2362 VanDerWaalsContact O-ND2 3.15Å; Q2358-N2362 PolarHBondContact O-OD1 2.93Å; Q2358-N2362 VanDerWaalsContact O-OD1 3.1Å; I2360-N2362 VanDerWaalsContact C-N 3.33Å; I2360-N2362 PolarHBondContact O-N 2.96Å; N2362-E2364 PolarHBondContact O-N 3.42Å; N2362-Q2366 VanDerWaalsContact O-CB 3.31Å; N2362-Q2366 WeakPolarHBondContact O-CB 3.37Å; N2362-Q2366 VanDerWaalsContact O-CG 3.28Å; N2362-Q2366 WeakPolarHBondContact O-CG 3.44Å; N2362-Q2366 PolarHBondContact O-N 3.05Å; N2362-Q2366 VanDerWaalsContact O-N 3.08Å |
| 2363 | R | 50.7 | Low | 43.1 | Very low | 192.2 Ų | 192.2 | 112.2 Ų | 112.2 | 73% | 0.725 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.9 | -25.8 | -177.8 | -121.7 | 177.6 | 171.4 | 158.8 | -0.3 | 114.3 | T2359 I2360 I2361 K2367 | T2359-R2363 WeakPolarHBondContact O-CB 3.35Å; T2359-R2363 WeakPolarHBondContact O-CD 3.44Å; T2359-R2363 VanDerWaalsContact O-CG 3.25Å; T2359-R2363 WeakPolarHBondContact O-CG 3.33Å; T2359-R2363 PolarHBondContact O-N 2.96Å; T2359-R2363 VanDerWaalsContact O-N 3.1Å; I2360-R2363 PolarHBondContact O-N 3.12Å; I2360-R2363 VanDerWaalsContact O-N 3.16Å; I2361-R2363 VanDerWaalsContact C-N 3.32Å; I2361-R2363 PolarHBondContact O-N 3.03Å; R2363-K2367 WeakPolarHBondContact O-CB 3.47Å; R2363-K2367 PolarHBondContact O-N 2.84Å; R2363-K2367 VanDerWaalsContact O-N 3.12Å |
| 2364 | E | 47.3 | Very low | 43 | Very low | 95.2 Ų | 95.2 | 111.7 Ų | 111.7 | 45% | 0.445 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -86.4 | -33.4 | 177.3 | -70.6 | -174.1 | 127.3 | 0 | 0 | 112.1 | I2360 I2361 N2362 K2367 A2368 R2394 | I2360-E2364 HydrophobicContact CG2-CG 4.42Å; I2360-E2364 WeakPolarHBondContact CG2-OE2 3.42Å; I2360-E2364 PolarHBondContact O-N 3.08Å; I2360-E2364 VanDerWaalsContact O-N 3.11Å; I2361-E2364 PolarHBondContact O-N 3.14Å; N2362-E2364 PolarHBondContact O-N 3.42Å; E2364-K2367 WeakPolarHBondContact O-CA 3.47Å; E2364-K2367 WeakPolarHBondContact O-CB 3.43Å; E2364-K2367 PolarHBondContact O-N 3.08Å; E2364-K2367 VanDerWaalsContact O-N 3.12Å; E2364-A2368 PolarHBondContact O-N 3.03Å; E2364-A2368 VanDerWaalsContact O-N 3.11Å; E2364-R2394 VanDerWaalsContact CD-NH2 3.3Å; E2364-R2394 IonicContact OE1-CZ 3.21Å; E2364-R2394 IonicContact OE1-NH1 3.06Å; E2364-R2394 IonicContact OE1-NH2 2.99Å; E2364-R2394 PolarHBondContact OE1-NH2 2.95Å; E2364-R2394 IonicContact OE2-CZ 2.83Å; E2364-R2394 VanDerWaalsContact OE2-CZ 3.28Å; E2364-R2394 IonicContact OE2-NH1 3.66Å; E2364-R2394 PolarHBondContact OE2-NH1 3.06Å; E2364-R2394 IonicContact OE2-NH2 2.75Å; E2364-R2394 PolarHBondContact OE2-NH2 2.91Å |
| 2365 | V | 49 | Very low | 43.1 | Very low | 67.8 Ų | 67.8 | 112.2 Ų | 112.2 | 41% | 0.411 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.4 | -48.8 | 170.2 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | I2361 K2367 A2368 E2369 L2382 | I2361-V2365 VanDerWaalsContact O-CG2 3.29Å; I2361-V2365 WeakPolarHBondContact O-CG2 3.32Å; I2361-V2365 PolarHBondContact O-N 2.82Å; I2361-V2365 VanDerWaalsContact O-N 3.13Å; V2365-K2367 VanDerWaalsContact C-N 3.28Å; V2365-K2367 PolarHBondContact O-N 3.18Å; V2365-A2368 PolarHBondContact O-N 2.97Å; V2365-A2368 VanDerWaalsContact O-N 3.09Å; V2365-E2369 WeakPolarHBondContact CG1-OE1 3.31Å; V2365-E2369 WeakPolarHBondContact O-CG 3.29Å; V2365-E2369 PolarHBondContact O-N 2.94Å; V2365-E2369 VanDerWaalsContact O-N 3.13Å; V2365-L2382 HydrophobicContact CG2-CD1 4.34Å |
| 2366 | Q | 42.5 | Very low | 42.7 | Very low | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.9 | -11.1 | 175.3 | -72 | 179.3 | 0.6 | 0 | 0 | 114.9 | N2362 K2370 | N2362-Q2366 VanDerWaalsContact O-CB 3.31Å; N2362-Q2366 WeakPolarHBondContact O-CB 3.37Å; N2362-Q2366 VanDerWaalsContact O-CG 3.28Å; N2362-Q2366 WeakPolarHBondContact O-CG 3.44Å; N2362-Q2366 PolarHBondContact O-N 3.05Å; N2362-Q2366 VanDerWaalsContact O-N 3.08Å; Q2366-K2370 WeakPolarHBondContact O-CD 3.31Å; Q2366-K2370 WeakPolarHBondContact O-CG 3.46Å |
| 2367 | K | 43.9 | Very low | 42.4 | Very low | 173.4 Ų | 173.4 | 118.8 Ų | 118.8 | 75% | 0.754 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -93.3 | -25.5 | 176.8 | -125.2 | -179.7 | 179.8 | -174.7 | 0 | 112.7 | R2363 E2364 V2365 | R2363-K2367 WeakPolarHBondContact O-CB 3.47Å; R2363-K2367 PolarHBondContact O-N 2.84Å; R2363-K2367 VanDerWaalsContact O-N 3.12Å; E2364-K2367 WeakPolarHBondContact O-CA 3.47Å; E2364-K2367 WeakPolarHBondContact O-CB 3.43Å; E2364-K2367 PolarHBondContact O-N 3.08Å; E2364-K2367 VanDerWaalsContact O-N 3.12Å; V2365-K2367 VanDerWaalsContact C-N 3.28Å; V2365-K2367 PolarHBondContact O-N 3.18Å |
| 2368 | A | 44.6 | Very low | 41.8 | Very low | 79.4 Ų | 79.4 | 123.7 Ų | 123.7 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.5 | -29.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2364 V2365 K2370 T2371 | E2364-A2368 PolarHBondContact O-N 3.03Å; E2364-A2368 VanDerWaalsContact O-N 3.11Å; V2365-A2368 PolarHBondContact O-N 2.97Å; V2365-A2368 VanDerWaalsContact O-N 3.09Å; A2368-K2370 VanDerWaalsContact C-N 3.29Å; A2368-K2370 PolarHBondContact O-N 3.2Å; A2368-T2371 PolarHBondContact O-OG1 2.92Å; A2368-T2371 VanDerWaalsContact O-OG1 3.1Å |
| 2369 | E | 40.7 | Very low | 41.1 | Very low | 133.2 Ų | 133.2 | 125.4 Ų | 125.4 | 62% | 0.622 | 66% | 0.663 | S | S | * | * | trans | -79.6 | -4.4 | -173 | -68.5 | 174.9 | 143.8 | 0 | 0 | 114.5 | V2365 T2371 V2372 | V2365-E2369 WeakPolarHBondContact CG1-OE1 3.31Å; V2365-E2369 WeakPolarHBondContact O-CG 3.29Å; V2365-E2369 PolarHBondContact O-N 2.94Å; V2365-E2369 VanDerWaalsContact O-N 3.13Å; E2369-T2371 VanDerWaalsContact C-N 3.3Å; E2369-T2371 PolarHBondContact O-N 2.92Å; E2369-T2371 VanDerWaalsContact O-N 3.12Å; E2369-V2372 PolarHBondContact O-N 2.84Å | ||
| 2370 | K | 40.9 | Very low | 40.8 | Very low | 186.4 Ų | 186.4 | 127 Ų | 127 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -78.3 | 20.3 | -176.2 | -91.8 | -175.6 | 178.9 | -178.2 | 0 | 115.9 | Q2366 A2368 | Q2366-K2370 WeakPolarHBondContact O-CD 3.31Å; Q2366-K2370 WeakPolarHBondContact O-CG 3.46Å; A2368-K2370 VanDerWaalsContact C-N 3.29Å; A2368-K2370 PolarHBondContact O-N 3.2Å |
| 2371 | T | 40.5 | Very low | 40.8 | Very low | 122.4 Ų | 122.4 | 127.3 Ų | 127.3 | 75% | 0.751 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -135.5 | 35.4 | 178.4 | -10.9 | 0 | 0 | 0 | 0 | 112.9 | A2368 E2369 | A2368-T2371 PolarHBondContact O-OG1 2.92Å; A2368-T2371 VanDerWaalsContact O-OG1 3.1Å; E2369-T2371 VanDerWaalsContact C-N 3.3Å; E2369-T2371 PolarHBondContact O-N 2.92Å; E2369-T2371 VanDerWaalsContact O-N 3.12Å |
| 2372 | V | 38 | Very low | 41.1 | Very low | 139.2 Ų | 139.2 | 128.8 Ų | 128.8 | 84% | 0.844 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -173.2 | 126.7 | 170.1 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | E2369 | E2369-V2372 PolarHBondContact O-N 2.84Š|
| 2373 | G | 34.4 | Very low | 42 | Very low | 67.6 Ų | 67.6 | 127.2 Ų | 127.2 | 70% | 0.697 | 70% | 0.695 | S | S | * | * | trans | -48.9 | 114.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | S2375 | G2373-S2375 PolarHBondContact O-N 2.88Š| ||
| 2374 | D | 31.2 | Very low | 42.7 | Very low | 159.2 Ų | 159.2 | 121.1 Ų | 121.1 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | trans | 22.7 | 98.4 | 145.8 | -140.1 | 4.3 | 0 | 0 | 0 | 117.8 | ||||
| 2375 | S | 37.4 | Very low | 43.8 | Very low | 109.2 Ų | 109.2 | 125.4 Ų | 125.4 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | trans | -154.6 | 112.7 | 153.6 | -79 | 0 | 0 | 0 | 0 | 110.3 | G2373 L2377 | G2373-S2375 PolarHBondContact O-N 2.88Å; S2375-L2377 PolarHBondContact O-N 3.21Å; S2375-L2377 VanDerWaalsContact O-N 3.16Å | ||
| 2376 | Q | 33.3 | Very low | 44.9 | Very low | 197.2 Ų | 197.2 | 127.1 Ų | 127.1 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -67.9 | 113.7 | -175.3 | -174.8 | 179.1 | -4.8 | 0 | 0 | 111.9 | ||||
| 2377 | L | 36.3 | Very low | 46.2 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 85% | 0.848 | 68% | 0.678 | S | S | * | * | trans | -129.6 | 148.9 | 174.6 | -79.2 | 170.9 | 0 | 0 | 0 | 111.7 | S2375 | S2375-L2377 PolarHBondContact O-N 3.21Å; S2375-L2377 VanDerWaalsContact O-N 3.16Å | ||
| 2378 | D | 33.1 | Very low | 47.6 | Very low | 150.2 Ų | 150.2 | 118.3 Ų | 118.3 | 80% | 0.803 | 65% | 0.648 | S | S | * | * | trans | -63.1 | 135.7 | -168.9 | -96.1 | -43.1 | 0 | 0 | 0 | 115.3 | S2380 | D2378-S2380 VanDerWaalsContact C-N 3.32Å; D2378-S2380 PolarHBondContact O-N 3.26Å; D2378-S2380 VanDerWaalsContact O-N 3.1Å; D2378-S2380 PolarHBondContact O-OG 2.82Å | ||
| 2379 | E | 31.1 | Very low | 49 | Very low | 186.6 Ų | 186.6 | 119.7 Ų | 119.7 | 87% | 0.872 | 64% | 0.639 | S | S | * | * | trans | -73.3 | 46 | 175.3 | -66.7 | -171.7 | 119.1 | 0 | 0 | 113.7 | A2381 | E2379-A2381 PolarHBondContact O-N 3.07Š| ||
| 2380 | S | 37.3 | Very low | 50.8 | Low | 100.4 Ų | 100.4 | 117.4 Ų | 117.4 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | trans | -114 | 98.2 | -179.5 | 42.3 | 0 | 0 | 0 | 0 | 114.7 | D2378 L2382 | D2378-S2380 VanDerWaalsContact C-N 3.32Å; D2378-S2380 PolarHBondContact O-N 3.26Å; D2378-S2380 VanDerWaalsContact O-N 3.1Å; D2378-S2380 PolarHBondContact O-OG 2.82Å; S2380-L2382 PolarHBondContact O-N 3.29Å; S2380-L2382 VanDerWaalsContact O-N 3.14Å | ||
| 2381 | A | 47.6 | Very low | 52.5 | Low | 82.2 Ų | 82.2 | 109.4 Ų | 109.4 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | trans | 15.4 | 76.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | E2379 S2383 | E2379-A2381 PolarHBondContact O-N 3.07Å; A2381-S2383 PolarHBondContact O-N 3.12Å | ||
| 2382 | L | 58 | Low | 54.1 | Low | 92.2 Ų | 92.2 | 106.1 Ų | 106.1 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | trans | -44.6 | 132.2 | 166 | -71.7 | 171.4 | 0 | 0 | 0 | 112.2 | I2361 V2365 S2380 E2386 R2387 | I2361-L2382 HydrophobicContact CG2-CD1 3.83Å; V2365-L2382 HydrophobicContact CG2-CD1 4.34Å; S2380-L2382 PolarHBondContact O-N 3.29Å; S2380-L2382 VanDerWaalsContact O-N 3.14Å; L2382-E2386 HydrophobicContact CD2-CB 4.39Å; L2382-R2387 HydrophobicContact CB-CG 4.02Å; L2382-R2387 VanDerWaalsContact O-CZ 3.29Å; L2382-R2387 PolarHBondContact O-NE 3.26Å; L2382-R2387 PolarHBondContact O-NH1 3.05Å; L2382-R2387 PolarHBondContact O-NH2 2.82Å | ||
| 2383 | S | 64.6 | Low | 56.1 | Low | 54.2 Ų | 54.2 | 107.9 Ų | 107.9 | 38% | 0.379 | 56% | 0.561 | S | S | . | * | trans | -68.4 | 157.7 | -177.8 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | A2381 R2385 E2386 R2387 | A2381-S2383 PolarHBondContact O-N 3.12Å; S2383-R2385 VanDerWaalsContact C-N 3.26Å; S2383-R2385 PolarHBondContact O-N 3.01Å; S2383-R2385 VanDerWaalsContact O-N 3.14Å; S2383-E2386 WeakPolarHBondContact CA-OE2 3.39Å; S2383-E2386 WeakPolarHBondContact CB-OE2 3.37Å; S2383-E2386 PolarHBondContact N-OE2 3.2Å; S2383-E2386 PolarHBondContact O-N 3.01Å; S2383-E2386 VanDerWaalsContact O-N 3.09Å; S2383-E2386 VanDerWaalsContact OG-CD 3.24Å; S2383-E2386 VanDerWaalsContact OG-CG 3.25Å; S2383-E2386 WeakPolarHBondContact OG-CG 3.42Å; S2383-E2386 PolarHBondContact OG-N 3.06Å; S2383-E2386 PolarHBondContact OG-OE2 3.08Å; S2383-R2387 WeakPolarHBondContact O-CG 3.41Å; S2383-R2387 PolarHBondContact O-N 3.05Å | ||
| 2384 | F | 65.7 | Low | 58.3 | Low | 63.2 Ų | 63.2 | 107.9 Ų | 107.9 | 28% | 0.277 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -50 | -44 | 177.2 | 170.1 | -102.9 | 0 | 0 | 0 | 112.3 | E2386 R2387 T2388 E2432 L2433 D2436 | F2384-E2386 VanDerWaalsContact C-N 3.29Å; F2384-E2386 PolarHBondContact O-N 2.95Å; F2384-R2387 PolarHBondContact O-N 2.94Å; F2384-T2388 WeakPolarHBondContact CE1-OG1 3.36Å; F2384-T2388 WeakPolarHBondContact CE2-OG1 3.27Å; F2384-T2388 HydrophobicContact CZ-CG2 4.44Å; F2384-T2388 VanDerWaalsContact CZ-OG1 3.3Å; F2384-T2388 WeakPolarHBondContact CZ-OG1 3.3Å; F2384-T2388 VanDerWaalsContact O-CB 3.31Å; F2384-T2388 WeakPolarHBondContact O-CB 3.4Å; F2384-T2388 PolarHBondContact O-N 2.98Å; F2384-T2388 PolarHBondContact O-OG1 2.9Å; F2384-E2432 HydrophobicContact CD2-CG 3.85Å; F2384-E2432 WeakPolarHBondContact CD2-OE2 3.43Å; F2384-E2432 HydrophobicContact CE2-CB 4.17Å; F2384-E2432 HydrophobicContact CE2-CG 3.65Å; F2384-E2432 VanDerWaalsContact CE2-O 3.28Å; F2384-E2432 WeakPolarHBondContact CE2-O 3.35Å; F2384-L2433 HydrophobicContact CZ-CD2 4.22Å; F2384-D2436 HydrophobicContact CD1-CB 4.05Å; F2384-D2436 HydrophobicContact CD2-CB 4.25Å; F2384-D2436 HydrophobicContact CE1-CB 3.71Å; F2384-D2436 VanDerWaalsContact CE1-CB 3.45Å; F2384-D2436 VanDerWaalsContact CE1-CG 3.43Å; F2384-D2436 VanDerWaalsContact CE1-OD2 3.24Å; F2384-D2436 WeakPolarHBondContact CE1-OD2 3.26Å; F2384-D2436 HydrophobicContact CE2-CB 3.57Å; F2384-D2436 VanDerWaalsContact CE2-CB 3.45Å; F2384-D2436 HydrophobicContact CG-CB 4.3Å; F2384-D2436 HydrophobicContact CZ-CB 3.26Å; F2384-D2436 VanDerWaalsContact CZ-CG 3.42Å; F2384-D2436 WeakPolarHBondContact CZ-OD2 3.41Å |
| 2385 | R | 70.2 | Confident | 60.5 | Low | 184.6 Ų | 184.6 | 101.4 Ų | 101.4 | 70% | 0.697 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67 | -30.9 | -178.3 | -164.1 | 179.6 | -172.2 | -166.4 | 2.6 | 112.6 | S2383 K2389 | S2383-R2385 VanDerWaalsContact C-N 3.26Å; S2383-R2385 PolarHBondContact O-N 3.01Å; S2383-R2385 VanDerWaalsContact O-N 3.14Å; R2385-K2389 VanDerWaalsContact O-CB 3.3Å; R2385-K2389 WeakPolarHBondContact O-CB 3.33Å; R2385-K2389 VanDerWaalsContact O-CG 3.28Å; R2385-K2389 WeakPolarHBondContact O-CG 3.35Å; R2385-K2389 PolarHBondContact O-N 3.18Å; R2385-K2389 VanDerWaalsContact O-N 3.09Å |
| 2386 | E | 72.3 | Confident | 62.4 | Low | 104.4 Ų | 104.4 | 100 Ų | 100 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.3 | -40.5 | 175.8 | -70.2 | 155 | 153.4 | 0 | 0 | 111.3 | L2382 S2383 F2384 K2389 F2390 | L2382-E2386 HydrophobicContact CD2-CB 4.39Å; S2383-E2386 WeakPolarHBondContact CA-OE2 3.39Å; S2383-E2386 WeakPolarHBondContact CB-OE2 3.37Å; S2383-E2386 PolarHBondContact N-OE2 3.2Å; S2383-E2386 PolarHBondContact O-N 3.01Å; S2383-E2386 VanDerWaalsContact O-N 3.09Å; S2383-E2386 VanDerWaalsContact OG-CD 3.24Å; S2383-E2386 VanDerWaalsContact OG-CG 3.25Å; S2383-E2386 WeakPolarHBondContact OG-CG 3.42Å; S2383-E2386 PolarHBondContact OG-N 3.06Å; S2383-E2386 PolarHBondContact OG-OE2 3.08Å; F2384-E2386 VanDerWaalsContact C-N 3.29Å; F2384-E2386 PolarHBondContact O-N 2.95Å; E2386-K2389 PolarHBondContact O-N 2.94Å; E2386-F2390 VanDerWaalsContact O-CB 3.27Å; E2386-F2390 WeakPolarHBondContact O-CB 3.43Å; E2386-F2390 PolarHBondContact O-N 3.12Å |
| 2387 | R | 69.6 | Low | 64.6 | Low | 89.8 Ų | 89.8 | 95.4 Ų | 95.4 | 34% | 0.339 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 173.5 | -68.6 | -179.5 | -171.5 | -175.9 | -3.2 | 111.9 | L2382 S2383 F2384 K2389 F2390 I2391 E2432 | L2382-R2387 HydrophobicContact CB-CG 4.02Å; L2382-R2387 VanDerWaalsContact O-CZ 3.29Å; L2382-R2387 PolarHBondContact O-NE 3.26Å; L2382-R2387 PolarHBondContact O-NH1 3.05Å; L2382-R2387 PolarHBondContact O-NH2 2.82Å; S2383-R2387 WeakPolarHBondContact O-CG 3.41Å; S2383-R2387 PolarHBondContact O-N 3.05Å; F2384-R2387 PolarHBondContact O-N 2.94Å; R2387-K2389 VanDerWaalsContact C-N 3.32Å; R2387-K2389 PolarHBondContact O-N 3.18Å; R2387-F2390 WeakPolarHBondContact O-CB 3.41Å; R2387-F2390 PolarHBondContact O-N 3Å; R2387-F2390 VanDerWaalsContact O-N 3.15Å; R2387-I2391 VanDerWaalsContact O-CG1 3.3Å; R2387-I2391 WeakPolarHBondContact O-CG1 3.25Å; R2387-I2391 PolarHBondContact O-N 3.08Å; R2387-E2432 WeakPolarHBondContact CD-OE1 3.1Å |
| 2388 | T | 72.5 | Confident | 66.7 | Low | 20.8 Ų | 20.8 | 88.8 Ų | 88.8 | 13% | 0.128 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 177.4 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | F2384 F2390 I2391 E2392 M2429 L2433 | F2384-T2388 WeakPolarHBondContact CE1-OG1 3.36Å; F2384-T2388 WeakPolarHBondContact CE2-OG1 3.27Å; F2384-T2388 HydrophobicContact CZ-CG2 4.44Å; F2384-T2388 VanDerWaalsContact CZ-OG1 3.3Å; F2384-T2388 WeakPolarHBondContact CZ-OG1 3.3Å; F2384-T2388 VanDerWaalsContact O-CB 3.31Å; F2384-T2388 WeakPolarHBondContact O-CB 3.4Å; F2384-T2388 PolarHBondContact O-N 2.98Å; F2384-T2388 PolarHBondContact O-OG1 2.9Å; T2388-F2390 VanDerWaalsContact C-N 3.32Å; T2388-F2390 PolarHBondContact O-N 2.96Å; T2388-I2391 PolarHBondContact O-N 2.92Å; T2388-E2392 WeakPolarHBondContact O-CB 3.27Å; T2388-E2392 PolarHBondContact O-N 2.98Å; T2388-M2429 HydrophobicContact CG2-CE 3.9Å; T2388-M2429 HydrophobicContact CG2-SD 4.22Å; T2388-L2433 HydrophobicContact CG2-CD2 4.39Å; T2388-L2433 HydrophobicContact CG2-CG 4.38Å |
| 2389 | K | 75 | Confident | 68.8 | Low | 107.8 Ų | 107.8 | 83.3 Ų | 83.3 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -34.3 | 176 | -78.8 | -178.2 | 172.2 | -166.2 | 0 | 113.8 | R2385 E2386 R2387 R2393 | R2385-K2389 VanDerWaalsContact O-CB 3.3Å; R2385-K2389 WeakPolarHBondContact O-CB 3.33Å; R2385-K2389 VanDerWaalsContact O-CG 3.28Å; R2385-K2389 WeakPolarHBondContact O-CG 3.35Å; R2385-K2389 PolarHBondContact O-N 3.18Å; R2385-K2389 VanDerWaalsContact O-N 3.09Å; E2386-K2389 PolarHBondContact O-N 2.94Å; R2387-K2389 VanDerWaalsContact C-N 3.32Å; R2387-K2389 PolarHBondContact O-N 3.18Å; K2389-R2393 VanDerWaalsContact O-CB 3.3Å; K2389-R2393 WeakPolarHBondContact O-CB 3.38Å; K2389-R2393 VanDerWaalsContact O-CG 3.27Å; K2389-R2393 WeakPolarHBondContact O-CG 3.45Å; K2389-R2393 PolarHBondContact O-N 3.19Å; K2389-R2393 VanDerWaalsContact O-N 3.09Å |
| 2390 | F | 77 | Confident | 71.1 | Confident | 85.2 Ų | 85.2 | 81.6 Ų | 81.6 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.1 | -47.2 | 177.1 | -179.7 | -92.7 | 0 | 0 | 0 | 111.3 | I2361 E2386 R2387 T2388 E2392 R2393 R2394 | I2361-F2390 HydrophobicContact CD1-CD1 4.47Å; I2361-F2390 HydrophobicContact CD1-CE1 4.39Å; I2361-F2390 HydrophobicContact CG1-CD1 4.23Å; I2361-F2390 HydrophobicContact CG1-CE1 3.78Å; I2361-F2390 HydrophobicContact CG1-CZ 4.42Å; E2386-F2390 VanDerWaalsContact O-CB 3.27Å; E2386-F2390 WeakPolarHBondContact O-CB 3.43Å; E2386-F2390 PolarHBondContact O-N 3.12Å; R2387-F2390 WeakPolarHBondContact O-CB 3.41Å; R2387-F2390 PolarHBondContact O-N 3Å; R2387-F2390 VanDerWaalsContact O-N 3.15Å; T2388-F2390 VanDerWaalsContact C-N 3.32Å; T2388-F2390 PolarHBondContact O-N 2.96Å; F2390-E2392 VanDerWaalsContact C-N 3.33Å; F2390-E2392 PolarHBondContact O-N 3.03Å; F2390-R2393 PolarHBondContact O-N 2.97Å; F2390-R2394 HydrophobicContact CD1-CG 4.46Å; F2390-R2394 HydrophobicContact CE1-CG 4.22Å; F2390-R2394 HydrophobicContact CZ-CG 4.34Å; F2390-R2394 WeakPolarHBondContact O-CB 3.38Å; F2390-R2394 PolarHBondContact O-N 3.17Å |
| 2391 | I | 78 | Confident | 73.2 | Confident | 19.6 Ų | 19.6 | 80.5 Ų | 80.5 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 178.3 | -56.4 | 161.9 | 0 | 0 | 0 | 110.1 | R2387 T2388 R2394 M2395 L2425 M2429 E2432 | R2387-I2391 VanDerWaalsContact O-CG1 3.3Å; R2387-I2391 WeakPolarHBondContact O-CG1 3.25Å; R2387-I2391 PolarHBondContact O-N 3.08Å; T2388-I2391 PolarHBondContact O-N 2.92Å; I2391-R2394 CarbonylContact O-C 3.55Å; I2391-R2394 PolarHBondContact O-N 3.13Å; I2391-M2395 HydrophobicContact CG2-SD 4.42Å; I2391-M2395 VanDerWaalsContact O-CB 3.3Å; I2391-M2395 WeakPolarHBondContact O-CB 3.33Å; I2391-M2395 WeakPolarHBondContact O-CG 3.41Å; I2391-M2395 PolarHBondContact O-N 3.14Å; I2391-L2425 HydrophobicContact CG2-CD2 4.24Å; I2391-M2429 HydrophobicContact CB-CG 4.16Å; I2391-M2429 HydrophobicContact CB-SD 3.54Å; I2391-M2429 WeakPolarHBondContact CB-SD 3.31Å; I2391-M2429 HydrophobicContact CD1-SD 4.29Å; I2391-M2429 HydrophobicContact CG1-SD 4.48Å; I2391-M2429 HydrophobicContact CG2-CB 3.64Å; I2391-M2429 HydrophobicContact CG2-CG 3.58Å; I2391-M2429 HydrophobicContact CG2-SD 3.46Å; I2391-M2429 VanDerWaalsContact CG2-SD 3.59Å; I2391-M2429 WeakPolarHBondContact CG2-SD 3.04Å; I2391-E2432 HydrophobicContact CD1-CG 4.04Å |
| 2392 | E | 74 | Confident | 74.7 | Confident | 53.2 Ų | 53.2 | 77.5 Ų | 77.5 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 172.3 | 176.4 | 178.4 | -144.9 | 0 | 0 | 112 | N2143 T2388 F2390 R2394 M2395 I2396 M2429 | N2143-E2392 VanDerWaalsContact CG-OE1 3.26Å; N2143-E2392 PolarHBondContact ND2-OE1 3.15Å; T2388-E2392 WeakPolarHBondContact O-CB 3.27Å; T2388-E2392 PolarHBondContact O-N 2.98Å; F2390-E2392 VanDerWaalsContact C-N 3.33Å; F2390-E2392 PolarHBondContact O-N 3.03Å; E2392-R2394 VanDerWaalsContact C-N 3.33Å; E2392-R2394 PolarHBondContact O-N 2.91Å; E2392-M2395 WeakPolarHBondContact O-CB 3.33Å; E2392-M2395 PolarHBondContact O-N 2.99Å; E2392-I2396 HydrophobicContact CG-CD1 4.15Å; E2392-I2396 VanDerWaalsContact O-CG1 3.31Å; E2392-I2396 WeakPolarHBondContact O-CG1 3.36Å; E2392-I2396 PolarHBondContact O-N 3.12Å; E2392-M2429 HydrophobicContact CB-CE 4.3Å |
| 2393 | R | 79.3 | Confident | 75.7 | Confident | 177.2 Ų | 177.2 | 76.5 Ų | 76.5 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 174.6 | -112 | 177.1 | -140.2 | -178.7 | -0.8 | 111.9 | K2389 F2390 M2395 I2396 E2397 | K2389-R2393 VanDerWaalsContact O-CB 3.3Å; K2389-R2393 WeakPolarHBondContact O-CB 3.38Å; K2389-R2393 VanDerWaalsContact O-CG 3.27Å; K2389-R2393 WeakPolarHBondContact O-CG 3.45Å; K2389-R2393 PolarHBondContact O-N 3.19Å; K2389-R2393 VanDerWaalsContact O-N 3.09Å; F2390-R2393 PolarHBondContact O-N 2.97Å; R2393-M2395 VanDerWaalsContact C-N 3.33Å; R2393-M2395 PolarHBondContact O-N 3.17Å; R2393-I2396 PolarHBondContact O-N 2.9Å; R2393-I2396 VanDerWaalsContact O-N 3.16Å; R2393-E2397 VanDerWaalsContact O-CB 3.29Å; R2393-E2397 WeakPolarHBondContact O-CB 3.22Å; R2393-E2397 WeakPolarHBondContact O-CG 3.34Å; R2393-E2397 PolarHBondContact O-N 2.98Å |
| 2394 | R | 80 | Confident | 76.5 | Confident | 67.6 Ų | 67.6 | 77.2 Ų | 77.2 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 175.3 | -93.8 | -81.4 | 161.5 | 100.2 | -5.4 | 112.6 | E2364 F2390 I2391 E2392 E2397 Q2398 L2425 | E2364-R2394 VanDerWaalsContact CD-NH2 3.3Å; E2364-R2394 IonicContact OE1-CZ 3.21Å; E2364-R2394 IonicContact OE1-NH1 3.06Å; E2364-R2394 IonicContact OE1-NH2 2.99Å; E2364-R2394 PolarHBondContact OE1-NH2 2.95Å; E2364-R2394 IonicContact OE2-CZ 2.83Å; E2364-R2394 VanDerWaalsContact OE2-CZ 3.28Å; E2364-R2394 IonicContact OE2-NH1 3.66Å; E2364-R2394 PolarHBondContact OE2-NH1 3.06Å; E2364-R2394 IonicContact OE2-NH2 2.75Å; E2364-R2394 PolarHBondContact OE2-NH2 2.91Å; F2390-R2394 HydrophobicContact CD1-CG 4.46Å; F2390-R2394 HydrophobicContact CE1-CG 4.22Å; F2390-R2394 HydrophobicContact CZ-CG 4.34Å; F2390-R2394 WeakPolarHBondContact O-CB 3.38Å; F2390-R2394 PolarHBondContact O-N 3.17Å; I2391-R2394 CarbonylContact O-C 3.55Å; I2391-R2394 PolarHBondContact O-N 3.13Å; E2392-R2394 VanDerWaalsContact C-N 3.33Å; E2392-R2394 PolarHBondContact O-N 2.91Å; R2394-E2397 VanDerWaalsContact CD-OE2 3.23Å; R2394-E2397 WeakPolarHBondContact CD-OE2 3.37Å; R2394-E2397 IonicContact CZ-OE2 3.5Å; R2394-E2397 IonicContact NE-OE2 3.4Å; R2394-E2397 PolarHBondContact NE-OE2 3.09Å; R2394-E2397 PolarHBondContact O-N 2.97Å; R2394-Q2398 VanDerWaalsContact O-CB 3.25Å; R2394-Q2398 WeakPolarHBondContact O-CB 3.25Å; R2394-Q2398 VanDerWaalsContact O-CG 3.25Å; R2394-Q2398 WeakPolarHBondContact O-CG 3.33Å; R2394-Q2398 PolarHBondContact O-N 3.03Å; R2394-L2425 HydrophobicContact CB-CD1 4.13Å; R2394-L2425 HydrophobicContact CB-CD2 4.26Å |
| 2395 | M | 78.3 | Confident | 77.4 | Confident | 22.8 Ų | 22.8 | 75.2 Ų | 75.2 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 174.2 | -113.3 | -178.8 | 61.7 | 0 | 0 | 111.4 | N2140 I2391 E2392 R2393 Q2398 S2399 L2422 L2425 E2426 M2429 | N2140-M2395 WeakPolarHBondContact OD1-CE 3.43Å; I2391-M2395 HydrophobicContact CG2-SD 4.42Å; I2391-M2395 VanDerWaalsContact O-CB 3.3Å; I2391-M2395 WeakPolarHBondContact O-CB 3.33Å; I2391-M2395 WeakPolarHBondContact O-CG 3.41Å; I2391-M2395 PolarHBondContact O-N 3.14Å; E2392-M2395 WeakPolarHBondContact O-CB 3.33Å; E2392-M2395 PolarHBondContact O-N 2.99Å; R2393-M2395 VanDerWaalsContact C-N 3.33Å; R2393-M2395 PolarHBondContact O-N 3.17Å; M2395-Q2398 PolarHBondContact O-N 3.14Å; M2395-S2399 VanDerWaalsContact O-CB 3.26Å; M2395-S2399 WeakPolarHBondContact O-CB 3.34Å; M2395-S2399 PolarHBondContact O-N 2.87Å; M2395-S2399 PolarHBondContact O-OG 3.13Å; M2395-L2422 HydrophobicContact CB-CD1 4.16Å; M2395-L2422 HydrophobicContact CG-CD1 3.89Å; M2395-L2425 HydrophobicContact CG-CB 3.66Å; M2395-L2425 HydrophobicContact CG-CD1 4.25Å; M2395-L2425 HydrophobicContact SD-CB 4.31Å; M2395-E2426 HydrophobicContact CE-CB 4.46Å; M2395-E2426 HydrophobicContact CE-CG 3.49Å; M2395-E2426 VanDerWaalsContact CE-CG 3.42Å; M2395-E2426 HydrophobicContact SD-CG 4.11Å; M2395-M2429 HydrophobicContact CE-CE 3.93Å; M2395-M2429 VanDerWaalsContact CE-CE 3.42Å; M2395-M2429 HydrophobicContact SD-CB 3.87Å; M2395-M2429 HydrophobicContact SD-CE 3.58Å; M2395-M2429 WeakPolarHBondContact SD-CE 3.47Å; M2395-M2429 HydrophobicContact SD-CG 4.24Å |
| 2396 | I | 77.5 | Confident | 77.7 | Confident | 78.2 Ų | 78.2 | 69.2 Ų | 69.2 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176 | -65.9 | 164.3 | 0 | 0 | 0 | 111 | F2147 E2392 R2393 Q2398 S2399 R2400 | F2147-I2396 HydrophobicContact CD2-CD1 4.43Å; E2392-I2396 HydrophobicContact CG-CD1 4.15Å; E2392-I2396 VanDerWaalsContact O-CG1 3.31Å; E2392-I2396 WeakPolarHBondContact O-CG1 3.36Å; E2392-I2396 PolarHBondContact O-N 3.12Å; R2393-I2396 PolarHBondContact O-N 2.9Å; R2393-I2396 VanDerWaalsContact O-N 3.16Å; I2396-Q2398 VanDerWaalsContact C-N 3.32Å; I2396-Q2398 PolarHBondContact O-N 2.91Å; I2396-S2399 WeakPolarHBondContact CA-OG 3.27Å; I2396-S2399 PolarHBondContact O-N 3.38Å; I2396-S2399 PolarHBondContact O-OG 3.05Å; I2396-S2399 VanDerWaalsContact O-OG 3.13Å; I2396-R2400 VanDerWaalsContact O-CB 3.3Å; I2396-R2400 WeakPolarHBondContact O-CB 3.37Å; I2396-R2400 PolarHBondContact O-N 2.97Å; I2396-R2400 VanDerWaalsContact O-N 3.08Å |
| 2397 | E | 80.4 | Confident | 77.9 | Confident | 100.8 Ų | 100.8 | 72.8 Ų | 72.8 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.6 | -111.4 | 173.5 | -164.6 | 0 | 0 | 112 | R2393 R2394 R2400 M2401 | R2393-E2397 VanDerWaalsContact O-CB 3.29Å; R2393-E2397 WeakPolarHBondContact O-CB 3.22Å; R2393-E2397 WeakPolarHBondContact O-CG 3.34Å; R2393-E2397 PolarHBondContact O-N 2.98Å; R2394-E2397 VanDerWaalsContact CD-OE2 3.23Å; R2394-E2397 WeakPolarHBondContact CD-OE2 3.37Å; R2394-E2397 IonicContact CZ-OE2 3.5Å; R2394-E2397 IonicContact NE-OE2 3.4Å; R2394-E2397 PolarHBondContact NE-OE2 3.09Å; R2394-E2397 PolarHBondContact O-N 2.97Å; E2397-R2400 PolarHBondContact O-N 3.34Å; E2397-M2401 WeakPolarHBondContact O-CB 3.36Å; E2397-M2401 PolarHBondContact O-N 2.93Å; E2397-M2401 VanDerWaalsContact O-N 3.09Å |
| 2398 | Q | 80.3 | Confident | 78.4 | Confident | 22.8 Ų | 22.8 | 75 Ų | 75 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -75.2 | -36.7 | 179.9 | -73.2 | -79.9 | -81.2 | 0 | 0 | 113 | R2394 M2395 I2396 R2400 M2401 L2402 E2418 K2421 L2422 L2425 | R2394-Q2398 VanDerWaalsContact O-CB 3.25Å; R2394-Q2398 WeakPolarHBondContact O-CB 3.25Å; R2394-Q2398 VanDerWaalsContact O-CG 3.25Å; R2394-Q2398 WeakPolarHBondContact O-CG 3.33Å; R2394-Q2398 PolarHBondContact O-N 3.03Å; M2395-Q2398 PolarHBondContact O-N 3.14Å; I2396-Q2398 VanDerWaalsContact C-N 3.32Å; I2396-Q2398 PolarHBondContact O-N 2.91Å; Q2398-R2400 VanDerWaalsContact C-N 3.33Å; Q2398-R2400 PolarHBondContact O-N 2.82Å; Q2398-M2401 PolarHBondContact NE2-SD 2.75Å; Q2398-M2401 PolarHBondContact O-N 2.89Å; Q2398-L2402 WeakPolarHBondContact O-CB 3.39Å; Q2398-L2402 PolarHBondContact O-N 3.05Å; Q2398-E2418 PolarHBondContact NE2-OE2 3.29Å; Q2398-E2418 PolarHBondContact OE1-OE2 3.13Å; Q2398-E2418 VanDerWaalsContact OE1-OE2 3.06Å; Q2398-K2421 VanDerWaalsContact OE1-CB 3.24Å; Q2398-L2422 HydrophobicContact CB-CD1 4.11Å; Q2398-L2425 HydrophobicContact CB-CD1 4.15Å; Q2398-L2425 HydrophobicContact CG-CD1 3.74Å |
| 2399 | S | 76.7 | Confident | 78.6 | Confident | 34.8 Ų | 34.8 | 77.1 Ų | 77.1 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 173.5 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | M2395 I2396 M2401 L2402 T2403 | M2395-S2399 VanDerWaalsContact O-CB 3.26Å; M2395-S2399 WeakPolarHBondContact O-CB 3.34Å; M2395-S2399 PolarHBondContact O-N 2.87Å; M2395-S2399 PolarHBondContact O-OG 3.13Å; I2396-S2399 WeakPolarHBondContact CA-OG 3.27Å; I2396-S2399 PolarHBondContact O-N 3.38Å; I2396-S2399 PolarHBondContact O-OG 3.05Å; I2396-S2399 VanDerWaalsContact O-OG 3.13Å; S2399-M2401 PolarHBondContact O-N 3.41Å; S2399-L2402 WeakPolarHBondContact O-CB 3.22Å; S2399-L2402 PolarHBondContact O-N 2.91Å; S2399-T2403 PolarHBondContact O-N 3.04Å; S2399-T2403 PolarHBondContact O-OG1 2.99Å |
| 2400 | R | 78.2 | Confident | 78.8 | Confident | 151.6 Ų | 151.6 | 73.2 Ų | 73.2 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 172 | -174.4 | 176.7 | -178.5 | 166.2 | 5 | 111.7 | S1890 I2396 E2397 Q2398 L2402 T2403 D2404 | S1890-R2400 PolarHBondContact OG-NH2 3.29Å; S1890-R2400 VanDerWaalsContact OG-NH2 3.17Å; I2396-R2400 VanDerWaalsContact O-CB 3.3Å; I2396-R2400 WeakPolarHBondContact O-CB 3.37Å; I2396-R2400 PolarHBondContact O-N 2.97Å; I2396-R2400 VanDerWaalsContact O-N 3.08Å; E2397-R2400 PolarHBondContact O-N 3.34Å; Q2398-R2400 VanDerWaalsContact C-N 3.33Å; Q2398-R2400 PolarHBondContact O-N 2.82Å; R2400-L2402 VanDerWaalsContact C-N 3.26Å; R2400-L2402 PolarHBondContact O-N 3.12Å; R2400-T2403 WeakPolarHBondContact CA-OG1 3.35Å; R2400-T2403 CarbonylContact O-C 3.57Å; R2400-T2403 WeakPolarHBondContact O-CA 3.44Å; R2400-T2403 WeakPolarHBondContact O-CB 3.48Å; R2400-T2403 PolarHBondContact O-N 3Å; R2400-T2403 VanDerWaalsContact O-N 3.17Å; R2400-T2403 PolarHBondContact O-OG1 2.93Å; R2400-T2403 VanDerWaalsContact O-OG1 3.12Å; R2400-D2404 WeakPolarHBondContact CG-OD2 3.47Å; R2400-D2404 IonicContact NE-OD2 3.11Å; R2400-D2404 PolarHBondContact NE-OD2 3.3Å; R2400-D2404 VanDerWaalsContact O-CB 3.32Å; R2400-D2404 WeakPolarHBondContact O-CB 3.19Å; R2400-D2404 VanDerWaalsContact O-CG 3.28Å; R2400-D2404 PolarHBondContact O-N 3.15Å |
| 2401 | M | 81.1 | Confident | 79.1 | Confident | 76.8 Ų | 76.8 | 73.1 Ų | 73.1 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 174.5 | -169.9 | -176.7 | -63.4 | 0 | 0 | 111.7 | E2397 Q2398 S2399 D2404 L2405 E2418 | E2397-M2401 WeakPolarHBondContact O-CB 3.36Å; E2397-M2401 PolarHBondContact O-N 2.93Å; E2397-M2401 VanDerWaalsContact O-N 3.09Å; Q2398-M2401 PolarHBondContact NE2-SD 2.75Å; Q2398-M2401 PolarHBondContact O-N 2.89Å; S2399-M2401 PolarHBondContact O-N 3.41Å; M2401-D2404 PolarHBondContact O-N 3.21Å; M2401-L2405 HydrophobicContact CG-CD1 4.02Å; M2401-L2405 HydrophobicContact CG-CG 4.32Å; M2401-L2405 VanDerWaalsContact O-CB 3.27Å; M2401-L2405 WeakPolarHBondContact O-CB 3.32Å; M2401-L2405 WeakPolarHBondContact O-CD1 3.41Å; M2401-L2405 WeakPolarHBondContact O-CG 3.39Å; M2401-L2405 PolarHBondContact O-N 3Å; M2401-L2405 HydrophobicContact SD-CD1 4.48Å; M2401-E2418 HydrophobicContact CG-CG 4.48Å; M2401-E2418 HydrophobicContact SD-CG 4.05Å; M2401-E2418 VanDerWaalsContact SD-OE2 3.41Å |
| 2402 | L | 81 | Confident | 79.2 | Confident | 20.6 Ų | 20.6 | 77.1 Ų | 77.1 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 174.8 | -117.3 | 151.7 | 0 | 0 | 0 | 112.4 | Q2398 S2399 R2400 L2405 A2406 I2415 E2418 R2419 L2422 | Q2398-L2402 WeakPolarHBondContact O-CB 3.39Å; Q2398-L2402 PolarHBondContact O-N 3.05Å; S2399-L2402 WeakPolarHBondContact O-CB 3.22Å; S2399-L2402 PolarHBondContact O-N 2.91Å; R2400-L2402 VanDerWaalsContact C-N 3.26Å; R2400-L2402 PolarHBondContact O-N 3.12Å; L2402-L2405 PolarHBondContact O-N 3.24Å; L2402-A2406 VanDerWaalsContact O-CB 3.29Å; L2402-A2406 WeakPolarHBondContact O-CB 3.35Å; L2402-A2406 PolarHBondContact O-N 3.03Å; L2402-I2415 HydrophobicContact CD2-CG2 3.83Å; L2402-I2415 WeakPolarHBondContact CD2-O 3.39Å; L2402-I2415 HydrophobicContact CG-CG2 4.4Å; L2402-E2418 HydrophobicContact CD1-CB 4.34Å; L2402-E2418 HydrophobicContact CD2-CB 4.09Å; L2402-E2418 HydrophobicContact CG-CB 4.22Å; L2402-R2419 HydrophobicContact CD1-CB 4.19Å; L2402-R2419 HydrophobicContact CD1-CG 4.39Å; L2402-R2419 HydrophobicContact CD2-CB 4.16Å; L2402-L2422 HydrophobicContact CD1-CB 4.14Å; L2402-L2422 HydrophobicContact CD1-CD2 3.82Å; L2402-L2422 HydrophobicContact CD1-CG 4.4Å |
| 2403 | T | 78.1 | Confident | 79.4 | Confident | 71.4 Ų | 71.4 | 77.1 Ų | 77.1 | 44% | 0.438 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 175.9 | -19.7 | 0 | 0 | 0 | 0 | 111.6 | D1948 S2399 R2400 L2405 A2406 Y2407 | D1948-T2403 WeakPolarHBondContact OD2-CG2 3.28Å; S2399-T2403 PolarHBondContact O-N 3.04Å; S2399-T2403 PolarHBondContact O-OG1 2.99Å; R2400-T2403 WeakPolarHBondContact CA-OG1 3.35Å; R2400-T2403 CarbonylContact O-C 3.57Å; R2400-T2403 WeakPolarHBondContact O-CA 3.44Å; R2400-T2403 WeakPolarHBondContact O-CB 3.48Å; R2400-T2403 PolarHBondContact O-N 3Å; R2400-T2403 VanDerWaalsContact O-N 3.17Å; R2400-T2403 PolarHBondContact O-OG1 2.93Å; R2400-T2403 VanDerWaalsContact O-OG1 3.12Å; T2403-L2405 PolarHBondContact O-N 3.47Å; T2403-A2406 PolarHBondContact O-N 3.11Å; T2403-Y2407 VanDerWaalsContact O-CB 3.3Å; T2403-Y2407 WeakPolarHBondContact O-CB 3.44Å; T2403-Y2407 PolarHBondContact O-N 2.94Å |
| 2404 | D | 81.6 | Confident | 79.4 | Confident | 67.2 Ų | 67.2 | 73.2 Ų | 73.2 | 36% | 0.359 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.9 | -69.7 | -19.6 | 0 | 0 | 0 | 111.1 | R2400 M2401 Y2407 L2408 | R2400-D2404 WeakPolarHBondContact CG-OD2 3.47Å; R2400-D2404 IonicContact NE-OD2 3.11Å; R2400-D2404 PolarHBondContact NE-OD2 3.3Å; R2400-D2404 VanDerWaalsContact O-CB 3.32Å; R2400-D2404 WeakPolarHBondContact O-CB 3.19Å; R2400-D2404 VanDerWaalsContact O-CG 3.28Å; R2400-D2404 PolarHBondContact O-N 3.15Å; M2401-D2404 PolarHBondContact O-N 3.21Å; D2404-Y2407 PolarHBondContact O-N 2.94Å; D2404-L2408 VanDerWaalsContact O-CB 3.26Å; D2404-L2408 WeakPolarHBondContact O-CB 3.38Å; D2404-L2408 WeakPolarHBondContact O-CD1 3.37Å; D2404-L2408 VanDerWaalsContact O-CG 3.22Å; D2404-L2408 WeakPolarHBondContact O-CG 3.33Å; D2404-L2408 PolarHBondContact O-N 3.09Å |
| 2405 | L | 84 | Confident | 79.5 | Confident | 21.8 Ų | 21.8 | 70.8 Ų | 70.8 | 11% | 0.114 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.3 | -75.7 | 170.5 | 0 | 0 | 0 | 112.6 | M2401 L2402 T2403 Y2407 L2408 G2409 A2410 M2414 I2415 E2418 | M2401-L2405 HydrophobicContact CG-CD1 4.02Å; M2401-L2405 HydrophobicContact CG-CG 4.32Å; M2401-L2405 VanDerWaalsContact O-CB 3.27Å; M2401-L2405 WeakPolarHBondContact O-CB 3.32Å; M2401-L2405 WeakPolarHBondContact O-CD1 3.41Å; M2401-L2405 WeakPolarHBondContact O-CG 3.39Å; M2401-L2405 PolarHBondContact O-N 3Å; M2401-L2405 HydrophobicContact SD-CD1 4.48Å; L2402-L2405 PolarHBondContact O-N 3.24Å; T2403-L2405 PolarHBondContact O-N 3.47Å; L2405-Y2407 VanDerWaalsContact C-N 3.34Å; L2405-L2408 PolarHBondContact O-N 3.19Å; L2405-G2409 PolarHBondContact O-N 2.97Å; L2405-A2410 HydrophobicContact CB-CB 4.09Å; L2405-A2410 HydrophobicContact CD2-CB 3.7Å; L2405-A2410 HydrophobicContact CG-CB 4.42Å; L2405-A2410 VanDerWaalsContact O-CB 3.29Å; L2405-A2410 WeakPolarHBondContact O-CB 3.4Å; L2405-A2410 PolarHBondContact O-N 3.08Å; L2405-A2410 VanDerWaalsContact O-N 3.12Å; L2405-M2414 HydrophobicContact CD1-CE 4.33Å; L2405-M2414 HydrophobicContact CD1-CG 4.48Å; L2405-M2414 HydrophobicContact CD2-CE 3.85Å; L2405-M2414 HydrophobicContact CD2-CG 4.48Å; L2405-M2414 HydrophobicContact CD2-SD 4.18Å; L2405-I2415 HydrophobicContact CB-CG1 4.36Å; L2405-E2418 HydrophobicContact CD1-CB 4.31Å; L2405-E2418 HydrophobicContact CD1-CG 3.53Å; L2405-E2418 VanDerWaalsContact CD1-CG 3.5Å |
| 2406 | A | 77.4 | Confident | 79.6 | Confident | 59.8 Ų | 59.8 | 72.3 Ų | 72.3 | 49% | 0.494 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2402 T2403 G2409 I2415 | L2402-A2406 VanDerWaalsContact O-CB 3.29Å; L2402-A2406 WeakPolarHBondContact O-CB 3.35Å; L2402-A2406 PolarHBondContact O-N 3.03Å; T2403-A2406 PolarHBondContact O-N 3.11Å; A2406-G2409 PolarHBondContact O-N 2.92Å; A2406-I2415 HydrophobicContact CB-CD1 4.38Å |
| 2407 | Y | 76.4 | Confident | 79.9 | Confident | 178.2 Ų | 178.2 | 71.9 Ų | 71.9 | 70% | 0.699 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.1 | -37.9 | 177.3 | -177.3 | -105 | 0 | 0 | 0 | 113 | V1892 T2403 D2404 L2405 G2409 | V1892-Y2407 HydrophobicContact CB-CD2 4.01Å; V1892-Y2407 HydrophobicContact CB-CE2 4.09Å; V1892-Y2407 HydrophobicContact CB-CG 4.24Å; V1892-Y2407 HydrophobicContact CG1-CD1 4.33Å; V1892-Y2407 HydrophobicContact CG1-CD2 3.35Å; V1892-Y2407 VanDerWaalsContact CG1-CD2 3.44Å; V1892-Y2407 HydrophobicContact CG1-CE1 4.44Å; V1892-Y2407 HydrophobicContact CG1-CE2 3.49Å; V1892-Y2407 HydrophobicContact CG1-CG 3.9Å; V1892-Y2407 HydrophobicContact CG2-CD1 3.72Å; V1892-Y2407 VanDerWaalsContact CG2-CD1 3.47Å; V1892-Y2407 HydrophobicContact CG2-CD2 4.04Å; V1892-Y2407 HydrophobicContact CG2-CE1 4.07Å; V1892-Y2407 HydrophobicContact CG2-CE2 3.94Å; V1892-Y2407 HydrophobicContact CG2-CG 3.68Å; T2403-Y2407 VanDerWaalsContact O-CB 3.3Å; T2403-Y2407 WeakPolarHBondContact O-CB 3.44Å; T2403-Y2407 PolarHBondContact O-N 2.94Å; D2404-Y2407 PolarHBondContact O-N 2.94Å; L2405-Y2407 VanDerWaalsContact C-N 3.34Å; Y2407-G2409 VanDerWaalsContact C-N 3.26Å; Y2407-G2409 PolarHBondContact O-N 2.84Å |
| 2408 | L | 79.1 | Confident | 80 | Confident | 136 Ų | 136 | 67.7 Ų | 67.7 | 71% | 0.712 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 0.5 | 178.8 | -69.6 | 169.5 | 0 | 0 | 0 | 113.8 | D2404 L2405 A2410 | D2404-L2408 VanDerWaalsContact O-CB 3.26Å; D2404-L2408 WeakPolarHBondContact O-CB 3.38Å; D2404-L2408 WeakPolarHBondContact O-CD1 3.37Å; D2404-L2408 VanDerWaalsContact O-CG 3.22Å; D2404-L2408 WeakPolarHBondContact O-CG 3.33Å; D2404-L2408 PolarHBondContact O-N 3.09Å; L2405-L2408 PolarHBondContact O-N 3.19Å; L2408-A2410 VanDerWaalsContact C-N 3.3Å; L2408-A2410 PolarHBondContact O-N 3.04Å |
| 2409 | G | 78 | Confident | 80 | Confident | 64.8 Ų | 64.8 | 70.5 Ų | 70.5 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 32.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2405 A2406 Y2407 | L2405-G2409 PolarHBondContact O-N 2.97Å; A2406-G2409 PolarHBondContact O-N 2.92Å; Y2407-G2409 VanDerWaalsContact C-N 3.26Å; Y2407-G2409 PolarHBondContact O-N 2.84Å |
| 2410 | A | 78.4 | Confident | 80.3 | Confident | 26.2 Ų | 26.2 | 75.1 Ų | 75.1 | 22% | 0.217 | 40% | 0.403 | C | S | . | . | trans | -62 | 151.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2405 L2408 E2412 I2415 | L2405-A2410 HydrophobicContact CB-CB 4.09Å; L2405-A2410 HydrophobicContact CD2-CB 3.7Å; L2405-A2410 HydrophobicContact CG-CB 4.42Å; L2405-A2410 VanDerWaalsContact O-CB 3.29Å; L2405-A2410 WeakPolarHBondContact O-CB 3.4Å; L2405-A2410 PolarHBondContact O-N 3.08Å; L2405-A2410 VanDerWaalsContact O-N 3.12Å; L2408-A2410 VanDerWaalsContact C-N 3.3Å; L2408-A2410 PolarHBondContact O-N 3.04Å; A2410-E2412 PolarHBondContact O-N 3.16Å; A2410-I2415 HydrophobicContact CB-CG1 4.37Å; A2410-I2415 WeakPolarHBondContact O-CD1 3.46Å | ||
| 2411 | S | 82.8 | Confident | 80.4 | Confident | 82.8 Ų | 82.8 | 72 Ų | 72 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | trans | -57.3 | 137.4 | 178.2 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | G2413 M2414 I2415 | S2411-G2413 PolarHBondContact O-N 3.11Å; S2411-G2413 VanDerWaalsContact O-N 3.08Å; S2411-M2414 WeakPolarHBondContact O-CA 3.21Å; S2411-M2414 WeakPolarHBondContact O-CB 3.26Å; S2411-M2414 PolarHBondContact O-N 3.06Å; S2411-I2415 PolarHBondContact O-N 2.98Å | ||
| 2412 | E | 79.5 | Confident | 80.5 | Confident | 105.2 Ų | 105.2 | 69 Ų | 69 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.8 | -33.9 | -178.6 | -174.3 | 64.5 | -153.7 | 0 | 0 | 112.9 | R2055 A2410 M2414 I2415 E2416 R2419 | R2055-E2412 IonicContact NH1-OE2 3.09Å; R2055-E2412 PolarHBondContact NH1-OE2 3.41Å; A2410-E2412 PolarHBondContact O-N 3.16Å; E2412-M2414 VanDerWaalsContact C-N 3.28Å; E2412-M2414 PolarHBondContact O-N 3.01Å; E2412-I2415 PolarHBondContact O-N 3.18Å; E2412-E2416 VanDerWaalsContact O-CB 3.24Å; E2412-E2416 WeakPolarHBondContact O-CB 3.32Å; E2412-E2416 PolarHBondContact O-N 2.95Å; E2412-R2419 IonicContact OE1-CZ 2.68Å; E2412-R2419 VanDerWaalsContact OE1-CZ 3.26Å; E2412-R2419 IonicContact OE1-NH1 3.33Å; E2412-R2419 PolarHBondContact OE1-NH1 3.05Å; E2412-R2419 IonicContact OE1-NH2 3.39Å; E2412-R2419 PolarHBondContact OE1-NH2 3.06Å |
| 2413 | G | 79.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 55% | 0.546 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -29.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2411 V2417 | S2411-G2413 PolarHBondContact O-N 3.11Å; S2411-G2413 VanDerWaalsContact O-N 3.08Å; G2413-V2417 VanDerWaalsContact O-CG2 3.24Å; G2413-V2417 WeakPolarHBondContact O-CG2 3.36Å; G2413-V2417 PolarHBondContact O-N 3.12Å |
| 2414 | M | 79.9 | Confident | 80.5 | Confident | 94.4 Ų | 94.4 | 74.9 Ų | 74.9 | 47% | 0.465 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80.3 | -39.4 | 174.6 | -170.4 | 172.3 | 177 | 0 | 0 | 111.2 | L2405 S2411 E2412 E2416 V2417 E2418 | L2405-M2414 HydrophobicContact CD1-CE 4.33Å; L2405-M2414 HydrophobicContact CD1-CG 4.48Å; L2405-M2414 HydrophobicContact CD2-CE 3.85Å; L2405-M2414 HydrophobicContact CD2-CG 4.48Å; L2405-M2414 HydrophobicContact CD2-SD 4.18Å; S2411-M2414 WeakPolarHBondContact O-CA 3.21Å; S2411-M2414 WeakPolarHBondContact O-CB 3.26Å; S2411-M2414 PolarHBondContact O-N 3.06Å; E2412-M2414 VanDerWaalsContact C-N 3.28Å; E2412-M2414 PolarHBondContact O-N 3.01Å; M2414-E2416 VanDerWaalsContact C-N 3.29Å; M2414-E2416 PolarHBondContact O-N 3.37Å; M2414-V2417 PolarHBondContact O-N 3.11Å; M2414-E2418 PolarHBondContact O-N 3.07Å; M2414-E2418 VanDerWaalsContact O-N 3.14Å |
| 2415 | I | 80.9 | Confident | 80.4 | Confident | 17.2 Ų | 17.2 | 73.3 Ų | 73.3 | 9% | 0.088 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173 | -61.7 | 176.7 | 0 | 0 | 0 | 110.1 | L2402 L2405 A2406 A2410 S2411 E2412 V2417 E2418 R2419 | L2402-I2415 HydrophobicContact CD2-CG2 3.83Å; L2402-I2415 WeakPolarHBondContact CD2-O 3.39Å; L2402-I2415 HydrophobicContact CG-CG2 4.4Å; L2405-I2415 HydrophobicContact CB-CG1 4.36Å; A2406-I2415 HydrophobicContact CB-CD1 4.38Å; A2410-I2415 HydrophobicContact CB-CG1 4.37Å; A2410-I2415 WeakPolarHBondContact O-CD1 3.46Å; S2411-I2415 PolarHBondContact O-N 2.98Å; E2412-I2415 PolarHBondContact O-N 3.18Å; I2415-V2417 VanDerWaalsContact C-N 3.32Å; I2415-V2417 PolarHBondContact O-N 3.11Å; I2415-E2418 PolarHBondContact O-N 2.97Å; I2415-R2419 VanDerWaalsContact O-CB 3.28Å; I2415-R2419 WeakPolarHBondContact O-CB 3.43Å; I2415-R2419 PolarHBondContact O-N 3.07Å |
| 2416 | E | 80.8 | Confident | 79.9 | Confident | 54.2 Ų | 54.2 | 74 Ų | 74 | 25% | 0.253 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.2 | -33.7 | 178.7 | 177.4 | 56.9 | -161.7 | 0 | 0 | 112.9 | E2412 M2414 R2419 R2420 | E2412-E2416 VanDerWaalsContact O-CB 3.24Å; E2412-E2416 WeakPolarHBondContact O-CB 3.32Å; E2412-E2416 PolarHBondContact O-N 2.95Å; M2414-E2416 VanDerWaalsContact C-N 3.29Å; M2414-E2416 PolarHBondContact O-N 3.37Å; E2416-R2419 PolarHBondContact O-N 2.91Å; E2416-R2419 WeakPolarHBondContact OE2-CD 3.36Å; E2416-R2419 IonicContact OE2-CZ 3.15Å; E2416-R2419 IonicContact OE2-NH1 3.18Å; E2416-R2419 PolarHBondContact OE2-NH1 3.11Å; E2416-R2420 WeakPolarHBondContact O-CG 3.34Å; E2416-R2420 PolarHBondContact O-N 3.25Å; E2416-R2420 IonicContact OE1-CZ 2.85Å; E2416-R2420 VanDerWaalsContact OE1-CZ 3.3Å; E2416-R2420 IonicContact OE1-NE 3.17Å; E2416-R2420 PolarHBondContact OE1-NE 2.99Å; E2416-R2420 IonicContact OE1-NH2 3.23Å; E2416-R2420 PolarHBondContact OE1-NH2 3.19Å |
| 2417 | V | 84 | Confident | 79.7 | Confident | 69.8 Ų | 69.8 | 74.5 Ų | 74.5 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 173.5 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | G2413 M2414 I2415 R2419 R2420 K2421 | G2413-V2417 VanDerWaalsContact O-CG2 3.24Å; G2413-V2417 WeakPolarHBondContact O-CG2 3.36Å; G2413-V2417 PolarHBondContact O-N 3.12Å; M2414-V2417 PolarHBondContact O-N 3.11Å; I2415-V2417 VanDerWaalsContact C-N 3.32Å; I2415-V2417 PolarHBondContact O-N 3.11Å; V2417-R2419 VanDerWaalsContact C-N 3.34Å; V2417-R2420 PolarHBondContact O-N 3Å; V2417-K2421 WeakPolarHBondContact O-CG 3.4Å; V2417-K2421 PolarHBondContact O-N 3.06Å |
| 2418 | E | 81.2 | Confident | 79.5 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.065 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 174.1 | -59.1 | -48.2 | 123.8 | 0 | 0 | 111.9 | Q2398 M2401 L2402 L2405 M2414 I2415 R2420 K2421 L2422 | Q2398-E2418 PolarHBondContact NE2-OE2 3.29Å; Q2398-E2418 PolarHBondContact OE1-OE2 3.13Å; Q2398-E2418 VanDerWaalsContact OE1-OE2 3.06Å; M2401-E2418 HydrophobicContact CG-CG 4.48Å; M2401-E2418 HydrophobicContact SD-CG 4.05Å; M2401-E2418 VanDerWaalsContact SD-OE2 3.41Å; L2402-E2418 HydrophobicContact CD1-CB 4.34Å; L2402-E2418 HydrophobicContact CD2-CB 4.09Å; L2402-E2418 HydrophobicContact CG-CB 4.22Å; L2405-E2418 HydrophobicContact CD1-CB 4.31Å; L2405-E2418 HydrophobicContact CD1-CG 3.53Å; L2405-E2418 VanDerWaalsContact CD1-CG 3.5Å; M2414-E2418 PolarHBondContact O-N 3.07Å; M2414-E2418 VanDerWaalsContact O-N 3.14Å; I2415-E2418 PolarHBondContact O-N 2.97Å; E2418-R2420 VanDerWaalsContact C-N 3.33Å; E2418-R2420 PolarHBondContact O-N 3Å; E2418-K2421 WeakPolarHBondContact O-CB 3.41Å; E2418-K2421 PolarHBondContact O-N 3.15Å; E2418-K2421 VanDerWaalsContact O-N 3.1Å; E2418-K2421 IonicContact OE1-NZ 3.23Å; E2418-K2421 PolarHBondContact OE1-NZ 3.15Å; E2418-K2421 VanDerWaalsContact OE2-CD 3.25Å; E2418-K2421 WeakPolarHBondContact OE2-CD 3.32Å; E2418-K2421 IonicContact OE2-NZ 2.99Å; E2418-K2421 PolarHBondContact OE2-NZ 3.02Å; E2418-L2422 PolarHBondContact O-N 3.06Å |
| 2419 | R | 81.2 | Confident | 79.1 | Confident | 80.8 Ų | 80.8 | 64.7 Ų | 64.7 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 173.3 | -169.3 | -177.9 | -105.2 | 128 | -0.6 | 112 | L2402 E2412 I2415 E2416 V2417 K2421 L2422 Q2423 | L2402-R2419 HydrophobicContact CD1-CB 4.19Å; L2402-R2419 HydrophobicContact CD1-CG 4.39Å; L2402-R2419 HydrophobicContact CD2-CB 4.16Å; E2412-R2419 IonicContact OE1-CZ 2.68Å; E2412-R2419 VanDerWaalsContact OE1-CZ 3.26Å; E2412-R2419 IonicContact OE1-NH1 3.33Å; E2412-R2419 PolarHBondContact OE1-NH1 3.05Å; E2412-R2419 IonicContact OE1-NH2 3.39Å; E2412-R2419 PolarHBondContact OE1-NH2 3.06Å; I2415-R2419 VanDerWaalsContact O-CB 3.28Å; I2415-R2419 WeakPolarHBondContact O-CB 3.43Å; I2415-R2419 PolarHBondContact O-N 3.07Å; E2416-R2419 PolarHBondContact O-N 2.91Å; E2416-R2419 WeakPolarHBondContact OE2-CD 3.36Å; E2416-R2419 IonicContact OE2-CZ 3.15Å; E2416-R2419 IonicContact OE2-NH1 3.18Å; E2416-R2419 PolarHBondContact OE2-NH1 3.11Å; V2417-R2419 VanDerWaalsContact C-N 3.34Å; R2419-K2421 VanDerWaalsContact C-N 3.31Å; R2419-K2421 PolarHBondContact O-N 3.42Å; R2419-L2422 WeakPolarHBondContact O-CB 3.39Å; R2419-L2422 PolarHBondContact O-N 2.87Å; R2419-Q2423 WeakPolarHBondContact O-CG 3.43Å; R2419-Q2423 PolarHBondContact O-N 3.01Å |
| 2420 | R | 82.3 | Confident | 78.6 | Confident | 130.4 Ų | 130.4 | 64 Ų | 64 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 174.5 | -71.2 | 179.2 | -157.1 | 161.3 | 6.4 | 112.9 | E2416 V2417 E2418 Q2423 R2424 | E2416-R2420 WeakPolarHBondContact O-CG 3.34Å; E2416-R2420 PolarHBondContact O-N 3.25Å; E2416-R2420 IonicContact OE1-CZ 2.85Å; E2416-R2420 VanDerWaalsContact OE1-CZ 3.3Å; E2416-R2420 IonicContact OE1-NE 3.17Å; E2416-R2420 PolarHBondContact OE1-NE 2.99Å; E2416-R2420 IonicContact OE1-NH2 3.23Å; E2416-R2420 PolarHBondContact OE1-NH2 3.19Å; V2417-R2420 PolarHBondContact O-N 3Å; E2418-R2420 VanDerWaalsContact C-N 3.33Å; E2418-R2420 PolarHBondContact O-N 3Å; R2420-Q2423 PolarHBondContact O-N 3.33Å; R2420-R2424 WeakPolarHBondContact O-CB 3.38Å; R2420-R2424 WeakPolarHBondContact O-CD 3.42Å; R2420-R2424 VanDerWaalsContact O-CG 3.27Å; R2420-R2424 WeakPolarHBondContact O-CG 3.3Å; R2420-R2424 PolarHBondContact O-N 3.22Å; R2420-R2424 VanDerWaalsContact O-N 3.12Å |
| 2421 | K | 81.8 | Confident | 78.1 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 173.3 | -71.4 | 168.6 | 177.3 | 172.7 | 0 | 111.3 | Q2398 V2417 E2418 R2419 R2424 L2425 | Q2398-K2421 VanDerWaalsContact OE1-CB 3.24Å; V2417-K2421 WeakPolarHBondContact O-CG 3.4Å; V2417-K2421 PolarHBondContact O-N 3.06Å; E2418-K2421 WeakPolarHBondContact O-CB 3.41Å; E2418-K2421 PolarHBondContact O-N 3.15Å; E2418-K2421 VanDerWaalsContact O-N 3.1Å; E2418-K2421 IonicContact OE1-NZ 3.23Å; E2418-K2421 PolarHBondContact OE1-NZ 3.15Å; E2418-K2421 VanDerWaalsContact OE2-CD 3.25Å; E2418-K2421 WeakPolarHBondContact OE2-CD 3.32Å; E2418-K2421 IonicContact OE2-NZ 2.99Å; E2418-K2421 PolarHBondContact OE2-NZ 3.02Å; R2419-K2421 VanDerWaalsContact C-N 3.31Å; R2419-K2421 PolarHBondContact O-N 3.42Å; K2421-R2424 WeakPolarHBondContact O-CB 3.37Å; K2421-R2424 PolarHBondContact O-N 2.99Å; K2421-L2425 WeakPolarHBondContact O-CG 3.38Å; K2421-L2425 PolarHBondContact O-N 2.89Å; K2421-L2425 VanDerWaalsContact O-N 3.1Å |
| 2422 | L | 81.6 | Confident | 77.6 | Confident | 14.8 Ų | 14.8 | 63.5 Ų | 63.5 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 174.5 | -173.6 | 64.5 | 0 | 0 | 0 | 111.6 | P2006 T2007 M2395 Q2398 L2402 E2418 R2419 R2424 L2425 E2426 | P2006-L2422 HydrophobicContact CB-CD2 3.76Å; T2007-L2422 HydrophobicContact CG2-CB 4.18Å; T2007-L2422 HydrophobicContact CG2-CD2 3.77Å; T2007-L2422 HydrophobicContact CG2-CG 3.74Å; M2395-L2422 HydrophobicContact CB-CD1 4.16Å; M2395-L2422 HydrophobicContact CG-CD1 3.89Å; Q2398-L2422 HydrophobicContact CB-CD1 4.11Å; L2402-L2422 HydrophobicContact CD1-CB 4.14Å; L2402-L2422 HydrophobicContact CD1-CD2 3.82Å; L2402-L2422 HydrophobicContact CD1-CG 4.4Å; E2418-L2422 PolarHBondContact O-N 3.06Å; R2419-L2422 WeakPolarHBondContact O-CB 3.39Å; R2419-L2422 PolarHBondContact O-N 2.87Å; L2422-R2424 VanDerWaalsContact C-N 3.3Å; L2422-R2424 PolarHBondContact O-N 3.02Å; L2422-L2425 CarbonylContact O-C 3.57Å; L2422-L2425 WeakPolarHBondContact O-CA 3.31Å; L2422-L2425 WeakPolarHBondContact O-CB 3.33Å; L2422-L2425 PolarHBondContact O-N 3.06Å; L2422-L2425 VanDerWaalsContact O-N 3.1Å; L2422-E2426 WeakPolarHBondContact O-CB 3.5Å; L2422-E2426 WeakPolarHBondContact O-CG 3.43Å; L2422-E2426 PolarHBondContact O-N 2.86Å |
| 2423 | Q | 79.5 | Confident | 77 | Confident | 81.8 Ų | 81.8 | 60.7 Ų | 60.7 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.4 | -37 | 174.9 | -75.4 | 176.6 | -15.9 | 0 | 0 | 113.1 | T2007 R2419 R2420 E2426 T2427 | T2007-Q2423 HydrophobicContact CG2-CB 4.49Å; T2007-Q2423 HydrophobicContact CG2-CG 3.64Å; R2419-Q2423 WeakPolarHBondContact O-CG 3.43Å; R2419-Q2423 PolarHBondContact O-N 3.01Å; R2420-Q2423 PolarHBondContact O-N 3.33Å; Q2423-E2426 PolarHBondContact O-N 3.12Å; Q2423-T2427 WeakPolarHBondContact O-CB 3.41Å; Q2423-T2427 PolarHBondContact O-N 3.2Å; Q2423-T2427 VanDerWaalsContact O-N 3.08Å; Q2423-T2427 PolarHBondContact O-OG1 3.02Å |
| 2424 | R | 79.5 | Confident | 76.4 | Confident | 133.8 Ų | 133.8 | 60.4 Ų | 60.4 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 172.6 | -75.1 | 170.2 | 179 | -171.7 | -3.8 | 111.1 | E2354 R2420 K2421 L2422 E2426 T2427 F2428 | E2354-R2424 IonicContact OE1-CZ 2.66Å; E2354-R2424 IonicContact OE1-NE 3.15Å; E2354-R2424 PolarHBondContact OE1-NE 2.73Å; E2354-R2424 IonicContact OE1-NH1 3.37Å; E2354-R2424 PolarHBondContact OE1-NH1 3.02Å; E2354-R2424 IonicContact OE1-NH2 3.2Å; E2354-R2424 PolarHBondContact OE1-NH2 3.03Å; E2354-R2424 IonicContact OE2-CZ 2.73Å; E2354-R2424 VanDerWaalsContact OE2-CZ 3.27Å; E2354-R2424 IonicContact OE2-NE 3.47Å; E2354-R2424 IonicContact OE2-NH1 2.84Å; E2354-R2424 PolarHBondContact OE2-NH1 3.3Å; E2354-R2424 IonicContact OE2-NH2 3.13Å; R2420-R2424 WeakPolarHBondContact O-CB 3.38Å; R2420-R2424 WeakPolarHBondContact O-CD 3.42Å; R2420-R2424 VanDerWaalsContact O-CG 3.27Å; R2420-R2424 WeakPolarHBondContact O-CG 3.3Å; R2420-R2424 PolarHBondContact O-N 3.22Å; R2420-R2424 VanDerWaalsContact O-N 3.12Å; K2421-R2424 WeakPolarHBondContact O-CB 3.37Å; K2421-R2424 PolarHBondContact O-N 2.99Å; L2422-R2424 VanDerWaalsContact C-N 3.3Å; L2422-R2424 PolarHBondContact O-N 3.02Å; R2424-E2426 VanDerWaalsContact C-N 3.33Å; R2424-E2426 PolarHBondContact O-N 2.83Å; R2424-T2427 WeakPolarHBondContact O-CB 3.28Å; R2424-T2427 PolarHBondContact O-N 2.94Å; R2424-T2427 VanDerWaalsContact O-N 3.13Å; R2424-F2428 HydrophobicContact CB-CE2 4.38Å; R2424-F2428 WeakPolarHBondContact O-CD2 3.35Å; R2424-F2428 PolarHBondContact O-N 2.98Å |
| 2425 | L | 80.5 | Confident | 75.8 | Confident | 32.4 Ų | 32.4 | 61.1 Ų | 61.1 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 176.5 | -71.2 | 170.4 | 0 | 0 | 0 | 112.5 | I2391 R2394 M2395 Q2398 K2421 L2422 T2427 F2428 M2429 | I2391-L2425 HydrophobicContact CG2-CD2 4.24Å; R2394-L2425 HydrophobicContact CB-CD1 4.13Å; R2394-L2425 HydrophobicContact CB-CD2 4.26Å; M2395-L2425 HydrophobicContact CG-CB 3.66Å; M2395-L2425 HydrophobicContact CG-CD1 4.25Å; M2395-L2425 HydrophobicContact SD-CB 4.31Å; Q2398-L2425 HydrophobicContact CB-CD1 4.15Å; Q2398-L2425 HydrophobicContact CG-CD1 3.74Å; K2421-L2425 WeakPolarHBondContact O-CG 3.38Å; K2421-L2425 PolarHBondContact O-N 2.89Å; K2421-L2425 VanDerWaalsContact O-N 3.1Å; L2422-L2425 CarbonylContact O-C 3.57Å; L2422-L2425 WeakPolarHBondContact O-CA 3.31Å; L2422-L2425 WeakPolarHBondContact O-CB 3.33Å; L2422-L2425 PolarHBondContact O-N 3.06Å; L2422-L2425 VanDerWaalsContact O-N 3.1Å; L2425-T2427 VanDerWaalsContact C-N 3.34Å; L2425-T2427 PolarHBondContact O-N 3.24Å; L2425-F2428 PolarHBondContact O-N 2.92Å; L2425-M2429 WeakPolarHBondContact O-CB 3.36Å; L2425-M2429 WeakPolarHBondContact O-CG 3.32Å; L2425-M2429 PolarHBondContact O-N 3.02Å |
| 2426 | E | 73.3 | Confident | 75.2 | Confident | 36.4 Ų | 36.4 | 61.1 Ų | 61.1 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 172.3 | -76.5 | 179 | 166.9 | 0 | 0 | 111.6 | T2007 L2136 N2140 M2395 L2422 Q2423 R2424 F2428 M2429 Y2430 | T2007-E2426 VanDerWaalsContact CB-OE1 3.28Å; T2007-E2426 WeakPolarHBondContact CB-OE1 3.3Å; T2007-E2426 VanDerWaalsContact CB-OE2 3.28Å; T2007-E2426 WeakPolarHBondContact CB-OE2 3.39Å; T2007-E2426 HydrophobicContact CG2-CG 4.41Å; T2007-E2426 VanDerWaalsContact CG2-OE1 3.32Å; T2007-E2426 WeakPolarHBondContact CG2-OE1 3.06Å; T2007-E2426 WeakPolarHBondContact CG2-OE2 3.2Å; T2007-E2426 VanDerWaalsContact OG1-CD 3.23Å; T2007-E2426 PolarHBondContact OG1-OE1 2.82Å; T2007-E2426 PolarHBondContact OG1-OE2 2.89Å; L2136-E2426 HydrophobicContact CD2-CB 3.83Å; L2136-E2426 HydrophobicContact CD2-CG 4.21Å; N2140-E2426 PolarHBondContact ND2-OE1 3.01Å; M2395-E2426 HydrophobicContact CE-CB 4.46Å; M2395-E2426 HydrophobicContact CE-CG 3.49Å; M2395-E2426 VanDerWaalsContact CE-CG 3.42Å; M2395-E2426 HydrophobicContact SD-CG 4.11Å; L2422-E2426 WeakPolarHBondContact O-CB 3.5Å; L2422-E2426 WeakPolarHBondContact O-CG 3.43Å; L2422-E2426 PolarHBondContact O-N 2.86Å; Q2423-E2426 PolarHBondContact O-N 3.12Å; R2424-E2426 VanDerWaalsContact C-N 3.33Å; R2424-E2426 PolarHBondContact O-N 2.83Å; E2426-F2428 VanDerWaalsContact C-N 3.32Å; E2426-F2428 PolarHBondContact O-N 2.85Å; E2426-M2429 WeakPolarHBondContact O-CB 3.39Å; E2426-M2429 PolarHBondContact O-N 3.03Å; E2426-Y2430 VanDerWaalsContact O-CB 3.26Å; E2426-Y2430 WeakPolarHBondContact O-CB 3.41Å; E2426-Y2430 PolarHBondContact O-N 2.96Å |
| 2427 | T | 73.3 | Confident | 74.3 | Confident | 72.2 Ų | 72.2 | 63.2 Ų | 63.2 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | Q2423 R2424 L2425 Y2430 N2431 | Q2423-T2427 WeakPolarHBondContact O-CB 3.41Å; Q2423-T2427 PolarHBondContact O-N 3.2Å; Q2423-T2427 VanDerWaalsContact O-N 3.08Å; Q2423-T2427 PolarHBondContact O-OG1 3.02Å; R2424-T2427 WeakPolarHBondContact O-CB 3.28Å; R2424-T2427 PolarHBondContact O-N 2.94Å; R2424-T2427 VanDerWaalsContact O-N 3.13Å; L2425-T2427 VanDerWaalsContact C-N 3.34Å; L2425-T2427 PolarHBondContact O-N 3.24Å; T2427-Y2430 PolarHBondContact O-N 3.01Å; T2427-N2431 VanDerWaalsContact O-CB 3.3Å; T2427-N2431 WeakPolarHBondContact O-CB 3.44Å; T2427-N2431 VanDerWaalsContact O-CG 3.32Å; T2427-N2431 PolarHBondContact O-N 3.3Å; T2427-N2431 VanDerWaalsContact O-N 3.16Å; T2427-N2431 PolarHBondContact O-ND2 3.03Å; T2427-N2431 VanDerWaalsContact O-ND2 3.17Å |
| 2428 | F | 72.3 | Confident | 73.2 | Confident | 93.2 Ų | 93.2 | 62.5 Ų | 62.5 | 41% | 0.409 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 173.5 | -78.9 | -65.1 | 0 | 0 | 0 | 112.5 | E2354 P2357 R2424 L2425 E2426 Y2430 N2431 E2432 | E2354-F2428 VanDerWaalsContact OE2-CZ 3.27Å; E2354-F2428 WeakPolarHBondContact OE2-CZ 3.48Å; P2357-F2428 HydrophobicContact CB-CE1 4.35Å; P2357-F2428 HydrophobicContact CB-CE2 3.65Å; P2357-F2428 HydrophobicContact CB-CZ 3.36Å; P2357-F2428 HydrophobicContact CG-CD1 4.16Å; P2357-F2428 HydrophobicContact CG-CD2 4.32Å; P2357-F2428 HydrophobicContact CG-CE1 3.54Å; P2357-F2428 HydrophobicContact CG-CE2 3.85Å; P2357-F2428 HydrophobicContact CG-CZ 3.61Å; R2424-F2428 HydrophobicContact CB-CE2 4.38Å; R2424-F2428 WeakPolarHBondContact O-CD2 3.35Å; R2424-F2428 PolarHBondContact O-N 2.98Å; L2425-F2428 PolarHBondContact O-N 2.92Å; E2426-F2428 VanDerWaalsContact C-N 3.32Å; E2426-F2428 PolarHBondContact O-N 2.85Å; F2428-Y2430 PolarHBondContact O-N 2.64Å; F2428-N2431 PolarHBondContact O-N 3.16Å; F2428-E2432 WeakPolarHBondContact O-CB 3.35Å; F2428-E2432 PolarHBondContact O-N 3.14Å; F2428-E2432 VanDerWaalsContact O-N 3.09Å |
| 2429 | M | 71 | Confident | 72.3 | Confident | 14.6 Ų | 14.6 | 65.5 Ų | 65.5 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.5 | -104.8 | -84.3 | -74.7 | 0 | 0 | 111.4 | L2139 T2388 I2391 E2392 M2395 L2425 E2426 N2431 E2432 L2433 | L2139-M2429 HydrophobicContact CB-CE 4.14Å; L2139-M2429 HydrophobicContact CD1-CE 4.14Å; L2139-M2429 HydrophobicContact CD1-SD 3.88Å; L2139-M2429 HydrophobicContact CD2-CE 4.21Å; L2139-M2429 HydrophobicContact CD2-SD 4.1Å; L2139-M2429 HydrophobicContact CG-CE 4.26Å; L2139-M2429 HydrophobicContact CG-SD 4.37Å; T2388-M2429 HydrophobicContact CG2-CE 3.9Å; T2388-M2429 HydrophobicContact CG2-SD 4.22Å; I2391-M2429 HydrophobicContact CB-CG 4.16Å; I2391-M2429 HydrophobicContact CB-SD 3.54Å; I2391-M2429 WeakPolarHBondContact CB-SD 3.31Å; I2391-M2429 HydrophobicContact CD1-SD 4.29Å; I2391-M2429 HydrophobicContact CG1-SD 4.48Å; I2391-M2429 HydrophobicContact CG2-CB 3.64Å; I2391-M2429 HydrophobicContact CG2-CG 3.58Å; I2391-M2429 HydrophobicContact CG2-SD 3.46Å; I2391-M2429 VanDerWaalsContact CG2-SD 3.59Å; I2391-M2429 WeakPolarHBondContact CG2-SD 3.04Å; E2392-M2429 HydrophobicContact CB-CE 4.3Å; M2395-M2429 HydrophobicContact CE-CE 3.93Å; M2395-M2429 VanDerWaalsContact CE-CE 3.42Å; M2395-M2429 HydrophobicContact SD-CB 3.87Å; M2395-M2429 HydrophobicContact SD-CE 3.58Å; M2395-M2429 WeakPolarHBondContact SD-CE 3.47Å; M2395-M2429 HydrophobicContact SD-CG 4.24Å; L2425-M2429 WeakPolarHBondContact O-CB 3.36Å; L2425-M2429 WeakPolarHBondContact O-CG 3.32Å; L2425-M2429 PolarHBondContact O-N 3.02Å; E2426-M2429 WeakPolarHBondContact O-CB 3.39Å; E2426-M2429 PolarHBondContact O-N 3.03Å; M2429-N2431 VanDerWaalsContact C-N 3.34Å; M2429-N2431 PolarHBondContact O-N 3.22Å; M2429-E2432 PolarHBondContact O-N 3.19Å; M2429-L2433 HydrophobicContact CB-CD1 4.35Å; M2429-L2433 HydrophobicContact CE-CD1 4.1Å; M2429-L2433 HydrophobicContact CG-CD1 4.24Å; M2429-L2433 VanDerWaalsContact O-CB 3.27Å; M2429-L2433 WeakPolarHBondContact O-CB 3.33Å; M2429-L2433 WeakPolarHBondContact O-CD1 3.12Å; M2429-L2433 WeakPolarHBondContact O-CG 3.29Å; M2429-L2433 PolarHBondContact O-N 2.97Å; M2429-L2433 HydrophobicContact SD-CD1 3.45Å; M2429-L2433 WeakPolarHBondContact SD-CD1 3.46Å; M2429-L2433 HydrophobicContact SD-CG 4.16Å |
| 2430 | Y | 66.8 | Low | 71.5 | Confident | 50.2 Ų | 50.2 | 68.1 Ų | 68.1 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 175.7 | 168.2 | -93.9 | 0 | 0 | 0 | 111.7 | D2132 I2135 L2136 E2426 T2427 F2428 E2432 L2433 R2434 | D2132-Y2430 HydrophobicContact CB-CD2 4.47Å; D2132-Y2430 HydrophobicContact CB-CE2 3.97Å; D2132-Y2430 VanDerWaalsContact OD1-CE2 3.27Å; D2132-Y2430 WeakPolarHBondContact OD1-CE2 3.23Å; D2132-Y2430 VanDerWaalsContact OD1-CZ 3.24Å; D2132-Y2430 PolarHBondContact OD1-OH 3.09Å; I2135-Y2430 HydrophobicContact CG2-CD2 4.37Å; L2136-Y2430 HydrophobicContact CD1-CD2 4.04Å; L2136-Y2430 HydrophobicContact CD1-CE2 4.46Å; L2136-Y2430 HydrophobicContact CD2-CD2 3.98Å; L2136-Y2430 HydrophobicContact CG-CD2 4.04Å; E2426-Y2430 VanDerWaalsContact O-CB 3.26Å; E2426-Y2430 WeakPolarHBondContact O-CB 3.41Å; E2426-Y2430 PolarHBondContact O-N 2.96Å; T2427-Y2430 PolarHBondContact O-N 3.01Å; F2428-Y2430 PolarHBondContact O-N 2.64Å; Y2430-E2432 VanDerWaalsContact C-N 3.34Å; Y2430-E2432 PolarHBondContact O-N 3.31Å; Y2430-L2433 PolarHBondContact O-N 3.08Å; Y2430-R2434 VanDerWaalsContact O-CB 3.23Å; Y2430-R2434 WeakPolarHBondContact O-CB 3.27Å; Y2430-R2434 PolarHBondContact O-N 3.27Å; Y2430-R2434 VanDerWaalsContact OH-CD 3.23Å; Y2430-R2434 WeakPolarHBondContact OH-CD 3.43Å; Y2430-R2434 PolarHBondContact OH-NH1 3.08Å |
| 2431 | N | 68.6 | Low | 70.3 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.7 | -75.7 | -28 | 0 | 0 | 0 | 112.2 | T2427 F2428 M2429 R2435 | T2427-N2431 VanDerWaalsContact O-CB 3.3Å; T2427-N2431 WeakPolarHBondContact O-CB 3.44Å; T2427-N2431 VanDerWaalsContact O-CG 3.32Å; T2427-N2431 PolarHBondContact O-N 3.3Å; T2427-N2431 VanDerWaalsContact O-N 3.16Å; T2427-N2431 PolarHBondContact O-ND2 3.03Å; T2427-N2431 VanDerWaalsContact O-ND2 3.17Å; F2428-N2431 PolarHBondContact O-N 3.16Å; M2429-N2431 VanDerWaalsContact C-N 3.34Å; M2429-N2431 PolarHBondContact O-N 3.22Å; N2431-R2435 VanDerWaalsContact O-CB 3.23Å; N2431-R2435 WeakPolarHBondContact O-CB 3.39Å; N2431-R2435 WeakPolarHBondContact O-CG 3.44Å; N2431-R2435 PolarHBondContact O-N 3.14Å; N2431-R2435 VanDerWaalsContact O-N 3.15Å |
| 2432 | E | 71.4 | Confident | 68.9 | Low | 28.2 Ų | 28.2 | 67.2 Ų | 67.2 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.3 | -113.9 | -75.1 | -168.3 | 0 | 0 | 111.7 | F2384 R2387 I2391 F2428 M2429 Y2430 R2434 R2435 D2436 | F2384-E2432 HydrophobicContact CD2-CG 3.85Å; F2384-E2432 WeakPolarHBondContact CD2-OE2 3.43Å; F2384-E2432 HydrophobicContact CE2-CB 4.17Å; F2384-E2432 HydrophobicContact CE2-CG 3.65Å; F2384-E2432 VanDerWaalsContact CE2-O 3.28Å; F2384-E2432 WeakPolarHBondContact CE2-O 3.35Å; R2387-E2432 WeakPolarHBondContact CD-OE1 3.1Å; I2391-E2432 HydrophobicContact CD1-CG 4.04Å; F2428-E2432 WeakPolarHBondContact O-CB 3.35Å; F2428-E2432 PolarHBondContact O-N 3.14Å; F2428-E2432 VanDerWaalsContact O-N 3.09Å; M2429-E2432 PolarHBondContact O-N 3.19Å; Y2430-E2432 VanDerWaalsContact C-N 3.34Å; Y2430-E2432 PolarHBondContact O-N 3.31Å; E2432-R2434 PolarHBondContact O-N 3.32Å; E2432-R2435 CarbonylContact O-C 3.56Å; E2432-R2435 WeakPolarHBondContact O-CB 3.38Å; E2432-R2435 PolarHBondContact O-N 3.13Å; E2432-R2435 IonicContact OE1-CZ 3.46Å; E2432-R2435 IonicContact OE1-NH1 2.96Å; E2432-R2435 IonicContact OE1-NH2 3.32Å; E2432-R2435 PolarHBondContact OE1-NH2 3.12Å; E2432-R2435 IonicContact OE2-CZ 3.15Å; E2432-R2435 VanDerWaalsContact OE2-CZ 3.24Å; E2432-R2435 IonicContact OE2-NE 3.6Å; E2432-R2435 PolarHBondContact OE2-NE 2.97Å; E2432-R2435 VanDerWaalsContact OE2-NE 3.08Å; E2432-R2435 IonicContact OE2-NH2 3Å; E2432-R2435 PolarHBondContact OE2-NH2 2.91Å; E2432-D2436 PolarHBondContact O-N 2.9Å |
| 2433 | L | 68.6 | Low | 67.3 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | 177.5 | -74.3 | 168.3 | 0 | 0 | 0 | 113.1 | L2139 F2384 T2388 M2429 Y2430 R2435 D2436 F2437 | L2139-L2433 HydrophobicContact CD1-CB 4.12Å; L2139-L2433 HydrophobicContact CD1-CD1 3.65Å; L2139-L2433 VanDerWaalsContact CD1-CD1 3.41Å; L2139-L2433 HydrophobicContact CD2-CD1 3.42Å; L2139-L2433 VanDerWaalsContact CD2-CD1 3.42Å; L2139-L2433 HydrophobicContact CG-CD1 4.01Å; F2384-L2433 HydrophobicContact CZ-CD2 4.22Å; T2388-L2433 HydrophobicContact CG2-CD2 4.39Å; T2388-L2433 HydrophobicContact CG2-CG 4.38Å; M2429-L2433 HydrophobicContact CB-CD1 4.35Å; M2429-L2433 HydrophobicContact CE-CD1 4.1Å; M2429-L2433 HydrophobicContact CG-CD1 4.24Å; M2429-L2433 VanDerWaalsContact O-CB 3.27Å; M2429-L2433 WeakPolarHBondContact O-CB 3.33Å; M2429-L2433 WeakPolarHBondContact O-CD1 3.12Å; M2429-L2433 WeakPolarHBondContact O-CG 3.29Å; M2429-L2433 PolarHBondContact O-N 2.97Å; M2429-L2433 HydrophobicContact SD-CD1 3.45Å; M2429-L2433 WeakPolarHBondContact SD-CD1 3.46Å; M2429-L2433 HydrophobicContact SD-CG 4.16Å; Y2430-L2433 PolarHBondContact O-N 3.08Å; L2433-R2435 VanDerWaalsContact C-N 3.33Å; L2433-D2436 CarbonylContact O-C 3.44Å; L2433-D2436 PolarHBondContact O-N 2.9Å; L2433-F2437 VanDerWaalsContact O-CB 3.3Å; L2433-F2437 WeakPolarHBondContact O-CB 3.4Å; L2433-F2437 PolarHBondContact O-N 3Å |
| 2434 | R | 65.9 | Low | 65.6 | Low | 47.6 Ų | 47.6 | 73.9 Ų | 73.9 | 18% | 0.18 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 172 | -177.5 | 171.8 | 174.8 | 163.2 | -3.1 | 109.9 | D2132 S2342 L2343 S2345 Y2430 E2432 D2436 F2437 F2438 | D2132-R2434 IonicContact OD1-NH1 2.74Å; D2132-R2434 PolarHBondContact OD1-NH1 2.86Å; D2132-R2434 IonicContact OD2-NH1 3.25Å; S2342-R2434 PolarHBondContact O-NH2 2.96Å; L2343-R2434 VanDerWaalsContact O-CZ 3.28Å; L2343-R2434 PolarHBondContact O-NE 3Å; L2343-R2434 PolarHBondContact O-NH2 2.93Å; L2343-R2434 VanDerWaalsContact O-NH2 3.13Å; S2345-R2434 PolarHBondContact O-NH2 3.36Å; Y2430-R2434 VanDerWaalsContact O-CB 3.23Å; Y2430-R2434 WeakPolarHBondContact O-CB 3.27Å; Y2430-R2434 PolarHBondContact O-N 3.27Å; Y2430-R2434 VanDerWaalsContact OH-CD 3.23Å; Y2430-R2434 WeakPolarHBondContact OH-CD 3.43Å; Y2430-R2434 PolarHBondContact OH-NH1 3.08Å; E2432-R2434 PolarHBondContact O-N 3.32Å; R2434-D2436 VanDerWaalsContact C-N 3.31Å; R2434-D2436 PolarHBondContact O-N 3.08Å; R2434-F2437 PolarHBondContact O-N 3.1Å; R2434-F2438 HydrophobicContact CG-CD2 3.89Å; R2434-F2438 HydrophobicContact CG-CE2 4.06Å; R2434-F2438 WeakPolarHBondContact O-CB 3.31Å; R2434-F2438 VanDerWaalsContact O-CD2 3.25Å; R2434-F2438 WeakPolarHBondContact O-CD2 3.38Å; R2434-F2438 PolarHBondContact O-N 3.05Å |
| 2435 | R | 67.3 | Low | 63.9 | Low | 108.4 Ų | 108.4 | 70.6 Ų | 70.6 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 173.8 | -136.5 | 179.8 | 87.9 | 177.6 | -0.7 | 111.9 | E2346 N2431 E2432 L2433 F2438 Q2439 | E2346-R2435 WeakPolarHBondContact OE1-CD 3.39Å; E2346-R2435 VanDerWaalsContact OE1-CG 3.26Å; E2346-R2435 WeakPolarHBondContact OE1-CG 3.31Å; N2431-R2435 VanDerWaalsContact O-CB 3.23Å; N2431-R2435 WeakPolarHBondContact O-CB 3.39Å; N2431-R2435 WeakPolarHBondContact O-CG 3.44Å; N2431-R2435 PolarHBondContact O-N 3.14Å; N2431-R2435 VanDerWaalsContact O-N 3.15Å; E2432-R2435 CarbonylContact O-C 3.56Å; E2432-R2435 WeakPolarHBondContact O-CB 3.38Å; E2432-R2435 PolarHBondContact O-N 3.13Å; E2432-R2435 IonicContact OE1-CZ 3.46Å; E2432-R2435 IonicContact OE1-NH1 2.96Å; E2432-R2435 IonicContact OE1-NH2 3.32Å; E2432-R2435 PolarHBondContact OE1-NH2 3.12Å; E2432-R2435 IonicContact OE2-CZ 3.15Å; E2432-R2435 VanDerWaalsContact OE2-CZ 3.24Å; E2432-R2435 IonicContact OE2-NE 3.6Å; E2432-R2435 PolarHBondContact OE2-NE 2.97Å; E2432-R2435 VanDerWaalsContact OE2-NE 3.08Å; E2432-R2435 IonicContact OE2-NH2 3Å; E2432-R2435 PolarHBondContact OE2-NH2 2.91Å; L2433-R2435 VanDerWaalsContact C-N 3.33Å; R2435-F2438 PolarHBondContact O-N 3.06Å; R2435-Q2439 HydrophobicContact CG-CG 4.44Å; R2435-Q2439 WeakPolarHBondContact O-CA 3.4Å; R2435-Q2439 VanDerWaalsContact O-CB 3.24Å; R2435-Q2439 WeakPolarHBondContact O-CB 3.31Å; R2435-Q2439 VanDerWaalsContact O-CG 3.23Å; R2435-Q2439 WeakPolarHBondContact O-CG 3.38Å; R2435-Q2439 PolarHBondContact O-N 3.19Å |
| 2436 | D | 68.2 | Low | 61.9 | Low | 16.8 Ų | 16.8 | 74.1 Ų | 74.1 | 9% | 0.09 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.6 | -37.4 | 177 | -173.9 | 46 | 0 | 0 | 0 | 113.1 | F2384 E2432 L2433 R2434 F2438 Q2439 R2440 | F2384-D2436 HydrophobicContact CD1-CB 4.05Å; F2384-D2436 HydrophobicContact CD2-CB 4.25Å; F2384-D2436 HydrophobicContact CE1-CB 3.71Å; F2384-D2436 VanDerWaalsContact CE1-CB 3.45Å; F2384-D2436 VanDerWaalsContact CE1-CG 3.43Å; F2384-D2436 VanDerWaalsContact CE1-OD2 3.24Å; F2384-D2436 WeakPolarHBondContact CE1-OD2 3.26Å; F2384-D2436 HydrophobicContact CE2-CB 3.57Å; F2384-D2436 VanDerWaalsContact CE2-CB 3.45Å; F2384-D2436 HydrophobicContact CG-CB 4.3Å; F2384-D2436 HydrophobicContact CZ-CB 3.26Å; F2384-D2436 VanDerWaalsContact CZ-CG 3.42Å; F2384-D2436 WeakPolarHBondContact CZ-OD2 3.41Å; E2432-D2436 PolarHBondContact O-N 2.9Å; L2433-D2436 CarbonylContact O-C 3.44Å; L2433-D2436 PolarHBondContact O-N 2.9Å; R2434-D2436 VanDerWaalsContact C-N 3.31Å; R2434-D2436 PolarHBondContact O-N 3.08Å; D2436-F2438 VanDerWaalsContact C-N 3.29Å; D2436-F2438 PolarHBondContact O-N 3.04Å; D2436-Q2439 CarbonylContact O-C 3.53Å; D2436-Q2439 PolarHBondContact O-N 2.98Å; D2436-R2440 VanDerWaalsContact O-CB 3.29Å; D2436-R2440 WeakPolarHBondContact O-CB 3.31Å; D2436-R2440 VanDerWaalsContact O-CG 3.24Å; D2436-R2440 WeakPolarHBondContact O-CG 3.36Å; D2436-R2440 PolarHBondContact O-N 3.06Å; D2436-R2440 IonicContact OD1-NE 3.01Å; D2436-R2440 IonicContact OD2-CZ 2.96Å; D2436-R2440 IonicContact OD2-NE 3.34Å; D2436-R2440 PolarHBondContact OD2-NE 3.07Å; D2436-R2440 IonicContact OD2-NH2 3.18Å; D2436-R2440 PolarHBondContact OD2-NH2 3.08Å |
| 2437 | F | 62.1 | Low | 60.2 | Low | 99.2 Ų | 99.2 | 80.1 Ų | 80.1 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.3 | -179.8 | -103.4 | 0 | 0 | 0 | 111.3 | I2135 W2138 L2433 R2434 Q2439 R2440 I2441 | I2135-F2437 HydrophobicContact CD1-CD1 4.12Å; I2135-F2437 HydrophobicContact CD1-CE1 3.75Å; I2135-F2437 HydrophobicContact CD1-CZ 4.29Å; I2135-F2437 HydrophobicContact CG1-CE1 4.37Å; I2135-F2437 HydrophobicContact CG1-CZ 4.44Å; W2138-F2437 HydrophobicContact CZ3-CE2 4.48Å; L2433-F2437 VanDerWaalsContact O-CB 3.3Å; L2433-F2437 WeakPolarHBondContact O-CB 3.4Å; L2433-F2437 PolarHBondContact O-N 3Å; R2434-F2437 PolarHBondContact O-N 3.1Å; F2437-Q2439 VanDerWaalsContact C-N 3.34Å; F2437-Q2439 PolarHBondContact O-N 2.95Å; F2437-R2440 CarbonylContact O-C 3.51Å; F2437-R2440 WeakPolarHBondContact O-CA 3.17Å; F2437-R2440 WeakPolarHBondContact O-CB 3.26Å; F2437-R2440 PolarHBondContact O-N 3.18Å; F2437-R2440 VanDerWaalsContact O-N 3.1Å; F2437-I2441 HydrophobicContact CD1-CD1 3.91Å; F2437-I2441 HydrophobicContact CE1-CD1 3.35Å; F2437-I2441 VanDerWaalsContact CE1-CD1 3.44Å; F2437-I2441 HydrophobicContact CE1-CG1 4.39Å; F2437-I2441 HydrophobicContact CE2-CD1 4.29Å; F2437-I2441 HydrophobicContact CG-CD1 4.38Å; F2437-I2441 HydrophobicContact CZ-CD1 3.6Å; F2437-I2441 VanDerWaalsContact CZ-CD1 3.45Å; F2437-I2441 HydrophobicContact CZ-CG1 4.42Å; F2437-I2441 WeakPolarHBondContact O-CG1 3.38Å; F2437-I2441 PolarHBondContact O-N 2.91Å |
| 2438 | F | 61.6 | Low | 58.4 | Low | 55 Ų | 55 | 81.4 Ų | 81.4 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.8 | -32.9 | 173.9 | -81.6 | -76.1 | 0 | 0 | 0 | 112.7 | L2343 A2344 R2434 R2435 D2436 R2440 I2441 K2442 | L2343-F2438 VanDerWaalsContact O-CE2 3.24Å; L2343-F2438 WeakPolarHBondContact O-CE2 3.3Å; L2343-F2438 WeakPolarHBondContact O-CZ 3.31Å; A2344-F2438 VanDerWaalsContact CA-CZ 3.45Å; A2344-F2438 HydrophobicContact CB-CD1 3.95Å; A2344-F2438 HydrophobicContact CB-CE1 3.73Å; A2344-F2438 VanDerWaalsContact CB-CE1 3.45Å; A2344-F2438 HydrophobicContact CB-CE2 4.32Å; A2344-F2438 HydrophobicContact CB-CZ 3.65Å; R2434-F2438 HydrophobicContact CG-CD2 3.89Å; R2434-F2438 HydrophobicContact CG-CE2 4.06Å; R2434-F2438 WeakPolarHBondContact O-CB 3.31Å; R2434-F2438 VanDerWaalsContact O-CD2 3.25Å; R2434-F2438 WeakPolarHBondContact O-CD2 3.38Å; R2434-F2438 PolarHBondContact O-N 3.05Å; R2435-F2438 PolarHBondContact O-N 3.06Å; D2436-F2438 VanDerWaalsContact C-N 3.29Å; D2436-F2438 PolarHBondContact O-N 3.04Å; F2438-R2440 VanDerWaalsContact C-N 3.31Å; F2438-R2440 PolarHBondContact O-N 2.96Å; F2438-I2441 HydrophobicContact CD1-CD1 4.36Å; F2438-I2441 HydrophobicContact CE1-CD1 4.3Å; F2438-I2441 PolarHBondContact O-N 3.32Å; F2438-K2442 VanDerWaalsContact O-CB 3.23Å; F2438-K2442 WeakPolarHBondContact O-CB 3.25Å; F2438-K2442 VanDerWaalsContact O-CG 3.24Å; F2438-K2442 WeakPolarHBondContact O-CG 3.29Å; F2438-K2442 PolarHBondContact O-N 3.05Å |
| 2439 | Q | 62.4 | Low | 56.6 | Low | 76.6 Ų | 76.6 | 78.6 Ų | 78.6 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -29.5 | 168.3 | -80 | -172.5 | 28.3 | 0 | 0 | 112.2 | R2435 D2436 F2437 K2442 K2443 | R2435-Q2439 HydrophobicContact CG-CG 4.44Å; R2435-Q2439 WeakPolarHBondContact O-CA 3.4Å; R2435-Q2439 VanDerWaalsContact O-CB 3.24Å; R2435-Q2439 WeakPolarHBondContact O-CB 3.31Å; R2435-Q2439 VanDerWaalsContact O-CG 3.23Å; R2435-Q2439 WeakPolarHBondContact O-CG 3.38Å; R2435-Q2439 PolarHBondContact O-N 3.19Å; D2436-Q2439 CarbonylContact O-C 3.53Å; D2436-Q2439 PolarHBondContact O-N 2.98Å; F2437-Q2439 VanDerWaalsContact C-N 3.34Å; F2437-Q2439 PolarHBondContact O-N 2.95Å; Q2439-K2442 CarbonylContact O-C 3.55Å; Q2439-K2443 HydrophobicContact CB-CD 4.42Å; Q2439-K2443 WeakPolarHBondContact O-CA 3.41Å; Q2439-K2443 WeakPolarHBondContact O-CB 3.47Å; Q2439-K2443 VanDerWaalsContact O-CD 3.28Å; Q2439-K2443 WeakPolarHBondContact O-CD 3.33Å; Q2439-K2443 WeakPolarHBondContact O-CG 3.38Å; Q2439-K2443 PolarHBondContact O-N 2.92Å; Q2439-K2443 VanDerWaalsContact OE1-NZ 3.13Å |
| 2440 | R | 62.6 | Low | 54.8 | Low | 135.8 Ų | 135.8 | 81.4 Ų | 81.4 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.2 | -37.5 | 175.4 | -76.7 | 179.2 | -160.8 | -170.5 | 10.4 | 111.5 | D2436 F2437 F2438 K2443 Q2444 | D2436-R2440 VanDerWaalsContact O-CB 3.29Å; D2436-R2440 WeakPolarHBondContact O-CB 3.31Å; D2436-R2440 VanDerWaalsContact O-CG 3.24Å; D2436-R2440 WeakPolarHBondContact O-CG 3.36Å; D2436-R2440 PolarHBondContact O-N 3.06Å; D2436-R2440 IonicContact OD1-NE 3.01Å; D2436-R2440 IonicContact OD2-CZ 2.96Å; D2436-R2440 IonicContact OD2-NE 3.34Å; D2436-R2440 PolarHBondContact OD2-NE 3.07Å; D2436-R2440 IonicContact OD2-NH2 3.18Å; D2436-R2440 PolarHBondContact OD2-NH2 3.08Å; F2437-R2440 CarbonylContact O-C 3.51Å; F2437-R2440 WeakPolarHBondContact O-CA 3.17Å; F2437-R2440 WeakPolarHBondContact O-CB 3.26Å; F2437-R2440 PolarHBondContact O-N 3.18Å; F2437-R2440 VanDerWaalsContact O-N 3.1Å; F2438-R2440 VanDerWaalsContact C-N 3.31Å; F2438-R2440 PolarHBondContact O-N 2.96Å; R2440-K2443 CarbonylContact O-C 3.56Å; R2440-K2443 PolarHBondContact O-N 2.91Å; R2440-Q2444 WeakPolarHBondContact O-CA 3.27Å; R2440-Q2444 VanDerWaalsContact O-CB 3.26Å; R2440-Q2444 WeakPolarHBondContact O-CB 3.37Å; R2440-Q2444 WeakPolarHBondContact O-CG 3.41Å; R2440-Q2444 PolarHBondContact O-N 3.03Å |
| 2441 | I | 58.4 | Low | 53.1 | Low | 76.6 Ų | 76.6 | 84.1 Ų | 84.1 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -50 | 169.8 | -70.9 | 175.7 | 0 | 0 | 0 | 109.5 | F2437 F2438 K2443 Q2444 S2445 | F2437-I2441 HydrophobicContact CD1-CD1 3.91Å; F2437-I2441 HydrophobicContact CE1-CD1 3.35Å; F2437-I2441 VanDerWaalsContact CE1-CD1 3.44Å; F2437-I2441 HydrophobicContact CE1-CG1 4.39Å; F2437-I2441 HydrophobicContact CE2-CD1 4.29Å; F2437-I2441 HydrophobicContact CG-CD1 4.38Å; F2437-I2441 HydrophobicContact CZ-CD1 3.6Å; F2437-I2441 VanDerWaalsContact CZ-CD1 3.45Å; F2437-I2441 HydrophobicContact CZ-CG1 4.42Å; F2437-I2441 WeakPolarHBondContact O-CG1 3.38Å; F2437-I2441 PolarHBondContact O-N 2.91Å; F2438-I2441 HydrophobicContact CD1-CD1 4.36Å; F2438-I2441 HydrophobicContact CE1-CD1 4.3Å; F2438-I2441 PolarHBondContact O-N 3.32Å; I2441-K2443 VanDerWaalsContact C-N 3.31Å; I2441-K2443 PolarHBondContact O-N 3.09Å; I2441-Q2444 PolarHBondContact O-N 3.08Å; I2441-Q2444 VanDerWaalsContact O-N 3.08Å; I2441-S2445 WeakPolarHBondContact O-CB 3.18Å; I2441-S2445 PolarHBondContact O-N 3.23Å; I2441-S2445 PolarHBondContact O-OG 3.05Å |
| 2442 | K | 51.7 | Low | 51.4 | Low | 121.4 Ų | 121.4 | 85.4 Ų | 85.4 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 172.8 | -74.6 | -179.7 | 177.3 | -179.6 | 0 | 111.6 | F2438 Q2439 Q2444 S2445 H2446 | F2438-K2442 VanDerWaalsContact O-CB 3.23Å; F2438-K2442 WeakPolarHBondContact O-CB 3.25Å; F2438-K2442 VanDerWaalsContact O-CG 3.24Å; F2438-K2442 WeakPolarHBondContact O-CG 3.29Å; F2438-K2442 PolarHBondContact O-N 3.05Å; Q2439-K2442 CarbonylContact O-C 3.55Å; K2442-Q2444 VanDerWaalsContact C-N 3.32Å; K2442-Q2444 PolarHBondContact O-N 3.08Å; K2442-S2445 WeakPolarHBondContact CA-OG 3.47Å; K2442-S2445 CarbonylContact O-C 3.57Å; K2442-S2445 PolarHBondContact O-N 2.96Å; K2442-S2445 PolarHBondContact O-OG 3.06Å; K2442-H2446 WeakPolarHBondContact O-CA 3.35Å; K2442-H2446 WeakPolarHBondContact O-CB 3.35Å; K2442-H2446 PolarHBondContact O-CD2 2.9Å; K2442-H2446 VanDerWaalsContact O-CG 3.31Å; K2442-H2446 PolarHBondContact O-N 2.98Å |
| 2443 | K | 48.3 | Very low | 49.6 | Very low | 104 Ų | 104 | 95.1 Ų | 95.1 | 45% | 0.452 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -79.3 | -11.9 | 176.3 | -72 | 165.2 | -174.3 | 165.6 | 0 | 113.3 | Q2439 R2440 I2441 H2446 K2447 | Q2439-K2443 HydrophobicContact CB-CD 4.42Å; Q2439-K2443 WeakPolarHBondContact O-CA 3.41Å; Q2439-K2443 WeakPolarHBondContact O-CB 3.47Å; Q2439-K2443 VanDerWaalsContact O-CD 3.28Å; Q2439-K2443 WeakPolarHBondContact O-CD 3.33Å; Q2439-K2443 WeakPolarHBondContact O-CG 3.38Å; Q2439-K2443 PolarHBondContact O-N 2.92Å; Q2439-K2443 VanDerWaalsContact OE1-NZ 3.13Å; R2440-K2443 CarbonylContact O-C 3.56Å; R2440-K2443 PolarHBondContact O-N 2.91Å; I2441-K2443 VanDerWaalsContact C-N 3.31Å; I2441-K2443 PolarHBondContact O-N 3.09Å; K2443-H2446 PolarHBondContact O-N 2.71Å; K2443-K2447 HydrophobicContact CB-CG 4.3Å; K2443-K2447 VanDerWaalsContact O-CA 3.31Å; K2443-K2447 WeakPolarHBondContact O-CA 3.42Å; K2443-K2447 VanDerWaalsContact O-CB 3.25Å; K2443-K2447 WeakPolarHBondContact O-CB 3.33Å; K2443-K2447 WeakPolarHBondContact O-CG 3.24Å; K2443-K2447 PolarHBondContact O-N 2.94Å |
| 2444 | Q | 44.6 | Very low | 47.9 | Very low | 133.4 Ų | 133.4 | 100.1 Ų | 100.1 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -84.7 | -41.8 | 166.7 | -84.5 | -179.3 | -62.8 | 0 | 0 | 109.4 | R2440 I2441 K2442 H2446 K2447 L2448 | R2440-Q2444 WeakPolarHBondContact O-CA 3.27Å; R2440-Q2444 VanDerWaalsContact O-CB 3.26Å; R2440-Q2444 WeakPolarHBondContact O-CB 3.37Å; R2440-Q2444 WeakPolarHBondContact O-CG 3.41Å; R2440-Q2444 PolarHBondContact O-N 3.03Å; I2441-Q2444 PolarHBondContact O-N 3.08Å; I2441-Q2444 VanDerWaalsContact O-N 3.08Å; K2442-Q2444 VanDerWaalsContact C-N 3.32Å; K2442-Q2444 PolarHBondContact O-N 3.08Å; Q2444-H2446 VanDerWaalsContact C-N 3.3Å; Q2444-H2446 PolarHBondContact O-N 3.1Å; Q2444-H2446 VanDerWaalsContact O-N 3.12Å; Q2444-K2447 PolarHBondContact O-N 3.02Å; Q2444-K2447 VanDerWaalsContact O-N 3.14Å; Q2444-L2448 WeakPolarHBondContact O-CB 3.19Å; Q2444-L2448 WeakPolarHBondContact O-CD1 3.42Å; Q2444-L2448 WeakPolarHBondContact O-CG 3.44Å; Q2444-L2448 PolarHBondContact O-N 2.91Å; Q2444-L2448 VanDerWaalsContact O-N 3.11Å |
| 2445 | S | 42.1 | Very low | 46.3 | Very low | 65 Ų | 65 | 105.7 Ų | 105.7 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -29.8 | 168.2 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | I2441 K2442 S2449 | I2441-S2445 WeakPolarHBondContact O-CB 3.18Å; I2441-S2445 PolarHBondContact O-N 3.23Å; I2441-S2445 PolarHBondContact O-OG 3.05Å; K2442-S2445 WeakPolarHBondContact CA-OG 3.47Å; K2442-S2445 CarbonylContact O-C 3.57Å; K2442-S2445 PolarHBondContact O-N 2.96Å; K2442-S2445 PolarHBondContact O-OG 3.06Å; S2445-S2449 WeakPolarHBondContact O-CB 3.38Å; S2445-S2449 PolarHBondContact O-OG 2.99Å |
| 2446 | H | 38.9 | Very low | 44.4 | Very low | 106 Ų | 106 | 111.6 Ų | 111.6 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -94.4 | -20.8 | 175.4 | -67.2 | -61 | 0 | 0 | 0 | 115.1 | K2442 K2443 Q2444 L2448 S2449 A2450 | K2442-H2446 WeakPolarHBondContact O-CA 3.35Å; K2442-H2446 WeakPolarHBondContact O-CB 3.35Å; K2442-H2446 PolarHBondContact O-CD2 2.9Å; K2442-H2446 VanDerWaalsContact O-CG 3.31Å; K2442-H2446 PolarHBondContact O-N 2.98Å; K2443-H2446 PolarHBondContact O-N 2.71Å; Q2444-H2446 VanDerWaalsContact C-N 3.3Å; Q2444-H2446 PolarHBondContact O-N 3.1Å; Q2444-H2446 VanDerWaalsContact O-N 3.12Å; H2446-L2448 VanDerWaalsContact C-N 3.29Å; H2446-L2448 PolarHBondContact O-N 2.93Å; H2446-S2449 CarbonylContact O-C 3.54Å; H2446-S2449 VanDerWaalsContact O-C 3.27Å; H2446-S2449 VanDerWaalsContact O-CA 3.23Å; H2446-S2449 WeakPolarHBondContact O-CA 3.31Å; H2446-S2449 PolarHBondContact O-N 2.97Å; H2446-S2449 VanDerWaalsContact O-N 3.14Å; H2446-A2450 WeakPolarHBondContact O-CA 3.42Å; H2446-A2450 VanDerWaalsContact O-CB 3.26Å; H2446-A2450 WeakPolarHBondContact O-CB 3.43Å; H2446-A2450 PolarHBondContact O-N 3.05Å |
| 2447 | K | 37.6 | Very low | 42.6 | Very low | 162.8 Ų | 162.8 | 116.7 Ų | 116.7 | 71% | 0.708 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77 | -22.8 | 171.2 | -87.6 | -178.8 | 170.3 | -172.3 | 0 | 112.8 | K2443 Q2444 S2449 | K2443-K2447 HydrophobicContact CB-CG 4.3Å; K2443-K2447 VanDerWaalsContact O-CA 3.31Å; K2443-K2447 WeakPolarHBondContact O-CA 3.42Å; K2443-K2447 VanDerWaalsContact O-CB 3.25Å; K2443-K2447 WeakPolarHBondContact O-CB 3.33Å; K2443-K2447 WeakPolarHBondContact O-CG 3.24Å; K2443-K2447 PolarHBondContact O-N 2.94Å; Q2444-K2447 PolarHBondContact O-N 3.02Å; Q2444-K2447 VanDerWaalsContact O-N 3.14Å; K2447-S2449 PolarHBondContact O-N 2.88Å |
| 2448 | L | 36.1 | Very low | 41.1 | Very low | 98.8 Ų | 98.8 | 117.1 Ų | 117.1 | 52% | 0.517 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | 1.9 | 163.3 | -64.7 | 169 | 0 | 0 | 0 | 112 | Q2444 H2446 S2758 F2759 P2760 | Q2444-L2448 WeakPolarHBondContact O-CB 3.19Å; Q2444-L2448 WeakPolarHBondContact O-CD1 3.42Å; Q2444-L2448 WeakPolarHBondContact O-CG 3.44Å; Q2444-L2448 PolarHBondContact O-N 2.91Å; Q2444-L2448 VanDerWaalsContact O-N 3.11Å; H2446-L2448 VanDerWaalsContact C-N 3.29Å; H2446-L2448 PolarHBondContact O-N 2.93Å; L2448-S2758 CarbonylContact O-C 3.5Å; L2448-F2759 HydrophobicContact CB-CD2 3.4Å; L2448-F2759 HydrophobicContact CB-CE2 3.57Å; L2448-F2759 HydrophobicContact CB-CG 4.16Å; L2448-F2759 HydrophobicContact CB-CZ 4.45Å; L2448-F2759 HydrophobicContact CD1-CD2 4.08Å; L2448-F2759 HydrophobicContact CD1-CE1 4.45Å; L2448-F2759 HydrophobicContact CD1-CE2 3.34Å; L2448-F2759 HydrophobicContact CD1-CZ 3.56Å; L2448-F2759 HydrophobicContact CG-CD2 4.3Å; L2448-F2759 HydrophobicContact CG-CE2 4.03Å; L2448-F2759 WeakPolarHBondContact O-CA 3.02Å; L2448-F2759 PolarHBondContact O-N 3.1Å; L2448-P2760 HydrophobicContact CD2-CG 3.61Å |
| 2449 | S | 34.8 | Very low | 39.6 | Very low | 35 Ų | 35 | 122 Ų | 122 | 25% | 0.245 | 63% | 0.626 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -138.5 | 5.6 | -179.4 | -53.4 | 0 | 0 | 0 | 0 | 116.4 | S2445 H2446 K2447 A2755 S2758 F2759 P2760 | S2445-S2449 WeakPolarHBondContact O-CB 3.38Å; S2445-S2449 PolarHBondContact O-OG 2.99Å; H2446-S2449 CarbonylContact O-C 3.54Å; H2446-S2449 VanDerWaalsContact O-C 3.27Å; H2446-S2449 VanDerWaalsContact O-CA 3.23Å; H2446-S2449 WeakPolarHBondContact O-CA 3.31Å; H2446-S2449 PolarHBondContact O-N 2.97Å; H2446-S2449 VanDerWaalsContact O-N 3.14Å; K2447-S2449 PolarHBondContact O-N 2.88Å; S2449-A2755 WeakPolarHBondContact OG-CA 3.38Å; S2449-A2755 PolarHBondContact OG-O 3.08Å; S2449-S2758 WeakPolarHBondContact O-CB 3.4Å; S2449-S2758 PolarHBondContact O-OG 2.87Å; S2449-F2759 VanDerWaalsContact OG-CE2 3.26Å; S2449-F2759 WeakPolarHBondContact OG-CE2 3.42Å; S2449-P2760 WeakPolarHBondContact O-CD 3.4Å; S2449-P2760 WeakPolarHBondContact O-CG 3.34Å |
| 2450 | A | 31.9 | Very low | 38.1 | Very low | 72.4 Ų | 72.4 | 124.3 Ų | 124.3 | 60% | 0.598 | 65% | 0.645 | S | S | * | * | trans | -154.2 | 73.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H2446 | H2446-A2450 WeakPolarHBondContact O-CA 3.42Å; H2446-A2450 VanDerWaalsContact O-CB 3.26Å; H2446-A2450 WeakPolarHBondContact O-CB 3.43Å; H2446-A2450 PolarHBondContact O-N 3.05Å | ||
| 2451 | S | 31.4 | Very low | 36.4 | Very low | 106.8 Ų | 106.8 | 122.2 Ų | 122.2 | 75% | 0.747 | 65% | 0.651 | S | S | * | * | trans | -117 | 94.4 | 166.2 | 115.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2452 | S | 33.2 | Very low | 34.9 | Very low | 97.6 Ų | 97.6 | 129.3 Ų | 129.3 | 68% | 0.683 | 67% | 0.674 | S | S | * | * | trans | 107.6 | 88.9 | 173.3 | -167.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2453 | R | 33.5 | Very low | 33.8 | Very low | 231 Ų | 231 | 129.6 Ų | 129.6 | 87% | 0.872 | 69% | 0.686 | S | S | * | * | trans | -147.6 | 107.2 | 144.5 | -126.4 | 176.9 | -178.7 | 174.6 | -0.9 | 110 | ||||
| 2454 | D | 32.4 | Very low | 32.9 | Very low | 151.4 Ų | 151.4 | 128.4 Ų | 128.4 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | trans | -51.3 | 134.4 | 165.4 | -79.7 | -42.4 | 0 | 0 | 0 | 113.2 | R2456 | D2454-R2456 PolarHBondContact O-N 3.34Š| ||
| 2455 | N | 32.4 | Very low | 32.1 | Very low | 165.8 Ų | 165.8 | 127.5 Ų | 127.5 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | -116.6 | 103.3 | 160.1 | -111.1 | -3.9 | 0 | 0 | 0 | 108.6 | ||||
| 2456 | R | 27.1 | Very low | 31.5 | Very low | 231.6 Ų | 231.6 | 131.9 Ų | 131.9 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -103.4 | 118.3 | 165.7 | -141.3 | 179.8 | -176.3 | -179.4 | 1.7 | 110.9 | D2454 S2458 | D2454-R2456 PolarHBondContact O-N 3.34Å; R2456-S2458 PolarHBondContact O-N 2.82Å | ||
| 2457 | P | 31.5 | Very low | 31.2 | Very low | 125.4 Ų | 125.4 | 131.8 Ų | 131.8 | 81% | 0.814 | 73% | 0.734 | S | S | * | * | trans | -76 | 140 | 170.5 | 28 | -25.9 | 0 | 0 | 0 | 110.2 | ||||
| 2458 | S | 29.7 | Very low | 30.8 | Very low | 106.8 Ų | 106.8 | 128.6 Ų | 128.6 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | trans | -88.7 | 131.6 | 176.6 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | R2456 | R2456-S2458 PolarHBondContact O-N 2.82Š| ||
| 2459 | N | 29.7 | Very low | 30.6 | Very low | 156.8 Ų | 156.8 | 134.1 Ų | 134.1 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -170.6 | 125.6 | 146.7 | -97.4 | -14.8 | 0 | 0 | 0 | 114.6 | ||||
| 2460 | V | 31 | Very low | 30.3 | Very low | 125.6 Ų | 125.6 | 140.4 Ų | 140.4 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -85.4 | 132.8 | 134.5 | -178.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2461 | S | 26.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 64.3 | 142.9 | 154.2 | 66.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2462 | W | 28.5 | Very low | 30.1 | Very low | 226.6 Ų | 226.6 | 147.4 Ų | 147.4 | 86% | 0.858 | 77% | 0.774 | S | S | * | * | 146.3 | 120.8 | 126.2 | -73.6 | 101.6 | 0 | 0 | 0 | 113.4 | |||||
| 2463 | T | 27.7 | Very low | 29.8 | Very low | 127.6 Ų | 127.6 | 153.5 Ų | 153.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 1.4 | 131.9 | 132.8 | 55.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2464 | G | 28.8 | Very low | 29.5 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 148.2 | 141.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2465 | S | 29.8 | Very low | 29.7 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 158.7 | 121.1 | 146.5 | 100.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2466 | E | 28.2 | Very low | 29.5 | Very low | 156.2 Ų | 156.2 | 143.8 Ų | 143.8 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 36.7 | 158.9 | 148 | -78.2 | -143.9 | 131 | 0 | 0 | 119.9 | S2468 S2567 T2568 S2569 | E2466-S2468 PolarHBondContact OE1-OG 3.13Å; E2466-S2567 WeakPolarHBondContact CB-OG 3.49Å; E2466-S2567 PolarHBondContact O-OG 3.42Å; E2466-T2568 VanDerWaalsContact CB-C 3.48Å; E2466-T2568 VanDerWaalsContact CD-C 3.44Å; E2466-T2568 VanDerWaalsContact OE1-C 3.27Å; E2466-T2568 WeakPolarHBondContact OE1-CA 3.47Å; E2466-T2568 WeakPolarHBondContact OE2-CA 3.22Å; E2466-T2568 PolarHBondContact OE2-N 3.03Å; E2466-S2569 VanDerWaalsContact CD-N 3.31Å; E2466-S2569 PolarHBondContact OE1-N 3.34Å | ||
| 2467 | P | 33.1 | Very low | 29.6 | Very low | 105.6 Ų | 105.6 | 139.9 Ų | 139.9 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | -136.1 | 158.4 | -172.6 | 40.1 | -24 | 0 | 0 | 0 | 117.5 | S2567 T2568 | P2467-S2567 WeakPolarHBondContact CA-OG 3.22Å; P2467-S2567 WeakPolarHBondContact CB-OG 3.34Å; P2467-T2568 CarbonylContact C-O 3.59Å; P2467-T2568 WeakPolarHBondContact CA-O 3.33Å | ||
| 2468 | S | 29.5 | Very low | 29.5 | Very low | 93.6 Ų | 93.6 | 139.8 Ų | 139.8 | 66% | 0.655 | 76% | 0.761 | S | S | * | * | trans | 115.6 | 142 | 143.5 | -77.6 | 0 | 0 | 0 | 0 | 118.2 | E2466 E2566 S2567 T2568 | E2466-S2468 PolarHBondContact OE1-OG 3.13Å; S2468-E2566 WeakPolarHBondContact CB-OE2 3.2Å; S2468-E2566 PolarHBondContact OG-OE2 3.2Å; S2468-S2567 WeakPolarHBondContact OG-CB 3.38Å; S2468-T2568 PolarHBondContact N-O 3.45Å; S2468-T2568 VanDerWaalsContact N-O 3.13Å | ||
| 2469 | R | 30.8 | Very low | 29.4 | Very low | 214.6 Ų | 214.6 | 142.5 Ų | 142.5 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | 178.3 | 135.3 | 125.7 | -89.1 | 177.7 | -179.2 | -177.2 | -0.4 | 115.2 | E2566 | R2469-E2566 VanDerWaalsContact CD-CD 3.41Å; R2469-E2566 WeakPolarHBondContact CD-OE1 3.21Å; R2469-E2566 WeakPolarHBondContact CD-OE2 3.43Å; R2469-E2566 IonicContact CZ-OE1 2.69Å; R2469-E2566 VanDerWaalsContact CZ-OE1 3.25Å; R2469-E2566 IonicContact NE-OE1 2.98Å; R2469-E2566 IonicContact NE-OE2 3.03Å; R2469-E2566 IonicContact NH1-OE1 3.67Å; R2469-E2566 PolarHBondContact NH1-OE1 3.23Å | |||
| 2470 | K | 28.7 | Very low | 29.6 | Very low | 168.2 Ų | 168.2 | 139.8 Ų | 139.8 | 73% | 0.731 | 75% | 0.752 | S | S | * | * | trans | 81.3 | 142.9 | 133 | -68.2 | -174.2 | 179.5 | -179.8 | 0 | 119 | ||||
| 2471 | F | 30 | Very low | 29.6 | Very low | 175.2 Ų | 175.2 | 144.1 Ų | 144.1 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | 130.1 | 141 | 123.3 | -95.6 | -91.4 | 0 | 0 | 0 | 115.9 | |||||
| 2472 | Q | 29.6 | Very low | 29.7 | Very low | 150.4 Ų | 150.4 | 144.9 Ų | 144.9 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | trans | 160.1 | 137.1 | 146.7 | -137.8 | 178.2 | 11.6 | 0 | 0 | 114.5 | ||||
| 2473 | R | 27.8 | Very low | 29.7 | Very low | 225.2 Ų | 225.2 | 140.2 Ų | 140.2 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | 116.1 | 121 | 139.8 | -90.1 | 177.5 | 172 | 169.7 | -3.2 | 117.4 | ||||
| 2474 | T | 27 | Very low | 29.7 | Very low | 125.2 Ų | 125.2 | 139 Ų | 139 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | trans | -116 | 159.9 | 144.1 | 41.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2475 | P | 35.1 | Very low | 29.7 | Very low | 115.8 Ų | 115.8 | 142.8 Ų | 142.8 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | -125.8 | 167.7 | 112 | 40.7 | -28.2 | 0 | 0 | 0 | 115.3 | |||||
| 2476 | S | 28.3 | Very low | 29.6 | Very low | 105.2 Ų | 105.2 | 142.1 Ų | 142.1 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 174.1 | 153.8 | 133.7 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2477 | L | 29.3 | Very low | 29.5 | Very low | 148.6 Ų | 148.6 | 139.3 Ų | 139.3 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | 113.1 | 124.6 | 150.8 | -87.1 | 131.5 | 0 | 0 | 0 | 114.5 | ||||
| 2478 | T | 29.8 | Very low | 29.5 | Very low | 124.4 Ų | 124.4 | 142.4 Ų | 142.4 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | 162.3 | 116.9 | 113.6 | -6.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2479 | E | 28.3 | Very low | 29.5 | Very low | 162.8 Ų | 162.8 | 143.9 Ų | 143.9 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | 113 | 148.2 | 98 | -96.4 | -163.7 | -168.4 | 0 | 0 | 114.5 | Y2481 | E2479-Y2481 PolarHBondContact OE2-OH 3.5Š| |||
| 2480 | P | 33.6 | Very low | 29.5 | Very low | 99.4 Ų | 99.4 | 140.2 Ų | 140.2 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | -126 | 167.9 | -152.6 | 42.2 | -28.1 | 0 | 0 | 0 | 115.9 | ||||
| 2481 | Y | 30.4 | Very low | 29.6 | Very low | 216.6 Ų | 216.6 | 140.1 Ų | 140.1 | 85% | 0.849 | 75% | 0.749 | S | S | * | * | trans | -137.2 | 129.6 | 158.5 | -78.5 | -75.6 | 0 | 0 | 0 | 114.5 | E2479 V2483 | E2479-Y2481 PolarHBondContact OE2-OH 3.5Å; Y2481-V2483 HydrophobicContact CD1-CG2 4.38Å | ||
| 2482 | S | 28.9 | Very low | 29.6 | Very low | 107.2 Ų | 107.2 | 138.3 Ų | 138.3 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | -106.9 | 140.9 | 156.1 | 54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2483 | V | 28.9 | Very low | 29.6 | Very low | 129.2 Ų | 129.2 | 135.2 Ų | 135.2 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | -161.9 | 123.3 | 139.1 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | Y2481 L2485 | Y2481-V2483 HydrophobicContact CD1-CG2 4.38Å; V2483-L2485 HydrophobicContact CG1-CD1 3.53Å | ||
| 2484 | S | 26.9 | Very low | 29.5 | Very low | 100.6 Ų | 100.6 | 129.4 Ų | 129.4 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | -137.5 | 133.9 | 153.5 | 37.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2485 | L | 29.3 | Very low | 29.7 | Very low | 160.4 Ų | 160.4 | 132.2 Ų | 132.2 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | 41.3 | 141.1 | 134.2 | -89.2 | 78.9 | 0 | 0 | 0 | 115.3 | V2483 | V2483-L2485 HydrophobicContact CG1-CD1 3.53Š| ||
| 2486 | S | 27.5 | Very low | 29.4 | Very low | 100.4 Ų | 100.4 | 134.3 Ų | 134.3 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | cis | -157.3 | 158.9 | 41.8 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2487 | S | 27.7 | Very low | 29.6 | Very low | 96.8 Ų | 96.8 | 134.5 Ų | 134.5 | 68% | 0.677 | 75% | 0.754 | S | S | * | * | 12.9 | 136.4 | 63.6 | 50 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2488 | H | 31.5 | Very low | 29.4 | Very low | 170.6 Ų | 170.6 | 135.1 Ų | 135.1 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | -171.6 | 148.2 | 117.7 | -115.4 | -74.9 | 0 | 0 | 0 | 112.9 | |||||
| 2489 | D | 29.3 | Very low | 29.2 | Very low | 125.2 Ų | 125.2 | 139.7 Ų | 139.7 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | -55.4 | 153.6 | 154.5 | -72 | -54.1 | 0 | 0 | 0 | 114.7 | K2491 | D2489-K2491 HydrophobicContact CB-CG 4.41Å; D2489-K2491 VanDerWaalsContact CG-NZ 3.26Å; D2489-K2491 WeakPolarHBondContact OD1-CE 3.35Å; D2489-K2491 IonicContact OD1-NZ 3.9Å; D2489-K2491 PolarHBondContact OD1-NZ 2.67Å; D2489-K2491 IonicContact OD2-NZ 2.77Å | ||
| 2490 | D | 32.6 | Very low | 29.1 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | 177.7 | 155.6 | 103.5 | -120.3 | -16.6 | 0 | 0 | 0 | 115.4 | |||||
| 2491 | K | 29.1 | Very low | 28.6 | Very low | 165.2 Ų | 165.2 | 145.1 Ų | 145.1 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -80.1 | 139.7 | -172.7 | -78.7 | 165.3 | -175 | 109 | 0 | 116.7 | D2489 | D2489-K2491 HydrophobicContact CB-CG 4.41Å; D2489-K2491 VanDerWaalsContact CG-NZ 3.26Å; D2489-K2491 WeakPolarHBondContact OD1-CE 3.35Å; D2489-K2491 IonicContact OD1-NZ 3.9Å; D2489-K2491 PolarHBondContact OD1-NZ 2.67Å; D2489-K2491 IonicContact OD2-NZ 2.77Å | ||
| 2492 | V | 30 | Very low | 28.4 | Very low | 137.2 Ų | 137.2 | 140.5 Ų | 140.5 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | 140.2 | 112.8 | 129.4 | 173.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 2493 | A | 29.3 | Very low | 28.2 | Very low | 85.2 Ų | 85.2 | 143.2 Ų | 143.2 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | 56.6 | 131.4 | 131.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2494 | S | 27.5 | Very low | 28.1 | Very low | 103.4 Ų | 103.4 | 142 Ų | 142 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | 154.6 | 151.4 | 66.8 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2495 | Q | 30.6 | Very low | 28.1 | Very low | 185.4 Ų | 185.4 | 143.2 Ų | 143.2 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | 85.5 | 115.1 | 159.1 | -59.5 | -174.9 | 8.9 | 0 | 0 | 120.4 | ||||
| 2496 | L | 28.6 | Very low | 28 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -71.9 | 165.8 | 159.1 | -107.7 | 84 | 0 | 0 | 0 | 112 | ||||
| 2497 | P | 32.5 | Very low | 27.9 | Very low | 109.6 Ų | 109.6 | 143.8 Ų | 143.8 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | cis | -141.8 | 174.2 | 38.8 | 35.9 | -14.1 | 0 | 0 | 0 | 117.3 | ||||
| 2498 | E | 25.7 | Very low | 27.9 | Very low | 160.6 Ų | 160.6 | 144.1 Ų | 144.1 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | 83.8 | 122.3 | 143.7 | -74.9 | -169 | 146.8 | 0 | 0 | 119.7 | H2500 | E2498-H2500 IonicContact OE1-NE2 3.27Å; E2498-H2500 IonicContact OE2-CD2 2.74Å; E2498-H2500 PolarHBondContact OE2-CD2 2.81Å; E2498-H2500 IonicContact OE2-CE1 2.73Å; E2498-H2500 IonicContact OE2-NE2 3.59Å; E2498-H2500 PolarHBondContact OE2-NE2 2.85Å | ||
| 2499 | R | 24.6 | Very low | 27.7 | Very low | 221 Ų | 221 | 143.8 Ų | 143.8 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -175.8 | 110.5 | 133.4 | -133.5 | -175.2 | 166.1 | 171.2 | 1.6 | 113.9 | R2501 | R2499-R2501 PolarHBondContact O-N 3.47Š| ||
| 2500 | H | 26 | Very low | 27.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -13.8 | 131.7 | 166 | -63 | -60.1 | 0 | 0 | 0 | 117.4 | E2498 | E2498-H2500 IonicContact OE1-NE2 3.27Å; E2498-H2500 IonicContact OE2-CD2 2.74Å; E2498-H2500 PolarHBondContact OE2-CD2 2.81Å; E2498-H2500 IonicContact OE2-CE1 2.73Å; E2498-H2500 IonicContact OE2-NE2 3.59Å; E2498-H2500 PolarHBondContact OE2-NE2 2.85Å | ||
| 2501 | R | 24.1 | Very low | 27.2 | Very low | 213 Ų | 213 | 141.9 Ų | 141.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -142.7 | 117.3 | 169 | -166.9 | -174.2 | -177.2 | 170.3 | 0.7 | 110.8 | R2499 Q2503 | R2499-R2501 PolarHBondContact O-N 3.47Å; R2501-Q2503 VanDerWaalsContact C-N 3.35Å; R2501-Q2503 HydrophobicContact CG-CB 4.44Å; R2501-Q2503 HydrophobicContact CG-CG 3.97Å; R2501-Q2503 VanDerWaalsContact NH2-NE2 3.17Å; R2501-Q2503 PolarHBondContact O-N 3.37Å | ||
| 2502 | T | 24.9 | Very low | 27 | Very low | 120.2 Ų | 120.2 | 139 Ų | 139 | 74% | 0.737 | 78% | 0.784 | S | S | * | * | trans | -56.8 | 121.7 | 161.9 | 42.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2503 | Q | 26 | Very low | 26.9 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | -117.4 | 133.1 | 128.2 | -80.3 | 172.3 | -26.4 | 0 | 0 | 113.5 | R2501 V2505 | R2501-Q2503 VanDerWaalsContact C-N 3.35Å; R2501-Q2503 HydrophobicContact CG-CB 4.44Å; R2501-Q2503 HydrophobicContact CG-CG 3.97Å; R2501-Q2503 VanDerWaalsContact NH2-NE2 3.17Å; R2501-Q2503 PolarHBondContact O-N 3.37Å; Q2503-V2505 PolarHBondContact O-N 3.1Å | |||
| 2504 | S | 25.7 | Very low | 26.8 | Very low | 103.2 Ų | 103.2 | 144.8 Ų | 144.8 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 39.5 | 109.1 | 144.7 | 169.6 | 0 | 0 | 0 | 0 | 113 | V2506 | S2504-V2506 VanDerWaalsContact C-N 3.34Š| ||
| 2505 | V | 27.5 | Very low | 26.8 | Very low | 125.8 Ų | 125.8 | 148.2 Ų | 148.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -123.5 | 79.6 | 167.1 | 170 | 0 | 0 | 0 | 0 | 108.9 | Q2503 D2507 | Q2503-V2505 PolarHBondContact O-N 3.1Å; V2505-D2507 PolarHBondContact O-N 2.72Å | ||
| 2506 | V | 27.1 | Very low | 26.8 | Very low | 126.8 Ų | 126.8 | 146.8 Ų | 146.8 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | -118.1 | 86.8 | 153.1 | -139.7 | 0 | 0 | 0 | 0 | 113.3 | S2504 | S2504-V2506 VanDerWaalsContact C-N 3.34Š| ||
| 2507 | D | 25.6 | Very low | 26.7 | Very low | 145.6 Ų | 145.6 | 143.8 Ų | 143.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 165.1 | 93 | 161.5 | -96 | -25.8 | 0 | 0 | 0 | 114.7 | V2505 | V2505-D2507 PolarHBondContact O-N 2.72Š| ||
| 2508 | S | 27.5 | Very low | 26.6 | Very low | 104.4 Ų | 104.4 | 146.4 Ų | 146.4 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -174.2 | 94.9 | 176.7 | -78.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2509 | L | 26.6 | Very low | 26.6 | Very low | 164.6 Ų | 164.6 | 147.3 Ų | 147.3 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | -170.2 | 69.6 | 129.1 | -95.3 | 141.6 | 0 | 0 | 0 | 115.5 | |||||
| 2510 | V | 25.4 | Very low | 26.8 | Very low | 148.8 Ų | 148.8 | 140.6 Ų | 140.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -126.4 | 104.9 | 163.7 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 2511 | G | 25.7 | Very low | 26.9 | Very low | 72.4 Ų | 72.4 | 137.6 Ų | 137.6 | 75% | 0.746 | 80% | 0.8 | S | S | * | * | trans | 159.1 | 98.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2512 | A | 26.9 | Very low | 27.2 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | 112.9 | 126.6 | 124.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2513 | S | 26.2 | Very low | 27.4 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -116.1 | 130 | 171.9 | -163.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 2514 | R | 28.2 | Very low | 27.5 | Very low | 231.2 Ų | 231.2 | 131.6 Ų | 131.6 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -159.9 | 134.5 | 149.1 | -114.4 | 173.5 | -176.6 | 179.6 | 0.7 | 110.8 | ||||
| 2515 | K | 28 | Very low | 27.7 | Very low | 175.6 Ų | 175.6 | 135.3 Ų | 135.3 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -18.4 | 134.4 | 146.3 | -74.5 | 176.1 | 173.6 | -164.1 | 0 | 114.1 | ||||
| 2516 | D | 29.8 | Very low | 27.6 | Very low | 156.2 Ų | 156.2 | 135.9 Ų | 135.9 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | -158.6 | 147.7 | 109.2 | -77.6 | -36.4 | 0 | 0 | 0 | 113.4 | |||||
| 2517 | A | 26.2 | Very low | 27.6 | Very low | 96.2 Ų | 96.2 | 140.3 Ų | 140.3 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -104.1 | 144.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2518 | M | 30.4 | Very low | 27.7 | Very low | 164.8 Ų | 164.8 | 140.9 Ų | 140.9 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | 176.4 | 119.8 | 132.9 | -126.8 | 161.7 | 125.7 | 0 | 0 | 111.6 | ||||
| 2519 | E | 26.5 | Very low | 27.8 | Very low | 179.4 Ų | 179.4 | 138.8 Ų | 138.8 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | 43.8 | 127.1 | 129 | -63.6 | -175.4 | 136.8 | 0 | 0 | 119.3 | |||||
| 2520 | G | 28 | Very low | 27.8 | Very low | 81.2 Ų | 81.2 | 137.9 Ų | 137.9 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | trans | 148.7 | 91.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2521 | A | 27.5 | Very low | 27.9 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 159 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2522 | P | 32.1 | Very low | 27.8 | Very low | 122.8 Ų | 122.8 | 142.6 Ų | 142.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -120.4 | 154.9 | 2.2 | 38.3 | -24.8 | 0 | 0 | 0 | 114.1 | ||||
| 2523 | S | 28.4 | Very low | 27.9 | Very low | 108.4 Ų | 108.4 | 143.3 Ų | 143.3 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | -175.1 | 133 | 154.1 | -106 | 0 | 0 | 0 | 0 | 115.8 | K2525 | S2523-K2525 PolarHBondContact O-N 3.29Š| ||
| 2524 | D | 28.1 | Very low | 27.8 | Very low | 139.2 Ų | 139.2 | 143.1 Ų | 143.1 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 162.4 | 117 | 134.5 | -91.9 | -13.6 | 0 | 0 | 0 | 115.6 | V2526 | D2524-V2526 PolarHBondContact O-N 3.15Š| ||
| 2525 | K | 28.8 | Very low | 27.7 | Very low | 182.2 Ų | 182.2 | 137.1 Ų | 137.1 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -83.1 | 114.3 | 159.1 | -66.4 | 172 | -174.5 | 150.9 | 0 | 112.6 | S2523 R2527 | S2523-K2525 PolarHBondContact O-N 3.29Å; K2525-R2527 VanDerWaalsContact C-N 3.34Å; K2525-R2527 PolarHBondContact O-N 3.11Å; K2525-R2527 VanDerWaalsContact O-N 3.13Å | ||
| 2526 | V | 26.1 | Very low | 27.7 | Very low | 137.4 Ų | 137.4 | 135.6 Ų | 135.6 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | -78 | 120.7 | 154.9 | 164.5 | 0 | 0 | 0 | 0 | 109.1 | D2524 L2528 | D2524-V2526 PolarHBondContact O-N 3.15Å; V2526-L2528 PolarHBondContact O-N 3.03Å | ||
| 2527 | R | 27.7 | Very low | 27.5 | Very low | 219.6 Ų | 219.6 | 136.5 Ų | 136.5 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -70.7 | 123.4 | 168.8 | -75.4 | 179.6 | 177.2 | 174.7 | -0.8 | 111.1 | K2525 G2529 | K2525-R2527 VanDerWaalsContact C-N 3.34Å; K2525-R2527 PolarHBondContact O-N 3.11Å; K2525-R2527 VanDerWaalsContact O-N 3.13Å; R2527-G2529 PolarHBondContact O-N 3.15Å | ||
| 2528 | L | 28.3 | Very low | 27.5 | Very low | 157.8 Ų | 157.8 | 140.6 Ų | 140.6 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 81.7 | 161.5 | -162.4 | 75.1 | 0 | 0 | 0 | 110.8 | V2526 | V2526-L2528 PolarHBondContact O-N 3.03Š|
| 2529 | G | 27.7 | Very low | 27.3 | Very low | 60.4 Ų | 60.4 | 141.3 Ų | 141.3 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 13.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R2527 L2531 | R2527-G2529 PolarHBondContact O-N 3.15Å; G2529-L2531 PolarHBondContact O-N 2.82Å |
| 2530 | D | 27.4 | Very low | 27.4 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -75.3 | 48.9 | -176.5 | -61.9 | -19.5 | 0 | 0 | 0 | 116.2 | Q2532 | D2530-Q2532 VanDerWaalsContact C-N 3.3Å; D2530-Q2532 HydrophobicContact CB-CG 4.27Å; D2530-Q2532 PolarHBondContact O-N 2.94Å; D2530-Q2532 PolarHBondContact OD2-NE2 3.44Å; D2530-Q2532 VanDerWaalsContact OD2-NE2 3.07Å | ||
| 2531 | L | 27.1 | Very low | 27.4 | Very low | 143.6 Ų | 143.6 | 144.2 Ų | 144.2 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -89.7 | 82.2 | 161.4 | -77.4 | 168.4 | 0 | 0 | 0 | 109.6 | G2529 L2533 I3076 | G2529-L2531 PolarHBondContact O-N 2.82Å; L2531-L2533 VanDerWaalsContact C-N 3.32Å; L2531-L2533 PolarHBondContact O-N 3.08Å; L2531-I3076 HydrophobicContact CD1-CD1 3.34Å; L2531-I3076 HydrophobicContact CD2-CD1 3.54Å; L2531-I3076 HydrophobicContact CG-CD1 4.07Å | ||
| 2532 | Q | 25.2 | Very low | 27.3 | Very low | 175.8 Ų | 175.8 | 148.1 Ų | 148.1 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | trans | -69.9 | 104.2 | 164.1 | -69.8 | -177 | -0.2 | 0 | 0 | 108.8 | D2530 | D2530-Q2532 VanDerWaalsContact C-N 3.3Å; D2530-Q2532 HydrophobicContact CB-CG 4.27Å; D2530-Q2532 PolarHBondContact O-N 2.94Å; D2530-Q2532 PolarHBondContact OD2-NE2 3.44Å; D2530-Q2532 VanDerWaalsContact OD2-NE2 3.07Å | ||
| 2533 | L | 27.3 | Very low | 27.2 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | trans | -64.4 | 137.9 | 163 | -81.4 | 147.3 | 0 | 0 | 0 | 108.5 | L2531 V2535 K3060 A3072 | L2531-L2533 VanDerWaalsContact C-N 3.32Å; L2531-L2533 PolarHBondContact O-N 3.08Å; L2533-V2535 PolarHBondContact O-N 3.02Å; L2533-V2535 VanDerWaalsContact O-N 3.11Å; L2533-K3060 HydrophobicContact CD1-CD 3.76Å; L2533-K3060 HydrophobicContact CD1-CG 4.38Å; L2533-K3060 VanDerWaalsContact CD1-NZ 3.27Å; L2533-A3072 HydrophobicContact CD2-CB 4.47Å | ||
| 2534 | P | 24.7 | Very low | 27.2 | Very low | 106.4 Ų | 106.4 | 148 Ų | 148 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -64.7 | 114.2 | -178.5 | 26 | -32.4 | 0 | 0 | 0 | 109.5 | I2536 | P2534-I2536 PolarHBondContact O-N 3.04Å; P2534-I2536 VanDerWaalsContact O-N 3.08Å | ||
| 2535 | V | 26.1 | Very low | 27.2 | Very low | 106.8 Ų | 106.8 | 150.5 Ų | 150.5 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | trans | -66.8 | 112.2 | 167 | 176.7 | 0 | 0 | 0 | 0 | 106.5 | L2533 F2537 | L2533-V2535 PolarHBondContact O-N 3.02Å; L2533-V2535 VanDerWaalsContact O-N 3.11Å; V2535-F2537 VanDerWaalsContact C-N 3.28Å; V2535-F2537 HydrophobicContact CB-CD2 4.16Å; V2535-F2537 HydrophobicContact CB-CE2 3.93Å; V2535-F2537 HydrophobicContact CB-CZ 4.16Å; V2535-F2537 HydrophobicContact CG1-CD1 4.19Å; V2535-F2537 HydrophobicContact CG1-CD2 4.02Å; V2535-F2537 HydrophobicContact CG1-CE1 4.01Å; V2535-F2537 HydrophobicContact CG1-CE2 3.81Å; V2535-F2537 HydrophobicContact CG1-CG 4.25Å; V2535-F2537 HydrophobicContact CG1-CZ 4.09Å; V2535-F2537 HydrophobicContact CG2-CE2 4.37Å; V2535-F2537 VanDerWaalsContact O-CD2 3.29Å; V2535-F2537 WeakPolarHBondContact O-CD2 3.31Å; V2535-F2537 PolarHBondContact O-N 3.08Å | ||
| 2536 | I | 27.6 | Very low | 27.1 | Very low | 143.6 Ų | 143.6 | 151.3 Ų | 151.3 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 102 | 170.5 | -59.8 | 171.2 | 0 | 0 | 0 | 105.9 | P2534 E2538 Q3070 | P2534-I2536 PolarHBondContact O-N 3.04Å; P2534-I2536 VanDerWaalsContact O-N 3.08Å; I2536-E2538 HydrophobicContact CG2-CG 4.33Å; I2536-E2538 PolarHBondContact O-N 3.05Å; I2536-Q3070 VanDerWaalsContact CD1-CD 3.48Å; I2536-Q3070 HydrophobicContact CD1-CG 4.5Å; I2536-Q3070 VanDerWaalsContact CG1-NE2 3.27Å | ||
| 2537 | F | 27.1 | Very low | 27.3 | Very low | 175.8 Ų | 175.8 | 150.1 Ų | 150.1 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | -70.9 | 127.9 | 171.9 | -84 | -89.9 | 0 | 0 | 0 | 109.3 | V2535 H2539 | V2535-F2537 VanDerWaalsContact C-N 3.28Å; V2535-F2537 HydrophobicContact CB-CD2 4.16Å; V2535-F2537 HydrophobicContact CB-CE2 3.93Å; V2535-F2537 HydrophobicContact CB-CZ 4.16Å; V2535-F2537 HydrophobicContact CG1-CD1 4.19Å; V2535-F2537 HydrophobicContact CG1-CD2 4.02Å; V2535-F2537 HydrophobicContact CG1-CE1 4.01Å; V2535-F2537 HydrophobicContact CG1-CE2 3.81Å; V2535-F2537 HydrophobicContact CG1-CG 4.25Å; V2535-F2537 HydrophobicContact CG1-CZ 4.09Å; V2535-F2537 HydrophobicContact CG2-CE2 4.37Å; V2535-F2537 VanDerWaalsContact O-CD2 3.29Å; V2535-F2537 WeakPolarHBondContact O-CD2 3.31Å; V2535-F2537 PolarHBondContact O-N 3.08Å; F2537-H2539 PolarHBondContact O-N 3.32Å | ||
| 2538 | E | 25 | Very low | 27.3 | Very low | 181.6 Ų | 181.6 | 147 Ų | 147 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | trans | -64.5 | 119.2 | 161.3 | -71.8 | 180 | 137 | 0 | 0 | 108.5 | I2536 H2540 | I2536-E2538 HydrophobicContact CG2-CG 4.33Å; I2536-E2538 PolarHBondContact O-N 3.05Å; E2538-H2540 PolarHBondContact O-N 3.04Å; E2538-H2540 VanDerWaalsContact O-N 3.13Å | ||
| 2539 | H | 27.3 | Very low | 27.4 | Very low | 179.2 Ų | 179.2 | 150.2 Ų | 150.2 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -78.8 | 109.9 | 167.1 | -107.8 | -73.6 | 0 | 0 | 0 | 108.9 | F2537 D2541 | F2537-H2539 PolarHBondContact O-N 3.32Å; H2539-D2541 PolarHBondContact O-N 2.9Å | ||
| 2540 | H | 28.7 | Very low | 27.4 | Very low | 179.4 Ų | 179.4 | 155.2 Ų | 155.2 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -99.8 | 118.7 | 161.9 | -131.5 | -6.6 | 0 | 0 | 0 | 109.3 | E2538 Q2542 | E2538-H2540 PolarHBondContact O-N 3.04Å; E2538-H2540 VanDerWaalsContact O-N 3.13Å; H2540-Q2542 PolarHBondContact O-N 3.11Å | ||
| 2541 | D | 26.8 | Very low | 27.4 | Very low | 142.6 Ų | 142.6 | 154.9 Ų | 154.9 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 136.3 | 173.4 | -81.7 | -43.8 | 0 | 0 | 0 | 112.2 | H2539 | H2539-D2541 PolarHBondContact O-N 2.9Š| ||
| 2542 | Q | 26.8 | Very low | 27.4 | Very low | 180.2 Ų | 180.2 | 152.2 Ų | 152.2 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -125.7 | 152.6 | 158.6 | -107.8 | -170.6 | 20.3 | 0 | 0 | 110.3 | H2540 | H2540-Q2542 PolarHBondContact O-N 3.11Š| ||
| 2543 | P | 29 | Very low | 27.5 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -112.9 | 160.5 | -154.1 | 35.2 | -28.3 | 0 | 0 | 0 | 114.1 | ||||
| 2544 | S | 27.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 120.7 | 163.3 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2545 | Q | 29 | Very low | 27.8 | Very low | 191.2 Ų | 191.2 | 152.2 Ų | 152.2 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -49.9 | 134.9 | 155 | -69 | 174.7 | -5.1 | 0 | 0 | 115.2 | ||||
| 2546 | K | 26.8 | Very low | 27.8 | Very low | 199.4 Ų | 199.4 | 155.4 Ų | 155.4 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -134.6 | 160.1 | 140.3 | -91.9 | -177.9 | 176.4 | 177.1 | 0 | 111.5 | ||||
| 2547 | P | 30.5 | Very low | 27.7 | Very low | 112 Ų | 112 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -117.4 | 167.7 | -153.5 | 32.8 | -18.6 | 0 | 0 | 0 | 113.8 | ||||
| 2548 | E | 28.2 | Very low | 27.7 | Very low | 155.8 Ų | 155.8 | 150.4 Ų | 150.4 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | 42.4 | 130.9 | 120.9 | -83.6 | -176 | 165.2 | 0 | 0 | 117.5 | |||||
| 2549 | R | 29.2 | Very low | 27.7 | Very low | 225.2 Ų | 225.2 | 147.4 Ų | 147.4 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 175.1 | 129.6 | 119.3 | -94 | 170 | -172.8 | -157.5 | -0.1 | 114.3 | |||||
| 2550 | H | 27.5 | Very low | 27.8 | Very low | 164.4 Ų | 164.4 | 146.3 Ų | 146.3 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -63.4 | 146.7 | 147 | -75.7 | -91.2 | 0 | 0 | 0 | 113.8 | ||||
| 2551 | V | 28.9 | Very low | 27.7 | Very low | 140.6 Ų | 140.6 | 142 Ų | 142 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | -176.5 | 124.3 | 129.6 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 2552 | A | 26.8 | Very low | 27.7 | Very low | 86.8 Ų | 86.8 | 142.2 Ų | 142.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | -148.8 | 144.3 | 85.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 2553 | A | 27.6 | Very low | 27.7 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 144.9 | 139.1 | 131.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2554 | Q | 28.4 | Very low | 27.6 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | 163.4 | 145.9 | 65.3 | -101.6 | -179.5 | -20.2 | 0 | 0 | 112.5 | |||||
| 2555 | V | 28.3 | Very low | 27.6 | Very low | 122.6 Ų | 122.6 | 137.6 Ų | 137.6 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -130.7 | 141.3 | 174.9 | 165.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2556 | E | 26.9 | Very low | 27.4 | Very low | 173.2 Ų | 173.2 | 136.8 Ų | 136.8 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | trans | -169.9 | 119.2 | 138.9 | -107.9 | 161 | -163 | 0 | 0 | 113 | ||||
| 2557 | S | 26.2 | Very low | 27.5 | Very low | 94.8 Ų | 94.8 | 132.2 Ų | 132.2 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | trans | 3.1 | 143.5 | 133.1 | 49.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2558 | T | 26.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | -166.8 | 129.4 | 79.3 | 1.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 2559 | T | 25.5 | Very low | 27.3 | Very low | 118.6 Ų | 118.6 | 130.6 Ų | 130.6 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | 43.9 | 141.9 | 134.9 | 58.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2560 | L | 30 | Very low | 27.2 | Very low | 156.2 Ų | 156.2 | 126.5 Ų | 126.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -179.9 | 137.4 | 102.4 | -91 | 165.2 | 0 | 0 | 0 | 110 | |||||
| 2561 | S | 26.3 | Very low | 27.3 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | 41.8 | 136.8 | 103.4 | 66.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2562 | D | 27.3 | Very low | 27.2 | Very low | 146.8 Ų | 146.8 | 120 Ų | 120 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | 174.3 | 149.2 | 103.4 | -99.9 | -32 | 0 | 0 | 0 | 113.8 | |||||
| 2563 | S | 26.7 | Very low | 27.2 | Very low | 97.2 Ų | 97.2 | 124 Ų | 124 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | 42.4 | 145.8 | 166.6 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2564 | S | 26.6 | Very low | 27.2 | Very low | 112.4 Ų | 112.4 | 122.7 Ų | 122.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 140.2 | 146.4 | 154.4 | 60 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2565 | S | 27.7 | Very low | 27.3 | Very low | 101.6 Ų | 101.6 | 118.7 Ų | 118.7 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | 171.3 | 127.7 | 145.3 | 48 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2566 | E | 24.6 | Very low | 27.2 | Very low | 174.8 Ų | 174.8 | 123.3 Ų | 123.3 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | 5.9 | 135 | 148.7 | -61.8 | 178.8 | 155.2 | 0 | 0 | 114.8 | S2468 R2469 | S2468-E2566 WeakPolarHBondContact CB-OE2 3.2Å; S2468-E2566 PolarHBondContact OG-OE2 3.2Å; R2469-E2566 VanDerWaalsContact CD-CD 3.41Å; R2469-E2566 WeakPolarHBondContact CD-OE1 3.21Å; R2469-E2566 WeakPolarHBondContact CD-OE2 3.43Å; R2469-E2566 IonicContact CZ-OE1 2.69Å; R2469-E2566 VanDerWaalsContact CZ-OE1 3.25Å; R2469-E2566 IonicContact NE-OE1 2.98Å; R2469-E2566 IonicContact NE-OE2 3.03Å; R2469-E2566 IonicContact NH1-OE1 3.67Å; R2469-E2566 PolarHBondContact NH1-OE1 3.23Å | ||
| 2567 | S | 28.2 | Very low | 27.6 | Very low | 103.4 Ų | 103.4 | 123.9 Ų | 123.9 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | -153.4 | 138 | 123.8 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | E2466 P2467 S2468 | E2466-S2567 WeakPolarHBondContact CB-OG 3.49Å; E2466-S2567 PolarHBondContact O-OG 3.42Å; P2467-S2567 WeakPolarHBondContact CA-OG 3.22Å; P2467-S2567 WeakPolarHBondContact CB-OG 3.34Å; S2468-S2567 WeakPolarHBondContact OG-CB 3.38Å | |||
| 2568 | T | 25.5 | Very low | 28 | Very low | 122.4 Ų | 122.4 | 124.3 Ų | 124.3 | 75% | 0.751 | 77% | 0.768 | S | S | * | * | trans | -88.2 | 135.7 | 177.3 | -35.9 | 0 | 0 | 0 | 0 | 110.4 | E2466 P2467 S2468 | E2466-T2568 VanDerWaalsContact CB-C 3.48Å; E2466-T2568 VanDerWaalsContact CD-C 3.44Å; E2466-T2568 VanDerWaalsContact OE1-C 3.27Å; E2466-T2568 WeakPolarHBondContact OE1-CA 3.47Å; E2466-T2568 WeakPolarHBondContact OE2-CA 3.22Å; E2466-T2568 PolarHBondContact OE2-N 3.03Å; P2467-T2568 CarbonylContact C-O 3.59Å; P2467-T2568 WeakPolarHBondContact CA-O 3.33Å; S2468-T2568 PolarHBondContact N-O 3.45Å; S2468-T2568 VanDerWaalsContact N-O 3.13Å | ||
| 2569 | S | 30 | Very low | 28.9 | Very low | 110.8 Ų | 110.8 | 123.8 Ų | 123.8 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -138.6 | 128.4 | 154.5 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | E2466 | E2466-S2569 VanDerWaalsContact CD-N 3.31Å; E2466-S2569 PolarHBondContact OE1-N 3.34Å | ||
| 2570 | V | 27.2 | Very low | 30.5 | Very low | 140.6 Ų | 140.6 | 120.5 Ų | 120.5 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -91.6 | 124.8 | -178.9 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2571 | G | 29.3 | Very low | 32.4 | Very low | 75.2 Ų | 75.2 | 115.5 Ų | 115.5 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | -135.4 | 111.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | D2573 | G2571-D2573 PolarHBondContact O-N 2.98Š| ||
| 2572 | A | 26.3 | Very low | 34.9 | Very low | 92.8 Ų | 92.8 | 112.4 Ų | 112.4 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | trans | -84.6 | 132.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2573 | D | 26.9 | Very low | 37.6 | Very low | 169.6 Ų | 169.6 | 107.5 Ų | 107.5 | 91% | 0.907 | 68% | 0.676 | S | S | * | * | trans | 163.4 | 80.8 | 161.6 | -88.6 | -25.2 | 0 | 0 | 0 | 112.9 | G2571 S2575 | G2571-D2573 PolarHBondContact O-N 2.98Å; D2573-S2575 PolarHBondContact O-N 3.37Å | ||
| 2574 | G | 28.3 | Very low | 40.6 | Very low | 67.8 Ų | 67.8 | 104.3 Ų | 104.3 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | -126.2 | 94.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F2576 | G2574-F2576 PolarHBondContact O-N 3.25Š| ||
| 2575 | S | 28.9 | Very low | 43.6 | Very low | 101.8 Ų | 101.8 | 101.1 Ų | 101.1 | 71% | 0.712 | 63% | 0.625 | S | S | * | * | trans | -40.8 | 120.5 | 172.4 | 80.9 | 0 | 0 | 0 | 0 | 113 | D2573 K2577 | D2573-S2575 PolarHBondContact O-N 3.37Å; S2575-K2577 VanDerWaalsContact C-N 3.3Å; S2575-K2577 PolarHBondContact O-N 2.92Å; S2575-K2577 VanDerWaalsContact O-N 3.17Å | ||
| 2576 | F | 27.8 | Very low | 46.7 | Very low | 220 Ų | 220 | 98 Ų | 98 | 97% | 0.965 | 60% | 0.601 | S | S | * | * | trans | -59.4 | 94.7 | 171.4 | -83.7 | -93.6 | 0 | 0 | 0 | 111.5 | G2574 S2578 | G2574-F2576 PolarHBondContact O-N 3.25Å; F2576-S2578 PolarHBondContact O-N 2.91Å; F2576-S2578 VanDerWaalsContact O-N 3.12Å | ||
| 2577 | K | 33.6 | Very low | 50 | Low | 185 Ų | 185 | 93 Ų | 93 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 117.6 | 159.5 | -74.3 | -177.7 | 177.8 | 177.2 | 0 | 107.5 | S2575 | S2575-K2577 VanDerWaalsContact C-N 3.3Å; S2575-K2577 PolarHBondContact O-N 2.92Å; S2575-K2577 VanDerWaalsContact O-N 3.17Å |
| 2578 | S | 36.2 | Very low | 53.2 | Low | 102.8 Ų | 102.8 | 93.1 Ų | 93.1 | 72% | 0.719 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | F2576 A2580 | F2576-S2578 PolarHBondContact O-N 2.91Å; F2576-S2578 VanDerWaalsContact O-N 3.12Å; S2578-A2580 PolarHBondContact O-N 2.98Å |
| 2579 | P | 45 | Very low | 56.4 | Low | 111.6 Ų | 111.6 | 88 Ų | 88 | 73% | 0.725 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 131.1 | 176.8 | 24.8 | -32.9 | 0 | 0 | 0 | 109.5 | V2581 | P2579-V2581 VanDerWaalsContact C-N 3.26Å; P2579-V2581 PolarHBondContact O-N 3Å; P2579-V2581 VanDerWaalsContact O-N 3.09Å |
| 2580 | A | 58.1 | Low | 59.4 | Low | 48 Ų | 48 | 85.7 Ų | 85.7 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | trans | -75.1 | 92.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G2307 S2578 D2582 S2663 | G2307-A2580 WeakPolarHBondContact CA-O 3.33Å; S2578-A2580 PolarHBondContact O-N 2.98Å; A2580-D2582 PolarHBondContact O-N 2.9Å; A2580-S2663 VanDerWaalsContact CB-OG 3.26Å; A2580-S2663 WeakPolarHBondContact CB-OG 3.25Å | ||
| 2581 | V | 69.3 | Low | 62.4 | Low | 52.6 Ų | 52.6 | 79.6 Ų | 79.6 | 32% | 0.319 | 47% | 0.469 | S | S | . | . | trans | -75 | 123.4 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | A2308 W2310 P2579 K2684 | A2308-V2581 CarbonylContact O-C 3.53Å; A2308-V2581 WeakPolarHBondContact O-CA 3.29Å; A2308-V2581 WeakPolarHBondContact O-CG1 3.21Å; W2310-V2581 HydrophobicContact CB-CG1 3.93Å; P2579-V2581 VanDerWaalsContact C-N 3.26Å; P2579-V2581 PolarHBondContact O-N 3Å; P2579-V2581 VanDerWaalsContact O-N 3.09Å; V2581-K2684 PolarHBondContact O-NZ 2.86Å | ||
| 2582 | D | 78.9 | Confident | 65.2 | Low | 23.4 Ų | 23.4 | 80.8 Ų | 80.8 | 13% | 0.125 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 142.4 | 169.1 | -80.8 | -13.5 | 0 | 0 | 0 | 109 | A2308 L2309 W2310 A2580 S2661 K2662 S2663 K2684 | A2308-D2582 PolarHBondContact O-N 3.17Å; L2309-D2582 CarbonylContact C-O 3.55Å; L2309-D2582 WeakPolarHBondContact CA-O 3.37Å; L2309-D2582 HydrophobicContact CD1-CB 4.12Å; W2310-D2582 PolarHBondContact N-O 2.96Å; A2580-D2582 PolarHBondContact O-N 2.9Å; D2582-S2661 VanDerWaalsContact CB-O 3.29Å; D2582-S2661 WeakPolarHBondContact CB-O 3.44Å; D2582-S2661 VanDerWaalsContact CG-O 3.25Å; D2582-S2661 VanDerWaalsContact OD1-C 3.32Å; D2582-S2661 PolarHBondContact OD1-OG 2.96Å; D2582-K2662 WeakPolarHBondContact OD1-CA 3.32Å; D2582-K2662 PolarHBondContact OD1-N 2.95Å; D2582-K2662 WeakPolarHBondContact OD2-CA 3.16Å; D2582-S2663 WeakPolarHBondContact OD1-CB 3.31Å; D2582-S2663 PolarHBondContact OD1-N 3.13Å; D2582-S2663 VanDerWaalsContact OD1-N 3.07Å; D2582-S2663 PolarHBondContact OD1-OG 2.87Å; D2582-S2663 PolarHBondContact OD2-N 2.97Å; D2582-S2663 VanDerWaalsContact OD2-N 3.1Å; D2582-K2684 WeakPolarHBondContact OD1-CE 3.39Å; D2582-K2684 IonicContact OD1-NZ 3.18Å |
| 2583 | F | 84.9 | Confident | 67.9 | Low | 43 Ų | 43 | 79.1 Ų | 79.1 | 19% | 0.189 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.3 | -170.8 | -177.7 | -126.3 | 0 | 0 | 0 | 110.3 | W2310 L2312 L2585 Y2659 R2660 S2661 | W2310-F2583 HydrophobicContact CB-CD2 4.19Å; W2310-F2583 AromaticContact CD2-CD2 3.77Å; W2310-F2583 HydrophobicContact CD2-CD2 3.77Å; W2310-F2583 AromaticContact CD2-CE2 3.68Å; W2310-F2583 HydrophobicContact CD2-CE2 3.68Å; W2310-F2583 AromaticContact CE3-CD2 3.37Å; W2310-F2583 HydrophobicContact CE3-CD2 3.37Å; W2310-F2583 VanDerWaalsContact CE3-CD2 3.45Å; W2310-F2583 AromaticContact CE3-CE2 3.37Å; W2310-F2583 HydrophobicContact CE3-CE2 3.37Å; W2310-F2583 VanDerWaalsContact CE3-CE2 3.42Å; W2310-F2583 HydrophobicContact CE3-CG 4.38Å; W2310-F2583 HydrophobicContact CE3-CZ 4.36Å; W2310-F2583 HydrophobicContact CG-CD2 4.14Å; W2310-F2583 HydrophobicContact CG-CE2 4.34Å; W2310-F2583 HydrophobicContact CH2-CE2 4.11Å; W2310-F2583 HydrophobicContact CH2-CZ 4.46Å; W2310-F2583 HydrophobicContact CZ2-CE2 4.33Å; W2310-F2583 AromaticContact CZ3-CD2 3.95Å; W2310-F2583 HydrophobicContact CZ3-CD2 4Å; W2310-F2583 AromaticContact CZ3-CE2 3.6Å; W2310-F2583 HydrophobicContact CZ3-CE2 3.6Å; W2310-F2583 HydrophobicContact CZ3-CZ 4.2Å; W2310-F2583 WeakPolarHBondContact O-CA 3.39Å; W2310-F2583 WeakPolarHBondContact O-CD2 3.24Å; L2312-F2583 HydrophobicContact CB-CE2 4.01Å; L2312-F2583 HydrophobicContact CB-CZ 4.33Å; L2312-F2583 HydrophobicContact CD2-CE2 4.44Å; L2312-F2583 HydrophobicContact CD2-CZ 4.26Å; F2583-L2585 HydrophobicContact CD1-CB 4.44Å; F2583-L2585 HydrophobicContact CE1-CB 3.73Å; F2583-L2585 HydrophobicContact CE1-CD2 4.34Å; F2583-L2585 HydrophobicContact CE1-CG 4.47Å; F2583-L2585 HydrophobicContact CZ-CB 3.75Å; F2583-L2585 HydrophobicContact CZ-CD1 4.47Å; F2583-L2585 HydrophobicContact CZ-CD2 4.44Å; F2583-L2585 HydrophobicContact CZ-CG 4.44Å; F2583-Y2659 HydrophobicContact CB-CE1 4.42Å; F2583-Y2659 AromaticContact CD1-CD1 3.65Å; F2583-Y2659 HydrophobicContact CD1-CD1 3.65Å; F2583-Y2659 AromaticContact CD1-CE1 3.75Å; F2583-Y2659 HydrophobicContact CD1-CE1 3.75Å; F2583-Y2659 HydrophobicContact CE1-CD1 4.15Å; F2583-Y2659 HydrophobicContact CE1-CE1 4.41Å; F2583-R2660 CarbonylContact O-C 3.55Å; F2583-R2660 WeakPolarHBondContact O-CA 3.01Å; F2583-S2661 PolarHBondContact N-O 3.19Å; F2583-S2661 PolarHBondContact N-OG 2.85Å; F2583-S2661 PolarHBondContact O-N 3.3Å |
| 2584 | L | 88.8 | Confident | 70.7 | Confident | 31.2 Ų | 31.2 | 71.4 Ų | 71.4 | 16% | 0.163 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 117.3 | 174 | -154.9 | 164.4 | 0 | 0 | 0 | 108.3 | L2309 W2310 V2311 L2312 Y2659 R2660 | L2309-L2584 HydrophobicContact CD1-CB 4.29Å; W2310-L2584 PolarHBondContact O-N 2.97Å; V2311-L2584 CarbonylContact C-O 3.53Å; V2311-L2584 WeakPolarHBondContact CA-O 3.37Å; V2311-L2584 HydrophobicContact CG1-CD2 4.32Å; V2311-L2584 HydrophobicContact CG2-CB 4.42Å; L2312-L2584 PolarHBondContact N-O 3.12Å; L2584-Y2659 CarbonylContact C-O 3.55Å; L2584-Y2659 VanDerWaalsContact CA-O 3.29Å; L2584-Y2659 WeakPolarHBondContact CA-O 3.32Å; L2584-R2660 HydrophobicContact CD2-CB 3.72Å; L2584-R2660 HydrophobicContact CD2-CG 3.58Å |
| 2585 | L | 91 | Very high | 73.5 | Confident | 44.8 Ų | 44.8 | 72.3 Ų | 72.3 | 24% | 0.235 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.1 | 175.5 | 166.7 | 67.3 | 0 | 0 | 0 | 109.5 | L2312 I2314 F2583 F2587 H2658 Y2659 | L2312-L2585 HydrophobicContact CB-CD1 4.22Å; L2312-L2585 HydrophobicContact CD2-CD1 4.02Å; L2312-L2585 HydrophobicContact CG-CD1 3.94Å; L2312-L2585 CarbonylContact O-C 3.5Å; L2312-L2585 VanDerWaalsContact O-CA 3.27Å; L2312-L2585 WeakPolarHBondContact O-CA 3.37Å; I2314-L2585 HydrophobicContact CD1-CD1 4.22Å; I2314-L2585 HydrophobicContact CG1-CD1 4.41Å; F2583-L2585 HydrophobicContact CD1-CB 4.44Å; F2583-L2585 HydrophobicContact CE1-CB 3.73Å; F2583-L2585 HydrophobicContact CE1-CD2 4.34Å; F2583-L2585 HydrophobicContact CE1-CG 4.47Å; F2583-L2585 HydrophobicContact CZ-CB 3.75Å; F2583-L2585 HydrophobicContact CZ-CD1 4.47Å; F2583-L2585 HydrophobicContact CZ-CD2 4.44Å; F2583-L2585 HydrophobicContact CZ-CG 4.44Å; L2585-F2587 HydrophobicContact CD1-CB 4.45Å; L2585-H2658 CarbonylContact O-C 3.45Å; L2585-H2658 VanDerWaalsContact O-CA 3.27Å; L2585-H2658 WeakPolarHBondContact O-CA 3.22Å; L2585-Y2659 PolarHBondContact N-O 2.87Å; L2585-Y2659 PolarHBondContact O-N 2.9Å |
| 2586 | D | 92.3 | Very high | 76.2 | Confident | 37.2 Ų | 37.2 | 68 Ų | 68 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.2 | 164.3 | -87.1 | -32.7 | 0 | 0 | 0 | 109 | L2312 N2313 I2314 R2588 A2657 H2658 | L2312-D2586 PolarHBondContact O-N 3.04Å; N2313-D2586 CarbonylContact C-O 3.51Å; N2313-D2586 VanDerWaalsContact CA-O 3.28Å; N2313-D2586 WeakPolarHBondContact CA-O 3.37Å; N2313-D2586 HydrophobicContact CB-CB 4.21Å; I2314-D2586 PolarHBondContact N-O 2.98Å; D2586-R2588 IonicContact OD2-CZ 3.57Å; D2586-R2588 IonicContact OD2-NE 3.94Å; D2586-R2588 IonicContact OD2-NH2 3.76Å; D2586-R2588 PolarHBondContact OD2-NH2 3.37Å; D2586-A2657 CarbonylContact C-O 3.52Å; D2586-H2658 IonicContact OD1-CE1 3.66Å; D2586-H2658 IonicContact OD1-CG 3.77Å; D2586-H2658 IonicContact OD1-ND1 3.08Å; D2586-H2658 PolarHBondContact OD1-ND1 3.01Å; D2586-H2658 IonicContact OD2-ND1 2.62Å |
| 2587 | F | 93.7 | Very high | 79.1 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.5 | 177.4 | 178.3 | -101.7 | 0 | 0 | 0 | 109.4 | I2314 L2585 V2589 K2656 A2657 | I2314-F2587 HydrophobicContact CB-CD2 3.93Å; I2314-F2587 HydrophobicContact CB-CE2 4.46Å; I2314-F2587 HydrophobicContact CD1-CD2 4.44Å; I2314-F2587 HydrophobicContact CG2-CD2 3.81Å; I2314-F2587 HydrophobicContact CG2-CE2 4.01Å; I2314-F2587 CarbonylContact O-C 3.49Å; I2314-F2587 VanDerWaalsContact O-CA 3.31Å; I2314-F2587 WeakPolarHBondContact O-CA 3.36Å; L2585-F2587 HydrophobicContact CD1-CB 4.45Å; F2587-V2589 HydrophobicContact CD1-CG2 4.24Å; F2587-V2589 HydrophobicContact CE1-CG2 3.36Å; F2587-V2589 VanDerWaalsContact CE1-CG2 3.46Å; F2587-V2589 HydrophobicContact CE2-CG2 4.17Å; F2587-V2589 HydrophobicContact CZ-CG2 3.31Å; F2587-K2656 CarbonylContact O-C 3.47Å; F2587-K2656 VanDerWaalsContact O-CA 3.3Å; F2587-K2656 WeakPolarHBondContact O-CA 3.34Å; F2587-A2657 HydrophobicContact CB-CB 4.33Å; F2587-A2657 HydrophobicContact CD1-CB 4.4Å; F2587-A2657 PolarHBondContact N-O 3.16Å; F2587-A2657 PolarHBondContact O-N 2.91Å |
| 2588 | R | 94.2 | Very high | 81.5 | Confident | 107 Ų | 107 | 51.2 Ų | 51.2 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.6 | -177.8 | -57.5 | -176.8 | -174.8 | 178.6 | 2.8 | 109.8 | I2314 M2315 W2316 D2586 I2655 K2656 | I2314-R2588 PolarHBondContact O-N 3.04Å; M2315-R2588 CarbonylContact C-O 3.54Å; M2315-R2588 VanDerWaalsContact CA-O 3.29Å; M2315-R2588 WeakPolarHBondContact CA-O 3.33Å; M2315-R2588 HydrophobicContact CB-CB 4.47Å; M2315-R2588 HydrophobicContact CG-CB 4.23Å; M2315-R2588 HydrophobicContact CG-CG 4.41Å; W2316-R2588 PolarHBondContact N-O 3.06Å; D2586-R2588 IonicContact OD2-CZ 3.57Å; D2586-R2588 IonicContact OD2-NE 3.94Å; D2586-R2588 IonicContact OD2-NH2 3.76Å; D2586-R2588 PolarHBondContact OD2-NH2 3.37Å; R2588-I2655 CarbonylContact C-O 3.49Å; R2588-I2655 VanDerWaalsContact CA-O 3.27Å; R2588-I2655 WeakPolarHBondContact CA-O 3.29Å; R2588-K2656 HydrophobicContact CG-CB 4.46Å; R2588-K2656 HydrophobicContact CG-CG 4.24Å |
| 2589 | V | 93 | Very high | 83.6 | Confident | 15.4 Ų | 15.4 | 48.1 Ų | 48.1 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.9 | 172.1 | -176 | 0 | 0 | 0 | 0 | 108.5 | W2316 I2318 F2587 V2591 S2654 I2655 | W2316-V2589 HydrophobicContact CB-CG2 4.36Å; W2316-V2589 HydrophobicContact CE3-CG2 4.45Å; W2316-V2589 CarbonylContact O-C 3.53Å; W2316-V2589 VanDerWaalsContact O-CA 3.29Å; W2316-V2589 WeakPolarHBondContact O-CA 3.26Å; I2318-V2589 HydrophobicContact CD1-CG1 4.42Å; F2587-V2589 HydrophobicContact CD1-CG2 4.24Å; F2587-V2589 HydrophobicContact CE1-CG2 3.36Å; F2587-V2589 VanDerWaalsContact CE1-CG2 3.46Å; F2587-V2589 HydrophobicContact CE2-CG2 4.17Å; F2587-V2589 HydrophobicContact CZ-CG2 3.31Å; V2589-V2591 HydrophobicContact CG1-CG2 4.38Å; V2589-S2654 CarbonylContact O-C 3.54Å; V2589-S2654 WeakPolarHBondContact O-CA 3.38Å; V2589-I2655 HydrophobicContact CB-CB 4.24Å; V2589-I2655 PolarHBondContact N-O 3.18Å; V2589-I2655 PolarHBondContact O-N 2.82Å |
| 2590 | H | 93 | Very high | 85.1 | Confident | 62.8 Ų | 62.8 | 43.8 Ų | 43.8 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.1 | 170.5 | -174.8 | 49.3 | 0 | 0 | 0 | 109.1 | W2316 N2317 I2318 L2653 E2695 | W2316-H2590 PolarHBondContact O-N 2.81Å; N2317-H2590 CarbonylContact C-O 3.55Å; N2317-H2590 WeakPolarHBondContact CA-O 3.31Å; N2317-H2590 PolarHBondContact OD1-CD2 2.92Å; N2317-H2590 PolarHBondContact OD1-O 3.36Å; I2318-H2590 PolarHBondContact N-O 3.11Å; H2590-L2653 CarbonylContact C-O 3.52Å; H2590-L2653 VanDerWaalsContact CA-O 3.29Å; H2590-L2653 WeakPolarHBondContact CA-O 3.42Å; H2590-L2653 PolarHBondContact ND1-O 2.83Å; H2590-E2695 IonicContact CE1-OE1 2.77Å |
| 2591 | V | 91.3 | Very high | 85.4 | Confident | 11.2 Ų | 11.2 | 44.5 Ų | 44.5 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.1 | 171.4 | -172.8 | 0 | 0 | 0 | 0 | 106.3 | I2318 L2321 V2589 G2652 L2653 | I2318-V2591 HydrophobicContact CB-CB 4.49Å; I2318-V2591 HydrophobicContact CB-CG1 4.41Å; I2318-V2591 HydrophobicContact CB-CG2 4.26Å; I2318-V2591 HydrophobicContact CD1-CG2 4.29Å; I2318-V2591 HydrophobicContact CG2-CG1 4.09Å; I2318-V2591 HydrophobicContact CG2-CG2 4.46Å; I2318-V2591 WeakPolarHBondContact O-CA 3.28Å; L2321-V2591 HydrophobicContact CB-CG1 4.21Å; L2321-V2591 HydrophobicContact CD2-CG1 4.2Å; V2589-V2591 HydrophobicContact CG1-CG2 4.38Å; V2591-G2652 CarbonylContact O-C 3.51Å; V2591-G2652 VanDerWaalsContact O-CA 3.27Å; V2591-G2652 WeakPolarHBondContact O-CA 3.42Å; V2591-L2653 HydrophobicContact CB-CB 4.13Å; V2591-L2653 HydrophobicContact CG2-CB 4.32Å; V2591-L2653 HydrophobicContact CG2-CD2 4.4Å; V2591-L2653 PolarHBondContact N-O 2.81Å; V2591-L2653 PolarHBondContact O-N 2.96Å |
| 2592 | E | 87.8 | Confident | 84.7 | Confident | 101.2 Ų | 101.2 | 45.1 Ų | 45.1 | 47% | 0.473 | 22% | 0.224 | S | C | . | . | trans | -77.9 | -38.1 | -175.8 | -173.5 | 173.8 | 165.7 | 0 | 0 | 111.9 | I2318 K2319 | I2318-E2592 PolarHBondContact O-N 2.79Å; K2319-E2592 WeakPolarHBondContact CD-OE2 3.26Å; K2319-E2592 VanDerWaalsContact CE-OE2 3.32Å; K2319-E2592 WeakPolarHBondContact CE-OE2 3.38Å; K2319-E2592 WeakPolarHBondContact CG-OE2 3.36Å; K2319-E2592 IonicContact NZ-OE1 3.07Å; K2319-E2592 PolarHBondContact NZ-OE1 3.42Å; K2319-E2592 IonicContact NZ-OE2 3.17Å; K2319-E2592 PolarHBondContact NZ-OE2 2.93Å | ||
| 2593 | S | 83.8 | Confident | 83.2 | Confident | 56.4 Ų | 56.4 | 53.3 Ų | 53.3 | 39% | 0.394 | 26% | 0.262 | S | S | . | . | trans | -162.8 | 159.9 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | G2320 L2321 | G2320-S2593 CarbonylContact C-O 3.48Å; G2320-S2593 VanDerWaalsContact CA-O 3.31Å; G2320-S2593 WeakPolarHBondContact CA-O 3.37Å; G2320-S2593 PolarHBondContact N-O 3.27Å; L2321-S2593 WeakPolarHBondContact CB-O 3.41Å; L2321-S2593 PolarHBondContact N-O 3.06Å; L2321-S2593 VanDerWaalsContact N-O 3.08Å | ||
| 2594 | G | 84 | Confident | 81 | Confident | 8.8 Ų | 8.8 | 57.9 Ų | 57.9 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | L2321 L2650 | L2321-G2594 CarbonylContact O-C 3.55Å; L2321-G2594 VanDerWaalsContact O-C 3.32Å; L2321-G2594 WeakPolarHBondContact O-CA 3.38Å; G2594-L2650 PolarHBondContact N-O 3.35Å; G2594-L2650 PolarHBondContact O-N 2.91Å |
| 2595 | R | 87.3 | Confident | 78.5 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 33% | 0.328 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 136.4 | 175.2 | 77 | -175.5 | 159.3 | 151.4 | 3.4 | 110.7 | L2321 D2322 M2323 I2647 I2648 Y2649 | L2321-R2595 PolarHBondContact O-N 2.99Å; D2322-R2595 CarbonylContact C-O 3.52Å; D2322-R2595 WeakPolarHBondContact CA-O 3.27Å; D2322-R2595 HydrophobicContact CB-CG 4.22Å; D2322-R2595 WeakPolarHBondContact OD1-CD 3.39Å; D2322-R2595 WeakPolarHBondContact OD1-CG 3.28Å; D2322-R2595 IonicContact OD1-CZ 3.08Å; D2322-R2595 IonicContact OD1-NE 2.97Å; D2322-R2595 PolarHBondContact OD1-NE 3.07Å; D2322-R2595 IonicContact OD1-NH2 3.5Å; D2322-R2595 PolarHBondContact OD1-NH2 2.86Å; D2322-R2595 IonicContact OD2-CZ 3.92Å; D2322-R2595 IonicContact OD2-NE 2.94Å; D2322-R2595 PolarHBondContact OD2-NE 3.34Å; D2322-R2595 IonicContact OD2-NH2 3.5Å; D2322-R2595 PolarHBondContact OD2-NH2 2.85Å; M2323-R2595 PolarHBondContact N-O 3.38Å; R2595-I2647 HydrophobicContact CB-CG2 4.17Å; R2595-I2648 CarbonylContact C-O 3.5Å; R2595-I2648 WeakPolarHBondContact CA-O 3.34Å; R2595-Y2649 HydrophobicContact CB-CD1 4.24Å; R2595-Y2649 HydrophobicContact CB-CE1 4.43Å |
| 2596 | C | 87.1 | Confident | 76 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.4 | 170.7 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | M2323 F2325 F2598 I2647 I2648 L2650 | M2323-C2596 HydrophobicContact CB-CB 4.43Å; M2323-C2596 CarbonylContact O-C 3.5Å; M2323-C2596 WeakPolarHBondContact O-CA 3.3Å; M2323-C2596 VanDerWaalsContact SD-SG 3.65Å; F2325-C2596 HydrophobicContact CE2-CB 4.36Å; C2596-F2598 HydrophobicContact CB-CD2 4.41Å; C2596-F2598 HydrophobicContact CB-CE2 3.66Å; C2596-F2598 HydrophobicContact CB-CZ 4.02Å; C2596-I2647 CarbonylContact O-C 3.56Å; C2596-I2647 WeakPolarHBondContact O-CA 3.4Å; C2596-I2648 HydrophobicContact CB-CB 4.43Å; C2596-I2648 PolarHBondContact N-O 3.17Å; C2596-I2648 PolarHBondContact O-N 3.07Å; C2596-L2650 VanDerWaalsContact SG-CD1 3.59Å; C2596-L2650 WeakPolarHBondContact SG-CD1 3.34Å |
| 2597 | T | 86.8 | Confident | 73.3 | Confident | 15.4 Ų | 15.4 | 75.6 Ų | 75.6 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.5 | 173.8 | -12.6 | 0 | 0 | 0 | 0 | 109.2 | M2323 H2324 F2325 M2646 I2647 | M2323-T2597 PolarHBondContact O-N 3.07Å; M2323-T2597 PolarHBondContact O-OG1 3.46Å; H2324-T2597 WeakPolarHBondContact CA-O 3.45Å; H2324-T2597 WeakPolarHBondContact CA-OG1 3.14Å; H2324-T2597 PolarHBondContact CE1-OG1 2.74Å; H2324-T2597 PolarHBondContact ND1-OG1 2.79Å; F2325-T2597 PolarHBondContact N-O 2.85Å; T2597-M2646 CarbonylContact C-O 3.55Å; T2597-M2646 VanDerWaalsContact CA-O 3.28Å; T2597-M2646 WeakPolarHBondContact CA-O 3.37Å; T2597-I2647 HydrophobicContact CG2-CG1 4.17Å; T2597-I2647 HydrophobicContact CG2-CG2 4.33Å |
| 2598 | F | 85.2 | Confident | 70.4 | Confident | 37.4 Ų | 37.4 | 81.3 Ų | 81.3 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.1 | 176.8 | -59.7 | -90 | 0 | 0 | 0 | 108.8 | F2325 C2596 S2645 M2646 I2648 I2707 F2710 | F2325-F2598 HydrophobicContact CB-CD1 3.96Å; F2325-F2598 HydrophobicContact CB-CE1 4.28Å; F2325-F2598 AromaticContact CD2-CD1 3.98Å; F2325-F2598 HydrophobicContact CD2-CD1 4.02Å; F2325-F2598 AromaticContact CD2-CE1 3.57Å; F2325-F2598 HydrophobicContact CD2-CE1 3.57Å; F2325-F2598 AromaticContact CD2-CZ 3.92Å; F2325-F2598 HydrophobicContact CD2-CZ 3.98Å; F2325-F2598 HydrophobicContact CE2-CE1 4.26Å; F2325-F2598 HydrophobicContact CE2-CZ 4.35Å; F2325-F2598 HydrophobicContact CG-CD1 4.4Å; F2325-F2598 HydrophobicContact CG-CE1 4.24Å; F2325-F2598 CarbonylContact O-C 3.54Å; F2325-F2598 WeakPolarHBondContact O-CA 3.38Å; C2596-F2598 HydrophobicContact CB-CD2 4.41Å; C2596-F2598 HydrophobicContact CB-CE2 3.66Å; C2596-F2598 HydrophobicContact CB-CZ 4.02Å; F2598-S2645 CarbonylContact O-C 3.56Å; F2598-S2645 VanDerWaalsContact O-CA 3.29Å; F2598-S2645 WeakPolarHBondContact O-CA 3.37Å; F2598-M2646 HydrophobicContact CB-CB 4.46Å; F2598-M2646 PolarHBondContact N-O 3.08Å; F2598-M2646 PolarHBondContact O-N 3.15Å; F2598-I2648 HydrophobicContact CD2-CD1 4.28Å; F2598-I2648 HydrophobicContact CD2-CG1 4.38Å; F2598-I2648 HydrophobicContact CE2-CB 4.42Å; F2598-I2648 HydrophobicContact CE2-CD1 3.69Å; F2598-I2648 HydrophobicContact CE2-CG1 4.05Å; F2598-I2648 HydrophobicContact CZ-CD1 4.45Å; F2598-I2707 HydrophobicContact CB-CD1 4.34Å; F2598-I2707 HydrophobicContact CD1-CD1 4.08Å; F2598-I2707 HydrophobicContact CD2-CD1 4.05Å; F2598-I2707 HydrophobicContact CE1-CD1 4.43Å; F2598-I2707 HydrophobicContact CE2-CD1 4.42Å; F2598-I2707 HydrophobicContact CG-CD1 3.88Å; F2598-F2710 HydrophobicContact CB-CD2 4.27Å; F2598-F2710 HydrophobicContact CB-CE2 4.36Å; F2598-F2710 HydrophobicContact CB-CG 4.43Å; F2598-F2710 HydrophobicContact CD1-CD1 4.08Å; F2598-F2710 AromaticContact CD1-CE1 3.68Å; F2598-F2710 HydrophobicContact CD1-CE1 3.68Å; F2598-F2710 HydrophobicContact CD1-CE2 4.34Å; F2598-F2710 AromaticContact CD1-CZ 3.84Å; F2598-F2710 HydrophobicContact CD1-CZ 3.84Å; F2598-F2710 HydrophobicContact CE1-CE1 4.29Å |
| 2599 | E | 79.6 | Confident | 67.7 | Low | 37.2 Ų | 37.2 | 85.1 Ų | 85.1 | 17% | 0.174 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134 | -179.6 | -169.9 | 171.2 | -174 | 0 | 0 | 111 | S2279 F2325 N2326 A2643 F2710 | S2279-E2599 VanDerWaalsContact C-OE2 3.29Å; S2279-E2599 WeakPolarHBondContact CA-OE2 3.27Å; S2279-E2599 WeakPolarHBondContact CB-OE2 3.34Å; F2325-E2599 PolarHBondContact O-N 3.01Å; N2326-E2599 WeakPolarHBondContact CA-O 3.43Å; E2599-A2643 HydrophobicContact CG-CB 4.07Å; E2599-A2643 VanDerWaalsContact OE1-CB 3.23Å; E2599-A2643 WeakPolarHBondContact OE1-CB 3.41Å; E2599-F2710 WeakPolarHBondContact O-CD2 3.33Å; E2599-F2710 WeakPolarHBondContact O-CE2 3.17Å |
| 2600 | I | 76.1 | Confident | 64.9 | Low | 19.8 Ų | 19.8 | 91.5 Ų | 91.5 | 10% | 0.102 | 47% | 0.471 | C | S | . | . | trans | -102.8 | 114.5 | 175.1 | -57.2 | 172.1 | 0 | 0 | 0 | 107.7 | S2602 R2644 L2706 D2709 F2710 E2713 | I2600-S2602 PolarHBondContact O-N 3Å; I2600-R2644 HydrophobicContact CB-CB 4.19Å; I2600-R2644 PolarHBondContact N-O 3.06Å; I2600-L2706 HydrophobicContact CD1-CB 4.41Å; I2600-L2706 HydrophobicContact CD1-CD2 4.29Å; I2600-L2706 WeakPolarHBondContact CD1-O 3.42Å; I2600-D2709 HydrophobicContact CD1-CB 4.25Å; I2600-F2710 HydrophobicContact CD1-CB 4.22Å; I2600-F2710 HydrophobicContact CG1-CB 3.98Å; I2600-F2710 HydrophobicContact CG1-CD2 4.26Å; I2600-E2713 WeakPolarHBondContact CG2-OE2 3.33Å | ||
| 2601 | Q | 65.6 | Low | 62.1 | Low | 64 Ų | 64 | 92.2 Ų | 92.2 | 30% | 0.299 | 50% | 0.496 | S | S | . | . | trans | -73.8 | 124.3 | 179.1 | -73.3 | -175.9 | -11.4 | 0 | 0 | 110.3 | K2280 N2326 E2603 | K2280-Q2601 PolarHBondContact O-NE2 2.86Å; N2326-Q2601 VanDerWaalsContact CG-CD 3.47Å; N2326-Q2601 PolarHBondContact ND2-NE2 3.06Å; N2326-Q2601 VanDerWaalsContact ND2-NE2 3.18Å; N2326-Q2601 PolarHBondContact ND2-OE1 3.09Å; N2326-Q2601 VanDerWaalsContact OD1-CD 3.28Å; N2326-Q2601 VanDerWaalsContact OD1-CG 3.27Å; N2326-Q2601 WeakPolarHBondContact OD1-CG 3.34Å; N2326-Q2601 PolarHBondContact OD1-OE1 2.93Å; Q2601-E2603 PolarHBondContact O-N 2.9Å | ||
| 2602 | S | 54.3 | Low | 59.3 | Low | 64.25 Ų | 64.25 | 99.5 Ų | 99.5 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | trans | -96.7 | 120.4 | 168.5 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | I2600 D2604 R2644 | I2600-S2602 PolarHBondContact O-N 3Å; S2602-D2604 PolarHBondContact O-N 2.93Å; S2602-R2644 VanDerWaalsContact CB-NH1 3.32Å; S2602-R2644 PolarHBondContact OG-NH1 3.18Å | ||
| 2603 | E | 48.2 | Very low | 56.9 | Low | 197.25 Ų | 197.25 | 102.3 Ų | 102.3 | 92% | 0.922 | 55% | 0.551 | S | S | * | * | trans | -69.8 | 28.9 | 178.8 | -65.2 | -171.2 | 142.1 | 0 | 0 | 113.9 | Q2601 T2605 | Q2601-E2603 PolarHBondContact O-N 2.9Å; E2603-T2605 PolarHBondContact O-N 2.8Å | ||
| 2604 | D | 37.8 | Very low | 54.6 | Low | 139 Ų | 139 | 104.7 Ų | 104.7 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | trans | -105.6 | 55.8 | -174.1 | -70.6 | -40.9 | 0 | 0 | 0 | 113.5 | S2602 | S2602-D2604 PolarHBondContact O-N 2.93Š| ||
| 2605 | T | 37.3 | Very low | 52.2 | Low | 131.5 Ų | 131.5 | 113.8 Ų | 113.8 | 81% | 0.807 | 60% | 0.603 | S | S | * | * | trans | -172.5 | 59.1 | 170.7 | 42.4 | 0 | 0 | 0 | 0 | 117 | E2603 | E2603-T2605 PolarHBondContact O-N 2.8Š| ||
| 2606 | E | 37.3 | Very low | 49.7 | Very low | 193.75 Ų | 193.75 | 114.4 Ų | 114.4 | 91% | 0.905 | 62% | 0.62 | S | S | * | * | trans | -119.5 | 38.3 | 157.9 | -72.3 | -165.4 | 167.7 | 0 | 0 | 113 | ||||
| 2607 | D | 35.9 | Very low | 47.1 | Very low | 160.25 Ų | 160.25 | 124.2 Ų | 124.2 | 86% | 0.857 | 66% | 0.656 | S | S | * | * | trans | -137.9 | 63 | 174 | -91 | -25.6 | 0 | 0 | 0 | 112.6 | ||||
| 2608 | E | 33.8 | Very low | 44.7 | Very low | 187.5 Ų | 187.5 | 131.4 Ų | 131.4 | 88% | 0.876 | 69% | 0.688 | S | S | * | * | trans | -154.2 | 89.1 | 159.3 | -89.2 | -163.7 | 159.1 | 0 | 0 | 111.5 | ||||
| 2609 | Q | 35.9 | Very low | 42.3 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -162.7 | 113.4 | 148.2 | -94.7 | 165.4 | 54.1 | 0 | 0 | 111.1 | ||||
| 2610 | T | 34.6 | Very low | 40.1 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 92% | 0.92 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 118.8 | 119 | 152.3 | 47.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 2611 | G | 34.2 | Very low | 38.2 | Very low | 78.5 Ų | 78.5 | 142.4 Ų | 142.4 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | trans | 130.3 | 82.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117 | I2613 | G2611-I2613 PolarHBondContact O-N 2.8Š| ||
| 2612 | D | 32.3 | Very low | 36.7 | Very low | 164.5 Ų | 164.5 | 143.1 Ų | 143.1 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -65 | 122.7 | 164.9 | -71.5 | -58.1 | 0 | 0 | 0 | 112.2 | ||||
| 2613 | I | 38.9 | Very low | 35.8 | Very low | 159.25 Ų | 159.25 | 145.3 Ų | 145.3 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | -157.4 | 126 | 142.1 | -62 | 174.2 | 0 | 0 | 0 | 109.3 | G2611 | G2611-I2613 PolarHBondContact O-N 2.8Š| ||
| 2614 | P | 35.4 | Very low | 35.2 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | trans | -98.4 | 150.1 | 176.8 | 35 | -29.3 | 0 | 0 | 0 | 113.5 | ||||
| 2615 | F | 33.3 | Very low | 35.2 | Very low | 200.25 Ų | 200.25 | 149 Ų | 149 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | 145.3 | 126.7 | 170.5 | -86.1 | -89.5 | 0 | 0 | 0 | 114.5 | ||||
| 2616 | S | 34.7 | Very low | 35.1 | Very low | 99.75 Ų | 99.75 | 146.6 Ų | 146.6 | 70% | 0.698 | 82% | 0.823 | S | S | * | * | 112.3 | 133.6 | 70.2 | 176.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2617 | R | 31.5 | Very low | 35 | Very low | 217.5 Ų | 217.5 | 145.7 Ų | 145.7 | 82% | 0.821 | 82% | 0.817 | S | S | * | * | trans | 50.7 | 127.8 | 139 | -103.3 | 178.3 | -179.7 | -173.9 | 3.7 | 119.5 | ||||
| 2618 | Q | 36.5 | Very low | 35 | Very low | 165.75 Ų | 165.75 | 148 Ų | 148 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | 125.9 | 115.4 | 131.2 | -78.8 | 171.4 | 10.3 | 0 | 0 | 115.5 | ||||
| 2619 | S | 34.6 | Very low | 35 | Very low | 106.25 Ų | 106.25 | 147.8 Ų | 147.8 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | 128.7 | 138.4 | 100.9 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2620 | S | 34.9 | Very low | 34.9 | Very low | 112.25 Ų | 112.25 | 144 Ų | 144 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 107.8 | 123.8 | 138.8 | 56 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2621 | A | 35 | Very low | 35 | Very low | 106.75 Ų | 106.75 | 144.5 Ų | 144.5 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | 102.5 | 126.7 | 103.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2622 | G | 34.2 | Very low | 35.2 | Very low | 79.75 Ų | 79.75 | 149.7 Ų | 149.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | 114.1 | 101.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2623 | S | 36.2 | Very low | 35.1 | Very low | 108.75 Ų | 108.75 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | 138.1 | 119.2 | 126.3 | -170.7 | 0 | 0 | 0 | 0 | 114.4 | F2625 | S2623-F2625 VanDerWaalsContact OG-CD2 3.31Å; S2623-F2625 WeakPolarHBondContact OG-CD2 3.48Å | |||
| 2624 | R | 36 | Very low | 34.8 | Very low | 230.5 Ų | 230.5 | 148.8 Ų | 148.8 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | 135.4 | 106.1 | 85.8 | -83.4 | -179.3 | -169.5 | -179 | 6.6 | 113 | |||||
| 2625 | F | 37.1 | Very low | 34.8 | Very low | 185.25 Ų | 185.25 | 153.4 Ų | 153.4 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 43.1 | 123.4 | 145.6 | -78.1 | -79.8 | 0 | 0 | 0 | 119.8 | S2623 K2627 | S2623-F2625 VanDerWaalsContact OG-CD2 3.31Å; S2623-F2625 WeakPolarHBondContact OG-CD2 3.48Å; F2625-K2627 HydrophobicContact CD1-CD 4.14Å; F2625-K2627 HydrophobicContact CD1-CG 3.82Å; F2625-K2627 HydrophobicContact CE1-CD 4.28Å; F2625-K2627 HydrophobicContact CE1-CG 4.13Å | ||
| 2626 | G | 35.1 | Very low | 34.8 | Very low | 79.25 Ų | 79.25 | 153.8 Ų | 153.8 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -145.1 | 82.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K2628 | G2626-K2628 PolarHBondContact O-N 3.14Š| ||
| 2627 | K | 35 | Very low | 34.6 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -75.2 | 126.1 | -177.7 | -73.4 | 175.2 | 175.1 | 171.1 | 0 | 113 | F2625 K2629 | F2625-K2627 HydrophobicContact CD1-CD 4.14Å; F2625-K2627 HydrophobicContact CD1-CG 3.82Å; F2625-K2627 HydrophobicContact CE1-CD 4.28Å; F2625-K2627 HydrophobicContact CE1-CG 4.13Å; K2627-K2629 PolarHBondContact O-N 3.18Å; K2627-K2629 VanDerWaalsContact O-N 3.09Å | ||
| 2628 | K | 35.4 | Very low | 34.6 | Very low | 207.75 Ų | 207.75 | 149 Ų | 149 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -123.1 | 114.6 | 143.7 | -89.3 | 178.6 | 179.5 | 177.7 | 0 | 108.3 | G2626 S2630 | G2626-K2628 PolarHBondContact O-N 3.14Å; K2628-S2630 PolarHBondContact O-N 3.01Å | ||
| 2629 | K | 33.6 | Very low | 34.3 | Very low | 183.5 Ų | 183.5 | 145.6 Ų | 145.6 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -64.2 | 113.7 | 168.3 | -69.9 | 178.5 | 174.6 | -179.4 | 0 | 110.6 | K2627 L2631 | K2627-K2629 PolarHBondContact O-N 3.18Å; K2627-K2629 VanDerWaalsContact O-N 3.09Å; K2629-L2631 PolarHBondContact O-N 3.48Å | ||
| 2630 | S | 34.5 | Very low | 34.3 | Very low | 106.25 Ų | 106.25 | 147.6 Ų | 147.6 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -54.3 | 125.4 | 137.4 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | K2628 F2632 | K2628-S2630 PolarHBondContact O-N 3.01Å; S2630-F2632 VanDerWaalsContact C-N 3.32Å; S2630-F2632 PolarHBondContact O-N 2.83Å; S2630-F2632 PolarHBondContact OG-N 2.93Å | ||
| 2631 | L | 37.4 | Very low | 34.4 | Very low | 160.25 Ų | 160.25 | 147.5 Ų | 147.5 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -112.2 | 38.4 | 179.1 | -88.1 | 167.1 | 0 | 0 | 0 | 111.7 | K2629 G2633 | K2629-L2631 PolarHBondContact O-N 3.48Å; L2631-G2633 VanDerWaalsContact C-N 3.29Å; L2631-G2633 PolarHBondContact O-N 2.98Å | ||
| 2632 | F | 36.9 | Very low | 34.7 | Very low | 186.5 Ų | 186.5 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -112.2 | 69.6 | 166.2 | -73.6 | -73.2 | 0 | 0 | 0 | 110.3 | S2630 Y2781 | S2630-F2632 VanDerWaalsContact C-N 3.32Å; S2630-F2632 PolarHBondContact O-N 2.83Å; S2630-F2632 PolarHBondContact OG-N 2.93Å; F2632-Y2781 HydrophobicContact CE1-CE1 4.11Å; F2632-Y2781 WeakPolarHBondContact CE1-OH 3.35Å; F2632-Y2781 WeakPolarHBondContact CZ-OH 3.37Å | ||
| 2633 | G | 30.3 | Very low | 35.5 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -129.5 | 80 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2631 | L2631-G2633 VanDerWaalsContact C-N 3.29Å; L2631-G2633 PolarHBondContact O-N 2.98Å | ||
| 2634 | R | 33.2 | Very low | 36.9 | Very low | 237.25 Ų | 237.25 | 147.8 Ų | 147.8 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | 152.7 | 81.1 | 161.3 | -90.1 | 176.4 | -174.5 | -172.4 | 1.2 | 112.5 | ||||
| 2635 | F | 35.9 | Very low | 38.7 | Very low | 204.25 Ų | 204.25 | 139.6 Ų | 139.6 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -145.2 | 102.2 | 135.5 | -95.5 | -77.5 | 0 | 0 | 0 | 107 | P2780 | F2635-P2780 HydrophobicContact CD2-CB 4.35Š| ||
| 2636 | K | 32.5 | Very low | 40.7 | Very low | 209.25 Ų | 209.25 | 131.6 Ų | 131.6 | 91% | 0.91 | 72% | 0.719 | S | S | * | * | trans | -87.5 | 121.1 | 169.3 | -85.2 | -171 | 171.3 | -170.4 | 0 | 107.9 | ||||
| 2637 | S | 30.7 | Very low | 43 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -88.7 | 138.3 | 164.5 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | S2639 D2640 | S2637-S2639 PolarHBondContact O-N 2.89Å; S2637-S2639 PolarHBondContact OG-N 3.16Å; S2637-D2640 VanDerWaalsContact CB-OD1 3.29Å; S2637-D2640 WeakPolarHBondContact CB-OD1 3.4Å; S2637-D2640 PolarHBondContact OG-OD1 2.92Å | ||
| 2638 | P | 31.3 | Very low | 45.4 | Very low | 117.5 Ų | 117.5 | 124.9 Ų | 124.9 | 76% | 0.763 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -96.1 | 126.6 | 167.5 | 34.5 | -28.5 | 0 | 0 | 0 | 111.5 | ||
| 2639 | S | 30.6 | Very low | 47.7 | Very low | 94.25 Ų | 94.25 | 120 Ų | 120 | 66% | 0.659 | 65% | 0.648 | S | S | * | * | trans | -166.7 | 112.4 | 160.7 | 64 | 0 | 0 | 0 | 0 | 111.5 | S2637 A2641 | S2637-S2639 PolarHBondContact O-N 2.89Å; S2637-S2639 PolarHBondContact OG-N 3.16Å; S2639-A2641 PolarHBondContact O-N 3.05Å | ||
| 2640 | D | 34.5 | Very low | 50 | Low | 148.25 Ų | 148.25 | 113.6 Ų | 113.6 | 79% | 0.793 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 60.5 | 163.5 | -70.3 | -30.2 | 0 | 0 | 0 | 115.5 | S2637 S2642 | S2637-D2640 VanDerWaalsContact CB-OD1 3.29Å; S2637-D2640 WeakPolarHBondContact CB-OD1 3.4Å; S2637-D2640 PolarHBondContact OG-OD1 2.92Å; D2640-S2642 PolarHBondContact O-N 3.13Å |
| 2641 | A | 36.3 | Very low | 52.3 | Low | 109.75 Ų | 109.75 | 109.2 Ų | 109.2 | 91% | 0.907 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 13 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S2639 | S2639-A2641 PolarHBondContact O-N 3.05Š|
| 2642 | S | 41.7 | Very low | 54.6 | Low | 100.75 Ų | 100.75 | 101.8 Ų | 101.8 | 71% | 0.705 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -99.9 | 76.3 | 176.3 | -164.5 | 0 | 0 | 0 | 0 | 111.8 | D2640 | D2640-S2642 PolarHBondContact O-N 3.13Š|
| 2643 | A | 50.7 | Low | 57.2 | Low | 54 Ų | 54 | 95.1 Ų | 95.1 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | trans | -72.4 | 76.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E2599 S2645 | E2599-A2643 HydrophobicContact CG-CB 4.07Å; E2599-A2643 VanDerWaalsContact OE1-CB 3.23Å; E2599-A2643 WeakPolarHBondContact OE1-CB 3.41Å; A2643-S2645 PolarHBondContact O-N 3.07Å | ||
| 2644 | R | 67.2 | Low | 60.1 | Low | 146.25 Ų | 146.25 | 92.8 Ų | 92.8 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 36.9 | 178.8 | -71 | -174.7 | 179.7 | 146.3 | 1.3 | 113.3 | I2600 S2602 L2706 | I2600-R2644 HydrophobicContact CB-CB 4.19Å; I2600-R2644 PolarHBondContact N-O 3.06Å; S2602-R2644 VanDerWaalsContact CB-NH1 3.32Å; S2602-R2644 PolarHBondContact OG-NH1 3.18Å; R2644-L2706 HydrophobicContact CB-CD2 4.46Å; R2644-L2706 HydrophobicContact CG-CD2 4.5Å |
| 2645 | S | 72.8 | Confident | 63 | Low | 59.5 Ų | 59.5 | 83.5 Ų | 83.5 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.3 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | F2598 A2643 | F2598-S2645 CarbonylContact O-C 3.56Å; F2598-S2645 VanDerWaalsContact O-CA 3.29Å; F2598-S2645 WeakPolarHBondContact O-CA 3.37Å; A2643-S2645 PolarHBondContact O-N 3.07Å |
| 2646 | M | 80.1 | Confident | 65.8 | Low | 16.75 Ų | 16.75 | 78.6 Ų | 78.6 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.4 | 172 | 177.4 | 176.2 | -127.5 | 0 | 0 | 109.8 | T2597 F2598 I2648 L2703 S2704 L2706 I2707 | T2597-M2646 CarbonylContact C-O 3.55Å; T2597-M2646 VanDerWaalsContact CA-O 3.28Å; T2597-M2646 WeakPolarHBondContact CA-O 3.37Å; F2598-M2646 HydrophobicContact CB-CB 4.46Å; F2598-M2646 PolarHBondContact N-O 3.08Å; F2598-M2646 PolarHBondContact O-N 3.15Å; M2646-I2648 HydrophobicContact CE-CD1 4.13Å; M2646-I2648 HydrophobicContact CE-CG1 4.16Å; M2646-I2648 HydrophobicContact CG-CG1 4.18Å; M2646-I2648 HydrophobicContact SD-CD1 4.06Å; M2646-I2648 HydrophobicContact SD-CG1 4.09Å; M2646-L2703 VanDerWaalsContact CE-CA 3.47Å; M2646-L2703 HydrophobicContact CE-CB 3.99Å; M2646-L2703 HydrophobicContact CE-CD2 3.3Å; M2646-L2703 HydrophobicContact CE-CG 4.22Å; M2646-L2703 HydrophobicContact SD-CD2 4.01Å; M2646-S2704 VanDerWaalsContact CE-O 3.23Å; M2646-S2704 WeakPolarHBondContact CE-O 3.3Å; M2646-L2706 HydrophobicContact CE-CB 4.39Å; M2646-I2707 HydrophobicContact CE-CB 3.9Å; M2646-I2707 HydrophobicContact CE-CG2 4.39Å; M2646-I2707 HydrophobicContact SD-CB 3.88Å; M2646-I2707 HydrophobicContact SD-CD1 4.14Å; M2646-I2707 HydrophobicContact SD-CG1 4.34Å |
| 2647 | I | 82.4 | Confident | 68.7 | Low | 80 Ų | 80 | 69.3 Ų | 69.3 | 41% | 0.41 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.5 | 178.1 | -53.7 | 178.7 | 0 | 0 | 0 | 109.2 | R2595 C2596 T2597 Y2649 | R2595-I2647 HydrophobicContact CB-CG2 4.17Å; C2596-I2647 CarbonylContact O-C 3.56Å; C2596-I2647 WeakPolarHBondContact O-CA 3.4Å; T2597-I2647 HydrophobicContact CG2-CG1 4.17Å; T2597-I2647 HydrophobicContact CG2-CG2 4.33Å; I2647-Y2649 HydrophobicContact CG2-CE1 4.48Å; I2647-Y2649 HydrophobicContact CG2-CE2 4.41Å |
| 2648 | I | 84.3 | Confident | 71.6 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.179 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.6 | 172.6 | -58.4 | -176.1 | 0 | 0 | 0 | 107.6 | R2595 C2596 F2598 M2646 M2697 T2701 L2703 I2707 | R2595-I2648 CarbonylContact C-O 3.5Å; R2595-I2648 WeakPolarHBondContact CA-O 3.34Å; C2596-I2648 HydrophobicContact CB-CB 4.43Å; C2596-I2648 PolarHBondContact N-O 3.17Å; C2596-I2648 PolarHBondContact O-N 3.07Å; F2598-I2648 HydrophobicContact CD2-CD1 4.28Å; F2598-I2648 HydrophobicContact CD2-CG1 4.38Å; F2598-I2648 HydrophobicContact CE2-CB 4.42Å; F2598-I2648 HydrophobicContact CE2-CD1 3.69Å; F2598-I2648 HydrophobicContact CE2-CG1 4.05Å; F2598-I2648 HydrophobicContact CZ-CD1 4.45Å; M2646-I2648 HydrophobicContact CE-CD1 4.13Å; M2646-I2648 HydrophobicContact CE-CG1 4.16Å; M2646-I2648 HydrophobicContact CG-CG1 4.18Å; M2646-I2648 HydrophobicContact SD-CD1 4.06Å; M2646-I2648 HydrophobicContact SD-CG1 4.09Å; I2648-M2697 HydrophobicContact CG2-CE 4.41Å; I2648-T2701 HydrophobicContact CG2-CG2 4.01Å; I2648-L2703 HydrophobicContact CD1-CD2 3.71Å; I2648-L2703 HydrophobicContact CG1-CD2 4.09Å; I2648-I2707 HydrophobicContact CD1-CD1 4.02Å |
| 2649 | Y | 84.2 | Confident | 74.4 | Confident | 104.5 Ų | 104.5 | 64.3 Ų | 64.3 | 41% | 0.41 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 143.1 | 172.6 | -63.6 | -80 | 0 | 0 | 0 | 110.2 | R2595 I2647 M2697 | R2595-Y2649 HydrophobicContact CB-CD1 4.24Å; R2595-Y2649 HydrophobicContact CB-CE1 4.43Å; I2647-Y2649 HydrophobicContact CG2-CE1 4.48Å; I2647-Y2649 HydrophobicContact CG2-CE2 4.41Å; Y2649-M2697 VanDerWaalsContact C-CE 3.45Å; Y2649-M2697 WeakPolarHBondContact O-CE 3.39Å; Y2649-M2697 VanDerWaalsContact O-SD 3.33Å |
| 2650 | L | 81.4 | Confident | 77.1 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.4 | 173.1 | -69.7 | 163.7 | 0 | 0 | 0 | 108.8 | L2321 M2323 G2594 C2596 | L2321-L2650 HydrophobicContact CD2-CD1 4.17Å; L2321-L2650 HydrophobicContact CG-CD1 4.37Å; M2323-L2650 HydrophobicContact CG-CD1 4.45Å; M2323-L2650 HydrophobicContact SD-CD1 4.1Å; G2594-L2650 PolarHBondContact N-O 3.35Å; G2594-L2650 PolarHBondContact O-N 2.91Å; C2596-L2650 VanDerWaalsContact SG-CD1 3.59Å; C2596-L2650 WeakPolarHBondContact SG-CD1 3.34Å |
| 2651 | P | 82.9 | Confident | 79.4 | Confident | 13.25 Ų | 13.25 | 58.1 Ų | 58.1 | 9% | 0.086 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 167.3 | 173.9 | 33.2 | -32.4 | 0 | 0 | 0 | 110.6 | L2653 L2694 E2695 M2697 | P2651-L2653 PolarHBondContact O-N 2.94Å; P2651-L2694 HydrophobicContact CB-CD1 4.47Å; P2651-L2694 HydrophobicContact CB-CG 4.33Å; P2651-L2694 HydrophobicContact CG-CD1 3.63Å; P2651-L2694 VanDerWaalsContact CG-CD1 3.45Å; P2651-L2694 HydrophobicContact CG-CD2 3.84Å; P2651-L2694 HydrophobicContact CG-CG 3.52Å; P2651-L2694 VanDerWaalsContact CG-CG 3.45Å; P2651-E2695 VanDerWaalsContact CB-O 3.25Å; P2651-E2695 WeakPolarHBondContact CB-O 3.37Å; P2651-E2695 WeakPolarHBondContact CG-O 3.41Å; P2651-M2697 HydrophobicContact CB-CG 4.38Å; P2651-M2697 HydrophobicContact CB-SD 3.77Å; P2651-M2697 VanDerWaalsContact CD-SD 3.52Å; P2651-M2697 WeakPolarHBondContact CD-SD 3.15Å; P2651-M2697 HydrophobicContact CG-CE 4.08Å; P2651-M2697 HydrophobicContact CG-CG 4.4Å; P2651-M2697 HydrophobicContact CG-SD 3.72Å |
| 2652 | G | 86.7 | Confident | 81.1 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 133.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V2591 E2695 | V2591-G2652 CarbonylContact O-C 3.51Å; V2591-G2652 VanDerWaalsContact O-CA 3.27Å; V2591-G2652 WeakPolarHBondContact O-CA 3.42Å; G2652-E2695 WeakPolarHBondContact O-CB 3.24Å; G2652-E2695 PolarHBondContact O-N 2.93Å |
| 2653 | L | 90.5 | Very high | 82.2 | Confident | 46.5 Ų | 46.5 | 53.9 Ų | 53.9 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.8 | -178.5 | 172 | 65.3 | 0 | 0 | 0 | 109.3 | H2590 V2591 P2651 I2655 I2692 S2693 L2694 | H2590-L2653 CarbonylContact C-O 3.52Å; H2590-L2653 VanDerWaalsContact CA-O 3.29Å; H2590-L2653 WeakPolarHBondContact CA-O 3.42Å; H2590-L2653 PolarHBondContact ND1-O 2.83Å; V2591-L2653 HydrophobicContact CB-CB 4.13Å; V2591-L2653 HydrophobicContact CG2-CB 4.32Å; V2591-L2653 HydrophobicContact CG2-CD2 4.4Å; V2591-L2653 PolarHBondContact N-O 2.81Å; V2591-L2653 PolarHBondContact O-N 2.96Å; P2651-L2653 PolarHBondContact O-N 2.94Å; L2653-I2655 HydrophobicContact CD1-CD1 4.48Å; L2653-I2655 HydrophobicContact CD1-CG1 4.06Å; L2653-I2655 HydrophobicContact CD2-CD1 4.16Å; L2653-I2655 HydrophobicContact CD2-CG1 4.39Å; L2653-I2655 HydrophobicContact CG-CD1 4.36Å; L2653-I2655 HydrophobicContact CG-CG1 4.11Å; L2653-I2692 HydrophobicContact CD1-CG2 3.94Å; L2653-S2693 WeakPolarHBondContact CA-O 3.4Å; L2653-L2694 HydrophobicContact CB-CD1 4.22Å; L2653-L2694 HydrophobicContact CD1-CD1 3.91Å |
| 2654 | S | 92.2 | Very high | 82.4 | Confident | 20.25 Ų | 20.25 | 55.2 Ų | 55.2 | 14% | 0.142 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.9 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | V2589 K2656 I2692 S2693 | V2589-S2654 CarbonylContact O-C 3.54Å; V2589-S2654 WeakPolarHBondContact O-CA 3.38Å; S2654-K2656 WeakPolarHBondContact OG-CE 3.48Å; S2654-I2692 CarbonylContact O-C 3.47Å; S2654-I2692 WeakPolarHBondContact O-CA 3.36Å; S2654-S2693 WeakPolarHBondContact CB-OG 3.2Å; S2654-S2693 PolarHBondContact N-O 2.91Å; S2654-S2693 PolarHBondContact O-N 2.88Å; S2654-S2693 PolarHBondContact O-OG 2.83Å; S2654-S2693 VanDerWaalsContact O-OG 3.13Å |
| 2655 | I | 93.7 | Very high | 81.4 | Confident | 40.5 Ų | 40.5 | 53 Ų | 53 | 21% | 0.208 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.6 | 175.9 | -54.9 | 175 | 0 | 0 | 0 | 107.7 | R2588 V2589 L2653 M2690 W2691 I2692 | R2588-I2655 CarbonylContact C-O 3.49Å; R2588-I2655 VanDerWaalsContact CA-O 3.27Å; R2588-I2655 WeakPolarHBondContact CA-O 3.29Å; V2589-I2655 HydrophobicContact CB-CB 4.24Å; V2589-I2655 PolarHBondContact N-O 3.18Å; V2589-I2655 PolarHBondContact O-N 2.82Å; L2653-I2655 HydrophobicContact CD1-CD1 4.48Å; L2653-I2655 HydrophobicContact CD1-CG1 4.06Å; L2653-I2655 HydrophobicContact CD2-CD1 4.16Å; L2653-I2655 HydrophobicContact CD2-CG1 4.39Å; L2653-I2655 HydrophobicContact CG-CD1 4.36Å; L2653-I2655 HydrophobicContact CG-CG1 4.11Å; I2655-M2690 HydrophobicContact CG2-CE 3.73Å; I2655-W2691 CarbonylContact C-O 3.54Å; I2655-W2691 VanDerWaalsContact CA-O 3.31Å; I2655-W2691 WeakPolarHBondContact CA-O 3.42Å; I2655-I2692 HydrophobicContact CG1-CG1 4.32Å; I2655-I2692 HydrophobicContact CG1-CG2 4.46Å; I2655-I2692 HydrophobicContact CG2-CG1 4.2Å |
| 2656 | K | 94.4 | Very high | 79.8 | Confident | 103 Ų | 103 | 59.3 Ų | 59.3 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 115.9 | 173.1 | -55.6 | 174.6 | -175.5 | 169.7 | 0 | 108.3 | F2587 R2588 S2654 M2690 W2691 | F2587-K2656 CarbonylContact O-C 3.47Å; F2587-K2656 VanDerWaalsContact O-CA 3.3Å; F2587-K2656 WeakPolarHBondContact O-CA 3.34Å; R2588-K2656 HydrophobicContact CG-CB 4.46Å; R2588-K2656 HydrophobicContact CG-CG 4.24Å; S2654-K2656 WeakPolarHBondContact OG-CE 3.48Å; K2656-M2690 CarbonylContact O-C 3.53Å; K2656-M2690 WeakPolarHBondContact O-CA 3.15Å; K2656-W2691 HydrophobicContact CB-CB 4.28Å; K2656-W2691 PolarHBondContact N-O 3.22Å; K2656-W2691 PolarHBondContact O-N 3.02Å |
| 2657 | A | 93.2 | Very high | 77.6 | Confident | 13.75 Ų | 13.75 | 66.9 Ų | 66.9 | 11% | 0.114 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D2586 F2587 F2688 H2689 M2690 | D2586-A2657 CarbonylContact C-O 3.52Å; F2587-A2657 HydrophobicContact CB-CB 4.33Å; F2587-A2657 HydrophobicContact CD1-CB 4.4Å; F2587-A2657 PolarHBondContact N-O 3.16Å; F2587-A2657 PolarHBondContact O-N 2.91Å; A2657-F2688 HydrophobicContact CB-CE2 4.08Å; A2657-F2688 HydrophobicContact CB-CZ 4.2Å; A2657-H2689 CarbonylContact C-O 3.5Å; A2657-H2689 VanDerWaalsContact CA-O 3.26Å; A2657-H2689 WeakPolarHBondContact CA-O 3.29Å; A2657-M2690 HydrophobicContact CB-CG 4.38Å |
| 2658 | H | 92.1 | Very high | 75.4 | Confident | 54.5 Ų | 54.5 | 67.2 Ų | 67.2 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 118.8 | 178.1 | -178.2 | 80.6 | 0 | 0 | 0 | 108.6 | L2585 D2586 F2688 H2689 | L2585-H2658 CarbonylContact O-C 3.45Å; L2585-H2658 VanDerWaalsContact O-CA 3.27Å; L2585-H2658 WeakPolarHBondContact O-CA 3.22Å; D2586-H2658 IonicContact OD1-CE1 3.66Å; D2586-H2658 IonicContact OD1-CG 3.77Å; D2586-H2658 IonicContact OD1-ND1 3.08Å; D2586-H2658 PolarHBondContact OD1-ND1 3.01Å; D2586-H2658 IonicContact OD2-ND1 2.62Å; H2658-F2688 CarbonylContact O-C 3.54Å; H2658-F2688 WeakPolarHBondContact O-CA 3.3Å; H2658-H2689 HydrophobicContact CB-CB 4.34Å; H2658-H2689 PolarHBondContact N-O 3.03Å; H2658-H2689 PolarHBondContact O-N 2.9Å |
| 2659 | Y | 90.7 | Very high | 73 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.3 | 173.1 | 175.2 | -94.3 | 0 | 0 | 0 | 109.7 | F2583 L2584 L2585 E2687 F2688 V2761 | F2583-Y2659 HydrophobicContact CB-CE1 4.42Å; F2583-Y2659 AromaticContact CD1-CD1 3.65Å; F2583-Y2659 HydrophobicContact CD1-CD1 3.65Å; F2583-Y2659 AromaticContact CD1-CE1 3.75Å; F2583-Y2659 HydrophobicContact CD1-CE1 3.75Å; F2583-Y2659 HydrophobicContact CE1-CD1 4.15Å; F2583-Y2659 HydrophobicContact CE1-CE1 4.41Å; L2584-Y2659 CarbonylContact C-O 3.55Å; L2584-Y2659 VanDerWaalsContact CA-O 3.29Å; L2584-Y2659 WeakPolarHBondContact CA-O 3.32Å; L2585-Y2659 PolarHBondContact N-O 2.87Å; L2585-Y2659 PolarHBondContact O-N 2.9Å; Y2659-E2687 CarbonylContact C-O 3.52Å; Y2659-E2687 WeakPolarHBondContact CA-O 3.4Å; Y2659-F2688 HydrophobicContact CD2-CB 4.25Å; Y2659-F2688 HydrophobicContact CD2-CD2 4.25Å; Y2659-V2761 HydrophobicContact CD2-CG1 4.34Å; Y2659-V2761 HydrophobicContact CE2-CG1 4.16Å; Y2659-V2761 HydrophobicContact CE2-CG2 4.18Å |
| 2660 | R | 87.1 | Confident | 70.8 | Confident | 106.25 Ų | 106.25 | 75 Ų | 75 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131 | 177 | -172.8 | 177.2 | -170.7 | 178.6 | 5.6 | 110.3 | F2583 L2584 K2662 G2686 E2687 | F2583-R2660 CarbonylContact O-C 3.55Å; F2583-R2660 WeakPolarHBondContact O-CA 3.01Å; L2584-R2660 HydrophobicContact CD2-CB 3.72Å; L2584-R2660 HydrophobicContact CD2-CG 3.58Å; R2660-K2662 HydrophobicContact CG-CG 4.44Å; R2660-K2662 VanDerWaalsContact NE-CE 3.32Å; R2660-K2662 VanDerWaalsContact NH2-CE 3.26Å; R2660-G2686 CarbonylContact O-C 3.53Å; R2660-G2686 VanDerWaalsContact O-CA 3.29Å; R2660-G2686 WeakPolarHBondContact O-CA 3.32Å; R2660-E2687 HydrophobicContact CB-CB 4.43Å; R2660-E2687 PolarHBondContact N-O 3.09Å; R2660-E2687 PolarHBondContact O-N 3.01Å |
| 2661 | S | 83.5 | Confident | 68.5 | Low | 6.75 Ų | 6.75 | 80.2 Ų | 80.2 | 5% | 0.047 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.1 | 172.2 | 158.6 | 0 | 0 | 0 | 0 | 110 | D2582 F2583 K2684 | D2582-S2661 VanDerWaalsContact CB-O 3.29Å; D2582-S2661 WeakPolarHBondContact CB-O 3.44Å; D2582-S2661 VanDerWaalsContact CG-O 3.25Å; D2582-S2661 VanDerWaalsContact OD1-C 3.32Å; D2582-S2661 PolarHBondContact OD1-OG 2.96Å; F2583-S2661 PolarHBondContact N-O 3.19Å; F2583-S2661 PolarHBondContact N-OG 2.85Å; F2583-S2661 PolarHBondContact O-N 3.3Å; S2661-K2684 VanDerWaalsContact CB-CE 3.47Å; S2661-K2684 WeakPolarHBondContact OG-CD 3.28Å; S2661-K2684 VanDerWaalsContact OG-CE 3.28Å; S2661-K2684 WeakPolarHBondContact OG-CE 3.32Å; S2661-K2684 PolarHBondContact OG-NZ 2.9Å |
| 2662 | K | 71.2 | Confident | 66.2 | Low | 76.25 Ų | 76.25 | 88.3 Ų | 88.3 | 33% | 0.332 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.9 | 172.6 | -67 | 176.4 | -173.2 | 156.8 | 0 | 110.7 | D2582 R2660 K2684 K2685 E2687 | D2582-K2662 WeakPolarHBondContact OD1-CA 3.32Å; D2582-K2662 PolarHBondContact OD1-N 2.95Å; D2582-K2662 WeakPolarHBondContact OD2-CA 3.16Å; R2660-K2662 HydrophobicContact CG-CG 4.44Å; R2660-K2662 VanDerWaalsContact NE-CE 3.32Å; R2660-K2662 VanDerWaalsContact NH2-CE 3.26Å; K2662-K2684 WeakPolarHBondContact O-CG 3.46Å; K2662-K2685 PolarHBondContact N-O 3.04Å; K2662-K2685 PolarHBondContact O-N 3Å; K2662-K2685 VanDerWaalsContact O-N 3.13Å; K2662-E2687 IonicContact NZ-OE1 2.69Å; K2662-E2687 PolarHBondContact NZ-OE1 2.78Å; K2662-E2687 IonicContact NZ-OE2 3.56Å; K2662-E2687 PolarHBondContact NZ-OE2 2.82Å |
| 2663 | S | 65 | Low | 63.6 | Low | 45.5 Ų | 45.5 | 95 Ų | 95 | 32% | 0.318 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 97.2 | 171.7 | -113 | 0 | 0 | 0 | 0 | 110.2 | A2580 D2582 S2665 K2684 | A2580-S2663 VanDerWaalsContact CB-OG 3.26Å; A2580-S2663 WeakPolarHBondContact CB-OG 3.25Å; D2582-S2663 WeakPolarHBondContact OD1-CB 3.31Å; D2582-S2663 PolarHBondContact OD1-N 3.13Å; D2582-S2663 VanDerWaalsContact OD1-N 3.07Å; D2582-S2663 PolarHBondContact OD1-OG 2.87Å; D2582-S2663 PolarHBondContact OD2-N 2.97Å; D2582-S2663 VanDerWaalsContact OD2-N 3.1Å; S2663-S2665 PolarHBondContact O-N 2.95Å; S2663-K2684 VanDerWaalsContact OG-CE 3.28Å; S2663-K2684 WeakPolarHBondContact OG-CE 3.5Å |
| 2664 | T | 54.6 | Low | 61 | Low | 82.5 Ų | 82.5 | 97.2 Ų | 97.2 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | trans | -86.5 | 128.5 | 176.9 | 26 | 0 | 0 | 0 | 0 | 111.3 | A2682 S2683 | T2664-A2682 WeakPolarHBondContact O-CB 3.37Å; T2664-S2683 PolarHBondContact OG1-O 3.41Å | ||
| 2665 | S | 47.3 | Very low | 58 | Low | 98.75 Ų | 98.75 | 103.2 Ų | 103.2 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | trans | -107.4 | 111.7 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | S2663 M2667 | S2663-S2665 PolarHBondContact O-N 2.95Å; S2665-M2667 PolarHBondContact O-N 3.03Å | ||
| 2666 | E | 38.4 | Very low | 55.1 | Low | 191.5 Ų | 191.5 | 107.2 Ų | 107.2 | 90% | 0.895 | 60% | 0.595 | S | S | * | * | trans | -77.6 | 102.3 | 175.5 | -74.2 | -174.7 | 142 | 0 | 0 | 110.6 | ||||
| 2667 | M | 33.5 | Very low | 52.1 | Low | 176.75 Ų | 176.75 | 111.2 Ų | 111.2 | 87% | 0.871 | 62% | 0.615 | S | S | * | * | trans | -130 | 89 | 155.7 | -77 | -172.6 | 74.9 | 0 | 0 | 108 | S2665 I2669 | S2665-M2667 PolarHBondContact O-N 3.03Å; M2667-I2669 PolarHBondContact O-N 2.8Å | ||
| 2668 | A | 35.8 | Very low | 49.3 | Very low | 86.5 Ų | 86.5 | 116.1 Ų | 116.1 | 72% | 0.715 | 65% | 0.646 | S | S | * | * | trans | -119.3 | 102 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T2670 | A2668-T2670 PolarHBondContact O-N 2.82Å; A2668-T2670 PolarHBondContact O-OG1 2.88Å | ||
| 2669 | I | 35.2 | Very low | 46.4 | Very low | 172.5 Ų | 172.5 | 121.7 Ų | 121.7 | 89% | 0.885 | 68% | 0.676 | S | S | * | * | trans | -2.2 | 107.5 | 161.4 | -52.6 | 166.9 | 0 | 0 | 0 | 113.3 | M2667 | M2667-I2669 PolarHBondContact O-N 2.8Š| ||
| 2670 | T | 37.5 | Very low | 43.7 | Very low | 131.25 Ų | 131.25 | 122.4 Ų | 122.4 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | trans | -143.2 | 139.1 | 159.5 | -25.8 | 0 | 0 | 0 | 0 | 110.4 | A2668 | A2668-T2670 PolarHBondContact O-N 2.82Å; A2668-T2670 PolarHBondContact O-OG1 2.88Å | ||
| 2671 | D | 34 | Very low | 41.5 | Very low | 158.5 Ų | 158.5 | 122.2 Ų | 122.2 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -52.3 | 151.8 | -171.6 | -90 | -42.4 | 0 | 0 | 0 | 118.1 | ||||
| 2672 | Q | 34.3 | Very low | 39.5 | Very low | 182 Ų | 182 | 125.3 Ų | 125.3 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -77 | 123.3 | -171.3 | -56.9 | 173.4 | 18.3 | 0 | 0 | 113.6 | ||||
| 2673 | V | 32.1 | Very low | 38.8 | Very low | 145.5 Ų | 145.5 | 125.8 Ų | 125.8 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | 168.4 | 97 | 146.9 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2674 | A | 35.6 | Very low | 38.6 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 159.9 | 116.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2676 | A2674-V2676 VanDerWaalsContact C-N 3.3Å; A2674-V2676 PolarHBondContact O-N 3.03Å | ||
| 2675 | T | 29.7 | Very low | 39.3 | Very low | 146.5 Ų | 146.5 | 127.9 Ų | 127.9 | 90% | 0.899 | 75% | 0.75 | S | S | * | * | trans | -67.6 | 88.9 | 174.7 | 44.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2676 | V | 33.2 | Very low | 40.7 | Very low | 125.25 Ų | 125.25 | 123.3 Ų | 123.3 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | -150.1 | 119.6 | 148.9 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | A2674 P2678 | A2674-V2676 VanDerWaalsContact C-N 3.3Å; A2674-V2676 PolarHBondContact O-N 3.03Å; V2676-P2678 VanDerWaalsContact O-CD 3.25Å; V2676-P2678 WeakPolarHBondContact O-CD 3.18Å | ||
| 2677 | H | 30.6 | Very low | 42.9 | Very low | 185.75 Ų | 185.75 | 116.6 Ų | 116.6 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | trans | -81.1 | 116.7 | 174.4 | -67.8 | -77.2 | 0 | 0 | 0 | 111.2 | ||||
| 2678 | P | 34.4 | Very low | 45.6 | Very low | 118 Ų | 118 | 110.9 Ų | 110.9 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | trans | -92.8 | 118.8 | 162.9 | 29.2 | -18.5 | 0 | 0 | 0 | 109.3 | V2676 G2680 | V2676-P2678 VanDerWaalsContact O-CD 3.25Å; V2676-P2678 WeakPolarHBondContact O-CD 3.18Å; P2678-G2680 VanDerWaalsContact C-N 3.33Å; P2678-G2680 PolarHBondContact O-N 3.12Å | ||
| 2679 | I | 31.6 | Very low | 48.2 | Very low | 171.5 Ų | 171.5 | 110.3 Ų | 110.3 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -74.9 | 91 | 171.3 | -60.5 | 171.2 | 0 | 0 | 0 | 107.8 | ||||
| 2680 | G | 33.4 | Very low | 51 | Low | 70.5 Ų | 70.5 | 104.6 Ų | 104.6 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -84.7 | 120.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P2678 | P2678-G2680 VanDerWaalsContact C-N 3.33Å; P2678-G2680 PolarHBondContact O-N 3.12Å | ||
| 2681 | S | 40 | Very low | 53.7 | Low | 102.25 Ų | 102.25 | 104 Ų | 104 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | trans | -78.2 | 130.6 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | S2683 | S2681-S2683 PolarHBondContact O-N 3.09Å; S2681-S2683 VanDerWaalsContact O-N 3.1Å | ||
| 2682 | A | 43.2 | Very low | 56.5 | Low | 72 Ų | 72 | 97.8 Ų | 97.8 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | trans | -52.4 | 122 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | T2664 K2684 | T2664-A2682 WeakPolarHBondContact O-CB 3.37Å; A2682-K2684 PolarHBondContact O-N 3.15Å | ||
| 2683 | S | 55.8 | Low | 59.3 | Low | 86.25 Ų | 86.25 | 90.4 Ų | 90.4 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | trans | -93.9 | 115.3 | 176.9 | 64.3 | 0 | 0 | 0 | 0 | 110 | T2664 S2681 K2685 | T2664-S2683 PolarHBondContact OG1-O 3.41Å; S2681-S2683 PolarHBondContact O-N 3.09Å; S2681-S2683 VanDerWaalsContact O-N 3.1Å; S2683-K2685 PolarHBondContact O-N 2.83Å | ||
| 2684 | K | 60.6 | Low | 62.1 | Low | 92.75 Ų | 92.75 | 85.7 Ų | 85.7 | 40% | 0.403 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 121.3 | 173.1 | -147 | 175.8 | -173.1 | 178.5 | 0 | 108.7 | V2581 D2582 S2661 K2662 S2663 A2682 | V2581-K2684 PolarHBondContact O-NZ 2.86Å; D2582-K2684 WeakPolarHBondContact OD1-CE 3.39Å; D2582-K2684 IonicContact OD1-NZ 3.18Å; S2661-K2684 VanDerWaalsContact CB-CE 3.47Å; S2661-K2684 WeakPolarHBondContact OG-CD 3.28Å; S2661-K2684 VanDerWaalsContact OG-CE 3.28Å; S2661-K2684 WeakPolarHBondContact OG-CE 3.32Å; S2661-K2684 PolarHBondContact OG-NZ 2.9Å; K2662-K2684 WeakPolarHBondContact O-CG 3.46Å; S2663-K2684 VanDerWaalsContact OG-CE 3.28Å; S2663-K2684 WeakPolarHBondContact OG-CE 3.5Å; A2682-K2684 PolarHBondContact O-N 3.15Å |
| 2685 | K | 68.9 | Low | 64.6 | Low | 78.25 Ų | 78.25 | 85 Ų | 85 | 34% | 0.34 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.5 | 177.9 | -167.2 | -177.2 | 179.2 | -166.3 | 0 | 109.8 | K2662 S2683 D2762 S2802 | K2662-K2685 PolarHBondContact N-O 3.04Å; K2662-K2685 PolarHBondContact O-N 3Å; K2662-K2685 VanDerWaalsContact O-N 3.13Å; S2683-K2685 PolarHBondContact O-N 2.83Å; K2685-D2762 WeakPolarHBondContact CE-OD2 3.28Å; K2685-D2762 IonicContact NZ-OD2 3.61Å; K2685-D2762 PolarHBondContact NZ-OD2 3.05Å; K2685-S2802 VanDerWaalsContact NZ-CB 3.29Å; K2685-S2802 PolarHBondContact NZ-OG 3.41Å |
| 2686 | G | 77.2 | Confident | 67.2 | Low | 3 Ų | 3 | 80.8 Ų | 80.8 | 3% | 0.031 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 149.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2660 P2760 V2761 D2762 | R2660-G2686 CarbonylContact O-C 3.53Å; R2660-G2686 VanDerWaalsContact O-CA 3.29Å; R2660-G2686 WeakPolarHBondContact O-CA 3.32Å; G2686-P2760 PolarHBondContact N-O 3.13Å; G2686-V2761 CarbonylContact O-C 3.53Å; G2686-V2761 VanDerWaalsContact O-CA 3.32Å; G2686-V2761 WeakPolarHBondContact O-CA 3.38Å; G2686-D2762 PolarHBondContact O-N 3.1Å |
| 2687 | E | 84.5 | Confident | 69.5 | Low | 51 Ų | 51 | 76.5 Ų | 76.5 | 24% | 0.238 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.6 | 170.8 | -69 | 163.9 | -179.7 | 0 | 0 | 107.5 | Y2659 R2660 K2662 D2762 | Y2659-E2687 CarbonylContact C-O 3.52Å; Y2659-E2687 WeakPolarHBondContact CA-O 3.4Å; R2660-E2687 HydrophobicContact CB-CB 4.43Å; R2660-E2687 PolarHBondContact N-O 3.09Å; R2660-E2687 PolarHBondContact O-N 3.01Å; K2662-E2687 IonicContact NZ-OE1 2.69Å; K2662-E2687 PolarHBondContact NZ-OE1 2.78Å; K2662-E2687 IonicContact NZ-OE2 3.56Å; K2662-E2687 PolarHBondContact NZ-OE2 2.82Å; E2687-D2762 CarbonylContact C-O 3.52Å; E2687-D2762 WeakPolarHBondContact CA-O 3.13Å |
| 2688 | F | 89.6 | Confident | 71.6 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 25% | 0.25 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.9 | 176.3 | 178.4 | -107.5 | 0 | 0 | 0 | 110.1 | A2657 H2658 Y2659 M2690 V2761 D2762 V2763 F2764 | A2657-F2688 HydrophobicContact CB-CE2 4.08Å; A2657-F2688 HydrophobicContact CB-CZ 4.2Å; H2658-F2688 CarbonylContact O-C 3.54Å; H2658-F2688 WeakPolarHBondContact O-CA 3.3Å; Y2659-F2688 HydrophobicContact CD2-CB 4.25Å; Y2659-F2688 HydrophobicContact CD2-CD2 4.25Å; F2688-M2690 HydrophobicContact CE1-CB 3.79Å; F2688-M2690 HydrophobicContact CE1-SD 4.43Å; F2688-M2690 HydrophobicContact CZ-CB 3.98Å; F2688-M2690 HydrophobicContact CZ-CG 4.49Å; F2688-M2690 HydrophobicContact CZ-SD 4.37Å; F2688-V2761 HydrophobicContact CB-CG1 3.75Å; F2688-D2762 PolarHBondContact N-O 3.15Å; F2688-V2763 HydrophobicContact CB-CG2 4.37Å; F2688-V2763 HydrophobicContact CD1-CG1 4.21Å; F2688-V2763 HydrophobicContact CD1-CG2 4.43Å; F2688-V2763 CarbonylContact O-C 3.54Å; F2688-V2763 WeakPolarHBondContact O-CA 3.4Å; F2688-F2764 PolarHBondContact O-N 3.12Å |
| 2689 | H | 91.1 | Very high | 73.6 | Confident | 73.75 Ų | 73.75 | 72.8 Ų | 72.8 | 34% | 0.341 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.7 | 176.5 | -57 | -95.7 | 0 | 0 | 0 | 109.3 | A2657 H2658 F2764 | A2657-H2689 CarbonylContact C-O 3.5Å; A2657-H2689 VanDerWaalsContact CA-O 3.26Å; A2657-H2689 WeakPolarHBondContact CA-O 3.29Å; H2658-H2689 HydrophobicContact CB-CB 4.34Å; H2658-H2689 PolarHBondContact N-O 3.03Å; H2658-H2689 PolarHBondContact O-N 2.9Å; H2689-F2764 CarbonylContact C-O 3.52Å; H2689-F2764 VanDerWaalsContact CA-O 3.27Å; H2689-F2764 WeakPolarHBondContact CA-O 3.29Å; H2689-F2764 AromaticContact CE1-CD2 3.44Å; H2689-F2764 VanDerWaalsContact CE1-CD2 3.49Å; H2689-F2764 WeakPolarHBondContact CE1-CD2 3.4Å; H2689-F2764 AromaticContact CE1-CE2 3.86Å; H2689-F2764 AromaticContact CE1-CG 3.88Å; H2689-F2764 AromaticContact ND1-CD2 3.68Å; H2689-F2764 AromaticContact ND1-CG 3.78Å |
| 2690 | M | 94 | Very high | 75.7 | Confident | 51.75 Ų | 51.75 | 68.5 Ų | 68.5 | 26% | 0.255 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.7 | 174.4 | -176.3 | 173.2 | 89.5 | 0 | 0 | 109.6 | I2655 K2656 A2657 F2688 I2692 F2764 V2765 F2766 F2767 | I2655-M2690 HydrophobicContact CG2-CE 3.73Å; K2656-M2690 CarbonylContact O-C 3.53Å; K2656-M2690 WeakPolarHBondContact O-CA 3.15Å; A2657-M2690 HydrophobicContact CB-CG 4.38Å; F2688-M2690 HydrophobicContact CE1-CB 3.79Å; F2688-M2690 HydrophobicContact CE1-SD 4.43Å; F2688-M2690 HydrophobicContact CZ-CB 3.98Å; F2688-M2690 HydrophobicContact CZ-CG 4.49Å; F2688-M2690 HydrophobicContact CZ-SD 4.37Å; M2690-I2692 HydrophobicContact CE-CD1 3.77Å; M2690-I2692 HydrophobicContact CE-CG1 4.08Å; M2690-I2692 HydrophobicContact CG-CD1 4.29Å; M2690-I2692 HydrophobicContact CG-CG1 4.17Å; M2690-I2692 HydrophobicContact SD-CD1 4.02Å; M2690-I2692 HydrophobicContact SD-CG1 4.47Å; M2690-F2764 PolarHBondContact N-O 3.29Å; M2690-V2765 HydrophobicContact CB-CG1 4.32Å; M2690-V2765 HydrophobicContact CB-CG2 4.31Å; M2690-V2765 HydrophobicContact CE-CB 4.34Å; M2690-V2765 HydrophobicContact CE-CG1 3.42Å; M2690-V2765 HydrophobicContact CE-CG2 3.95Å; M2690-V2765 HydrophobicContact CG-CG1 4.47Å; M2690-V2765 CarbonylContact O-C 3.53Å; M2690-V2765 VanDerWaalsContact O-CA 3.32Å; M2690-V2765 WeakPolarHBondContact O-CA 3.39Å; M2690-V2765 HydrophobicContact SD-CG1 4.42Å; M2690-F2766 PolarHBondContact O-N 2.91Å; M2690-F2767 HydrophobicContact CE-CZ 4.17Å |
| 2691 | W | 94.2 | Very high | 78.1 | Confident | 118.5 Ų | 118.5 | 65.6 Ų | 65.6 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.8 | 174.9 | -174.4 | -66.9 | 0 | 0 | 0 | 108.5 | I2655 K2656 F2766 | I2655-W2691 CarbonylContact C-O 3.54Å; I2655-W2691 VanDerWaalsContact CA-O 3.31Å; I2655-W2691 WeakPolarHBondContact CA-O 3.42Å; K2656-W2691 HydrophobicContact CB-CB 4.28Å; K2656-W2691 PolarHBondContact N-O 3.22Å; K2656-W2691 PolarHBondContact O-N 3.02Å; W2691-F2766 CarbonylContact C-O 3.52Å; W2691-F2766 VanDerWaalsContact CA-O 3.3Å; W2691-F2766 WeakPolarHBondContact CA-O 3.37Å; W2691-F2766 HydrophobicContact CD2-CB 4.41Å; W2691-F2766 AromaticContact CD2-CD1 3.47Å; W2691-F2766 HydrophobicContact CD2-CD1 3.47Å; W2691-F2766 VanDerWaalsContact CD2-CD1 3.41Å; W2691-F2766 HydrophobicContact CD2-CE1 4.07Å; W2691-F2766 HydrophobicContact CD2-CG 4.31Å; W2691-F2766 AromaticContact CE2-CD1 3.54Å; W2691-F2766 VanDerWaalsContact CE2-CD1 3.47Å; W2691-F2766 AromaticContact CE2-CE1 3.66Å; W2691-F2766 HydrophobicContact CE3-CB 4.19Å; W2691-F2766 AromaticContact CE3-CD1 3.47Å; W2691-F2766 HydrophobicContact CE3-CD1 3.47Å; W2691-F2766 VanDerWaalsContact CE3-CD1 3.45Å; W2691-F2766 HydrophobicContact CE3-CE1 4.09Å; W2691-F2766 AromaticContact CE3-CG 3.9Å; W2691-F2766 HydrophobicContact CE3-CG 4.03Å; W2691-F2766 HydrophobicContact CG-CD1 4.19Å; W2691-F2766 AromaticContact CH2-CD1 3.67Å; W2691-F2766 HydrophobicContact CH2-CD1 3.67Å; W2691-F2766 AromaticContact CH2-CE1 3.37Å; W2691-F2766 HydrophobicContact CH2-CE1 3.37Å; W2691-F2766 VanDerWaalsContact CH2-CE1 3.45Å; W2691-F2766 HydrophobicContact CH2-CG 4.35Å; W2691-F2766 AromaticContact CH2-CZ 3.94Å; W2691-F2766 HydrophobicContact CH2-CZ 4.09Å; W2691-F2766 AromaticContact CZ2-CD1 3.67Å; W2691-F2766 HydrophobicContact CZ2-CD1 3.67Å; W2691-F2766 VanDerWaalsContact CZ2-CD1 3.48Å; W2691-F2766 AromaticContact CZ2-CE1 3.32Å; W2691-F2766 HydrophobicContact CZ2-CE1 3.32Å; W2691-F2766 VanDerWaalsContact CZ2-CE1 3.46Å; W2691-F2766 HydrophobicContact CZ2-CZ 4.26Å; W2691-F2766 HydrophobicContact CZ3-CB 4.43Å; W2691-F2766 AromaticContact CZ3-CD1 3.57Å; W2691-F2766 HydrophobicContact CZ3-CD1 3.57Å; W2691-F2766 VanDerWaalsContact CZ3-CD1 3.49Å; W2691-F2766 AromaticContact CZ3-CE1 3.77Å; W2691-F2766 HydrophobicContact CZ3-CE1 3.77Å; W2691-F2766 AromaticContact CZ3-CG 3.96Å; W2691-F2766 HydrophobicContact CZ3-CG 4.12Å; W2691-F2766 HydrophobicContact CZ3-CZ 4.42Å |
| 2692 | I | 93.7 | Very high | 80.2 | Confident | 29.5 Ų | 29.5 | 63.8 Ų | 63.8 | 15% | 0.151 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.1 | 174.6 | -62.9 | 168.1 | 0 | 0 | 0 | 106.6 | L2653 S2654 I2655 M2690 F2766 F2767 S2768 | L2653-I2692 HydrophobicContact CD1-CG2 3.94Å; S2654-I2692 CarbonylContact O-C 3.47Å; S2654-I2692 WeakPolarHBondContact O-CA 3.36Å; I2655-I2692 HydrophobicContact CG1-CG1 4.32Å; I2655-I2692 HydrophobicContact CG1-CG2 4.46Å; I2655-I2692 HydrophobicContact CG2-CG1 4.2Å; M2690-I2692 HydrophobicContact CE-CD1 3.77Å; M2690-I2692 HydrophobicContact CE-CG1 4.08Å; M2690-I2692 HydrophobicContact CG-CD1 4.29Å; M2690-I2692 HydrophobicContact CG-CG1 4.17Å; M2690-I2692 HydrophobicContact SD-CD1 4.02Å; M2690-I2692 HydrophobicContact SD-CG1 4.47Å; I2692-F2766 PolarHBondContact N-O 3.18Å; I2692-F2767 HydrophobicContact CB-CD1 3.75Å; I2692-F2767 HydrophobicContact CB-CD2 3.75Å; I2692-F2767 HydrophobicContact CB-CE1 4.09Å; I2692-F2767 HydrophobicContact CB-CE2 4.41Å; I2692-F2767 HydrophobicContact CB-CG 4.46Å; I2692-F2767 HydrophobicContact CD1-CD1 3.86Å; I2692-F2767 HydrophobicContact CD1-CD2 4.29Å; I2692-F2767 HydrophobicContact CD1-CE1 3.26Å; I2692-F2767 HydrophobicContact CD1-CE2 4.43Å; I2692-F2767 HydrophobicContact CD1-CZ 3.71Å; I2692-F2767 HydrophobicContact CG1-CD1 4.37Å; I2692-F2767 HydrophobicContact CG1-CE1 4.23Å; I2692-F2767 HydrophobicContact CG2-CD1 3.94Å; I2692-F2767 HydrophobicContact CG2-CD2 3.6Å; I2692-F2767 HydrophobicContact CG2-CE1 4.25Å; I2692-F2767 HydrophobicContact CG2-CE2 3.74Å; I2692-F2767 CarbonylContact O-C 3.57Å; I2692-F2767 VanDerWaalsContact O-CA 3.29Å; I2692-F2767 WeakPolarHBondContact O-CA 3.37Å; I2692-S2768 PolarHBondContact O-N 2.89Å |
| 2693 | S | 92.4 | Very high | 82.3 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.2 | 176.9 | 129.2 | 0 | 0 | 0 | 0 | 109.7 | L2653 S2654 S2768 | L2653-S2693 WeakPolarHBondContact CA-O 3.4Å; S2654-S2693 WeakPolarHBondContact CB-OG 3.2Å; S2654-S2693 PolarHBondContact N-O 2.91Å; S2654-S2693 PolarHBondContact O-N 2.88Å; S2654-S2693 PolarHBondContact O-OG 2.83Å; S2654-S2693 VanDerWaalsContact O-OG 3.13Å; S2693-S2768 CarbonylContact C-O 3.53Å; S2693-S2768 VanDerWaalsContact CA-O 3.27Å; S2693-S2768 WeakPolarHBondContact CA-O 3.32Å |
| 2694 | L | 90 | Very high | 83.7 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.1 | 172.6 | -158.7 | 74.3 | 0 | 0 | 0 | 108.7 | P2651 L2653 S2768 V2769 Q2770 | P2651-L2694 HydrophobicContact CB-CD1 4.47Å; P2651-L2694 HydrophobicContact CB-CG 4.33Å; P2651-L2694 HydrophobicContact CG-CD1 3.63Å; P2651-L2694 VanDerWaalsContact CG-CD1 3.45Å; P2651-L2694 HydrophobicContact CG-CD2 3.84Å; P2651-L2694 HydrophobicContact CG-CG 3.52Å; P2651-L2694 VanDerWaalsContact CG-CG 3.45Å; L2653-L2694 HydrophobicContact CB-CD1 4.22Å; L2653-L2694 HydrophobicContact CD1-CD1 3.91Å; L2694-S2768 PolarHBondContact N-O 3.23Å; L2694-V2769 HydrophobicContact CB-CB 4.29Å; L2694-V2769 HydrophobicContact CB-CG1 4.21Å; L2694-V2769 HydrophobicContact CB-CG2 3.92Å; L2694-V2769 HydrophobicContact CD2-CG1 3.99Å; L2694-V2769 HydrophobicContact CD2-CG2 4.31Å; L2694-Q2770 PolarHBondContact O-N 3.09Å |
| 2695 | E | 88.2 | Confident | 84.7 | Confident | 76.75 Ų | 76.75 | 54.2 Ų | 54.2 | 36% | 0.359 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 168.6 | 178.4 | -64.9 | 178.2 | -172.5 | 0 | 0 | 111.4 | H2590 P2651 G2652 M2697 | H2590-E2695 IonicContact CE1-OE1 2.77Å; P2651-E2695 VanDerWaalsContact CB-O 3.25Å; P2651-E2695 WeakPolarHBondContact CB-O 3.37Å; P2651-E2695 WeakPolarHBondContact CG-O 3.41Å; G2652-E2695 WeakPolarHBondContact O-CB 3.24Å; G2652-E2695 PolarHBondContact O-N 2.93Å; E2695-M2697 PolarHBondContact O-N 3.28Å |
| 2696 | S | 85.5 | Confident | 85.3 | Confident | 58.75 Ų | 58.75 | 53.1 Ų | 53.1 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 141.3 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 111 | Q2770 A2771 S2772 | S2696-Q2770 VanDerWaalsContact N-OE1 3.07Å; S2696-A2771 VanDerWaalsContact CB-O 3.22Å; S2696-A2771 WeakPolarHBondContact CB-O 3.43Å; S2696-S2772 WeakPolarHBondContact CA-OG 3.34Å |
| 2697 | M | 81.3 | Confident | 85.7 | Confident | 35.5 Ų | 35.5 | 54.5 Ų | 54.5 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 130.1 | 172.2 | -64 | -62 | -87.8 | 0 | 0 | 111.2 | I2648 Y2649 P2651 E2695 E2699 T2701 S2772 | I2648-M2697 HydrophobicContact CG2-CE 4.41Å; Y2649-M2697 VanDerWaalsContact C-CE 3.45Å; Y2649-M2697 WeakPolarHBondContact O-CE 3.39Å; Y2649-M2697 VanDerWaalsContact O-SD 3.33Å; P2651-M2697 HydrophobicContact CB-CG 4.38Å; P2651-M2697 HydrophobicContact CB-SD 3.77Å; P2651-M2697 VanDerWaalsContact CD-SD 3.52Å; P2651-M2697 WeakPolarHBondContact CD-SD 3.15Å; P2651-M2697 HydrophobicContact CG-CE 4.08Å; P2651-M2697 HydrophobicContact CG-CG 4.4Å; P2651-M2697 HydrophobicContact CG-SD 3.72Å; E2695-M2697 PolarHBondContact O-N 3.28Å; M2697-E2699 VanDerWaalsContact C-N 3.31Å; M2697-E2699 PolarHBondContact O-N 3.01Å; M2697-T2701 HydrophobicContact CE-CG2 3.7Å; M2697-T2701 VanDerWaalsContact CE-OG1 3.31Å; M2697-T2701 WeakPolarHBondContact CE-OG1 3.31Å; M2697-T2701 HydrophobicContact CG-CG2 4.21Å; M2697-T2701 HydrophobicContact SD-CG2 3.84Å; M2697-S2772 PolarHBondContact N-OG 3.16Å; M2697-S2772 VanDerWaalsContact N-OG 3.13Å |
| 2698 | P | 74.2 | Confident | 85.7 | Confident | 99.25 Ų | 99.25 | 53.4 Ų | 53.4 | 64% | 0.644 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -68.9 | -29.6 | -177.3 | 26.3 | -34.2 | 0 | 0 | 0 | 113 | ||
| 2699 | E | 76.1 | Confident | 85.4 | Confident | 125.5 Ų | 125.5 | 52.6 Ų | 52.6 | 59% | 0.586 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -129.3 | 159.1 | 176.8 | -64.4 | -169.8 | 168.7 | 0 | 0 | 111.2 | M2697 T2701 | M2697-E2699 VanDerWaalsContact C-N 3.31Å; M2697-E2699 PolarHBondContact O-N 3.01Å; E2699-T2701 PolarHBondContact O-N 3.08Å; E2699-T2701 VanDerWaalsContact O-N 3.16Å |
| 2700 | E | 76.9 | Confident | 85.1 | Confident | 82.75 Ų | 82.75 | 49.8 Ų | 49.8 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | trans | -63.2 | 115.2 | 176.2 | -154.4 | -169.3 | -162.1 | 0 | 0 | 110.3 | V2702 R2775 Y2787 | E2700-V2702 PolarHBondContact O-N 3Å; E2700-V2702 VanDerWaalsContact O-N 3.14Å; E2700-R2775 VanDerWaalsContact CD-NE 3.27Å; E2700-R2775 HydrophobicContact CG-CB 4.23Å; E2700-R2775 VanDerWaalsContact OE1-CB 3.25Å; E2700-R2775 WeakPolarHBondContact OE1-CB 3.38Å; E2700-R2775 WeakPolarHBondContact OE1-CD 3.42Å; E2700-R2775 IonicContact OE1-CZ 3.43Å; E2700-R2775 IonicContact OE1-NE 3.44Å; E2700-R2775 PolarHBondContact OE1-NE 2.81Å; E2700-R2775 IonicContact OE1-NH2 3.28Å; E2700-R2775 IonicContact OE2-CZ 3.45Å; E2700-R2775 VanDerWaalsContact OE2-CZ 3.3Å; E2700-R2775 IonicContact OE2-NE 3.05Å; E2700-R2775 PolarHBondContact OE2-NE 3.01Å; E2700-R2775 VanDerWaalsContact OE2-NE 3.13Å; E2700-R2775 IonicContact OE2-NH2 3.51Å; E2700-R2775 PolarHBondContact OE2-NH2 2.95Å; E2700-Y2787 VanDerWaalsContact OE1-CD2 3.27Å; E2700-Y2787 WeakPolarHBondContact OE1-CD2 3.27Å; E2700-Y2787 WeakPolarHBondContact OE1-CE2 3.39Å; E2700-Y2787 PolarHBondContact OE1-OH 3.04Å | ||
| 2701 | T | 82.5 | Confident | 84.6 | Confident | 9.75 Ų | 9.75 | 49.6 Ų | 49.6 | 6% | 0.06 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 115.4 | -180 | -2.6 | 0 | 0 | 0 | 0 | 110.4 | I2648 M2697 E2699 L2703 C2773 I2774 R2775 | I2648-T2701 HydrophobicContact CG2-CG2 4.01Å; M2697-T2701 HydrophobicContact CE-CG2 3.7Å; M2697-T2701 VanDerWaalsContact CE-OG1 3.31Å; M2697-T2701 WeakPolarHBondContact CE-OG1 3.31Å; M2697-T2701 HydrophobicContact CG-CG2 4.21Å; M2697-T2701 HydrophobicContact SD-CG2 3.84Å; E2699-T2701 PolarHBondContact O-N 3.08Å; E2699-T2701 VanDerWaalsContact O-N 3.16Å; T2701-L2703 HydrophobicContact CG2-CD2 3.94Å; T2701-L2703 HydrophobicContact CG2-CG 4.41Å; T2701-C2773 PolarHBondContact N-O 2.92Å; T2701-C2773 VanDerWaalsContact N-O 3.13Å; T2701-C2773 PolarHBondContact OG1-O 3.16Å; T2701-I2774 WeakPolarHBondContact O-CA 3.21Å; T2701-I2774 WeakPolarHBondContact OG1-CG1 3.3Å; T2701-R2775 PolarHBondContact O-N 3Å |
| 2702 | V | 85 | Confident | 84 | Confident | 63.25 Ų | 63.25 | 46 Ų | 46 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 110.2 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | E2700 R2775 T2777 | E2700-V2702 PolarHBondContact O-N 3Å; E2700-V2702 VanDerWaalsContact O-N 3.14Å; V2702-R2775 CarbonylContact C-O 3.54Å; V2702-R2775 VanDerWaalsContact CA-O 3.32Å; V2702-R2775 WeakPolarHBondContact CA-O 3.31Å; V2702-T2777 HydrophobicContact CG1-CG2 3.59Å |
| 2703 | L | 86.4 | Confident | 83.4 | Confident | 22.75 Ų | 22.75 | 47.4 Ų | 47.4 | 12% | 0.119 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141.9 | 176.8 | -58.1 | -179.7 | 0 | 0 | 0 | 111 | M2646 I2648 T2701 I2774 R2775 F2776 T2777 W2939 | M2646-L2703 VanDerWaalsContact CE-CA 3.47Å; M2646-L2703 HydrophobicContact CE-CB 3.99Å; M2646-L2703 HydrophobicContact CE-CD2 3.3Å; M2646-L2703 HydrophobicContact CE-CG 4.22Å; M2646-L2703 HydrophobicContact SD-CD2 4.01Å; I2648-L2703 HydrophobicContact CD1-CD2 3.71Å; I2648-L2703 HydrophobicContact CG1-CD2 4.09Å; T2701-L2703 HydrophobicContact CG2-CD2 3.94Å; T2701-L2703 HydrophobicContact CG2-CG 4.41Å; L2703-I2774 HydrophobicContact CD1-CG2 3.57Å; L2703-I2774 VanDerWaalsContact CD1-CG2 3.45Å; L2703-I2774 HydrophobicContact CG-CG2 3.84Å; L2703-R2775 PolarHBondContact N-O 3.24Å; L2703-F2776 HydrophobicContact CB-CD1 4.1Å; L2703-F2776 HydrophobicContact CB-CE1 4.4Å; L2703-F2776 HydrophobicContact CD1-CD1 4.09Å; L2703-F2776 HydrophobicContact CD1-CE1 3.58Å; L2703-F2776 HydrophobicContact CD1-CZ 4.02Å; L2703-T2777 PolarHBondContact O-N 2.97Å; L2703-T2777 PolarHBondContact O-OG1 2.99Å; L2703-W2939 HydrophobicContact CB-CH2 3.78Å; L2703-W2939 HydrophobicContact CB-CZ2 4.27Å |
| 2704 | S | 84.6 | Confident | 82.8 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | trans | -121 | 150.7 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | M2646 L2706 I2707 T2777 W2939 | M2646-S2704 VanDerWaalsContact CE-O 3.23Å; M2646-S2704 WeakPolarHBondContact CE-O 3.3Å; S2704-L2706 PolarHBondContact O-N 3.03Å; S2704-I2707 VanDerWaalsContact O-CG2 3.32Å; S2704-I2707 WeakPolarHBondContact O-CG2 3.3Å; S2704-I2707 PolarHBondContact O-N 3.09Å; S2704-I2707 VanDerWaalsContact O-N 3.15Å; S2704-T2777 WeakPolarHBondContact CA-OG1 3.37Å; S2704-W2939 VanDerWaalsContact C-CH2 3.46Å; S2704-W2939 VanDerWaalsContact O-CH2 3.32Å; S2704-W2939 WeakPolarHBondContact O-CH2 3.33Å | ||
| 2705 | P | 82.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.8 | 177.4 | -25.5 | 36.7 | 0 | 0 | 0 | 114.3 | I2707 L2708 D2709 T2777 L2779 Y2781 W2939 | P2705-I2707 PolarHBondContact O-N 3.05Å; P2705-I2707 VanDerWaalsContact O-N 3.13Å; P2705-L2708 VanDerWaalsContact O-CB 3.31Å; P2705-L2708 WeakPolarHBondContact O-CB 3.28Å; P2705-L2708 PolarHBondContact O-N 3.04Å; P2705-D2709 PolarHBondContact O-N 3.34Å; P2705-T2777 VanDerWaalsContact CD-O 3.29Å; P2705-T2777 WeakPolarHBondContact CD-O 3.35Å; P2705-L2779 WeakPolarHBondContact CD-O 3.41Å; P2705-Y2781 HydrophobicContact CB-CD2 4.13Å; P2705-Y2781 HydrophobicContact CB-CE2 3.98Å; P2705-Y2781 HydrophobicContact CG-CD2 4.17Å; P2705-Y2781 HydrophobicContact CG-CE2 4.35Å; P2705-W2939 HydrophobicContact CG-CZ2 4.38Å |
| 2706 | L | 81.4 | Confident | 81.3 | Confident | 54.75 Ų | 54.75 | 46.8 Ų | 46.8 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -50.7 | -31.9 | 171.5 | -67.3 | 171.5 | 0 | 0 | 0 | 113.5 | I2600 R2644 M2646 S2704 L2708 D2709 F2710 | I2600-L2706 HydrophobicContact CD1-CB 4.41Å; I2600-L2706 HydrophobicContact CD1-CD2 4.29Å; I2600-L2706 WeakPolarHBondContact CD1-O 3.42Å; R2644-L2706 HydrophobicContact CB-CD2 4.46Å; R2644-L2706 HydrophobicContact CG-CD2 4.5Å; M2646-L2706 HydrophobicContact CE-CB 4.39Å; S2704-L2706 PolarHBondContact O-N 3.03Å; L2706-L2708 VanDerWaalsContact C-N 3.25Å; L2706-L2708 PolarHBondContact O-N 2.9Å; L2706-D2709 WeakPolarHBondContact O-CB 3.48Å; L2706-D2709 PolarHBondContact O-N 3.23Å; L2706-D2709 VanDerWaalsContact O-N 3.1Å; L2706-F2710 PolarHBondContact O-N 3.05Å |
| 2707 | I | 85.3 | Confident | 80.1 | Confident | 33.75 Ų | 33.75 | 46.3 Ų | 46.3 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -30.2 | 176.7 | -163.3 | 148.6 | 0 | 0 | 0 | 112.3 | F2598 M2646 I2648 S2704 P2705 D2709 F2710 V2711 W2939 | F2598-I2707 HydrophobicContact CB-CD1 4.34Å; F2598-I2707 HydrophobicContact CD1-CD1 4.08Å; F2598-I2707 HydrophobicContact CD2-CD1 4.05Å; F2598-I2707 HydrophobicContact CE1-CD1 4.43Å; F2598-I2707 HydrophobicContact CE2-CD1 4.42Å; F2598-I2707 HydrophobicContact CG-CD1 3.88Å; M2646-I2707 HydrophobicContact CE-CB 3.9Å; M2646-I2707 HydrophobicContact CE-CG2 4.39Å; M2646-I2707 HydrophobicContact SD-CB 3.88Å; M2646-I2707 HydrophobicContact SD-CD1 4.14Å; M2646-I2707 HydrophobicContact SD-CG1 4.34Å; I2648-I2707 HydrophobicContact CD1-CD1 4.02Å; S2704-I2707 VanDerWaalsContact O-CG2 3.32Å; S2704-I2707 WeakPolarHBondContact O-CG2 3.3Å; S2704-I2707 PolarHBondContact O-N 3.09Å; S2704-I2707 VanDerWaalsContact O-N 3.15Å; P2705-I2707 PolarHBondContact O-N 3.05Å; P2705-I2707 VanDerWaalsContact O-N 3.13Å; I2707-D2709 VanDerWaalsContact C-N 3.33Å; I2707-F2710 PolarHBondContact O-N 2.78Å; I2707-V2711 VanDerWaalsContact O-CG2 3.27Å; I2707-V2711 WeakPolarHBondContact O-CG2 3.27Å; I2707-V2711 PolarHBondContact O-N 3.04Å; I2707-V2711 VanDerWaalsContact O-N 3.08Å; I2707-W2939 HydrophobicContact CG2-CH2 3.95Å; I2707-W2939 HydrophobicContact CG2-CZ3 3.72Å |
| 2708 | L | 83.9 | Confident | 79 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.2 | -36.6 | 175.9 | -58.8 | 175.6 | 0 | 0 | 0 | 110.7 | P2705 L2706 F2710 V2711 E2712 W2939 R2941 I2944 | P2705-L2708 VanDerWaalsContact O-CB 3.31Å; P2705-L2708 WeakPolarHBondContact O-CB 3.28Å; P2705-L2708 PolarHBondContact O-N 3.04Å; L2706-L2708 VanDerWaalsContact C-N 3.25Å; L2706-L2708 PolarHBondContact O-N 2.9Å; L2708-F2710 VanDerWaalsContact C-N 3.34Å; L2708-V2711 PolarHBondContact O-N 2.91Å; L2708-E2712 VanDerWaalsContact O-CB 3.25Å; L2708-E2712 WeakPolarHBondContact O-CB 3.4Å; L2708-E2712 PolarHBondContact O-N 3.05Å; L2708-W2939 HydrophobicContact CD1-CB 4.39Å; L2708-W2939 HydrophobicContact CD1-CD2 4.36Å; L2708-W2939 HydrophobicContact CD1-CE3 3.82Å; L2708-W2939 HydrophobicContact CD1-CZ3 4.36Å; L2708-W2939 VanDerWaalsContact CD1-O 3.28Å; L2708-W2939 WeakPolarHBondContact CD1-O 3.24Å; L2708-W2939 HydrophobicContact CD2-CE3 4.39Å; L2708-W2939 HydrophobicContact CD2-CZ3 4.48Å; L2708-W2939 HydrophobicContact CG-CE3 4.16Å; L2708-W2939 HydrophobicContact CG-CZ3 4.24Å; L2708-R2941 HydrophobicContact CB-CG 4.07Å; L2708-R2941 HydrophobicContact CD1-CG 4.29Å; L2708-I2944 HydrophobicContact CB-CD1 4.23Å; L2708-I2944 HydrophobicContact CD2-CD1 4.24Å; L2708-I2944 WeakPolarHBondContact O-CD1 3.2Å |
| 2709 | D | 83.2 | Confident | 77.9 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 175.7 | -58.2 | -19.5 | 0 | 0 | 0 | 109.9 | I2600 P2705 L2706 I2707 V2711 E2712 E2713 R2941 | I2600-D2709 HydrophobicContact CD1-CB 4.25Å; P2705-D2709 PolarHBondContact O-N 3.34Å; L2706-D2709 WeakPolarHBondContact O-CB 3.48Å; L2706-D2709 PolarHBondContact O-N 3.23Å; L2706-D2709 VanDerWaalsContact O-N 3.1Å; I2707-D2709 VanDerWaalsContact C-N 3.33Å; D2709-V2711 PolarHBondContact O-N 2.97Å; D2709-E2712 PolarHBondContact O-N 2.82Å; D2709-E2713 WeakPolarHBondContact O-CB 3.34Å; D2709-E2713 PolarHBondContact O-N 2.92Å; D2709-R2941 IonicContact OD1-CZ 3Å; D2709-R2941 IonicContact OD1-NE 3.15Å; D2709-R2941 IonicContact OD1-NH2 3Å; D2709-R2941 PolarHBondContact OD1-NH2 2.97Å |
| 2710 | F | 84.8 | Confident | 76.6 | Confident | 13.75 Ų | 13.75 | 39.9 Ų | 39.9 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 171.3 | 175.2 | -89.5 | 0 | 0 | 0 | 112.8 | F2325 N2326 T2327 I2329 F2598 E2599 I2600 L2706 I2707 L2708 A2714 | F2325-F2710 HydrophobicContact CB-CZ 4.06Å; F2325-F2710 WeakPolarHBondContact O-CE2 3.34Å; N2326-F2710 VanDerWaalsContact C-CE2 3.47Å; N2326-F2710 WeakPolarHBondContact O-CZ 3.45Å; T2327-F2710 HydrophobicContact CG2-CD2 3.69Å; T2327-F2710 HydrophobicContact CG2-CE2 3.9Å; T2327-F2710 HydrophobicContact CG2-CG 4.26Å; I2329-F2710 HydrophobicContact CG2-CZ 4.33Å; F2598-F2710 HydrophobicContact CB-CD2 4.27Å; F2598-F2710 HydrophobicContact CB-CE2 4.36Å; F2598-F2710 HydrophobicContact CB-CG 4.43Å; F2598-F2710 HydrophobicContact CD1-CD1 4.08Å; F2598-F2710 AromaticContact CD1-CE1 3.68Å; F2598-F2710 HydrophobicContact CD1-CE1 3.68Å; F2598-F2710 HydrophobicContact CD1-CE2 4.34Å; F2598-F2710 AromaticContact CD1-CZ 3.84Å; F2598-F2710 HydrophobicContact CD1-CZ 3.84Å; F2598-F2710 HydrophobicContact CE1-CE1 4.29Å; E2599-F2710 WeakPolarHBondContact O-CD2 3.33Å; E2599-F2710 WeakPolarHBondContact O-CE2 3.17Å; I2600-F2710 HydrophobicContact CD1-CB 4.22Å; I2600-F2710 HydrophobicContact CG1-CB 3.98Å; I2600-F2710 HydrophobicContact CG1-CD2 4.26Å; L2706-F2710 PolarHBondContact O-N 3.05Å; I2707-F2710 PolarHBondContact O-N 2.78Å; L2708-F2710 VanDerWaalsContact C-N 3.34Å; F2710-A2714 VanDerWaalsContact O-CB 3.26Å; F2710-A2714 WeakPolarHBondContact O-CB 3.32Å; F2710-A2714 PolarHBondContact O-N 2.86Å |
| 2711 | V | 84 | Confident | 75.3 | Confident | 48.5 Ų | 48.5 | 42.7 Ų | 42.7 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -37.6 | -179.9 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | I2707 L2708 D2709 L2715 I2944 | I2707-V2711 VanDerWaalsContact O-CG2 3.27Å; I2707-V2711 WeakPolarHBondContact O-CG2 3.27Å; I2707-V2711 PolarHBondContact O-N 3.04Å; I2707-V2711 VanDerWaalsContact O-N 3.08Å; L2708-V2711 PolarHBondContact O-N 2.91Å; D2709-V2711 PolarHBondContact O-N 2.97Å; V2711-L2715 HydrophobicContact CG1-CD1 3.89Å; V2711-L2715 HydrophobicContact CG1-CG 4.39Å; V2711-L2715 VanDerWaalsContact O-CB 3.31Å; V2711-L2715 WeakPolarHBondContact O-CB 3.39Å; V2711-L2715 WeakPolarHBondContact O-CD1 3.27Å; V2711-L2715 WeakPolarHBondContact O-CG 3.38Å; V2711-L2715 PolarHBondContact O-N 2.81Å; V2711-L2715 VanDerWaalsContact O-N 3.11Å; V2711-I2944 HydrophobicContact CB-CD1 4.29Å; V2711-I2944 HydrophobicContact CG1-CD1 4.04Å; V2711-I2944 HydrophobicContact CG1-CG1 4.26Å; V2711-I2944 HydrophobicContact CG1-CG2 4.22Å |
| 2712 | E | 81.9 | Confident | 73.4 | Confident | 42.75 Ų | 42.75 | 45.9 Ų | 45.9 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -48.2 | 177.5 | -169.2 | 156.7 | -146 | 0 | 0 | 110.6 | L2708 D2709 L2715 E2716 R2941 A2943 I2944 R2947 | L2708-E2712 VanDerWaalsContact O-CB 3.25Å; L2708-E2712 WeakPolarHBondContact O-CB 3.4Å; L2708-E2712 PolarHBondContact O-N 3.05Å; D2709-E2712 PolarHBondContact O-N 2.82Å; E2712-L2715 CarbonylContact O-C 3.48Å; E2712-L2715 PolarHBondContact O-N 3.2Å; E2712-E2716 WeakPolarHBondContact O-CG 3.33Å; E2712-E2716 PolarHBondContact O-N 3.21Å; E2712-R2941 WeakPolarHBondContact OE2-CD 3.38Å; E2712-R2941 IonicContact OE2-CZ 3.72Å; E2712-R2941 IonicContact OE2-NE 3Å; E2712-R2941 PolarHBondContact OE2-NE 3.19Å; E2712-A2943 VanDerWaalsContact OE1-CB 3.25Å; E2712-A2943 WeakPolarHBondContact OE1-CB 3.2Å; E2712-I2944 HydrophobicContact CB-CD1 4.27Å; E2712-I2944 HydrophobicContact CB-CG1 4.27Å; E2712-I2944 HydrophobicContact CG-CG1 4.47Å; E2712-R2947 PolarHBondContact O-NH1 2.82Å |
| 2713 | E | 80.6 | Confident | 71.1 | Confident | 58.25 Ų | 58.25 | 46 Ų | 46 | 27% | 0.272 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.5 | -167 | -176.3 | 136.9 | 0 | 0 | 112.6 | T2327 I2600 D2709 L2715 E2716 I2717 | T2327-E2713 VanDerWaalsContact CB-OE1 3.25Å; T2327-E2713 WeakPolarHBondContact CB-OE1 3.18Å; T2327-E2713 HydrophobicContact CG2-CB 4.12Å; T2327-E2713 HydrophobicContact CG2-CG 4.11Å; T2327-E2713 VanDerWaalsContact CG2-OE1 3.27Å; T2327-E2713 WeakPolarHBondContact CG2-OE1 3.35Å; T2327-E2713 PolarHBondContact OG1-OE1 2.91Å; I2600-E2713 WeakPolarHBondContact CG2-OE2 3.33Å; D2709-E2713 WeakPolarHBondContact O-CB 3.34Å; D2709-E2713 PolarHBondContact O-N 2.92Å; E2713-L2715 VanDerWaalsContact C-N 3.25Å; E2713-L2715 PolarHBondContact O-N 2.89Å; E2713-L2715 VanDerWaalsContact O-N 3.15Å; E2713-E2716 WeakPolarHBondContact O-CA 3.48Å; E2713-E2716 PolarHBondContact O-N 3.25Å; E2713-E2716 VanDerWaalsContact O-N 3.08Å; E2713-I2717 HydrophobicContact CG-CD1 4.4Å; E2713-I2717 WeakPolarHBondContact O-CG1 3.33Å; E2713-I2717 PolarHBondContact O-N 2.99Å; E2713-I2717 VanDerWaalsContact O-N 3.09Å |
| 2714 | A | 79.3 | Confident | 68.8 | Low | 1.25 Ų | 1.25 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2327 I2330 F2710 | T2327-A2714 VanDerWaalsContact O-CA 3.23Å; T2327-A2714 WeakPolarHBondContact O-CA 3.25Å; T2327-A2714 WeakPolarHBondContact O-CB 3.38Å; I2330-A2714 HydrophobicContact CD1-CB 3.76Å; I2330-A2714 HydrophobicContact CG1-CB 4.24Å; F2710-A2714 VanDerWaalsContact O-CB 3.26Å; F2710-A2714 WeakPolarHBondContact O-CB 3.32Å; F2710-A2714 PolarHBondContact O-N 2.86Å |
| 2715 | L | 75.9 | Confident | 66.8 | Low | 38.75 Ų | 38.75 | 55.8 Ų | 55.8 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.2 | -25.6 | 173.4 | -70.4 | 172.1 | 0 | 0 | 0 | 113.1 | I2330 V2711 E2712 E2713 S2719 I2944 R2947 | I2330-L2715 HydrophobicContact CD1-CD2 4.13Å; I2330-L2715 HydrophobicContact CD1-CG 4.43Å; V2711-L2715 HydrophobicContact CG1-CD1 3.89Å; V2711-L2715 HydrophobicContact CG1-CG 4.39Å; V2711-L2715 VanDerWaalsContact O-CB 3.31Å; V2711-L2715 WeakPolarHBondContact O-CB 3.39Å; V2711-L2715 WeakPolarHBondContact O-CD1 3.27Å; V2711-L2715 WeakPolarHBondContact O-CG 3.38Å; V2711-L2715 PolarHBondContact O-N 2.81Å; V2711-L2715 VanDerWaalsContact O-N 3.11Å; E2712-L2715 CarbonylContact O-C 3.48Å; E2712-L2715 PolarHBondContact O-N 3.2Å; E2713-L2715 VanDerWaalsContact C-N 3.25Å; E2713-L2715 PolarHBondContact O-N 2.89Å; E2713-L2715 VanDerWaalsContact O-N 3.15Å; L2715-S2719 PolarHBondContact O-N 2.75Å; L2715-S2719 PolarHBondContact O-OG 2.78Å; L2715-I2944 HydrophobicContact CD1-CG2 4.39Å; L2715-R2947 HydrophobicContact CD1-CB 4.29Å |
| 2716 | E | 70.7 | Confident | 64.6 | Low | 98 Ų | 98 | 62.8 Ų | 62.8 | 46% | 0.458 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.6 | -41.7 | 176.5 | -75.8 | -169.8 | 170.1 | 0 | 0 | 112.7 | E2712 E2713 A2718 S2719 A2720 R2947 | E2712-E2716 WeakPolarHBondContact O-CG 3.33Å; E2712-E2716 PolarHBondContact O-N 3.21Å; E2713-E2716 WeakPolarHBondContact O-CA 3.48Å; E2713-E2716 PolarHBondContact O-N 3.25Å; E2713-E2716 VanDerWaalsContact O-N 3.08Å; E2716-A2718 VanDerWaalsContact C-N 3.28Å; E2716-A2718 PolarHBondContact O-N 3.09Å; E2716-A2718 VanDerWaalsContact O-N 3.15Å; E2716-S2719 PolarHBondContact O-N 3.13Å; E2716-S2719 VanDerWaalsContact O-N 3.11Å; E2716-A2720 WeakPolarHBondContact O-CB 3.34Å; E2716-A2720 PolarHBondContact O-N 2.93Å; E2716-A2720 VanDerWaalsContact O-N 3.16Å; E2716-R2947 VanDerWaalsContact CG-NH1 3.27Å; E2716-R2947 IonicContact OE1-CZ 2.64Å; E2716-R2947 IonicContact OE1-NH1 2.7Å; E2716-R2947 IonicContact OE1-NH2 3.14Å; E2716-R2947 PolarHBondContact OE1-NH2 2.88Å |
| 2717 | I | 61.6 | Low | 62.4 | Low | 48.5 Ų | 48.5 | 67.8 Ų | 67.8 | 25% | 0.249 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.2 | -36.2 | 178.4 | -64.9 | 167 | 0 | 0 | 0 | 111.1 | T2327 K2328 H2331 E2713 S2719 | T2327-I2717 WeakPolarHBondContact OG1-CD1 3.32Å; K2328-I2717 HydrophobicContact CG-CD1 4.24Å; H2331-I2717 HydrophobicContact CB-CG2 4.1Å; E2713-I2717 HydrophobicContact CG-CD1 4.4Å; E2713-I2717 WeakPolarHBondContact O-CG1 3.33Å; E2713-I2717 PolarHBondContact O-N 2.99Å; E2713-I2717 VanDerWaalsContact O-N 3.09Å; I2717-S2719 VanDerWaalsContact C-N 3.32Å; I2717-S2719 PolarHBondContact O-N 3.15Å |
| 2718 | A | 57.7 | Low | 59.9 | Low | 27.5 Ų | 27.5 | 69.6 Ų | 69.6 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.1 | -32.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | I2330 E2716 N2722 | I2330-A2718 HydrophobicContact CG2-CB 4.34Å; E2716-A2718 VanDerWaalsContact C-N 3.28Å; E2716-A2718 PolarHBondContact O-N 3.09Å; E2716-A2718 VanDerWaalsContact O-N 3.15Å; A2718-N2722 VanDerWaalsContact O-CG 3.32Å; A2718-N2722 PolarHBondContact O-ND2 2.9Å; A2718-N2722 VanDerWaalsContact O-ND2 3.16Å |
| 2719 | S | 50.7 | Low | 57.5 | Low | 30.75 Ų | 30.75 | 72.7 Ų | 72.7 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -90.4 | -36.5 | -176.3 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | L2715 E2716 I2717 R2721 N2722 T2723 E2953 | L2715-S2719 PolarHBondContact O-N 2.75Å; L2715-S2719 PolarHBondContact O-OG 2.78Å; E2716-S2719 PolarHBondContact O-N 3.13Å; E2716-S2719 VanDerWaalsContact O-N 3.11Å; I2717-S2719 VanDerWaalsContact C-N 3.32Å; I2717-S2719 PolarHBondContact O-N 3.15Å; S2719-R2721 VanDerWaalsContact C-N 3.33Å; S2719-R2721 PolarHBondContact O-N 2.95Å; S2719-N2722 PolarHBondContact O-N 3.09Å; S2719-T2723 PolarHBondContact O-N 3.08Å; S2719-T2723 PolarHBondContact O-OG1 2.94Å; S2719-T2723 VanDerWaalsContact O-OG1 3.05Å; S2719-E2953 PolarHBondContact OG-OE1 3.49Å |
| 2720 | A | 49 | Very low | 55 | Low | 67 Ų | 67 | 76.9 Ų | 76.9 | 55% | 0.554 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | E2716 N2722 T2723 | E2716-A2720 WeakPolarHBondContact O-CB 3.34Å; E2716-A2720 PolarHBondContact O-N 2.93Å; E2716-A2720 VanDerWaalsContact O-N 3.16Å; A2720-N2722 VanDerWaalsContact C-N 3.33Å; A2720-T2723 PolarHBondContact O-OG1 2.75Å |
| 2721 | R | 50.3 | Low | 52.3 | Low | 143 Ų | 143 | 81.9 Ų | 81.9 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -83.4 | -22.2 | 177.8 | -88.4 | -177.5 | 174.1 | -177.6 | -1.8 | 114.3 | E2210 H2331 S2719 T2723 R2725 | E2210-R2721 IonicContact OE1-CZ 3.79Å; E2210-R2721 IonicContact OE1-NH1 3.25Å; E2210-R2721 PolarHBondContact OE1-NH1 2.92Å; E2210-R2721 IonicContact OE1-NH2 3.61Å; E2210-R2721 IonicContact OE2-NH1 2.74Å; E2210-R2721 PolarHBondContact OE2-NH1 2.86Å; H2331-R2721 PolarHBondContact NE2-NH1 3.34Å; S2719-R2721 VanDerWaalsContact C-N 3.33Å; S2719-R2721 PolarHBondContact O-N 2.95Å; R2721-T2723 VanDerWaalsContact C-N 3.33Å; R2721-R2725 PolarHBondContact O-NE 2.86Å; R2721-R2725 PolarHBondContact O-NH1 2.94Å; R2721-R2725 PolarHBondContact O-NH2 2.84Å |
| 2722 | N | 42.2 | Very low | 49.7 | Very low | 76 Ų | 76 | 84.7 Ų | 84.7 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -82.1 | -29.3 | 179.1 | -70.9 | -23.1 | 0 | 0 | 0 | 112.4 | R2338 A2718 S2719 A2720 S2724 R2725 | R2338-N2722 PolarHBondContact NH2-OD1 3.12Å; R2338-N2722 VanDerWaalsContact NH2-OD1 3.11Å; A2718-N2722 VanDerWaalsContact O-CG 3.32Å; A2718-N2722 PolarHBondContact O-ND2 2.9Å; A2718-N2722 VanDerWaalsContact O-ND2 3.16Å; S2719-N2722 PolarHBondContact O-N 3.09Å; A2720-N2722 VanDerWaalsContact C-N 3.33Å; N2722-S2724 PolarHBondContact O-N 2.91Å; N2722-R2725 WeakPolarHBondContact O-CB 3.41Å; N2722-R2725 PolarHBondContact O-N 2.84Å; N2722-R2725 VanDerWaalsContact O-N 3.13Å; N2722-R2725 PolarHBondContact OD1-NH1 3.11Å |
| 2723 | T | 37.4 | Very low | 47.3 | Very low | 66.5 Ų | 66.5 | 91.6 Ų | 91.6 | 41% | 0.408 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -84.8 | -27.3 | -174.6 | 43 | 0 | 0 | 0 | 0 | 114.6 | S2719 A2720 R2721 R2725 L2726 | S2719-T2723 PolarHBondContact O-N 3.08Å; S2719-T2723 PolarHBondContact O-OG1 2.94Å; S2719-T2723 VanDerWaalsContact O-OG1 3.05Å; A2720-T2723 PolarHBondContact O-OG1 2.75Å; R2721-T2723 VanDerWaalsContact C-N 3.33Å; T2723-R2725 PolarHBondContact O-N 2.94Å; T2723-R2725 VanDerWaalsContact O-N 3.14Å; T2723-L2726 PolarHBondContact O-N 2.95Å |
| 2724 | S | 38 | Very low | 44.7 | Very low | 90.25 Ų | 90.25 | 94.3 Ų | 94.3 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -25.1 | 179.8 | 138.4 | 0 | 0 | 0 | 0 | 114.1 | N2722 | N2722-S2724 PolarHBondContact O-N 2.91Š|
| 2725 | R | 40.8 | Very low | 42.5 | Very low | 163.75 Ų | 163.75 | 100 Ų | 100 | 62% | 0.618 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -12.2 | -171.6 | -60.8 | -175.2 | -174.5 | 156.2 | 3.9 | 114.8 | E2210 R2721 N2722 T2723 | E2210-R2725 IonicContact OE1-NH2 2.68Å; R2721-R2725 PolarHBondContact O-NE 2.86Å; R2721-R2725 PolarHBondContact O-NH1 2.94Å; R2721-R2725 PolarHBondContact O-NH2 2.84Å; N2722-R2725 WeakPolarHBondContact O-CB 3.41Å; N2722-R2725 PolarHBondContact O-N 2.84Å; N2722-R2725 VanDerWaalsContact O-N 3.13Å; N2722-R2725 PolarHBondContact OD1-NH1 3.11Å; T2723-R2725 PolarHBondContact O-N 2.94Å; T2723-R2725 VanDerWaalsContact O-N 3.14Å |
| 2726 | L | 37.5 | Very low | 40.1 | Very low | 147.75 Ų | 147.75 | 105.4 Ų | 105.4 | 77% | 0.774 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -5.7 | -175.7 | -111.5 | 144.1 | 0 | 0 | 0 | 114.3 | T2723 | T2723-L2726 PolarHBondContact O-N 2.95Š|
| 2727 | L | 36 | Very low | 38.3 | Very low | 160.5 Ų | 160.5 | 110.7 Ų | 110.7 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -114.6 | 4.5 | -173.1 | -74.2 | 162.5 | 0 | 0 | 0 | 114.6 | ||
| 2728 | G | 32.3 | Very low | 36.8 | Very low | 71.25 Ų | 71.25 | 113.3 Ų | 113.3 | 74% | 0.735 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -108.4 | -6.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 2729 | A | 33.4 | Very low | 35.7 | Very low | 92.25 Ų | 92.25 | 115.2 Ų | 115.2 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -123.4 | 84.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2730 | T | 30.4 | Very low | 35 | Very low | 128.75 Ų | 128.75 | 119.9 Ų | 119.9 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | -100.8 | 92.2 | 174.9 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | S2732 | T2730-S2732 PolarHBondContact O-N 3Š| ||
| 2731 | S | 29.2 | Very low | 34.6 | Very low | 118.75 Ų | 118.75 | 122 Ų | 122 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | trans | -105.4 | 85.1 | 154.1 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2732 | S | 29.6 | Very low | 34.2 | Very low | 106.25 Ų | 106.25 | 118.8 Ų | 118.8 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -174.2 | 119.5 | 150.6 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | T2730 | T2730-S2732 PolarHBondContact O-N 3Š|
| 2733 | Q | 31 | Very low | 34.3 | Very low | 188 Ų | 188 | 119.4 Ų | 119.4 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | trans | 81 | 95.3 | 160.3 | -68 | -178.4 | 13.2 | 0 | 0 | 115 | V2735 | Q2733-V2735 PolarHBondContact O-N 2.81Š| ||
| 2734 | S | 26.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -60.3 | 122.8 | 158.9 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2735 | V | 31.6 | Very low | 34.9 | Very low | 119.5 Ų | 119.5 | 123.6 Ų | 123.6 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -137.2 | 126 | 148.1 | -179 | 0 | 0 | 0 | 0 | 107.3 | Q2733 W2737 | Q2733-V2735 PolarHBondContact O-N 2.81Å; V2735-W2737 PolarHBondContact O-N 2.85Å | ||
| 2736 | D | 26.4 | Very low | 35.2 | Very low | 153.5 Ų | 153.5 | 121.6 Ų | 121.6 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | -61.3 | 122.2 | -175.3 | -68 | -55.1 | 0 | 0 | 0 | 113.5 | ||||
| 2737 | W | 32.9 | Very low | 35.5 | Very low | 208.5 Ų | 208.5 | 120 Ų | 120 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | -147.4 | 31.8 | 166 | -84.1 | 101.5 | 0 | 0 | 0 | 112.4 | V2735 G2739 M2740 | V2735-W2737 PolarHBondContact O-N 2.85Å; W2737-G2739 VanDerWaalsContact C-N 3.34Å; W2737-G2739 PolarHBondContact O-N 2.9Å; W2737-G2739 VanDerWaalsContact O-N 3.09Å; W2737-M2740 HydrophobicContact CZ3-CE 4.25Å | ||
| 2738 | A | 31 | Very low | 35.7 | Very low | 103.25 Ų | 103.25 | 115.1 Ų | 115.1 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 52 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2739 | G | 34.6 | Very low | 36.4 | Very low | 68.5 Ų | 68.5 | 117.7 Ų | 117.7 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | W2737 | W2737-G2739 VanDerWaalsContact C-N 3.34Å; W2737-G2739 PolarHBondContact O-N 2.9Å; W2737-G2739 VanDerWaalsContact O-N 3.09Å |
| 2740 | M | 34.5 | Very low | 37 | Very low | 129.5 Ų | 129.5 | 119.2 Ų | 119.2 | 64% | 0.638 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -127.1 | 6.2 | -165.3 | -146 | 115 | 118.5 | 0 | 0 | 115.9 | W2737 | W2737-M2740 HydrophobicContact CZ3-CE 4.25Š|
| 2741 | T | 40.7 | Very low | 37.6 | Very low | 110.75 Ų | 110.75 | 115.7 Ų | 115.7 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -92.5 | -21.4 | -171.4 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | D2743 V2744 | T2741-D2743 VanDerWaalsContact C-N 3.29Å; T2741-D2743 PolarHBondContact O-N 2.83Å; T2741-V2744 PolarHBondContact O-N 2.8Å |
| 2742 | S | 42.6 | Very low | 38.3 | Very low | 74.75 Ų | 74.75 | 112.6 Ų | 112.6 | 52% | 0.523 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67 | -33.9 | 174.6 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | V2744 E2745 Q2746 | S2742-V2744 VanDerWaalsContact C-N 3.3Å; S2742-V2744 PolarHBondContact O-N 2.96Å; S2742-E2745 PolarHBondContact O-N 2.8Å; S2742-Q2746 WeakPolarHBondContact O-CB 3.41Å; S2742-Q2746 PolarHBondContact O-N 3.07Å; S2742-Q2746 VanDerWaalsContact O-N 3.08Å |
| 2743 | D | 44.6 | Very low | 39.1 | Very low | 89.5 Ų | 89.5 | 110.3 Ų | 110.3 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.1 | -28.5 | -172.3 | -64.4 | -1.3 | 0 | 0 | 0 | 111.6 | T2741 L2747 | T2741-D2743 VanDerWaalsContact C-N 3.29Å; T2741-D2743 PolarHBondContact O-N 2.83Å; D2743-L2747 VanDerWaalsContact O-CB 3.26Å; D2743-L2747 WeakPolarHBondContact O-CB 3.38Å; D2743-L2747 WeakPolarHBondContact O-CD1 3.3Å; D2743-L2747 PolarHBondContact O-N 2.83Å; D2743-L2747 VanDerWaalsContact O-N 3.08Å |
| 2744 | V | 45.7 | Very low | 39.8 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 61% | 0.606 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.3 | -39.8 | 180 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | T2741 S2742 Q2746 L2747 A2748 | T2741-V2744 PolarHBondContact O-N 2.8Å; S2742-V2744 VanDerWaalsContact C-N 3.3Å; S2742-V2744 PolarHBondContact O-N 2.96Å; V2744-Q2746 VanDerWaalsContact C-N 3.34Å; V2744-L2747 PolarHBondContact O-N 3.01Å; V2744-A2748 VanDerWaalsContact O-CB 3.26Å; V2744-A2748 WeakPolarHBondContact O-CB 3.13Å; V2744-A2748 PolarHBondContact O-N 2.8Å |
| 2745 | E | 41.8 | Very low | 40.7 | Very low | 144 Ų | 144 | 100.5 Ų | 100.5 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.4 | -38.6 | 175.3 | -69.7 | -171.8 | 157.4 | 0 | 0 | 111.5 | S2742 A2748 L2749 | S2742-E2745 PolarHBondContact O-N 2.8Å; E2745-A2748 PolarHBondContact O-N 2.76Å; E2745-L2749 WeakPolarHBondContact O-CB 3.31Å; E2745-L2749 WeakPolarHBondContact O-CG 3.45Å; E2745-L2749 PolarHBondContact O-N 2.89Å; E2745-L2749 VanDerWaalsContact O-N 3.13Å |
| 2746 | Q | 46.9 | Very low | 41.5 | Very low | 123 Ų | 123 | 99.2 Ų | 99.2 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.8 | -37.2 | 176.4 | -160.1 | 167.3 | -0.9 | 0 | 0 | 111.8 | S2742 V2744 L2749 Q2750 | S2742-Q2746 WeakPolarHBondContact O-CB 3.41Å; S2742-Q2746 PolarHBondContact O-N 3.07Å; S2742-Q2746 VanDerWaalsContact O-N 3.08Å; V2744-Q2746 VanDerWaalsContact C-N 3.34Å; Q2746-L2749 PolarHBondContact O-N 2.81Å; Q2746-Q2750 WeakPolarHBondContact O-CB 3.34Å; Q2746-Q2750 WeakPolarHBondContact O-CG 3.25Å; Q2746-Q2750 PolarHBondContact O-N 2.81Å |
| 2747 | L | 44 | Very low | 42.5 | Very low | 112.75 Ų | 112.75 | 94.8 Ų | 94.8 | 59% | 0.59 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.9 | -38.8 | 169.6 | -109.5 | 121.4 | 0 | 0 | 0 | 112.1 | D2743 V2744 Q2750 A2751 | D2743-L2747 VanDerWaalsContact O-CB 3.26Å; D2743-L2747 WeakPolarHBondContact O-CB 3.38Å; D2743-L2747 WeakPolarHBondContact O-CD1 3.3Å; D2743-L2747 PolarHBondContact O-N 2.83Å; D2743-L2747 VanDerWaalsContact O-N 3.08Å; V2744-L2747 PolarHBondContact O-N 3.01Å; L2747-Q2750 PolarHBondContact O-N 2.98Å; L2747-A2751 WeakPolarHBondContact O-CA 3.36Å; L2747-A2751 VanDerWaalsContact O-CB 3.27Å; L2747-A2751 WeakPolarHBondContact O-CB 3.35Å; L2747-A2751 PolarHBondContact O-N 2.92Å |
| 2748 | A | 41.4 | Very low | 43.2 | Very low | 57.75 Ų | 57.75 | 88 Ų | 88 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2744 E2745 A2751 A2752 | V2744-A2748 VanDerWaalsContact O-CB 3.26Å; V2744-A2748 WeakPolarHBondContact O-CB 3.13Å; V2744-A2748 PolarHBondContact O-N 2.8Å; E2745-A2748 PolarHBondContact O-N 2.76Å; A2748-A2751 PolarHBondContact O-N 3.1Å; A2748-A2752 VanDerWaalsContact O-CB 3.26Å; A2748-A2752 WeakPolarHBondContact O-CB 3.32Å; A2748-A2752 PolarHBondContact O-N 3.09Å |
| 2749 | L | 46.2 | Very low | 44.3 | Very low | 126 Ų | 126 | 87.4 Ų | 87.4 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.4 | -38.7 | 173.1 | -80.9 | 160.7 | 0 | 0 | 0 | 112.5 | E2745 Q2746 A2752 S2753 | E2745-L2749 WeakPolarHBondContact O-CB 3.31Å; E2745-L2749 WeakPolarHBondContact O-CG 3.45Å; E2745-L2749 PolarHBondContact O-N 2.89Å; E2745-L2749 VanDerWaalsContact O-N 3.13Å; Q2746-L2749 PolarHBondContact O-N 2.81Å; L2749-A2752 PolarHBondContact O-N 2.96Å; L2749-S2753 VanDerWaalsContact O-CB 3.28Å; L2749-S2753 WeakPolarHBondContact O-CB 3.33Å; L2749-S2753 PolarHBondContact O-N 2.9Å; L2749-S2753 PolarHBondContact O-OG 2.9Å |
| 2750 | Q | 45.6 | Very low | 45.7 | Very low | 124.5 Ų | 124.5 | 87 Ų | 87 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 172.3 | -80.1 | -177.5 | -23.8 | 0 | 0 | 111.9 | Q2746 L2747 A2752 S2753 A2754 | Q2746-Q2750 WeakPolarHBondContact O-CB 3.34Å; Q2746-Q2750 WeakPolarHBondContact O-CG 3.25Å; Q2746-Q2750 PolarHBondContact O-N 2.81Å; L2747-Q2750 PolarHBondContact O-N 2.98Å; Q2750-A2752 VanDerWaalsContact C-N 3.34Å; Q2750-A2752 PolarHBondContact O-N 3.06Å; Q2750-S2753 PolarHBondContact O-N 3Å; Q2750-A2754 VanDerWaalsContact O-CB 3.25Å; Q2750-A2754 WeakPolarHBondContact O-CB 3.33Å; Q2750-A2754 PolarHBondContact O-N 2.94Å |
| 2751 | A | 42.4 | Very low | 47.4 | Very low | 54.75 Ų | 54.75 | 81.2 Ų | 81.2 | 45% | 0.452 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2747 A2748 A2754 A2755 | L2747-A2751 WeakPolarHBondContact O-CA 3.36Å; L2747-A2751 VanDerWaalsContact O-CB 3.27Å; L2747-A2751 WeakPolarHBondContact O-CB 3.35Å; L2747-A2751 PolarHBondContact O-N 2.92Å; A2748-A2751 PolarHBondContact O-N 3.1Å; A2751-A2754 PolarHBondContact O-N 2.97Å; A2751-A2755 VanDerWaalsContact O-CB 3.24Å; A2751-A2755 WeakPolarHBondContact O-CB 3.16Å; A2751-A2755 PolarHBondContact O-N 3.05Å |
| 2752 | A | 44 | Very low | 49.2 | Very low | 53.25 Ų | 53.25 | 76.8 Ų | 76.8 | 44% | 0.44 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2748 L2749 Q2750 A2755 V2756 | A2748-A2752 VanDerWaalsContact O-CB 3.26Å; A2748-A2752 WeakPolarHBondContact O-CB 3.32Å; A2748-A2752 PolarHBondContact O-N 3.09Å; L2749-A2752 PolarHBondContact O-N 2.96Å; Q2750-A2752 VanDerWaalsContact C-N 3.34Å; Q2750-A2752 PolarHBondContact O-N 3.06Å; A2752-A2755 PolarHBondContact O-N 3.12Å; A2752-V2756 VanDerWaalsContact O-CG2 3.3Å; A2752-V2756 WeakPolarHBondContact O-CG2 3.42Å; A2752-V2756 PolarHBondContact O-N 3.2Å; A2752-V2756 VanDerWaalsContact O-N 3.1Å |
| 2753 | S | 47.3 | Very low | 51.2 | Low | 59 Ų | 59 | 74.8 Ų | 74.8 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 175 | -111.5 | 0 | 0 | 0 | 0 | 111.8 | L2749 Q2750 A2755 V2756 E2757 | L2749-S2753 VanDerWaalsContact O-CB 3.28Å; L2749-S2753 WeakPolarHBondContact O-CB 3.33Å; L2749-S2753 PolarHBondContact O-N 2.9Å; L2749-S2753 PolarHBondContact O-OG 2.9Å; Q2750-S2753 PolarHBondContact O-N 3Å; S2753-A2755 VanDerWaalsContact C-N 3.33Å; S2753-V2756 PolarHBondContact O-N 3.09Å; S2753-E2757 WeakPolarHBondContact O-CB 3.29Å; S2753-E2757 WeakPolarHBondContact O-CG 3.32Å; S2753-E2757 PolarHBondContact O-N 2.92Å; S2753-E2757 VanDerWaalsContact O-N 3.13Å |
| 2754 | A | 46 | Very low | 53.3 | Low | 52.5 Ų | 52.5 | 74.2 Ų | 74.2 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2750 A2751 E2757 S2758 | Q2750-A2754 VanDerWaalsContact O-CB 3.25Å; Q2750-A2754 WeakPolarHBondContact O-CB 3.33Å; Q2750-A2754 PolarHBondContact O-N 2.94Å; A2751-A2754 PolarHBondContact O-N 2.97Å; A2754-E2757 CarbonylContact O-C 3.44Å; A2754-E2757 PolarHBondContact O-N 2.96Å; A2754-S2758 VanDerWaalsContact O-CB 3.27Å; A2754-S2758 WeakPolarHBondContact O-CB 3.41Å; A2754-S2758 PolarHBondContact O-N 3.04Å; A2754-S2758 PolarHBondContact O-OG 2.96Å |
| 2755 | A | 44 | Very low | 55.5 | Low | 45 Ų | 45 | 70.4 Ų | 70.4 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2449 A2751 A2752 S2753 E2757 S2758 F2759 | S2449-A2755 WeakPolarHBondContact OG-CA 3.38Å; S2449-A2755 PolarHBondContact OG-O 3.08Å; A2751-A2755 VanDerWaalsContact O-CB 3.24Å; A2751-A2755 WeakPolarHBondContact O-CB 3.16Å; A2751-A2755 PolarHBondContact O-N 3.05Å; A2752-A2755 PolarHBondContact O-N 3.12Å; S2753-A2755 VanDerWaalsContact C-N 3.33Å; A2755-E2757 VanDerWaalsContact C-N 3.32Å; A2755-E2757 PolarHBondContact O-N 2.94Å; A2755-S2758 VanDerWaalsContact CA-OG 3.28Å; A2755-S2758 WeakPolarHBondContact CA-OG 3.41Å; A2755-S2758 PolarHBondContact O-N 3.08Å; A2755-S2758 VanDerWaalsContact O-N 3.14Å; A2755-S2758 PolarHBondContact O-OG 3.35Å; A2755-S2758 VanDerWaalsContact O-OG 3.1Å; A2755-F2759 PolarHBondContact O-N 3.2Å; A2755-F2759 VanDerWaalsContact O-N 3.15Å |
| 2756 | V | 48.9 | Very low | 58 | Low | 92 Ų | 92 | 65.3 Ų | 65.3 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 173.3 | 174.4 | 0 | 0 | 0 | 0 | 111 | A2752 S2753 S2758 F2759 Y2799 | A2752-V2756 VanDerWaalsContact O-CG2 3.3Å; A2752-V2756 WeakPolarHBondContact O-CG2 3.42Å; A2752-V2756 PolarHBondContact O-N 3.2Å; A2752-V2756 VanDerWaalsContact O-N 3.1Å; S2753-V2756 PolarHBondContact O-N 3.09Å; V2756-S2758 VanDerWaalsContact C-N 3.29Å; V2756-S2758 PolarHBondContact O-N 3.2Å; V2756-F2759 PolarHBondContact O-N 3.4Å; V2756-Y2799 HydrophobicContact CG1-CD2 4.43Å; V2756-Y2799 HydrophobicContact CG1-CE1 4.45Å; V2756-Y2799 HydrophobicContact CG1-CE2 4.24Å; V2756-Y2799 VanDerWaalsContact O-CZ 3.31Å; V2756-Y2799 PolarHBondContact O-OH 2.98Å |
| 2757 | E | 47.4 | Very low | 60.2 | Low | 62 Ų | 62 | 62.6 Ų | 62.6 | 29% | 0.29 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -21.4 | 175.8 | -74.9 | -173.7 | 179.3 | 0 | 0 | 113.4 | S2753 A2754 A2755 Y2799 K2801 S2883 Y2885 | S2753-E2757 WeakPolarHBondContact O-CB 3.29Å; S2753-E2757 WeakPolarHBondContact O-CG 3.32Å; S2753-E2757 PolarHBondContact O-N 2.92Å; S2753-E2757 VanDerWaalsContact O-N 3.13Å; A2754-E2757 CarbonylContact O-C 3.44Å; A2754-E2757 PolarHBondContact O-N 2.96Å; A2755-E2757 VanDerWaalsContact C-N 3.32Å; A2755-E2757 PolarHBondContact O-N 2.94Å; E2757-Y2799 VanDerWaalsContact CA-OH 3.3Å; E2757-Y2799 WeakPolarHBondContact CA-OH 3.32Å; E2757-Y2799 PolarHBondContact O-OH 3.16Å; E2757-K2801 WeakPolarHBondContact O-CE 3.37Å; E2757-K2801 PolarHBondContact O-NZ 3.23Å; E2757-S2883 PolarHBondContact OE1-OG 3.24Å; E2757-Y2885 PolarHBondContact OE2-OH 2.77Å |
| 2758 | S | 48.5 | Very low | 62.4 | Low | 65.75 Ų | 65.75 | 58 Ų | 58 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -95.1 | -13 | -176.1 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | L2448 S2449 A2754 A2755 V2756 P2760 K2801 | L2448-S2758 CarbonylContact O-C 3.5Å; S2449-S2758 WeakPolarHBondContact O-CB 3.4Å; S2449-S2758 PolarHBondContact O-OG 2.87Å; A2754-S2758 VanDerWaalsContact O-CB 3.27Å; A2754-S2758 WeakPolarHBondContact O-CB 3.41Å; A2754-S2758 PolarHBondContact O-N 3.04Å; A2754-S2758 PolarHBondContact O-OG 2.96Å; A2755-S2758 VanDerWaalsContact CA-OG 3.28Å; A2755-S2758 WeakPolarHBondContact CA-OG 3.41Å; A2755-S2758 PolarHBondContact O-N 3.08Å; A2755-S2758 VanDerWaalsContact O-N 3.14Å; A2755-S2758 PolarHBondContact O-OG 3.35Å; A2755-S2758 VanDerWaalsContact O-OG 3.1Å; V2756-S2758 VanDerWaalsContact C-N 3.29Å; V2756-S2758 PolarHBondContact O-N 3.2Å; S2758-P2760 WeakPolarHBondContact O-CD 3.29Å; S2758-K2801 PolarHBondContact O-NZ 3.03Å; S2758-K2801 VanDerWaalsContact O-NZ 3.09Å |
| 2759 | F | 54 | Low | 64.8 | Low | 89.25 Ų | 89.25 | 56.5 Ų | 56.5 | 39% | 0.391 | 33% | 0.332 | S | S | . | . | trans | -60.6 | 121.2 | -177.5 | -150.8 | -109.3 | 0 | 0 | 0 | 112.6 | L2448 S2449 A2755 V2756 V2761 V2763 K2801 | L2448-F2759 HydrophobicContact CB-CD2 3.4Å; L2448-F2759 HydrophobicContact CB-CE2 3.57Å; L2448-F2759 HydrophobicContact CB-CG 4.16Å; L2448-F2759 HydrophobicContact CB-CZ 4.45Å; L2448-F2759 HydrophobicContact CD1-CD2 4.08Å; L2448-F2759 HydrophobicContact CD1-CE1 4.45Å; L2448-F2759 HydrophobicContact CD1-CE2 3.34Å; L2448-F2759 HydrophobicContact CD1-CZ 3.56Å; L2448-F2759 HydrophobicContact CG-CD2 4.3Å; L2448-F2759 HydrophobicContact CG-CE2 4.03Å; L2448-F2759 WeakPolarHBondContact O-CA 3.02Å; L2448-F2759 PolarHBondContact O-N 3.1Å; S2449-F2759 VanDerWaalsContact OG-CE2 3.26Å; S2449-F2759 WeakPolarHBondContact OG-CE2 3.42Å; A2755-F2759 PolarHBondContact O-N 3.2Å; A2755-F2759 VanDerWaalsContact O-N 3.15Å; V2756-F2759 PolarHBondContact O-N 3.4Å; F2759-V2761 VanDerWaalsContact C-N 3.3Å; F2759-V2761 HydrophobicContact CD1-CB 3.76Å; F2759-V2761 HydrophobicContact CD1-CG2 3.91Å; F2759-V2761 HydrophobicContact CE1-CB 3.71Å; F2759-V2761 HydrophobicContact CE1-CG1 4.4Å; F2759-V2761 HydrophobicContact CE1-CG2 3.61Å; F2759-V2761 VanDerWaalsContact CE1-CG2 3.47Å; F2759-V2761 HydrophobicContact CZ-CB 4.31Å; F2759-V2761 HydrophobicContact CZ-CG2 4.23Å; F2759-V2761 PolarHBondContact O-N 3.18Å; F2759-V2761 VanDerWaalsContact O-N 3.15Å; F2759-V2763 HydrophobicContact CD1-CG2 4.39Å; F2759-V2763 HydrophobicContact CE1-CG2 4.31Å; F2759-K2801 VanDerWaalsContact O-CE 3.27Å; F2759-K2801 WeakPolarHBondContact O-CE 3.4Å; F2759-K2801 PolarHBondContact O-NZ 3.13Å | ||
| 2760 | P | 62.6 | Low | 66.8 | Low | 61.25 Ų | 61.25 | 54.7 Ų | 54.7 | 40% | 0.398 | 32% | 0.321 | S | S | . | . | trans | -88.9 | 32.6 | -173.4 | 36.2 | -36.5 | 0 | 0 | 0 | 113.6 | L2448 S2449 G2686 S2758 | L2448-P2760 HydrophobicContact CD2-CG 3.61Å; S2449-P2760 WeakPolarHBondContact O-CD 3.4Å; S2449-P2760 WeakPolarHBondContact O-CG 3.34Å; G2686-P2760 PolarHBondContact N-O 3.13Å; S2758-P2760 WeakPolarHBondContact O-CD 3.29Å | ||
| 2761 | V | 71.6 | Confident | 68.8 | Low | 7.5 Ų | 7.5 | 50.5 Ų | 50.5 | 5% | 0.045 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.4 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | Y2659 G2686 F2688 F2759 V2763 | Y2659-V2761 HydrophobicContact CD2-CG1 4.34Å; Y2659-V2761 HydrophobicContact CE2-CG1 4.16Å; Y2659-V2761 HydrophobicContact CE2-CG2 4.18Å; G2686-V2761 CarbonylContact O-C 3.53Å; G2686-V2761 VanDerWaalsContact O-CA 3.32Å; G2686-V2761 WeakPolarHBondContact O-CA 3.38Å; F2688-V2761 HydrophobicContact CB-CG1 3.75Å; F2759-V2761 VanDerWaalsContact C-N 3.3Å; F2759-V2761 HydrophobicContact CD1-CB 3.76Å; F2759-V2761 HydrophobicContact CD1-CG2 3.91Å; F2759-V2761 HydrophobicContact CE1-CB 3.71Å; F2759-V2761 HydrophobicContact CE1-CG1 4.4Å; F2759-V2761 HydrophobicContact CE1-CG2 3.61Å; F2759-V2761 VanDerWaalsContact CE1-CG2 3.47Å; F2759-V2761 HydrophobicContact CZ-CB 4.31Å; F2759-V2761 HydrophobicContact CZ-CG2 4.23Å; F2759-V2761 PolarHBondContact O-N 3.18Å; F2759-V2761 VanDerWaalsContact O-N 3.15Å; V2761-V2763 HydrophobicContact CG1-CG2 4.34Å; V2761-V2763 PolarHBondContact O-N 3.46Å |
| 2762 | D | 78.4 | Confident | 70.8 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.8 | 168.8 | -70.9 | -19.2 | 0 | 0 | 0 | 107.8 | K2685 G2686 E2687 F2688 F2764 Y2799 G2800 K2801 | K2685-D2762 WeakPolarHBondContact CE-OD2 3.28Å; K2685-D2762 IonicContact NZ-OD2 3.61Å; K2685-D2762 PolarHBondContact NZ-OD2 3.05Å; G2686-D2762 PolarHBondContact O-N 3.1Å; E2687-D2762 CarbonylContact C-O 3.52Å; E2687-D2762 WeakPolarHBondContact CA-O 3.13Å; F2688-D2762 PolarHBondContact N-O 3.15Å; D2762-F2764 HydrophobicContact CB-CE2 3.91Å; D2762-F2764 HydrophobicContact CB-CZ 4.39Å; D2762-Y2799 CarbonylContact C-O 3.5Å; D2762-Y2799 VanDerWaalsContact CA-O 3.3Å; D2762-Y2799 WeakPolarHBondContact CA-O 3.39Å; D2762-G2800 VanDerWaalsContact OD1-CA 3.28Å; D2762-G2800 WeakPolarHBondContact OD1-CA 3.34Å; D2762-K2801 PolarHBondContact OD1-N 2.87Å |
| 2763 | V | 83.8 | Confident | 72.8 | Confident | 33.75 Ų | 33.75 | 47.5 Ų | 47.5 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.5 | -171.4 | 169.9 | 0 | 0 | 0 | 0 | 110 | F2688 F2759 V2761 V2765 F2797 T2798 Y2799 | F2688-V2763 HydrophobicContact CB-CG2 4.37Å; F2688-V2763 HydrophobicContact CD1-CG1 4.21Å; F2688-V2763 HydrophobicContact CD1-CG2 4.43Å; F2688-V2763 CarbonylContact O-C 3.54Å; F2688-V2763 WeakPolarHBondContact O-CA 3.4Å; F2759-V2763 HydrophobicContact CD1-CG2 4.39Å; F2759-V2763 HydrophobicContact CE1-CG2 4.31Å; V2761-V2763 HydrophobicContact CG1-CG2 4.34Å; V2761-V2763 PolarHBondContact O-N 3.46Å; V2763-V2765 HydrophobicContact CG1-CG2 3.86Å; V2763-F2797 HydrophobicContact CG1-CD1 4.37Å; V2763-F2797 HydrophobicContact CG1-CE1 4.19Å; V2763-T2798 CarbonylContact O-C 3.58Å; V2763-T2798 VanDerWaalsContact O-CA 3.25Å; V2763-T2798 WeakPolarHBondContact O-CA 3.36Å; V2763-Y2799 PolarHBondContact N-O 3.06Å; V2763-Y2799 PolarHBondContact O-N 3.13Å |
| 2764 | F | 89.5 | Confident | 74.7 | Confident | 76.25 Ų | 76.25 | 46 Ų | 46 | 33% | 0.334 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 115.4 | 176.6 | -56.8 | -93.9 | 0 | 0 | 0 | 108.5 | F2688 H2689 M2690 D2762 F2797 T2798 | F2688-F2764 PolarHBondContact O-N 3.12Å; H2689-F2764 CarbonylContact C-O 3.52Å; H2689-F2764 VanDerWaalsContact CA-O 3.27Å; H2689-F2764 WeakPolarHBondContact CA-O 3.29Å; H2689-F2764 AromaticContact CE1-CD2 3.44Å; H2689-F2764 VanDerWaalsContact CE1-CD2 3.49Å; H2689-F2764 WeakPolarHBondContact CE1-CD2 3.4Å; H2689-F2764 AromaticContact CE1-CE2 3.86Å; H2689-F2764 AromaticContact CE1-CG 3.88Å; H2689-F2764 AromaticContact ND1-CD2 3.68Å; H2689-F2764 AromaticContact ND1-CG 3.78Å; M2690-F2764 PolarHBondContact N-O 3.29Å; D2762-F2764 HydrophobicContact CB-CE2 3.91Å; D2762-F2764 HydrophobicContact CB-CZ 4.39Å; F2764-F2797 CarbonylContact C-O 3.55Å; F2764-F2797 WeakPolarHBondContact CA-O 3.33Å; F2764-T2798 HydrophobicContact CD1-CG2 3.61Å; F2764-T2798 HydrophobicContact CE1-CG2 4.15Å; F2764-T2798 HydrophobicContact CG-CG2 4.49Å |
| 2765 | V | 91.7 | Very high | 76.7 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.8 | 177 | -174.9 | 0 | 0 | 0 | 0 | 109 | M2690 V2763 F2767 M2796 F2797 | M2690-V2765 HydrophobicContact CB-CG1 4.32Å; M2690-V2765 HydrophobicContact CB-CG2 4.31Å; M2690-V2765 HydrophobicContact CE-CB 4.34Å; M2690-V2765 HydrophobicContact CE-CG1 3.42Å; M2690-V2765 HydrophobicContact CE-CG2 3.95Å; M2690-V2765 HydrophobicContact CG-CG1 4.47Å; M2690-V2765 CarbonylContact O-C 3.53Å; M2690-V2765 VanDerWaalsContact O-CA 3.32Å; M2690-V2765 WeakPolarHBondContact O-CA 3.39Å; M2690-V2765 HydrophobicContact SD-CG1 4.42Å; V2763-V2765 HydrophobicContact CG1-CG2 3.86Å; V2765-F2767 HydrophobicContact CB-CE2 4.37Å; V2765-F2767 HydrophobicContact CG1-CD2 3.78Å; V2765-F2767 HydrophobicContact CG1-CE2 3.3Å; V2765-F2767 HydrophobicContact CG1-CZ 4Å; V2765-M2796 CarbonylContact O-C 3.5Å; V2765-M2796 VanDerWaalsContact O-CA 3.29Å; V2765-M2796 WeakPolarHBondContact O-CA 3.38Å; V2765-F2797 HydrophobicContact CB-CB 4.3Å; V2765-F2797 HydrophobicContact CB-CD2 4.38Å; V2765-F2797 HydrophobicContact CG1-CD2 4.46Å; V2765-F2797 HydrophobicContact CG2-CD1 4.38Å; V2765-F2797 PolarHBondContact N-O 3.06Å; V2765-F2797 PolarHBondContact O-N 2.91Å |
| 2766 | F | 93.3 | Very high | 78.8 | Confident | 36.5 Ų | 36.5 | 46 Ų | 46 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.9 | 175.6 | -177.3 | -96.2 | 0 | 0 | 0 | 109.4 | M2690 W2691 I2692 Q2794 L2795 M2796 | M2690-F2766 PolarHBondContact O-N 2.91Å; W2691-F2766 CarbonylContact C-O 3.52Å; W2691-F2766 VanDerWaalsContact CA-O 3.3Å; W2691-F2766 WeakPolarHBondContact CA-O 3.37Å; W2691-F2766 HydrophobicContact CD2-CB 4.41Å; W2691-F2766 AromaticContact CD2-CD1 3.47Å; W2691-F2766 HydrophobicContact CD2-CD1 3.47Å; W2691-F2766 VanDerWaalsContact CD2-CD1 3.41Å; W2691-F2766 HydrophobicContact CD2-CE1 4.07Å; W2691-F2766 HydrophobicContact CD2-CG 4.31Å; W2691-F2766 AromaticContact CE2-CD1 3.54Å; W2691-F2766 VanDerWaalsContact CE2-CD1 3.47Å; W2691-F2766 AromaticContact CE2-CE1 3.66Å; W2691-F2766 HydrophobicContact CE3-CB 4.19Å; W2691-F2766 AromaticContact CE3-CD1 3.47Å; W2691-F2766 HydrophobicContact CE3-CD1 3.47Å; W2691-F2766 VanDerWaalsContact CE3-CD1 3.45Å; W2691-F2766 HydrophobicContact CE3-CE1 4.09Å; W2691-F2766 AromaticContact CE3-CG 3.9Å; W2691-F2766 HydrophobicContact CE3-CG 4.03Å; W2691-F2766 HydrophobicContact CG-CD1 4.19Å; W2691-F2766 AromaticContact CH2-CD1 3.67Å; W2691-F2766 HydrophobicContact CH2-CD1 3.67Å; W2691-F2766 AromaticContact CH2-CE1 3.37Å; W2691-F2766 HydrophobicContact CH2-CE1 3.37Å; W2691-F2766 VanDerWaalsContact CH2-CE1 3.45Å; W2691-F2766 HydrophobicContact CH2-CG 4.35Å; W2691-F2766 AromaticContact CH2-CZ 3.94Å; W2691-F2766 HydrophobicContact CH2-CZ 4.09Å; W2691-F2766 AromaticContact CZ2-CD1 3.67Å; W2691-F2766 HydrophobicContact CZ2-CD1 3.67Å; W2691-F2766 VanDerWaalsContact CZ2-CD1 3.48Å; W2691-F2766 AromaticContact CZ2-CE1 3.32Å; W2691-F2766 HydrophobicContact CZ2-CE1 3.32Å; W2691-F2766 VanDerWaalsContact CZ2-CE1 3.46Å; W2691-F2766 HydrophobicContact CZ2-CZ 4.26Å; W2691-F2766 HydrophobicContact CZ3-CB 4.43Å; W2691-F2766 AromaticContact CZ3-CD1 3.57Å; W2691-F2766 HydrophobicContact CZ3-CD1 3.57Å; W2691-F2766 VanDerWaalsContact CZ3-CD1 3.49Å; W2691-F2766 AromaticContact CZ3-CE1 3.77Å; W2691-F2766 HydrophobicContact CZ3-CE1 3.77Å; W2691-F2766 AromaticContact CZ3-CG 3.96Å; W2691-F2766 HydrophobicContact CZ3-CG 4.12Å; W2691-F2766 HydrophobicContact CZ3-CZ 4.42Å; I2692-F2766 PolarHBondContact N-O 3.18Å; F2766-Q2794 HydrophobicContact CE2-CB 4.29Å; F2766-Q2794 HydrophobicContact CZ-CB 4.18Å; F2766-Q2794 HydrophobicContact CZ-CG 4.32Å; F2766-L2795 CarbonylContact C-O 3.54Å; F2766-L2795 WeakPolarHBondContact CA-O 3.28Å; F2766-M2796 HydrophobicContact CD2-CB 4.23Å; F2766-M2796 HydrophobicContact CD2-CE 3.95Å; F2766-M2796 HydrophobicContact CD2-CG 4.48Å; F2766-M2796 HydrophobicContact CE2-CE 4.31Å |
| 2767 | F | 92.6 | Very high | 80.6 | Confident | 65.5 Ų | 65.5 | 42.3 Ų | 42.3 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123 | 176.3 | -124 | -95.6 | 0 | 0 | 0 | 108.3 | M2690 I2692 V2765 V2769 L2793 Q2794 L2795 F2797 | M2690-F2767 HydrophobicContact CE-CZ 4.17Å; I2692-F2767 HydrophobicContact CB-CD1 3.75Å; I2692-F2767 HydrophobicContact CB-CD2 3.75Å; I2692-F2767 HydrophobicContact CB-CE1 4.09Å; I2692-F2767 HydrophobicContact CB-CE2 4.41Å; I2692-F2767 HydrophobicContact CB-CG 4.46Å; I2692-F2767 HydrophobicContact CD1-CD1 3.86Å; I2692-F2767 HydrophobicContact CD1-CD2 4.29Å; I2692-F2767 HydrophobicContact CD1-CE1 3.26Å; I2692-F2767 HydrophobicContact CD1-CE2 4.43Å; I2692-F2767 HydrophobicContact CD1-CZ 3.71Å; I2692-F2767 HydrophobicContact CG1-CD1 4.37Å; I2692-F2767 HydrophobicContact CG1-CE1 4.23Å; I2692-F2767 HydrophobicContact CG2-CD1 3.94Å; I2692-F2767 HydrophobicContact CG2-CD2 3.6Å; I2692-F2767 HydrophobicContact CG2-CE1 4.25Å; I2692-F2767 HydrophobicContact CG2-CE2 3.74Å; I2692-F2767 CarbonylContact O-C 3.57Å; I2692-F2767 VanDerWaalsContact O-CA 3.29Å; I2692-F2767 WeakPolarHBondContact O-CA 3.37Å; V2765-F2767 HydrophobicContact CB-CE2 4.37Å; V2765-F2767 HydrophobicContact CG1-CD2 3.78Å; V2765-F2767 HydrophobicContact CG1-CE2 3.3Å; V2765-F2767 HydrophobicContact CG1-CZ 4Å; F2767-V2769 HydrophobicContact CD1-CG2 3.95Å; F2767-V2769 HydrophobicContact CE1-CG2 3.18Å; F2767-V2769 HydrophobicContact CE2-CG2 4.48Å; F2767-V2769 HydrophobicContact CZ-CG2 3.51Å; F2767-V2769 VanDerWaalsContact CZ-CG2 3.46Å; F2767-L2793 HydrophobicContact CD1-CD2 4.38Å; F2767-L2793 HydrophobicContact CD1-CG 4.41Å; F2767-L2793 HydrophobicContact CE1-CD2 4Å; F2767-L2793 HydrophobicContact CE1-CG 4.37Å; F2767-Q2794 CarbonylContact O-C 3.49Å; F2767-Q2794 WeakPolarHBondContact O-CA 3.4Å; F2767-L2795 HydrophobicContact CB-CB 4.18Å; F2767-L2795 HydrophobicContact CD1-CB 4.34Å; F2767-L2795 HydrophobicContact CD1-CD2 4.39Å; F2767-L2795 HydrophobicContact CD2-CD2 4.26Å; F2767-L2795 HydrophobicContact CD2-CG 4.42Å; F2767-L2795 PolarHBondContact N-O 3.05Å; F2767-L2795 PolarHBondContact O-N 3Å; F2767-F2797 HydrophobicContact CD2-CD2 4.14Å; F2767-F2797 HydrophobicContact CD2-CE2 4Å; F2767-F2797 HydrophobicContact CE2-CD2 4.13Å; F2767-F2797 HydrophobicContact CE2-CE2 4.01Å |
| 2768 | S | 92.1 | Very high | 82.3 | Confident | 16.25 Ų | 16.25 | 39.4 Ų | 39.4 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.2 | 173.8 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | I2692 S2693 L2694 L2793 | I2692-S2768 PolarHBondContact O-N 2.89Å; S2693-S2768 CarbonylContact C-O 3.53Å; S2693-S2768 VanDerWaalsContact CA-O 3.27Å; S2693-S2768 WeakPolarHBondContact CA-O 3.32Å; L2694-S2768 PolarHBondContact N-O 3.23Å; S2768-L2793 CarbonylContact C-O 3.56Å; S2768-L2793 VanDerWaalsContact CA-O 3.3Å; S2768-L2793 WeakPolarHBondContact CA-O 3.39Å |
| 2769 | V | 90.3 | Very high | 83.8 | Confident | 26.5 Ų | 26.5 | 38.7 Ų | 38.7 | 16% | 0.161 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | L2694 F2767 E2792 L2793 | L2694-V2769 HydrophobicContact CB-CB 4.29Å; L2694-V2769 HydrophobicContact CB-CG1 4.21Å; L2694-V2769 HydrophobicContact CB-CG2 3.92Å; L2694-V2769 HydrophobicContact CD2-CG1 3.99Å; L2694-V2769 HydrophobicContact CD2-CG2 4.31Å; F2767-V2769 HydrophobicContact CD1-CG2 3.95Å; F2767-V2769 HydrophobicContact CE1-CG2 3.18Å; F2767-V2769 HydrophobicContact CE2-CG2 4.48Å; F2767-V2769 HydrophobicContact CZ-CG2 3.51Å; F2767-V2769 VanDerWaalsContact CZ-CG2 3.46Å; V2769-E2792 CarbonylContact O-C 3.54Å; V2769-E2792 VanDerWaalsContact O-CA 3.28Å; V2769-E2792 WeakPolarHBondContact O-CA 3.33Å; V2769-E2792 WeakPolarHBondContact O-CG 3.28Å; V2769-L2793 HydrophobicContact CB-CB 4.12Å; V2769-L2793 HydrophobicContact CB-CD2 4.3Å; V2769-L2793 HydrophobicContact CB-CG 4.36Å; V2769-L2793 HydrophobicContact CG2-CD2 4.12Å; V2769-L2793 HydrophobicContact CG2-CG 4.38Å; V2769-L2793 PolarHBondContact N-O 3.1Å; V2769-L2793 PolarHBondContact O-N 3.28Å |
| 2770 | Q | 89.1 | Confident | 84.6 | Confident | 88.5 Ų | 88.5 | 39.5 Ų | 39.5 | 41% | 0.414 | 22% | 0.216 | S | C | . | . | trans | -70.6 | 150.2 | 175.9 | -67.9 | -179.3 | -10.4 | 0 | 0 | 111.3 | L2694 S2696 S2772 | L2694-Q2770 PolarHBondContact O-N 3.09Å; S2696-Q2770 VanDerWaalsContact N-OE1 3.07Å; Q2770-S2772 PolarHBondContact O-N 3.03Å; Q2770-S2772 PolarHBondContact O-OG 3.05Å | ||
| 2771 | A | 86.4 | Confident | 85.2 | Confident | 36.5 Ų | 36.5 | 42.1 Ų | 42.1 | 30% | 0.302 | 22% | 0.218 | S | C | . | . | trans | -56.2 | 130.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S2696 L2790 E2792 | S2696-A2771 VanDerWaalsContact CB-O 3.22Å; S2696-A2771 WeakPolarHBondContact CB-O 3.43Å; A2771-L2790 CarbonylContact C-O 3.6Å; A2771-L2790 WeakPolarHBondContact CA-O 3.22Å; A2771-L2790 WeakPolarHBondContact CB-O 3.4Å; A2771-E2792 HydrophobicContact CB-CB 4.26Å | ||
| 2772 | S | 84.9 | Confident | 85.5 | Confident | 9.25 Ų | 9.25 | 42.9 Ų | 42.9 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.7 | -174 | -71.6 | 0 | 0 | 0 | 0 | 111.1 | S2696 M2697 Q2770 K2789 L2790 | S2696-S2772 WeakPolarHBondContact CA-OG 3.34Å; M2697-S2772 PolarHBondContact N-OG 3.16Å; M2697-S2772 VanDerWaalsContact N-OG 3.13Å; Q2770-S2772 PolarHBondContact O-N 3.03Å; Q2770-S2772 PolarHBondContact O-OG 3.05Å; S2772-K2789 CarbonylContact O-C 3.6Å; S2772-K2789 WeakPolarHBondContact O-CA 3.28Å; S2772-L2790 PolarHBondContact N-O 2.94Å; S2772-L2790 WeakPolarHBondContact O-CB 3.32Å; S2772-L2790 PolarHBondContact O-N 2.95Å |
| 2773 | C | 85.8 | Confident | 85.7 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.8 | -177.6 | -62.9 | 0 | 0 | 0 | 0 | 111 | T2701 Y2787 | T2701-C2773 PolarHBondContact N-O 2.92Å; T2701-C2773 VanDerWaalsContact N-O 3.13Å; T2701-C2773 PolarHBondContact OG1-O 3.16Å; C2773-Y2787 HydrophobicContact CB-CE1 4.35Å; C2773-Y2787 HydrophobicContact CB-CE2 4.26Å; C2773-Y2787 VanDerWaalsContact CB-OH 3.28Å; C2773-Y2787 WeakPolarHBondContact CB-OH 3.37Å; C2773-Y2787 PolarHBondContact SG-OH 3.02Å |
| 2774 | I | 87.1 | Confident | 85.7 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.2 | 179.2 | -54.6 | -172.5 | 0 | 0 | 0 | 108.8 | T2701 L2703 F2776 L2788 L2790 | T2701-I2774 WeakPolarHBondContact O-CA 3.21Å; T2701-I2774 WeakPolarHBondContact OG1-CG1 3.3Å; L2703-I2774 HydrophobicContact CD1-CG2 3.57Å; L2703-I2774 VanDerWaalsContact CD1-CG2 3.45Å; L2703-I2774 HydrophobicContact CG-CG2 3.84Å; I2774-F2776 HydrophobicContact CB-CE2 4.23Å; I2774-F2776 HydrophobicContact CG2-CD2 4.17Å; I2774-F2776 HydrophobicContact CG2-CE1 4.46Å; I2774-F2776 HydrophobicContact CG2-CE2 3.71Å; I2774-F2776 HydrophobicContact CG2-CZ 3.9Å; I2774-L2788 HydrophobicContact CB-CB 4.46Å; I2774-L2788 PolarHBondContact N-O 2.88Å; I2774-L2788 WeakPolarHBondContact O-CA 3.45Å; I2774-L2788 WeakPolarHBondContact O-CB 3.25Å; I2774-L2788 PolarHBondContact O-N 3.13Å; I2774-L2790 HydrophobicContact CD1-CD1 3.54Å; I2774-L2790 VanDerWaalsContact CD1-CD1 3.41Å; I2774-L2790 HydrophobicContact CD1-CG 4.16Å; I2774-L2790 HydrophobicContact CG1-CD1 4.13Å; I2774-L2790 HydrophobicContact CG1-CG 4.34Å |
| 2775 | R | 88.4 | Confident | 85.5 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.4 | 176 | -178.6 | 158.2 | 55.7 | 100.3 | 4.4 | 110.7 | E2700 T2701 V2702 L2703 T2777 E2785 C2786 Y2787 | E2700-R2775 VanDerWaalsContact CD-NE 3.27Å; E2700-R2775 HydrophobicContact CG-CB 4.23Å; E2700-R2775 VanDerWaalsContact OE1-CB 3.25Å; E2700-R2775 WeakPolarHBondContact OE1-CB 3.38Å; E2700-R2775 WeakPolarHBondContact OE1-CD 3.42Å; E2700-R2775 IonicContact OE1-CZ 3.43Å; E2700-R2775 IonicContact OE1-NE 3.44Å; E2700-R2775 PolarHBondContact OE1-NE 2.81Å; E2700-R2775 IonicContact OE1-NH2 3.28Å; E2700-R2775 IonicContact OE2-CZ 3.45Å; E2700-R2775 VanDerWaalsContact OE2-CZ 3.3Å; E2700-R2775 IonicContact OE2-NE 3.05Å; E2700-R2775 PolarHBondContact OE2-NE 3.01Å; E2700-R2775 VanDerWaalsContact OE2-NE 3.13Å; E2700-R2775 IonicContact OE2-NH2 3.51Å; E2700-R2775 PolarHBondContact OE2-NH2 2.95Å; T2701-R2775 PolarHBondContact O-N 3Å; V2702-R2775 CarbonylContact C-O 3.54Å; V2702-R2775 VanDerWaalsContact CA-O 3.32Å; V2702-R2775 WeakPolarHBondContact CA-O 3.31Å; L2703-R2775 PolarHBondContact N-O 3.24Å; R2775-T2777 PolarHBondContact O-N 2.98Å; R2775-E2785 WeakPolarHBondContact CD-OE2 3.15Å; R2775-E2785 IonicContact CZ-OE2 3.14Å; R2775-E2785 IonicContact NE-OE2 2.66Å; R2775-E2785 IonicContact NH1-OE1 2.98Å; R2775-E2785 IonicContact NH1-OE2 3.31Å; R2775-E2785 PolarHBondContact NH1-OE2 2.94Å; R2775-C2786 CarbonylContact C-O 3.53Å; R2775-C2786 WeakPolarHBondContact CA-O 3.35Å; R2775-Y2787 HydrophobicContact CB-CD2 4.35Å |
| 2776 | F | 88.2 | Confident | 85.2 | Confident | 39.25 Ų | 39.25 | 39.1 Ų | 39.1 | 17% | 0.172 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114.9 | 174.3 | -60.5 | -96.3 | 0 | 0 | 0 | 109.6 | L2703 I2774 E2785 C2786 L2788 F2935 W2939 | L2703-F2776 HydrophobicContact CB-CD1 4.1Å; L2703-F2776 HydrophobicContact CB-CE1 4.4Å; L2703-F2776 HydrophobicContact CD1-CD1 4.09Å; L2703-F2776 HydrophobicContact CD1-CE1 3.58Å; L2703-F2776 HydrophobicContact CD1-CZ 4.02Å; I2774-F2776 HydrophobicContact CB-CE2 4.23Å; I2774-F2776 HydrophobicContact CG2-CD2 4.17Å; I2774-F2776 HydrophobicContact CG2-CE1 4.46Å; I2774-F2776 HydrophobicContact CG2-CE2 3.71Å; I2774-F2776 HydrophobicContact CG2-CZ 3.9Å; F2776-E2785 WeakPolarHBondContact O-CA 3.36Å; F2776-C2786 HydrophobicContact CB-CB 4.22Å; F2776-C2786 PolarHBondContact N-O 3.11Å; F2776-C2786 PolarHBondContact O-N 2.87Å; F2776-L2788 HydrophobicContact CD2-CB 4.34Å; F2776-L2788 HydrophobicContact CE2-CB 3.87Å; F2776-L2788 HydrophobicContact CE2-CD2 3.78Å; F2776-L2788 HydrophobicContact CE2-CG 4.45Å; F2776-L2788 HydrophobicContact CZ-CD2 4.3Å; F2776-F2935 HydrophobicContact CB-CE2 3.62Å; F2776-F2935 HydrophobicContact CB-CZ 3.7Å; F2776-F2935 HydrophobicContact CD2-CZ 4.47Å; F2776-F2935 HydrophobicContact CG-CE2 4.48Å; F2776-F2935 HydrophobicContact CG-CZ 4.1Å; F2776-W2939 HydrophobicContact CB-CZ2 4.02Å; F2776-W2939 HydrophobicContact CD1-CD2 4.11Å; F2776-W2939 AromaticContact CD1-CE2 3.84Å; F2776-W2939 HydrophobicContact CD1-CE3 4.14Å; F2776-W2939 AromaticContact CD1-CH2 3.77Å; F2776-W2939 HydrophobicContact CD1-CH2 3.77Å; F2776-W2939 AromaticContact CD1-CZ2 3.68Å; F2776-W2939 HydrophobicContact CD1-CZ2 3.68Å; F2776-W2939 AromaticContact CD1-CZ3 3.92Å; F2776-W2939 HydrophobicContact CD1-CZ3 3.98Å; F2776-W2939 HydrophobicContact CE1-CE3 4.49Å; F2776-W2939 HydrophobicContact CE1-CH2 4.33Å; F2776-W2939 HydrophobicContact CE1-CZ3 4.32Å; F2776-W2939 HydrophobicContact CG-CZ2 4.35Å |
| 2777 | T | 86.9 | Confident | 85 | Confident | 13.25 Ų | 13.25 | 38.8 Ų | 38.8 | 8% | 0.081 | 20% | 0.203 | C | C | . | . | trans | -85.3 | 153.5 | 168.8 | 63.8 | 0 | 0 | 0 | 0 | 109.7 | V2702 L2703 S2704 P2705 R2775 E2785 W2939 | V2702-T2777 HydrophobicContact CG1-CG2 3.59Å; L2703-T2777 PolarHBondContact O-N 2.97Å; L2703-T2777 PolarHBondContact O-OG1 2.99Å; S2704-T2777 WeakPolarHBondContact CA-OG1 3.37Å; P2705-T2777 VanDerWaalsContact CD-O 3.29Å; P2705-T2777 WeakPolarHBondContact CD-O 3.35Å; R2775-T2777 PolarHBondContact O-N 2.98Å; T2777-E2785 HydrophobicContact CG2-CG 4.45Å; T2777-W2939 WeakPolarHBondContact O-CZ2 3.4Å; T2777-W2939 PolarHBondContact O-NE1 3.04Å | ||
| 2778 | S | 83.7 | Confident | 84.8 | Confident | 0.25 Ų | 0.25 | 36.8 Ų | 36.8 | 0% | 0.002 | 20% | 0.195 | C | C | . | . | trans | -115.5 | 12.5 | 173.9 | 42.9 | 0 | 0 | 0 | 0 | 113 | Y2781 S2782 V2784 | S2778-Y2781 CarbonylContact O-C 3.52Å; S2778-Y2781 WeakPolarHBondContact O-CA 3.32Å; S2778-Y2781 WeakPolarHBondContact O-CB 3.36Å; S2778-Y2781 PolarHBondContact O-N 3.02Å; S2778-S2782 CarbonylContact C-O 3.53Å; S2778-S2782 VanDerWaalsContact C-O 3.32Å; S2778-S2782 WeakPolarHBondContact CB-O 3.47Å; S2778-S2782 PolarHBondContact O-N 3.07Å; S2778-S2782 VanDerWaalsContact OG-C 3.27Å; S2778-S2782 VanDerWaalsContact OG-CB 3.31Å; S2778-S2782 WeakPolarHBondContact OG-CB 3.31Å; S2778-S2782 PolarHBondContact OG-O 3Å; S2778-S2782 VanDerWaalsContact OG-O 3.12Å; S2778-V2784 WeakPolarHBondContact CB-O 3.29Å; S2778-V2784 PolarHBondContact N-O 2.81Å; S2778-V2784 PolarHBondContact OG-N 3.2Å; S2778-V2784 PolarHBondContact OG-O 2.94Å | ||
| 2779 | L | 79.4 | Confident | 84.6 | Confident | 52 Ų | 52 | 39 Ų | 39 | 27% | 0.272 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 142.5 | 179.5 | -64.3 | 165.2 | 0 | 0 | 0 | 110.3 | P2705 Y2781 M2783 | P2705-L2779 WeakPolarHBondContact CD-O 3.41Å; L2779-Y2781 VanDerWaalsContact C-N 3.34Å; L2779-M2783 HydrophobicContact CD2-SD 3.65Å; L2779-M2783 VanDerWaalsContact CD2-SD 3.56Å |
| 2780 | P | 70.9 | Confident | 84.2 | Confident | 106.25 Ų | 106.25 | 40.4 Ų | 40.4 | 69% | 0.69 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.4 | 2.5 | -1.3 | 35.2 | -35.6 | 0 | 0 | 0 | 114.5 | F2635 | F2635-P2780 HydrophobicContact CD2-CB 4.35Š|
| 2781 | Y | 74.9 | Confident | 83.8 | Confident | 115.25 Ų | 115.25 | 37.1 Ų | 37.1 | 45% | 0.452 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -36.6 | -172.6 | -61.1 | -86.3 | 0 | 0 | 0 | 114.6 | F2632 P2705 S2778 L2779 R2941 | F2632-Y2781 HydrophobicContact CE1-CE1 4.11Å; F2632-Y2781 WeakPolarHBondContact CE1-OH 3.35Å; F2632-Y2781 WeakPolarHBondContact CZ-OH 3.37Å; P2705-Y2781 HydrophobicContact CB-CD2 4.13Å; P2705-Y2781 HydrophobicContact CB-CE2 3.98Å; P2705-Y2781 HydrophobicContact CG-CD2 4.17Å; P2705-Y2781 HydrophobicContact CG-CE2 4.35Å; S2778-Y2781 CarbonylContact O-C 3.52Å; S2778-Y2781 WeakPolarHBondContact O-CA 3.32Å; S2778-Y2781 WeakPolarHBondContact O-CB 3.36Å; S2778-Y2781 PolarHBondContact O-N 3.02Å; L2779-Y2781 VanDerWaalsContact C-N 3.34Å; Y2781-R2941 PolarHBondContact OH-NH2 3.16Å; Y2781-R2941 VanDerWaalsContact OH-NH2 3.12Å |
| 2782 | S | 79 | Confident | 83.9 | Confident | 25.25 Ų | 25.25 | 38.4 Ų | 38.4 | 18% | 0.177 | 20% | 0.195 | C | C | . | . | trans | -148.2 | 160.5 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | S2778 V2784 S2934 | S2778-S2782 CarbonylContact C-O 3.53Å; S2778-S2782 VanDerWaalsContact C-O 3.32Å; S2778-S2782 WeakPolarHBondContact CB-O 3.47Å; S2778-S2782 PolarHBondContact O-N 3.07Å; S2778-S2782 VanDerWaalsContact OG-C 3.27Å; S2778-S2782 VanDerWaalsContact OG-CB 3.31Å; S2778-S2782 WeakPolarHBondContact OG-CB 3.31Å; S2778-S2782 PolarHBondContact OG-O 3Å; S2778-S2782 VanDerWaalsContact OG-O 3.12Å; S2782-V2784 VanDerWaalsContact C-N 3.31Å; S2782-V2784 PolarHBondContact O-N 2.79Å; S2782-V2784 PolarHBondContact OG-N 2.99Å; S2782-S2934 PolarHBondContact OG-OG 3.16Å; S2782-S2934 VanDerWaalsContact OG-OG 3.13Å | ||
| 2783 | M | 81.2 | Confident | 84.1 | Confident | 55.75 Ų | 55.75 | 40.1 Ų | 40.1 | 28% | 0.275 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -95.9 | 13.8 | 177.1 | -64.7 | -65 | -77.2 | 0 | 0 | 112.4 | L2779 R2850 Y2851 | L2779-M2783 HydrophobicContact CD2-SD 3.65Å; L2779-M2783 VanDerWaalsContact CD2-SD 3.56Å; M2783-R2850 HydrophobicContact CE-CB 4.43Å; M2783-R2850 WeakPolarHBondContact O-CB 3.4Å; M2783-R2850 PolarHBondContact O-N 3.18Å; M2783-Y2851 HydrophobicContact CE-CD2 4.36Å; M2783-Y2851 HydrophobicContact CE-CE1 4.37Å; M2783-Y2851 HydrophobicContact CE-CE2 3.52Å; M2783-Y2851 VanDerWaalsContact CE-CE2 3.45Å; M2783-Y2851 WeakPolarHBondContact CE-OH 3.32Å |
| 2784 | V | 83.7 | Confident | 84.3 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128 | 179 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | S2778 S2782 I2847 F2848 E2931 S2934 F2935 | S2778-V2784 WeakPolarHBondContact CB-O 3.29Å; S2778-V2784 PolarHBondContact N-O 2.81Å; S2778-V2784 PolarHBondContact OG-N 3.2Å; S2778-V2784 PolarHBondContact OG-O 2.94Å; S2782-V2784 VanDerWaalsContact C-N 3.31Å; S2782-V2784 PolarHBondContact O-N 2.79Å; S2782-V2784 PolarHBondContact OG-N 2.99Å; V2784-I2847 HydrophobicContact CG1-CG2 3.29Å; V2784-F2848 WeakPolarHBondContact CA-O 3.18Å; V2784-E2931 HydrophobicContact CG2-CB 4.17Å; V2784-S2934 WeakPolarHBondContact CG2-OG 3.42Å; V2784-F2935 HydrophobicContact CG1-CB 4.07Å |
| 2785 | E | 85.5 | Confident | 84.5 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.2 | 174 | -65.4 | -173.6 | -170.1 | 0 | 0 | 109.1 | R2775 F2776 T2777 I2847 F2848 R2850 | R2775-E2785 WeakPolarHBondContact CD-OE2 3.15Å; R2775-E2785 IonicContact CZ-OE2 3.14Å; R2775-E2785 IonicContact NE-OE2 2.66Å; R2775-E2785 IonicContact NH1-OE1 2.98Å; R2775-E2785 IonicContact NH1-OE2 3.31Å; R2775-E2785 PolarHBondContact NH1-OE2 2.94Å; F2776-E2785 WeakPolarHBondContact O-CA 3.36Å; T2777-E2785 HydrophobicContact CG2-CG 4.45Å; E2785-I2847 WeakPolarHBondContact O-CA 3.42Å; E2785-F2848 HydrophobicContact CB-CD2 4.46Å; E2785-F2848 HydrophobicContact CB-CE1 3.98Å; E2785-F2848 HydrophobicContact CB-CE2 3.87Å; E2785-F2848 HydrophobicContact CB-CZ 3.56Å; E2785-F2848 HydrophobicContact CG-CZ 4.5Å; E2785-F2848 PolarHBondContact N-O 3Å; E2785-F2848 WeakPolarHBondContact O-CD1 3.26Å; E2785-F2848 PolarHBondContact O-N 3.25Å; E2785-R2850 VanDerWaalsContact OE1-CD 3.3Å; E2785-R2850 WeakPolarHBondContact OE1-CD 3.44Å; E2785-R2850 WeakPolarHBondContact OE1-CG 3.39Å; E2785-R2850 IonicContact OE1-CZ 3.43Å; E2785-R2850 VanDerWaalsContact OE1-CZ 3.26Å; E2785-R2850 IonicContact OE1-NE 3.55Å; E2785-R2850 PolarHBondContact OE1-NE 3.2Å; E2785-R2850 IonicContact OE1-NH2 2.75Å; E2785-R2850 PolarHBondContact OE1-NH2 3.33Å |
| 2786 | C | 86.7 | Confident | 84.6 | Confident | 1.5 Ų | 1.5 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.1 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | R2775 F2776 L2845 Y2846 I2847 F2935 | R2775-C2786 CarbonylContact C-O 3.53Å; R2775-C2786 WeakPolarHBondContact CA-O 3.35Å; F2776-C2786 HydrophobicContact CB-CB 4.22Å; F2776-C2786 PolarHBondContact N-O 3.11Å; F2776-C2786 PolarHBondContact O-N 2.87Å; C2786-L2845 WeakPolarHBondContact SG-CD1 2.9Å; C2786-Y2846 CarbonylContact C-O 3.56Å; C2786-Y2846 VanDerWaalsContact CA-O 3.24Å; C2786-Y2846 WeakPolarHBondContact CA-O 3.23Å; C2786-Y2846 PolarHBondContact SG-O 2.97Å; C2786-I2847 HydrophobicContact CB-CG1 4.34Å; C2786-F2935 HydrophobicContact CB-CD1 4.2Å; C2786-F2935 HydrophobicContact CB-CD2 3.73Å; C2786-F2935 HydrophobicContact CB-CE1 3.78Å; C2786-F2935 HydrophobicContact CB-CE2 3.26Å; C2786-F2935 HydrophobicContact CB-CG 4.19Å; C2786-F2935 HydrophobicContact CB-CZ 3.3Å |
| 2787 | Y | 88.2 | Confident | 84.6 | Confident | 30.5 Ų | 30.5 | 44.8 Ų | 44.8 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.9 | 172.8 | -174.2 | -90.5 | 0 | 0 | 0 | 108.7 | E2700 C2773 R2775 K2789 L2845 Y2846 M2861 | E2700-Y2787 VanDerWaalsContact OE1-CD2 3.27Å; E2700-Y2787 WeakPolarHBondContact OE1-CD2 3.27Å; E2700-Y2787 WeakPolarHBondContact OE1-CE2 3.39Å; E2700-Y2787 PolarHBondContact OE1-OH 3.04Å; C2773-Y2787 HydrophobicContact CB-CE1 4.35Å; C2773-Y2787 HydrophobicContact CB-CE2 4.26Å; C2773-Y2787 VanDerWaalsContact CB-OH 3.28Å; C2773-Y2787 WeakPolarHBondContact CB-OH 3.37Å; C2773-Y2787 PolarHBondContact SG-OH 3.02Å; R2775-Y2787 HydrophobicContact CB-CD2 4.35Å; Y2787-K2789 HydrophobicContact CE1-CB 4.45Å; Y2787-L2845 WeakPolarHBondContact O-CA 3.36Å; Y2787-Y2846 AromaticContact CD1-CD2 3.8Å; Y2787-Y2846 HydrophobicContact CD1-CD2 3.8Å; Y2787-Y2846 HydrophobicContact CD1-CE2 4.21Å; Y2787-Y2846 PolarHBondContact N-O 2.89Å; Y2787-Y2846 PolarHBondContact O-N 2.96Å; Y2787-M2861 HydrophobicContact CD1-CE 4.11Å; Y2787-M2861 HydrophobicContact CE1-CE 3.65Å; Y2787-M2861 VanDerWaalsContact CE1-CE 3.46Å; Y2787-M2861 HydrophobicContact CE2-CE 4.22Å |
| 2788 | L | 88 | Confident | 84.6 | Confident | 23.5 Ų | 23.5 | 45.7 Ų | 45.7 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 109.6 | 177.9 | 179.9 | 63.6 | 0 | 0 | 0 | 108.8 | I2774 F2776 L2790 F2843 L2845 | I2774-L2788 HydrophobicContact CB-CB 4.46Å; I2774-L2788 PolarHBondContact N-O 2.88Å; I2774-L2788 WeakPolarHBondContact O-CA 3.45Å; I2774-L2788 WeakPolarHBondContact O-CB 3.25Å; I2774-L2788 PolarHBondContact O-N 3.13Å; F2776-L2788 HydrophobicContact CD2-CB 4.34Å; F2776-L2788 HydrophobicContact CE2-CB 3.87Å; F2776-L2788 HydrophobicContact CE2-CD2 3.78Å; F2776-L2788 HydrophobicContact CE2-CG 4.45Å; F2776-L2788 HydrophobicContact CZ-CD2 4.3Å; L2788-L2790 HydrophobicContact CD2-CD1 4.18Å; L2788-L2790 HydrophobicContact CD2-CD2 3.7Å; L2788-L2790 HydrophobicContact CD2-CG 4.27Å; L2788-L2790 HydrophobicContact CG-CD2 4.07Å; L2788-L2790 HydrophobicContact CG-CG 4.28Å; L2788-L2790 PolarHBondContact O-N 3.12Å; L2788-F2843 HydrophobicContact CD1-CD2 4.32Å; L2788-F2843 HydrophobicContact CD1-CE1 4.46Å; L2788-F2843 HydrophobicContact CD1-CE2 3.58Å; L2788-F2843 HydrophobicContact CD1-CZ 3.84Å; L2788-F2843 VanDerWaalsContact CD1-CZ 3.41Å; L2788-F2843 HydrophobicContact CG-CE2 4.23Å; L2788-L2845 HydrophobicContact CB-CD1 4.33Å; L2788-L2845 HydrophobicContact CD1-CB 4.11Å; L2788-L2845 HydrophobicContact CD1-CD1 4Å; L2788-L2845 HydrophobicContact CD1-CG 4.21Å |
| 2789 | K | 87.4 | Confident | 84.5 | Confident | 60.75 Ų | 60.75 | 47.6 Ų | 47.6 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 103.3 | 160.8 | -173.2 | 177.4 | 177.6 | -176.3 | 0 | 107 | S2772 Y2787 P2791 E2842 S2844 | S2772-K2789 CarbonylContact O-C 3.6Å; S2772-K2789 WeakPolarHBondContact O-CA 3.28Å; Y2787-K2789 HydrophobicContact CE1-CB 4.45Å; K2789-P2791 VanDerWaalsContact O-CD 3.28Å; K2789-P2791 WeakPolarHBondContact O-CD 3.31Å; K2789-E2842 WeakPolarHBondContact CD-O 3.34Å; K2789-E2842 WeakPolarHBondContact CE-OE2 3.44Å; K2789-E2842 IonicContact NZ-OE2 3.11Å; K2789-E2842 PolarHBondContact NZ-OE2 2.96Å; K2789-S2844 WeakPolarHBondContact CB-OG 2.93Å; K2789-S2844 PolarHBondContact N-O 2.97Å; K2789-S2844 PolarHBondContact O-N 3.03Å; K2789-S2844 VanDerWaalsContact O-N 3.16Å |
| 2790 | L | 82.9 | Confident | 84.1 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.2 | 169.4 | -70.4 | 176.2 | 0 | 0 | 0 | 108.5 | A2771 S2772 I2774 L2788 F2843 | A2771-L2790 CarbonylContact C-O 3.6Å; A2771-L2790 WeakPolarHBondContact CA-O 3.22Å; A2771-L2790 WeakPolarHBondContact CB-O 3.4Å; S2772-L2790 PolarHBondContact N-O 2.94Å; S2772-L2790 WeakPolarHBondContact O-CB 3.32Å; S2772-L2790 PolarHBondContact O-N 2.95Å; I2774-L2790 HydrophobicContact CD1-CD1 3.54Å; I2774-L2790 VanDerWaalsContact CD1-CD1 3.41Å; I2774-L2790 HydrophobicContact CD1-CG 4.16Å; I2774-L2790 HydrophobicContact CG1-CD1 4.13Å; I2774-L2790 HydrophobicContact CG1-CG 4.34Å; L2788-L2790 HydrophobicContact CD2-CD1 4.18Å; L2788-L2790 HydrophobicContact CD2-CD2 3.7Å; L2788-L2790 HydrophobicContact CD2-CG 4.27Å; L2788-L2790 HydrophobicContact CG-CD2 4.07Å; L2788-L2790 HydrophobicContact CG-CG 4.28Å; L2788-L2790 PolarHBondContact O-N 3.12Å; L2790-F2843 HydrophobicContact CD2-CD2 4.17Å; L2790-F2843 HydrophobicContact CD2-CE2 4.18Å |
| 2791 | P | 81.4 | Confident | 83.6 | Confident | 18.5 Ų | 18.5 | 42.9 Ų | 42.9 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 159.9 | 176.3 | 33.5 | -34.8 | 0 | 0 | 0 | 109.9 | K2789 L2793 L2840 S2841 E2842 F2843 | K2789-P2791 VanDerWaalsContact O-CD 3.28Å; K2789-P2791 WeakPolarHBondContact O-CD 3.31Å; P2791-L2793 PolarHBondContact O-N 3.03Å; P2791-L2793 VanDerWaalsContact O-N 3.1Å; P2791-L2840 HydrophobicContact CB-CB 4.16Å; P2791-L2840 HydrophobicContact CB-CD2 4.31Å; P2791-L2840 HydrophobicContact CG-CB 4.42Å; P2791-L2840 HydrophobicContact CG-CD2 3.87Å; P2791-S2841 CarbonylContact C-O 3.53Å; P2791-S2841 WeakPolarHBondContact CA-O 3.39Å; P2791-S2841 WeakPolarHBondContact CB-O 3.36Å; P2791-S2841 WeakPolarHBondContact CG-O 3.05Å; P2791-E2842 HydrophobicContact CB-CB 3.87Å; P2791-E2842 HydrophobicContact CG-CB 4.28Å; P2791-E2842 WeakPolarHBondContact CG-O 3.29Å; P2791-F2843 HydrophobicContact CB-CB 4.11Å; P2791-F2843 VanDerWaalsContact CD-CA 3.46Å; P2791-F2843 HydrophobicContact CG-CB 4.36Å; P2791-F2843 HydrophobicContact CG-CD2 4.35Å |
| 2792 | E | 87.2 | Confident | 82.5 | Confident | 64.75 Ų | 64.75 | 39.9 Ų | 39.9 | 30% | 0.303 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 127.2 | 162 | -176.1 | -165 | 174.9 | 0 | 0 | 108.5 | V2769 A2771 Q2794 L2840 S2841 | V2769-E2792 CarbonylContact O-C 3.54Å; V2769-E2792 VanDerWaalsContact O-CA 3.28Å; V2769-E2792 WeakPolarHBondContact O-CA 3.33Å; V2769-E2792 WeakPolarHBondContact O-CG 3.28Å; A2771-E2792 HydrophobicContact CB-CB 4.26Å; E2792-Q2794 HydrophobicContact CG-CG 4.26Å; E2792-Q2794 PolarHBondContact OE1-NE2 3.09Å; E2792-L2840 CarbonylContact O-C 3.58Å; E2792-L2840 VanDerWaalsContact O-CA 3.26Å; E2792-L2840 WeakPolarHBondContact O-CA 3.36Å; E2792-S2841 WeakPolarHBondContact CB-OG 3.42Å; E2792-S2841 PolarHBondContact N-O 3.44Å; E2792-S2841 PolarHBondContact O-N 3.07Å; E2792-S2841 PolarHBondContact O-OG 3.46Å; E2792-S2841 VanDerWaalsContact OE2-CB 3.28Å; E2792-S2841 WeakPolarHBondContact OE2-CB 3.42Å; E2792-S2841 PolarHBondContact OE2-OG 3.31Å |
| 2793 | L | 88.9 | Confident | 80.9 | Confident | 43.75 Ų | 43.75 | 41.2 Ų | 41.2 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.4 | -176.9 | 155.8 | 71.1 | 0 | 0 | 0 | 107.9 | F2767 S2768 V2769 P2791 L2795 L2838 T2839 L2840 | F2767-L2793 HydrophobicContact CD1-CD2 4.38Å; F2767-L2793 HydrophobicContact CD1-CG 4.41Å; F2767-L2793 HydrophobicContact CE1-CD2 4Å; F2767-L2793 HydrophobicContact CE1-CG 4.37Å; S2768-L2793 CarbonylContact C-O 3.56Å; S2768-L2793 VanDerWaalsContact CA-O 3.3Å; S2768-L2793 WeakPolarHBondContact CA-O 3.39Å; V2769-L2793 HydrophobicContact CB-CB 4.12Å; V2769-L2793 HydrophobicContact CB-CD2 4.3Å; V2769-L2793 HydrophobicContact CB-CG 4.36Å; V2769-L2793 HydrophobicContact CG2-CD2 4.12Å; V2769-L2793 HydrophobicContact CG2-CG 4.38Å; V2769-L2793 PolarHBondContact N-O 3.1Å; V2769-L2793 PolarHBondContact O-N 3.28Å; P2791-L2793 PolarHBondContact O-N 3.03Å; P2791-L2793 VanDerWaalsContact O-N 3.1Å; L2793-L2795 HydrophobicContact CD1-CB 4.03Å; L2793-L2838 HydrophobicContact CD1-CD1 3.12Å; L2793-L2838 HydrophobicContact CD1-CG 4.48Å; L2793-L2838 HydrophobicContact CG-CD1 4.48Å; L2793-T2839 WeakPolarHBondContact CA-O 3.41Å; L2793-L2840 HydrophobicContact CB-CD2 3.97Å; L2793-L2840 HydrophobicContact CD1-CD2 3.57Å; L2793-L2840 VanDerWaalsContact CD1-CD2 3.41Å; L2793-L2840 HydrophobicContact CD1-CG 4.22Å; L2793-L2840 HydrophobicContact CG-CD2 4.36Å |
| 2794 | Q | 91.4 | Very high | 79.1 | Confident | 70.25 Ų | 70.25 | 40.2 Ų | 40.2 | 33% | 0.328 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.2 | 169 | -45.7 | 177 | -8.1 | 0 | 0 | 108.6 | F2766 F2767 E2792 L2838 T2839 | F2766-Q2794 HydrophobicContact CE2-CB 4.29Å; F2766-Q2794 HydrophobicContact CZ-CB 4.18Å; F2766-Q2794 HydrophobicContact CZ-CG 4.32Å; F2767-Q2794 CarbonylContact O-C 3.49Å; F2767-Q2794 WeakPolarHBondContact O-CA 3.4Å; E2792-Q2794 HydrophobicContact CG-CG 4.26Å; E2792-Q2794 PolarHBondContact OE1-NE2 3.09Å; Q2794-L2838 CarbonylContact O-C 3.55Å; Q2794-L2838 WeakPolarHBondContact O-CA 3.38Å; Q2794-T2839 VanDerWaalsContact CB-OG1 3.3Å; Q2794-T2839 WeakPolarHBondContact CB-OG1 3.39Å; Q2794-T2839 PolarHBondContact N-O 2.82Å; Q2794-T2839 PolarHBondContact O-N 2.91Å; Q2794-T2839 PolarHBondContact O-OG1 2.97Å; Q2794-T2839 PolarHBondContact OE1-OG1 2.79Å |
| 2795 | L | 90.6 | Very high | 77.1 | Confident | 36.25 Ų | 36.25 | 44.2 Ų | 44.2 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115 | -175 | 171.9 | 66.5 | 0 | 0 | 0 | 109 | F2766 F2767 L2793 F2797 T2836 T2837 L2838 | F2766-L2795 CarbonylContact C-O 3.54Å; F2766-L2795 WeakPolarHBondContact CA-O 3.28Å; F2767-L2795 HydrophobicContact CB-CB 4.18Å; F2767-L2795 HydrophobicContact CD1-CB 4.34Å; F2767-L2795 HydrophobicContact CD1-CD2 4.39Å; F2767-L2795 HydrophobicContact CD2-CD2 4.26Å; F2767-L2795 HydrophobicContact CD2-CG 4.42Å; F2767-L2795 PolarHBondContact N-O 3.05Å; F2767-L2795 PolarHBondContact O-N 3Å; L2793-L2795 HydrophobicContact CD1-CB 4.03Å; L2795-F2797 HydrophobicContact CD1-CD2 4.45Å; L2795-F2797 HydrophobicContact CD1-CE1 4.3Å; L2795-F2797 HydrophobicContact CD1-CE2 3.86Å; L2795-F2797 HydrophobicContact CD1-CZ 3.73Å; L2795-F2797 HydrophobicContact CD2-CD2 4.42Å; L2795-F2797 HydrophobicContact CD2-CE2 3.4Å; L2795-F2797 HydrophobicContact CD2-CZ 3.6Å; L2795-F2797 VanDerWaalsContact CD2-CZ 3.48Å; L2795-F2797 HydrophobicContact CG-CD2 4.09Å; L2795-F2797 HydrophobicContact CG-CE2 3.38Å; L2795-F2797 VanDerWaalsContact CG-CE2 3.5Å; L2795-F2797 HydrophobicContact CG-CZ 3.73Å; L2795-T2836 HydrophobicContact CD1-CG2 3.88Å; L2795-T2837 CarbonylContact C-O 3.54Å; L2795-T2837 WeakPolarHBondContact CA-O 3.31Å; L2795-L2838 HydrophobicContact CB-CD1 4.43Å; L2795-L2838 HydrophobicContact CD1-CB 4.09Å; L2795-L2838 HydrophobicContact CD1-CD1 4.28Å |
| 2796 | M | 91.3 | Very high | 74.8 | Confident | 78.25 Ų | 78.25 | 50.6 Ų | 50.6 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.8 | 178.8 | -174.9 | -177.8 | -45.3 | 0 | 0 | 109.6 | V2765 F2766 T2798 T2836 T2837 | V2765-M2796 CarbonylContact O-C 3.5Å; V2765-M2796 VanDerWaalsContact O-CA 3.29Å; V2765-M2796 WeakPolarHBondContact O-CA 3.38Å; F2766-M2796 HydrophobicContact CD2-CB 4.23Å; F2766-M2796 HydrophobicContact CD2-CE 3.95Å; F2766-M2796 HydrophobicContact CD2-CG 4.48Å; F2766-M2796 HydrophobicContact CE2-CE 4.31Å; M2796-T2798 HydrophobicContact CG-CG2 4.12Å; M2796-T2798 HydrophobicContact SD-CG2 4.27Å; M2796-T2836 CarbonylContact O-C 3.51Å; M2796-T2836 VanDerWaalsContact O-CA 3.25Å; M2796-T2836 WeakPolarHBondContact O-CA 3.27Å; M2796-T2837 HydrophobicContact CE-CG2 4.45Å; M2796-T2837 PolarHBondContact N-O 3.25Å; M2796-T2837 PolarHBondContact O-N 2.92Å |
| 2797 | F | 88 | Confident | 72.7 | Confident | 74.75 Ų | 74.75 | 55.5 Ų | 55.5 | 33% | 0.328 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.7 | 169.8 | -76.7 | -88.5 | 0 | 0 | 0 | 108.9 | V2763 F2764 V2765 F2767 L2795 V2835 T2836 | V2763-F2797 HydrophobicContact CG1-CD1 4.37Å; V2763-F2797 HydrophobicContact CG1-CE1 4.19Å; F2764-F2797 CarbonylContact C-O 3.55Å; F2764-F2797 WeakPolarHBondContact CA-O 3.33Å; V2765-F2797 HydrophobicContact CB-CB 4.3Å; V2765-F2797 HydrophobicContact CB-CD2 4.38Å; V2765-F2797 HydrophobicContact CG1-CD2 4.46Å; V2765-F2797 HydrophobicContact CG2-CD1 4.38Å; V2765-F2797 PolarHBondContact N-O 3.06Å; V2765-F2797 PolarHBondContact O-N 2.91Å; F2767-F2797 HydrophobicContact CD2-CD2 4.14Å; F2767-F2797 HydrophobicContact CD2-CE2 4Å; F2767-F2797 HydrophobicContact CE2-CD2 4.13Å; F2767-F2797 HydrophobicContact CE2-CE2 4.01Å; L2795-F2797 HydrophobicContact CD1-CD2 4.45Å; L2795-F2797 HydrophobicContact CD1-CE1 4.3Å; L2795-F2797 HydrophobicContact CD1-CE2 3.86Å; L2795-F2797 HydrophobicContact CD1-CZ 3.73Å; L2795-F2797 HydrophobicContact CD2-CD2 4.42Å; L2795-F2797 HydrophobicContact CD2-CE2 3.4Å; L2795-F2797 HydrophobicContact CD2-CZ 3.6Å; L2795-F2797 VanDerWaalsContact CD2-CZ 3.48Å; L2795-F2797 HydrophobicContact CG-CD2 4.09Å; L2795-F2797 HydrophobicContact CG-CE2 3.38Å; L2795-F2797 VanDerWaalsContact CG-CE2 3.5Å; L2795-F2797 HydrophobicContact CG-CZ 3.73Å; F2797-V2835 CarbonylContact C-O 3.54Å; F2797-V2835 WeakPolarHBondContact CA-O 3.39Å; F2797-T2836 HydrophobicContact CD1-CG2 3.55Å; F2797-T2836 WeakPolarHBondContact CD1-OG1 3.39Å; F2797-T2836 HydrophobicContact CE1-CG2 3.39Å; F2797-T2836 VanDerWaalsContact CE1-CG2 3.48Å; F2797-T2836 HydrophobicContact CG-CG2 4.43Å; F2797-T2836 HydrophobicContact CZ-CG2 4.2Å |
| 2798 | T | 85.5 | Confident | 70.4 | Confident | 33.25 Ų | 33.25 | 62.3 Ų | 62.3 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.1 | 170.7 | 67.8 | 0 | 0 | 0 | 0 | 109.7 | V2763 F2764 M2796 M2834 V2835 | V2763-T2798 CarbonylContact O-C 3.58Å; V2763-T2798 VanDerWaalsContact O-CA 3.25Å; V2763-T2798 WeakPolarHBondContact O-CA 3.36Å; F2764-T2798 HydrophobicContact CD1-CG2 3.61Å; F2764-T2798 HydrophobicContact CE1-CG2 4.15Å; F2764-T2798 HydrophobicContact CG-CG2 4.49Å; M2796-T2798 HydrophobicContact CG-CG2 4.12Å; M2796-T2798 HydrophobicContact SD-CG2 4.27Å; T2798-M2834 CarbonylContact O-C 3.56Å; T2798-M2834 VanDerWaalsContact O-CA 3.3Å; T2798-M2834 WeakPolarHBondContact O-CA 3.33Å; T2798-V2835 PolarHBondContact N-O 3.21Å; T2798-V2835 PolarHBondContact O-N 3.18Å; T2798-V2835 WeakPolarHBondContact OG1-CB 3.42Å |
| 2799 | Y | 82.5 | Confident | 68.1 | Low | 40 Ų | 40 | 69 Ų | 69 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126 | 174.3 | 174.3 | -97.2 | 0 | 0 | 0 | 108.6 | V2756 E2757 D2762 V2763 L2833 M2834 | V2756-Y2799 HydrophobicContact CG1-CD2 4.43Å; V2756-Y2799 HydrophobicContact CG1-CE1 4.45Å; V2756-Y2799 HydrophobicContact CG1-CE2 4.24Å; V2756-Y2799 VanDerWaalsContact O-CZ 3.31Å; V2756-Y2799 PolarHBondContact O-OH 2.98Å; E2757-Y2799 VanDerWaalsContact CA-OH 3.3Å; E2757-Y2799 WeakPolarHBondContact CA-OH 3.32Å; E2757-Y2799 PolarHBondContact O-OH 3.16Å; D2762-Y2799 CarbonylContact C-O 3.5Å; D2762-Y2799 VanDerWaalsContact CA-O 3.3Å; D2762-Y2799 WeakPolarHBondContact CA-O 3.39Å; V2763-Y2799 PolarHBondContact N-O 3.06Å; V2763-Y2799 PolarHBondContact O-N 3.13Å; Y2799-L2833 WeakPolarHBondContact CA-O 3.22Å; Y2799-M2834 HydrophobicContact CD2-CB 4.32Å |
| 2800 | G | 70.5 | Confident | 65.9 | Low | 14.25 Ų | 14.25 | 70.8 Ų | 70.8 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 155.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D2762 L2833 | D2762-G2800 VanDerWaalsContact OD1-CA 3.28Å; D2762-G2800 WeakPolarHBondContact OD1-CA 3.34Å; G2800-L2833 PolarHBondContact N-O 3.1Å; G2800-L2833 PolarHBondContact O-N 2.99Å; G2800-L2833 VanDerWaalsContact O-N 3.12Å |
| 2801 | K | 61.2 | Low | 63.8 | Low | 45 Ų | 45 | 71.2 Ų | 71.2 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -96.4 | 10.7 | 179.2 | -67 | 177.5 | 177.2 | 178.5 | 0 | 111.9 | E2757 S2758 F2759 D2762 A2803 | E2757-K2801 WeakPolarHBondContact O-CE 3.37Å; E2757-K2801 PolarHBondContact O-NZ 3.23Å; S2758-K2801 PolarHBondContact O-NZ 3.03Å; S2758-K2801 VanDerWaalsContact O-NZ 3.09Å; F2759-K2801 VanDerWaalsContact O-CE 3.27Å; F2759-K2801 WeakPolarHBondContact O-CE 3.4Å; F2759-K2801 PolarHBondContact O-NZ 3.13Å; D2762-K2801 PolarHBondContact OD1-N 2.87Å; K2801-A2803 PolarHBondContact O-N 2.72Å |
| 2802 | S | 52.2 | Low | 61.8 | Low | 53.3333 Ų | 53.3333 | 74.6 Ų | 74.6 | 37% | 0.373 | 40% | 0.395 | S | S | . | . | trans | -74.2 | 26.1 | -168.4 | -166.2 | 0 | 0 | 0 | 0 | 116.1 | K2685 V2804 D2805 | K2685-S2802 VanDerWaalsContact NZ-CB 3.29Å; K2685-S2802 PolarHBondContact NZ-OG 3.41Å; S2802-V2804 VanDerWaalsContact C-N 3.33Å; S2802-V2804 PolarHBondContact O-N 2.94Å; S2802-V2804 VanDerWaalsContact O-N 3.09Å; S2802-V2804 PolarHBondContact OG-N 2.9Å; S2802-D2805 PolarHBondContact O-N 3.41Å; S2802-D2805 PolarHBondContact OG-OD2 2.89Å | ||
| 2803 | A | 43.9 | Very low | 59.5 | Low | 52.6667 Ų | 52.6667 | 79 Ų | 79 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -88.4 | -0.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K2801 L2833 | K2801-A2803 PolarHBondContact O-N 2.72Å; A2803-L2833 HydrophobicContact CB-CB 4.34Å; A2803-L2833 HydrophobicContact CB-CD2 3.7Å |
| 2804 | V | 44.4 | Very low | 56.9 | Low | 34.6667 Ų | 34.6667 | 81.2 Ų | 81.2 | 21% | 0.21 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -93.2 | -23.9 | -175.1 | 178.5 | 0 | 0 | 0 | 0 | 113 | S2802 H2806 L2807 R2808 S2831 | S2802-V2804 VanDerWaalsContact C-N 3.33Å; S2802-V2804 PolarHBondContact O-N 2.94Å; S2802-V2804 VanDerWaalsContact O-N 3.09Å; S2802-V2804 PolarHBondContact OG-N 2.9Å; V2804-H2806 VanDerWaalsContact C-N 3.27Å; V2804-H2806 PolarHBondContact O-N 2.97Å; V2804-L2807 PolarHBondContact O-N 3.2Å; V2804-L2807 VanDerWaalsContact O-N 3.15Å; V2804-R2808 PolarHBondContact O-N 2.92Å; V2804-S2831 VanDerWaalsContact CG2-OG 3.26Å; V2804-S2831 WeakPolarHBondContact CG2-OG 3.25Å |
| 2805 | D | 40.7 | Very low | 53.9 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 47% | 0.465 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.8 | -23.4 | -177.6 | -63.8 | -42 | 0 | 0 | 0 | 113.1 | S2802 R2808 K2809 | S2802-D2805 PolarHBondContact O-N 3.41Å; S2802-D2805 PolarHBondContact OG-OD2 2.89Å; D2805-R2808 PolarHBondContact O-N 3.13Å; D2805-R2808 IonicContact OD1-NH1 3.33Å; D2805-R2808 PolarHBondContact OD1-NH1 3.18Å; D2805-K2809 PolarHBondContact O-N 2.87Å |
| 2806 | H | 38.6 | Very low | 51.1 | Low | 143.333 Ų | 143.333 | 94.2 Ų | 94.2 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.2 | -28.5 | 171.1 | -78.9 | -79.1 | 0 | 0 | 0 | 113.6 | V2804 T2810 | V2804-H2806 VanDerWaalsContact C-N 3.27Å; V2804-H2806 PolarHBondContact O-N 2.97Å; H2806-T2810 PolarHBondContact O-N 2.73Å; H2806-T2810 PolarHBondContact O-OG1 3.01Å |
| 2807 | L | 41.5 | Very low | 47.9 | Very low | 103.667 Ų | 103.667 | 101.9 Ų | 101.9 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.9 | -26.5 | 174.6 | -108.6 | 78.4 | 0 | 0 | 0 | 112.4 | V2804 K2809 T2810 A2811 | V2804-L2807 PolarHBondContact O-N 3.2Å; V2804-L2807 VanDerWaalsContact O-N 3.15Å; L2807-K2809 VanDerWaalsContact C-N 3.29Å; L2807-K2809 PolarHBondContact O-N 3.43Å; L2807-T2810 PolarHBondContact O-N 2.78Å; L2807-T2810 PolarHBondContact O-OG1 2.92Å; L2807-A2811 VanDerWaalsContact O-CB 3.24Å; L2807-A2811 WeakPolarHBondContact O-CB 3.46Å; L2807-A2811 PolarHBondContact O-N 3.11Å |
| 2808 | R | 40.2 | Very low | 45.2 | Very low | 173.667 Ų | 173.667 | 103.5 Ų | 103.5 | 66% | 0.655 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69 | -36.4 | 174.2 | -81.4 | -180 | 167.9 | 148.2 | -6.9 | 112.6 | V2804 D2805 T2810 A2811 S2812 | V2804-R2808 PolarHBondContact O-N 2.92Å; D2805-R2808 PolarHBondContact O-N 3.13Å; D2805-R2808 IonicContact OD1-NH1 3.33Å; D2805-R2808 PolarHBondContact OD1-NH1 3.18Å; R2808-T2810 VanDerWaalsContact C-N 3.31Å; R2808-T2810 PolarHBondContact O-N 2.95Å; R2808-A2811 PolarHBondContact O-N 3.03Å; R2808-S2812 PolarHBondContact O-N 2.73Å; R2808-S2812 VanDerWaalsContact O-N 3.14Å; R2808-S2812 PolarHBondContact O-OG 2.73Å |
| 2809 | K | 39.6 | Very low | 42.4 | Very low | 163.667 Ų | 163.667 | 110.5 Ų | 110.5 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.8 | -18.2 | 177.9 | -76.5 | -178 | 176.6 | 177.9 | 0 | 114.3 | D2805 L2807 S2812 | D2805-K2809 PolarHBondContact O-N 2.87Å; L2807-K2809 VanDerWaalsContact C-N 3.29Å; L2807-K2809 PolarHBondContact O-N 3.43Å; K2809-S2812 PolarHBondContact O-OG 3.09Å |
| 2810 | T | 40.9 | Very low | 39.9 | Very low | 99.6667 Ų | 99.6667 | 117.5 Ų | 117.5 | 61% | 0.611 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -98.3 | -18.8 | 177.4 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | H2806 L2807 R2808 | H2806-T2810 PolarHBondContact O-N 2.73Å; H2806-T2810 PolarHBondContact O-OG1 3.01Å; L2807-T2810 PolarHBondContact O-N 2.78Å; L2807-T2810 PolarHBondContact O-OG1 2.92Å; R2808-T2810 VanDerWaalsContact C-N 3.31Å; R2808-T2810 PolarHBondContact O-N 2.95Å |
| 2811 | A | 40.4 | Very low | 38.1 | Very low | 64 Ų | 64 | 123 Ų | 123 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -83 | -15.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2807 R2808 L2813 S2814 | L2807-A2811 VanDerWaalsContact O-CB 3.24Å; L2807-A2811 WeakPolarHBondContact O-CB 3.46Å; L2807-A2811 PolarHBondContact O-N 3.11Å; R2808-A2811 PolarHBondContact O-N 3.03Å; A2811-L2813 VanDerWaalsContact C-N 3.28Å; A2811-L2813 PolarHBondContact O-N 3.16Å; A2811-S2814 PolarHBondContact O-N 2.74Å; A2811-S2814 PolarHBondContact O-OG 2.71Å |
| 2812 | S | 37.4 | Very low | 36.5 | Very low | 91.3333 Ų | 91.3333 | 128.7 Ų | 128.7 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 10.3 | -179.1 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | R2808 K2809 | R2808-S2812 PolarHBondContact O-N 2.73Å; R2808-S2812 VanDerWaalsContact O-N 3.14Å; R2808-S2812 PolarHBondContact O-OG 2.73Å; K2809-S2812 PolarHBondContact O-OG 3.09Å |
| 2813 | L | 39.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 13.3 | -177.8 | -76 | 163.5 | 0 | 0 | 0 | 113.6 | A2811 | A2811-L2813 VanDerWaalsContact C-N 3.28Å; A2811-L2813 PolarHBondContact O-N 3.16Å |
| 2814 | S | 33.6 | Very low | 34.9 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | -133.6 | 87.7 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 111 | A2811 Q2816 | A2811-S2814 PolarHBondContact O-N 2.74Å; A2811-S2814 PolarHBondContact O-OG 2.71Å; S2814-Q2816 PolarHBondContact O-N 2.92Å; S2814-Q2816 VanDerWaalsContact O-N 3.14Å | ||
| 2815 | E | 28.8 | Very low | 34.2 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | -71.3 | 109.1 | 173.8 | -67.2 | -178.3 | 146.3 | 0 | 0 | 111 | ||||
| 2816 | Q | 31.4 | Very low | 33.6 | Very low | 185.667 Ų | 185.667 | 140.1 Ų | 140.1 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | trans | -151.7 | 113.8 | 151.3 | -113 | 174.3 | -4.8 | 0 | 0 | 111.6 | S2814 S2818 | S2814-Q2816 PolarHBondContact O-N 2.92Å; S2814-Q2816 VanDerWaalsContact O-N 3.14Å; Q2816-S2818 PolarHBondContact O-N 3.11Å | ||
| 2817 | R | 26.1 | Very low | 33.2 | Very low | 239 Ų | 239 | 138.5 Ų | 138.5 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -17.7 | 113.1 | 172.5 | -79.1 | 172.3 | 163.1 | 165.3 | -5.7 | 116.1 | ||||
| 2818 | S | 30 | Very low | 33.1 | Very low | 108.333 Ų | 108.333 | 138.4 Ų | 138.4 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | -139 | 129.7 | 135.7 | 60 | 0 | 0 | 0 | 0 | 108.4 | Q2816 F2820 | Q2816-S2818 PolarHBondContact O-N 3.11Å; S2818-F2820 PolarHBondContact O-N 3.12Å; S2818-F2820 VanDerWaalsContact O-N 3.16Å | ||
| 2819 | H | 27.1 | Very low | 33.3 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -66.8 | 109.3 | -177.2 | -78.5 | -95.7 | 0 | 0 | 0 | 110.8 | ||||
| 2820 | F | 30.7 | Very low | 33.8 | Very low | 186 Ų | 186 | 131 Ų | 131 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | -105.4 | 126.5 | 156.3 | -128.7 | -96.3 | 0 | 0 | 0 | 107.1 | S2818 D2822 | S2818-F2820 PolarHBondContact O-N 3.12Å; S2818-F2820 VanDerWaalsContact O-N 3.16Å; F2820-D2822 PolarHBondContact O-N 3.04Å | ||
| 2821 | V | 31.4 | Very low | 34.5 | Very low | 130.667 Ų | 130.667 | 127.5 Ų | 127.5 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | trans | -80.1 | 119.5 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 107.5 | G2823 | V2821-G2823 PolarHBondContact O-N 2.94Å; V2821-G2823 VanDerWaalsContact O-N 3.15Å | ||
| 2822 | D | 28.9 | Very low | 35.6 | Very low | 164.667 Ų | 164.667 | 125.1 Ų | 125.1 | 88% | 0.881 | 69% | 0.693 | S | S | * | * | trans | -66.6 | 107.3 | 176.2 | -74.7 | -46.2 | 0 | 0 | 0 | 110.8 | F2820 | F2820-D2822 PolarHBondContact O-N 3.04Š| ||
| 2823 | G | 30.7 | Very low | 37.2 | Very low | 52.6667 Ų | 52.6667 | 123.4 Ų | 123.4 | 54% | 0.543 | 68% | 0.677 | S | S | . | * | trans | -115.6 | 147.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | V2821 S2825 | V2821-G2823 PolarHBondContact O-N 2.94Å; V2821-G2823 VanDerWaalsContact O-N 3.15Å; G2823-S2825 PolarHBondContact O-N 3.13Å | ||
| 2824 | P | 29.9 | Very low | 39.2 | Very low | 134.667 Ų | 134.667 | 119.6 Ų | 119.6 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | trans | -65.6 | 110.4 | -169 | 27.2 | -33.8 | 0 | 0 | 0 | 111.3 | M2826 | P2824-M2826 PolarHBondContact O-N 3.23Å; P2824-M2826 VanDerWaalsContact O-N 3.14Å | ||
| 2825 | S | 30.4 | Very low | 41.6 | Very low | 110.667 Ų | 110.667 | 117 Ų | 117 | 77% | 0.774 | 64% | 0.636 | S | S | * | * | trans | -45.5 | 100.5 | 172.4 | 60 | 0 | 0 | 0 | 0 | 113.4 | G2823 S2827 | G2823-S2825 PolarHBondContact O-N 3.13Å; S2825-S2827 PolarHBondContact O-N 3Å | ||
| 2826 | M | 28.6 | Very low | 44.4 | Very low | 169 Ų | 169 | 108.7 Ų | 108.7 | 83% | 0.833 | 60% | 0.598 | S | S | * | * | trans | -66.4 | 123.6 | 154.6 | -84.6 | -80.7 | -79.9 | 0 | 0 | 109.3 | P2824 L2828 | P2824-M2826 PolarHBondContact O-N 3.23Å; P2824-M2826 VanDerWaalsContact O-N 3.14Å; M2826-L2828 PolarHBondContact O-N 3.38Å | ||
| 2827 | S | 30.1 | Very low | 47.3 | Very low | 110 Ų | 110 | 101.6 Ų | 101.6 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | trans | -57.4 | 102.3 | 179.8 | 49.4 | 0 | 0 | 0 | 0 | 111.3 | S2825 | S2825-S2827 PolarHBondContact O-N 3Š| ||
| 2828 | L | 39.3 | Very low | 50.4 | Low | 101 Ų | 101 | 92.1 Ų | 92.1 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | trans | -59 | 130.5 | 175.2 | -94 | 82.3 | 0 | 0 | 0 | 110 | M2826 N2830 Y2885 M2905 | M2826-L2828 PolarHBondContact O-N 3.38Å; L2828-N2830 PolarHBondContact O-N 3.17Å; L2828-Y2885 WeakPolarHBondContact CD2-O 3.45Å; L2828-M2905 HydrophobicContact CD2-CE 3.97Å; L2828-M2905 HydrophobicContact CG-CE 4.13Å | ||
| 2829 | P | 43.5 | Very low | 53.3 | Low | 76.6667 Ų | 76.6667 | 88.8 Ų | 88.8 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | trans | -70.7 | 130.1 | -177 | 19.8 | -21.1 | 0 | 0 | 0 | 112.4 | Y2885 | P2829-Y2885 HydrophobicContact CB-CD2 4.47Å; P2829-Y2885 HydrophobicContact CG-CD2 3.93Å; P2829-Y2885 HydrophobicContact CG-CE2 4.45Å; P2829-Y2885 HydrophobicContact CG-CG 4.19Å; P2829-Y2885 WeakPolarHBondContact O-CD2 3.19Å | ||
| 2830 | N | 50.1 | Low | 56.3 | Low | 105.667 Ų | 105.667 | 82.2 Ų | 82.2 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | trans | 2.6 | 118.7 | 162.4 | -60.7 | -8.1 | 0 | 0 | 0 | 117.2 | L2828 | L2828-N2830 PolarHBondContact O-N 3.17Š| ||
| 2831 | S | 55.6 | Low | 59 | Low | 25 Ų | 25 | 74.8 Ų | 74.8 | 18% | 0.175 | 45% | 0.452 | C | S | . | . | trans | -83.7 | 120.5 | 164.8 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | V2804 S2883 | V2804-S2831 VanDerWaalsContact CG2-OG 3.26Å; V2804-S2831 WeakPolarHBondContact CG2-OG 3.25Å; S2831-S2883 VanDerWaalsContact CA-O 3.25Å; S2831-S2883 WeakPolarHBondContact CA-O 3.37Å; S2831-S2883 VanDerWaalsContact CB-O 3.23Å; S2831-S2883 WeakPolarHBondContact CB-O 3.28Å | ||
| 2832 | G | 63.8 | Low | 61.6 | Low | 13.6667 Ų | 13.6667 | 74 Ų | 74 | 14% | 0.141 | 44% | 0.439 | C | S | . | . | trans | -82.8 | 136.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2882 S2883 | G2832-S2882 WeakPolarHBondContact O-CA 3.38Å; G2832-S2882 PolarHBondContact O-OG 3.16Å; G2832-S2883 PolarHBondContact O-N 3.05Å; G2832-S2883 VanDerWaalsContact O-N 3.13Å | ||
| 2833 | L | 71.5 | Confident | 64.4 | Low | 56.3333 Ų | 56.3333 | 68.8 Ų | 68.8 | 30% | 0.295 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.9 | 165.3 | 179.2 | 66 | 0 | 0 | 0 | 108.8 | Y2799 G2800 A2803 V2835 A2880 R2881 | Y2799-L2833 WeakPolarHBondContact CA-O 3.22Å; G2800-L2833 PolarHBondContact N-O 3.1Å; G2800-L2833 PolarHBondContact O-N 2.99Å; G2800-L2833 VanDerWaalsContact O-N 3.12Å; A2803-L2833 HydrophobicContact CB-CB 4.34Å; A2803-L2833 HydrophobicContact CB-CD2 3.7Å; L2833-V2835 HydrophobicContact CD1-CG2 4.2Å; L2833-V2835 HydrophobicContact CD2-CG2 4.14Å; L2833-V2835 HydrophobicContact CG-CG2 3.96Å; L2833-A2880 HydrophobicContact CD1-CB 4.48Å; L2833-R2881 WeakPolarHBondContact CA-O 3.41Å |
| 2834 | M | 80.6 | Confident | 67.1 | Low | 76.3333 Ų | 76.3333 | 66.8 Ų | 66.8 | 38% | 0.376 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.2 | 170.2 | -173.3 | -173.7 | 81.6 | 0 | 0 | 108.2 | T2798 Y2799 A2880 R2881 | T2798-M2834 CarbonylContact O-C 3.56Å; T2798-M2834 VanDerWaalsContact O-CA 3.3Å; T2798-M2834 WeakPolarHBondContact O-CA 3.33Å; Y2799-M2834 HydrophobicContact CD2-CB 4.32Å; M2834-A2880 CarbonylContact O-C 3.54Å; M2834-A2880 VanDerWaalsContact O-CA 3.28Å; M2834-A2880 WeakPolarHBondContact O-CA 3.21Å; M2834-R2881 HydrophobicContact CB-CB 4.47Å; M2834-R2881 HydrophobicContact CE-CB 4.25Å; M2834-R2881 PolarHBondContact N-O 3.11Å; M2834-R2881 PolarHBondContact O-N 3.02Å |
| 2835 | V | 84.6 | Confident | 69.9 | Low | 37 Ų | 37 | 62.1 Ų | 62.1 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.4 | 172.8 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | F2797 T2798 L2833 N2878 M2879 A2880 | F2797-V2835 CarbonylContact C-O 3.54Å; F2797-V2835 WeakPolarHBondContact CA-O 3.39Å; T2798-V2835 PolarHBondContact N-O 3.21Å; T2798-V2835 PolarHBondContact O-N 3.18Å; T2798-V2835 WeakPolarHBondContact OG1-CB 3.42Å; L2833-V2835 HydrophobicContact CD1-CG2 4.2Å; L2833-V2835 HydrophobicContact CD2-CG2 4.14Å; L2833-V2835 HydrophobicContact CG-CG2 3.96Å; V2835-N2878 VanDerWaalsContact CG1-OD1 3.24Å; V2835-N2878 WeakPolarHBondContact CG1-OD1 3.48Å; V2835-M2879 CarbonylContact C-O 3.53Å; V2835-M2879 WeakPolarHBondContact CA-O 3.34Å; V2835-A2880 HydrophobicContact CG1-CB 4.45Å; V2835-A2880 HydrophobicContact CG2-CB 4.15Å |
| 2836 | T | 88.9 | Confident | 72.7 | Confident | 18.6667 Ų | 18.6667 | 58.8 Ų | 58.8 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 112.4 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 108.2 | L2795 M2796 F2797 N2878 M2879 | L2795-T2836 HydrophobicContact CD1-CG2 3.88Å; M2796-T2836 CarbonylContact O-C 3.51Å; M2796-T2836 VanDerWaalsContact O-CA 3.25Å; M2796-T2836 WeakPolarHBondContact O-CA 3.27Å; F2797-T2836 HydrophobicContact CD1-CG2 3.55Å; F2797-T2836 WeakPolarHBondContact CD1-OG1 3.39Å; F2797-T2836 HydrophobicContact CE1-CG2 3.39Å; F2797-T2836 VanDerWaalsContact CE1-CG2 3.48Å; F2797-T2836 HydrophobicContact CG-CG2 4.43Å; F2797-T2836 HydrophobicContact CZ-CG2 4.2Å; T2836-N2878 CarbonylContact O-C 3.52Å; T2836-N2878 WeakPolarHBondContact O-CA 3.39Å; T2836-M2879 PolarHBondContact N-O 3.04Å; T2836-M2879 PolarHBondContact O-N 3.22Å |
| 2837 | T | 90.7 | Very high | 75.5 | Confident | 36.6667 Ų | 36.6667 | 51.2 Ų | 51.2 | 23% | 0.225 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.6 | 176 | -65.5 | 0 | 0 | 0 | 0 | 108.7 | L2795 M2796 T2839 I2877 N2878 | L2795-T2837 CarbonylContact C-O 3.54Å; L2795-T2837 WeakPolarHBondContact CA-O 3.31Å; M2796-T2837 HydrophobicContact CE-CG2 4.45Å; M2796-T2837 PolarHBondContact N-O 3.25Å; M2796-T2837 PolarHBondContact O-N 2.92Å; T2837-T2839 HydrophobicContact CG2-CG2 4.37Å; T2837-I2877 CarbonylContact C-O 3.56Å; T2837-I2877 WeakPolarHBondContact CA-O 3.49Å; T2837-N2878 WeakPolarHBondContact CB-OD1 3.49Å; T2837-N2878 VanDerWaalsContact CG2-OD1 3.26Å; T2837-N2878 WeakPolarHBondContact CG2-OD1 3.34Å; T2837-N2878 PolarHBondContact OG1-OD1 2.98Å |
| 2838 | L | 92 | Very high | 78 | Confident | 40.3333 Ų | 40.3333 | 46.6 Ų | 46.6 | 21% | 0.211 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.9 | 179.6 | 166.2 | 63.3 | 0 | 0 | 0 | 108 | L2793 Q2794 L2795 L2840 S2876 I2877 | L2793-L2838 HydrophobicContact CD1-CD1 3.12Å; L2793-L2838 HydrophobicContact CD1-CG 4.48Å; L2793-L2838 HydrophobicContact CG-CD1 4.48Å; Q2794-L2838 CarbonylContact O-C 3.55Å; Q2794-L2838 WeakPolarHBondContact O-CA 3.38Å; L2795-L2838 HydrophobicContact CB-CD1 4.43Å; L2795-L2838 HydrophobicContact CD1-CB 4.09Å; L2795-L2838 HydrophobicContact CD1-CD1 4.28Å; L2838-L2840 HydrophobicContact CD1-CD2 3.96Å; L2838-L2840 HydrophobicContact CD1-CG 4.22Å; L2838-L2840 HydrophobicContact CG-CG 4.38Å; L2838-S2876 CarbonylContact O-C 3.58Å; L2838-S2876 VanDerWaalsContact O-CA 3.31Å; L2838-S2876 WeakPolarHBondContact O-CA 3.44Å; L2838-I2877 HydrophobicContact CB-CB 4.28Å; L2838-I2877 HydrophobicContact CD2-CB 4.4Å; L2838-I2877 HydrophobicContact CD2-CD1 4.1Å; L2838-I2877 PolarHBondContact N-O 3.02Å; L2838-I2877 PolarHBondContact O-N 2.96Å |
| 2839 | T | 91.3 | Very high | 79.9 | Confident | 38.3333 Ų | 38.3333 | 44.1 Ų | 44.1 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.6 | 170.7 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | L2793 Q2794 T2837 V2875 | L2793-T2839 WeakPolarHBondContact CA-O 3.41Å; Q2794-T2839 VanDerWaalsContact CB-OG1 3.3Å; Q2794-T2839 WeakPolarHBondContact CB-OG1 3.39Å; Q2794-T2839 PolarHBondContact N-O 2.82Å; Q2794-T2839 PolarHBondContact O-N 2.91Å; Q2794-T2839 PolarHBondContact O-OG1 2.97Å; Q2794-T2839 PolarHBondContact OE1-OG1 2.79Å; T2837-T2839 HydrophobicContact CG2-CG2 4.37Å; T2839-V2875 CarbonylContact C-O 3.54Å; T2839-V2875 WeakPolarHBondContact CA-O 3.31Å |
| 2840 | L | 89.9 | Confident | 81.1 | Confident | 41.6667 Ų | 41.6667 | 45.7 Ų | 45.7 | 22% | 0.218 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.8 | 177.4 | -63.7 | 171.3 | 0 | 0 | 0 | 107.4 | P2791 E2792 L2793 L2838 S2874 V2875 | P2791-L2840 HydrophobicContact CB-CB 4.16Å; P2791-L2840 HydrophobicContact CB-CD2 4.31Å; P2791-L2840 HydrophobicContact CG-CB 4.42Å; P2791-L2840 HydrophobicContact CG-CD2 3.87Å; E2792-L2840 CarbonylContact O-C 3.58Å; E2792-L2840 VanDerWaalsContact O-CA 3.26Å; E2792-L2840 WeakPolarHBondContact O-CA 3.36Å; L2793-L2840 HydrophobicContact CB-CD2 3.97Å; L2793-L2840 HydrophobicContact CD1-CD2 3.57Å; L2793-L2840 VanDerWaalsContact CD1-CD2 3.41Å; L2793-L2840 HydrophobicContact CD1-CG 4.22Å; L2793-L2840 HydrophobicContact CG-CD2 4.36Å; L2838-L2840 HydrophobicContact CD1-CD2 3.96Å; L2838-L2840 HydrophobicContact CD1-CG 4.22Å; L2838-L2840 HydrophobicContact CG-CG 4.38Å; L2840-S2874 CarbonylContact O-C 3.52Å; L2840-S2874 WeakPolarHBondContact O-CA 3.37Å; L2840-S2874 WeakPolarHBondContact O-CB 3.41Å; L2840-V2875 HydrophobicContact CB-CB 4.35Å; L2840-V2875 PolarHBondContact N-O 2.96Å; L2840-V2875 PolarHBondContact O-N 3.05Å |
| 2841 | S | 88 | Confident | 81.9 | Confident | 31.3333 Ų | 31.3333 | 49 Ų | 49 | 22% | 0.219 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.6 | -179.9 | 15.7 | 0 | 0 | 0 | 0 | 111.8 | P2791 E2792 F2843 R2873 | P2791-S2841 CarbonylContact C-O 3.53Å; P2791-S2841 WeakPolarHBondContact CA-O 3.39Å; P2791-S2841 WeakPolarHBondContact CB-O 3.36Å; P2791-S2841 WeakPolarHBondContact CG-O 3.05Å; E2792-S2841 WeakPolarHBondContact CB-OG 3.42Å; E2792-S2841 PolarHBondContact N-O 3.44Å; E2792-S2841 PolarHBondContact O-N 3.07Å; E2792-S2841 PolarHBondContact O-OG 3.46Å; E2792-S2841 VanDerWaalsContact OE2-CB 3.28Å; E2792-S2841 WeakPolarHBondContact OE2-CB 3.42Å; E2792-S2841 PolarHBondContact OE2-OG 3.31Å; S2841-F2843 VanDerWaalsContact C-N 3.34Å; S2841-F2843 PolarHBondContact O-N 3.15Å; S2841-R2873 CarbonylContact C-O 3.51Å; S2841-R2873 WeakPolarHBondContact CA-O 3.33Å |
| 2842 | E | 84.5 | Confident | 82.1 | Confident | 113.333 Ų | 113.333 | 48.9 Ų | 48.9 | 53% | 0.53 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.3 | 34.3 | 174 | -48.3 | -163.9 | 150.3 | 0 | 0 | 116.7 | K2789 P2791 S2844 V2872 R2873 | K2789-E2842 WeakPolarHBondContact CD-O 3.34Å; K2789-E2842 WeakPolarHBondContact CE-OE2 3.44Å; K2789-E2842 IonicContact NZ-OE2 3.11Å; K2789-E2842 PolarHBondContact NZ-OE2 2.96Å; P2791-E2842 HydrophobicContact CB-CB 3.87Å; P2791-E2842 HydrophobicContact CG-CB 4.28Å; P2791-E2842 WeakPolarHBondContact CG-O 3.29Å; E2842-S2844 PolarHBondContact O-N 2.93Å; E2842-V2872 CarbonylContact C-O 3.44Å; E2842-V2872 VanDerWaalsContact CA-O 3.27Å; E2842-V2872 WeakPolarHBondContact CA-O 3.35Å; E2842-V2872 PolarHBondContact N-O 3.43Å; E2842-R2873 PolarHBondContact N-O 3.02Å |
| 2843 | F | 87.5 | Confident | 81.7 | Confident | 56.6667 Ų | 56.6667 | 51.8 Ų | 51.8 | 25% | 0.249 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 127.7 | 174.5 | 175.6 | -91.6 | 0 | 0 | 0 | 110.3 | L2788 L2790 P2791 S2841 L2845 V2870 Q2871 V2872 | L2788-F2843 HydrophobicContact CD1-CD2 4.32Å; L2788-F2843 HydrophobicContact CD1-CE1 4.46Å; L2788-F2843 HydrophobicContact CD1-CE2 3.58Å; L2788-F2843 HydrophobicContact CD1-CZ 3.84Å; L2788-F2843 VanDerWaalsContact CD1-CZ 3.41Å; L2788-F2843 HydrophobicContact CG-CE2 4.23Å; L2790-F2843 HydrophobicContact CD2-CD2 4.17Å; L2790-F2843 HydrophobicContact CD2-CE2 4.18Å; P2791-F2843 HydrophobicContact CB-CB 4.11Å; P2791-F2843 VanDerWaalsContact CD-CA 3.46Å; P2791-F2843 HydrophobicContact CG-CB 4.36Å; P2791-F2843 HydrophobicContact CG-CD2 4.35Å; S2841-F2843 VanDerWaalsContact C-N 3.34Å; S2841-F2843 PolarHBondContact O-N 3.15Å; F2843-L2845 HydrophobicContact CE1-CB 3.99Å; F2843-L2845 HydrophobicContact CZ-CB 3.98Å; F2843-L2845 HydrophobicContact CZ-CD1 4.22Å; F2843-V2870 HydrophobicContact CD1-CG1 4.32Å; F2843-V2870 HydrophobicContact CE1-CB 4.29Å; F2843-V2870 HydrophobicContact CE1-CG1 4Å; F2843-Q2871 CarbonylContact O-C 3.53Å; F2843-Q2871 WeakPolarHBondContact O-CA 3.22Å; F2843-V2872 HydrophobicContact CB-CB 4.29Å; F2843-V2872 HydrophobicContact CD1-CB 4.39Å; F2843-V2872 HydrophobicContact CD1-CG2 4.14Å; F2843-V2872 PolarHBondContact N-O 3.06Å; F2843-V2872 VanDerWaalsContact N-O 3.11Å; F2843-V2872 PolarHBondContact O-N 2.87Å |
| 2844 | S | 88.8 | Confident | 80.5 | Confident | 10.6667 Ų | 10.6667 | 59 Ų | 59 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.8 | 167 | 27 | 0 | 0 | 0 | 0 | 113.3 | K2789 E2842 Y2846 V2870 | K2789-S2844 WeakPolarHBondContact CB-OG 2.93Å; K2789-S2844 PolarHBondContact N-O 2.97Å; K2789-S2844 PolarHBondContact O-N 3.03Å; K2789-S2844 VanDerWaalsContact O-N 3.16Å; E2842-S2844 PolarHBondContact O-N 2.93Å; S2844-Y2846 VanDerWaalsContact CB-CE2 3.48Å; S2844-Y2846 VanDerWaalsContact OG-CE2 3.24Å; S2844-Y2846 WeakPolarHBondContact OG-CE2 3.37Å; S2844-Y2846 PolarHBondContact OG-OH 2.85Å; S2844-V2870 CarbonylContact C-O 3.53Å; S2844-V2870 VanDerWaalsContact CA-O 3.24Å; S2844-V2870 WeakPolarHBondContact CA-O 3.11Å; S2844-V2870 WeakPolarHBondContact CB-O 3.27Å |
| 2845 | L | 89.1 | Confident | 78.6 | Confident | 35.6667 Ų | 35.6667 | 60.8 Ų | 60.8 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.2 | 179.8 | 178 | 131.6 | 0 | 0 | 0 | 108.9 | C2786 Y2787 L2788 F2843 I2847 F2868 I2869 V2870 | C2786-L2845 WeakPolarHBondContact SG-CD1 2.9Å; Y2787-L2845 WeakPolarHBondContact O-CA 3.36Å; L2788-L2845 HydrophobicContact CB-CD1 4.33Å; L2788-L2845 HydrophobicContact CD1-CB 4.11Å; L2788-L2845 HydrophobicContact CD1-CD1 4Å; L2788-L2845 HydrophobicContact CD1-CG 4.21Å; F2843-L2845 HydrophobicContact CE1-CB 3.99Å; F2843-L2845 HydrophobicContact CZ-CB 3.98Å; F2843-L2845 HydrophobicContact CZ-CD1 4.22Å; L2845-I2847 HydrophobicContact CD2-CD1 4.16Å; L2845-I2847 HydrophobicContact CD2-CG1 3.86Å; L2845-F2868 HydrophobicContact CD2-CD1 3.8Å; L2845-F2868 HydrophobicContact CD2-CE1 3.77Å; L2845-I2869 CarbonylContact O-C 3.56Å; L2845-I2869 WeakPolarHBondContact O-CA 3.41Å; L2845-V2870 HydrophobicContact CB-CB 4.28Å; L2845-V2870 HydrophobicContact CD2-CG2 4.31Å; L2845-V2870 PolarHBondContact N-O 2.89Å; L2845-V2870 PolarHBondContact O-N 2.79Å |
| 2846 | Y | 87.9 | Confident | 76.4 | Confident | 40.6667 Ų | 40.6667 | 67 Ų | 67 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.4 | 179.6 | -51.2 | -101.3 | 0 | 0 | 0 | 109 | C2786 Y2787 S2844 D2866 F2868 I2869 Q2871 | C2786-Y2846 CarbonylContact C-O 3.56Å; C2786-Y2846 VanDerWaalsContact CA-O 3.24Å; C2786-Y2846 WeakPolarHBondContact CA-O 3.23Å; C2786-Y2846 PolarHBondContact SG-O 2.97Å; Y2787-Y2846 AromaticContact CD1-CD2 3.8Å; Y2787-Y2846 HydrophobicContact CD1-CD2 3.8Å; Y2787-Y2846 HydrophobicContact CD1-CE2 4.21Å; Y2787-Y2846 PolarHBondContact N-O 2.89Å; Y2787-Y2846 PolarHBondContact O-N 2.96Å; S2844-Y2846 VanDerWaalsContact CB-CE2 3.48Å; S2844-Y2846 VanDerWaalsContact OG-CE2 3.24Å; S2844-Y2846 WeakPolarHBondContact OG-CE2 3.37Å; S2844-Y2846 PolarHBondContact OG-OH 2.85Å; Y2846-D2866 WeakPolarHBondContact CD1-OD2 3.31Å; Y2846-F2868 CarbonylContact C-O 3.55Å; Y2846-F2868 WeakPolarHBondContact CA-O 3.37Å; Y2846-I2869 HydrophobicContact CD1-CB 4.36Å; Y2846-I2869 HydrophobicContact CD1-CD1 4.32Å; Y2846-I2869 HydrophobicContact CD1-CG1 3.98Å; Y2846-I2869 HydrophobicContact CD1-CG2 3.77Å; Y2846-I2869 HydrophobicContact CE1-CD1 4.5Å; Y2846-I2869 HydrophobicContact CE1-CG1 4.47Å; Y2846-I2869 HydrophobicContact CE1-CG2 3.64Å; Y2846-Q2871 PolarHBondContact OH-NE2 3.18Å; Y2846-Q2871 VanDerWaalsContact OH-NE2 3.1Å |
| 2847 | I | 86.9 | Confident | 73.8 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.8 | 172 | -54.8 | 176.3 | 0 | 0 | 0 | 107.7 | V2784 E2785 C2786 L2845 A2867 F2868 I2932 F2935 | V2784-I2847 HydrophobicContact CG1-CG2 3.29Å; E2785-I2847 WeakPolarHBondContact O-CA 3.42Å; C2786-I2847 HydrophobicContact CB-CG1 4.34Å; L2845-I2847 HydrophobicContact CD2-CD1 4.16Å; L2845-I2847 HydrophobicContact CD2-CG1 3.86Å; I2847-A2867 WeakPolarHBondContact O-CB 3.31Å; I2847-A2867 PolarHBondContact O-N 3.13Å; I2847-F2868 HydrophobicContact CB-CB 4.07Å; I2847-F2868 HydrophobicContact CD1-CB 4.29Å; I2847-F2868 HydrophobicContact CD1-CD1 3.75Å; I2847-F2868 HydrophobicContact CD1-CE1 4.48Å; I2847-F2868 HydrophobicContact CD1-CG 4.39Å; I2847-F2868 HydrophobicContact CG1-CB 4.35Å; I2847-F2868 HydrophobicContact CG1-CD1 4.13Å; I2847-F2868 PolarHBondContact N-O 2.86Å; I2847-F2868 PolarHBondContact O-N 3.09Å; I2847-I2932 HydrophobicContact CD1-CG2 4.21Å; I2847-F2935 HydrophobicContact CD1-CD1 4.31Å; I2847-F2935 HydrophobicContact CG2-CB 4.41Å |
| 2848 | F | 83.1 | Confident | 71 | Confident | 12.6667 Ų | 12.6667 | 79.6 Ų | 79.6 | 6% | 0.056 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.4 | -176.5 | 65.3 | -84.4 | 0 | 0 | 0 | 111.5 | V2784 E2785 V2853 D2866 | V2784-F2848 WeakPolarHBondContact CA-O 3.18Å; E2785-F2848 HydrophobicContact CB-CD2 4.46Å; E2785-F2848 HydrophobicContact CB-CE1 3.98Å; E2785-F2848 HydrophobicContact CB-CE2 3.87Å; E2785-F2848 HydrophobicContact CB-CZ 3.56Å; E2785-F2848 HydrophobicContact CG-CZ 4.5Å; E2785-F2848 PolarHBondContact N-O 3Å; E2785-F2848 WeakPolarHBondContact O-CD1 3.26Å; E2785-F2848 PolarHBondContact O-N 3.25Å; F2848-V2853 HydrophobicContact CD2-CG2 4.26Å; F2848-V2853 HydrophobicContact CE2-CG2 4.25Å; F2848-D2866 WeakPolarHBondContact CB-OD1 3.32Å |
| 2849 | H | 78.7 | Confident | 68.2 | Low | 48 Ų | 48 | 85.8 Ų | 85.8 | 22% | 0.222 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.2 | 174.2 | -164.5 | -80 | 0 | 0 | 0 | 109.6 | Y2851 G2852 E2931 | H2849-Y2851 VanDerWaalsContact C-N 3.31Å; H2849-Y2851 AromaticContact CE1-CD2 3.7Å; H2849-Y2851 AromaticContact ND1-CD2 4Å; H2849-Y2851 PolarHBondContact ND1-N 3.02Å; H2849-Y2851 PolarHBondContact O-N 2.92Å; H2849-G2852 WeakPolarHBondContact O-CA 3.27Å; H2849-G2852 PolarHBondContact O-N 2.91Å; H2849-E2931 IonicContact CD2-OE2 2.97Å |
| 2850 | R | 69.5 | Low | 65.7 | Low | 112 Ų | 112 | 89.3 Ų | 89.3 | 42% | 0.423 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -55.2 | -43.5 | -175.7 | -159.9 | 174.4 | -155.3 | -156 | -1.4 | 113.4 | M2783 E2785 G2852 V2853 | M2783-R2850 HydrophobicContact CE-CB 4.43Å; M2783-R2850 WeakPolarHBondContact O-CB 3.4Å; M2783-R2850 PolarHBondContact O-N 3.18Å; E2785-R2850 VanDerWaalsContact OE1-CD 3.3Å; E2785-R2850 WeakPolarHBondContact OE1-CD 3.44Å; E2785-R2850 WeakPolarHBondContact OE1-CG 3.39Å; E2785-R2850 IonicContact OE1-CZ 3.43Å; E2785-R2850 VanDerWaalsContact OE1-CZ 3.26Å; E2785-R2850 IonicContact OE1-NE 3.55Å; E2785-R2850 PolarHBondContact OE1-NE 3.2Å; E2785-R2850 IonicContact OE1-NH2 2.75Å; E2785-R2850 PolarHBondContact OE1-NH2 3.33Å; R2850-G2852 VanDerWaalsContact C-N 3.28Å; R2850-G2852 PolarHBondContact O-N 2.89Å; R2850-V2853 PolarHBondContact O-N 2.79Å |
| 2851 | Y | 66 | Low | 63.7 | Low | 173.333 Ų | 173.333 | 91.7 Ų | 91.7 | 68% | 0.68 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -75.8 | -2.6 | 173.9 | -59.3 | -57 | 0 | 0 | 0 | 115.3 | M2783 H2849 V2853 | M2783-Y2851 HydrophobicContact CE-CD2 4.36Å; M2783-Y2851 HydrophobicContact CE-CE1 4.37Å; M2783-Y2851 HydrophobicContact CE-CE2 3.52Å; M2783-Y2851 VanDerWaalsContact CE-CE2 3.45Å; M2783-Y2851 WeakPolarHBondContact CE-OH 3.32Å; H2849-Y2851 VanDerWaalsContact C-N 3.31Å; H2849-Y2851 AromaticContact CE1-CD2 3.7Å; H2849-Y2851 AromaticContact ND1-CD2 4Å; H2849-Y2851 PolarHBondContact ND1-N 3.02Å; H2849-Y2851 PolarHBondContact O-N 2.92Å; Y2851-V2853 VanDerWaalsContact C-N 3.27Å; Y2851-V2853 PolarHBondContact O-N 3.45Å |
| 2852 | G | 60.2 | Low | 61.6 | Low | 22.6667 Ų | 22.6667 | 95.3 Ų | 95.3 | 23% | 0.234 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -71.2 | -19.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | H2849 R2850 R2854 | H2849-G2852 WeakPolarHBondContact O-CA 3.27Å; H2849-G2852 PolarHBondContact O-N 2.91Å; R2850-G2852 VanDerWaalsContact C-N 3.28Å; R2850-G2852 PolarHBondContact O-N 2.89Å; G2852-R2854 PolarHBondContact O-N 3Å |
| 2853 | V | 55.6 | Low | 59.7 | Low | 75 Ų | 75 | 98.3 Ų | 98.3 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -81.3 | 100.6 | 172.5 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | F2848 R2850 Y2851 S2855 | F2848-V2853 HydrophobicContact CD2-CG2 4.26Å; F2848-V2853 HydrophobicContact CE2-CG2 4.25Å; R2850-V2853 PolarHBondContact O-N 2.79Å; Y2851-V2853 VanDerWaalsContact C-N 3.27Å; Y2851-V2853 PolarHBondContact O-N 3.45Å; V2853-S2855 PolarHBondContact O-N 3.03Å; V2853-S2855 VanDerWaalsContact O-N 3.12Å |
| 2854 | R | 47.6 | Very low | 58.2 | Low | 208.333 Ų | 208.333 | 99.8 Ų | 99.8 | 79% | 0.786 | 50% | 0.501 | S | S | * | . | trans | -71.7 | 116.5 | 166.3 | -79 | -175.8 | 171.6 | -177.6 | -5.4 | 107.8 | G2852 L2856 | G2852-R2854 PolarHBondContact O-N 3Å; R2854-L2856 PolarHBondContact O-N 2.9Å | ||
| 2855 | S | 39.6 | Very low | 56.8 | Low | 114.333 Ų | 114.333 | 106.7 Ų | 106.7 | 80% | 0.8 | 53% | 0.526 | S | S | * | . | trans | -59.4 | 99.8 | 173.8 | 133.6 | 0 | 0 | 0 | 0 | 110.9 | V2853 | V2853-S2855 PolarHBondContact O-N 3.03Å; V2853-S2855 VanDerWaalsContact O-N 3.12Å | ||
| 2856 | L | 38.8 | Very low | 55.6 | Low | 167.333 Ų | 167.333 | 106.6 Ų | 106.6 | 88% | 0.876 | 53% | 0.525 | S | S | * | . | trans | -158.9 | 117.3 | 159.6 | -112.8 | 122.7 | 0 | 0 | 0 | 108.3 | R2854 | R2854-L2856 PolarHBondContact O-N 2.9Š| ||
| 2857 | G | 34.5 | Very low | 55.1 | Low | 73.3333 Ų | 73.3333 | 104.8 Ų | 104.8 | 76% | 0.756 | 52% | 0.519 | S | S | * | . | trans | 76.1 | 144.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | E2859 | G2857-E2859 VanDerWaalsContact C-N 3.26Å; G2857-E2859 PolarHBondContact O-N 2.79Å | ||
| 2858 | R | 31.5 | Very low | 55.1 | Low | 246 Ų | 246 | 106.5 Ų | 106.5 | 93% | 0.928 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -72.8 | 71.9 | 169.3 | -152.6 | 173.2 | 144.1 | 168.4 | -2.8 | 109.8 | ||
| 2859 | E | 32.3 | Very low | 55.3 | Low | 171.333 Ų | 171.333 | 107.3 Ų | 107.3 | 80% | 0.801 | 53% | 0.531 | S | S | * | . | trans | -163.2 | 117.7 | 173.7 | -94.9 | 154.5 | -138.9 | 0 | 0 | 113.4 | G2857 | G2857-E2859 VanDerWaalsContact C-N 3.26Å; G2857-E2859 PolarHBondContact O-N 2.79Å | ||
| 2860 | T | 39.5 | Very low | 55.9 | Low | 111.333 Ų | 111.333 | 106.1 Ų | 106.1 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | trans | 68.5 | 128.6 | 163.2 | 74.5 | 0 | 0 | 0 | 0 | 118.8 | S2862 | T2860-S2862 PolarHBondContact O-N 2.97Š| ||
| 2861 | M | 47.9 | Very low | 56.9 | Low | 91 Ų | 91 | 104.3 Ų | 104.3 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -63.2 | -2.3 | 172.3 | -67.8 | -79.8 | -94.1 | 0 | 0 | 114.1 | Y2787 E2863 R2864 | Y2787-M2861 HydrophobicContact CD1-CE 4.11Å; Y2787-M2861 HydrophobicContact CE1-CE 3.65Å; Y2787-M2861 VanDerWaalsContact CE1-CE 3.46Å; Y2787-M2861 HydrophobicContact CE2-CE 4.22Å; M2861-E2863 PolarHBondContact O-N 3.44Å; M2861-R2864 PolarHBondContact SD-NH1 2.96Å; M2861-R2864 PolarHBondContact SD-NH2 3.22Å |
| 2862 | S | 44.6 | Very low | 58.1 | Low | 107.667 Ų | 107.667 | 97.2 Ų | 97.2 | 75% | 0.753 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -80.4 | -17.7 | -162.5 | -159.9 | 0 | 0 | 0 | 0 | 115.2 | T2860 | T2860-S2862 PolarHBondContact O-N 2.97Š|
| 2863 | E | 44.7 | Very low | 59.5 | Low | 177 Ų | 177 | 104.1 Ų | 104.1 | 83% | 0.827 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -103.4 | 7.9 | -174.9 | -63.1 | -159.6 | 156.8 | 0 | 0 | 114.8 | M2861 R2865 | M2861-E2863 PolarHBondContact O-N 3.44Å; E2863-R2865 PolarHBondContact O-N 2.76Å |
| 2864 | R | 55.2 | Low | 61.2 | Low | 87.3333 Ų | 87.3333 | 102.7 Ų | 102.7 | 33% | 0.33 | 51% | 0.51 | S | S | . | . | trans | -68.4 | 123.3 | 179.2 | -63.4 | -176.1 | 179.2 | -178 | 1.1 | 110 | M2861 D2866 | M2861-R2864 PolarHBondContact SD-NH1 2.96Å; M2861-R2864 PolarHBondContact SD-NH2 3.22Å; R2864-D2866 WeakPolarHBondContact CB-OD1 3.25Å; R2864-D2866 PolarHBondContact O-N 2.83Å | ||
| 2865 | R | 59 | Low | 63.3 | Low | 156.667 Ų | 156.667 | 94 Ų | 94 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | trans | -75.5 | 73.5 | 171.2 | -67.9 | -170.9 | -166 | -174.5 | 2.9 | 109.5 | E2863 R2928 | E2863-R2865 PolarHBondContact O-N 2.76Å; R2865-R2928 PolarHBondContact O-NH1 2.94Å | ||
| 2866 | D | 65.3 | Low | 65.8 | Low | 32 Ų | 32 | 90.5 Ų | 90.5 | 17% | 0.171 | 46% | 0.455 | C | S | . | . | trans | -68.6 | 143.8 | -179.8 | -60.4 | -28.8 | 0 | 0 | 0 | 110.8 | Y2846 F2848 R2864 I2869 R2928 | Y2846-D2866 WeakPolarHBondContact CD1-OD2 3.31Å; F2848-D2866 WeakPolarHBondContact CB-OD1 3.32Å; R2864-D2866 WeakPolarHBondContact CB-OD1 3.25Å; R2864-D2866 PolarHBondContact O-N 2.83Å; D2866-I2869 HydrophobicContact CB-CD1 3.83Å; D2866-I2869 HydrophobicContact CB-CG1 3.61Å; D2866-I2869 WeakPolarHBondContact OD2-CD1 3.32Å; D2866-R2928 PolarHBondContact O-NH1 3.28Å | ||
| 2867 | A | 76.7 | Confident | 68.4 | Low | 2.66667 Ų | 2.66667 | 84.3 Ų | 84.3 | 2% | 0.022 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -86.1 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I2847 F2924 D2925 R2928 I2932 | I2847-A2867 WeakPolarHBondContact O-CB 3.31Å; I2847-A2867 PolarHBondContact O-N 3.13Å; A2867-F2924 WeakPolarHBondContact O-CA 3.4Å; A2867-D2925 PolarHBondContact O-N 2.78Å; A2867-D2925 VanDerWaalsContact O-N 3.11Å; A2867-R2928 HydrophobicContact CB-CB 3.92Å; A2867-R2928 HydrophobicContact CB-CG 4.49Å; A2867-I2932 HydrophobicContact CB-CD1 4.29Å; A2867-I2932 HydrophobicContact CB-CG1 3.82Å; A2867-I2932 WeakPolarHBondContact O-CD1 3.37Å |
| 2868 | F | 86.1 | Confident | 71.2 | Confident | 47.3333 Ų | 47.3333 | 83.6 Ų | 83.6 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 131 | -178.9 | -175.4 | -113.3 | 0 | 0 | 0 | 110 | L2845 Y2846 I2847 V2870 L2922 K2923 F2924 I2932 | L2845-F2868 HydrophobicContact CD2-CD1 3.8Å; L2845-F2868 HydrophobicContact CD2-CE1 3.77Å; Y2846-F2868 CarbonylContact C-O 3.55Å; Y2846-F2868 WeakPolarHBondContact CA-O 3.37Å; I2847-F2868 HydrophobicContact CB-CB 4.07Å; I2847-F2868 HydrophobicContact CD1-CB 4.29Å; I2847-F2868 HydrophobicContact CD1-CD1 3.75Å; I2847-F2868 HydrophobicContact CD1-CE1 4.48Å; I2847-F2868 HydrophobicContact CD1-CG 4.39Å; I2847-F2868 HydrophobicContact CG1-CB 4.35Å; I2847-F2868 HydrophobicContact CG1-CD1 4.13Å; I2847-F2868 PolarHBondContact N-O 2.86Å; I2847-F2868 PolarHBondContact O-N 3.09Å; F2868-V2870 HydrophobicContact CD1-CG2 4.19Å; F2868-V2870 HydrophobicContact CE1-CB 4.47Å; F2868-V2870 HydrophobicContact CE1-CG2 3.35Å; F2868-V2870 HydrophobicContact CE2-CG2 4.15Å; F2868-V2870 HydrophobicContact CZ-CG2 3.31Å; F2868-V2870 VanDerWaalsContact CZ-CG2 3.44Å; F2868-L2922 HydrophobicContact CE2-CD1 3.89Å; F2868-L2922 HydrophobicContact CZ-CD1 3.98Å; F2868-K2923 CarbonylContact C-O 3.48Å; F2868-K2923 WeakPolarHBondContact CA-O 3.44Å; F2868-F2924 HydrophobicContact CD2-CB 3.69Å; F2868-F2924 HydrophobicContact CE2-CB 4.24Å; F2868-I2932 HydrophobicContact CB-CD1 3.94Å; F2868-I2932 HydrophobicContact CB-CG1 4.02Å; F2868-I2932 HydrophobicContact CB-CG2 4.19Å; F2868-I2932 HydrophobicContact CD2-CD1 4.5Å; F2868-I2932 HydrophobicContact CG-CG2 4.3Å |
| 2869 | I | 88.2 | Confident | 74 | Confident | 29.6667 Ų | 29.6667 | 75.4 Ų | 75.4 | 15% | 0.152 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.6 | 175.9 | -51.7 | 178.4 | 0 | 0 | 0 | 108.1 | L2845 Y2846 D2866 Q2871 L2922 K2923 | L2845-I2869 CarbonylContact O-C 3.56Å; L2845-I2869 WeakPolarHBondContact O-CA 3.41Å; Y2846-I2869 HydrophobicContact CD1-CB 4.36Å; Y2846-I2869 HydrophobicContact CD1-CD1 4.32Å; Y2846-I2869 HydrophobicContact CD1-CG1 3.98Å; Y2846-I2869 HydrophobicContact CD1-CG2 3.77Å; Y2846-I2869 HydrophobicContact CE1-CD1 4.5Å; Y2846-I2869 HydrophobicContact CE1-CG1 4.47Å; Y2846-I2869 HydrophobicContact CE1-CG2 3.64Å; D2866-I2869 HydrophobicContact CB-CD1 3.83Å; D2866-I2869 HydrophobicContact CB-CG1 3.61Å; D2866-I2869 WeakPolarHBondContact OD2-CD1 3.32Å; I2869-Q2871 HydrophobicContact CG2-CG 3.88Å; I2869-L2922 CarbonylContact O-C 3.52Å; I2869-L2922 WeakPolarHBondContact O-CA 3.31Å; I2869-K2923 HydrophobicContact CB-CB 4.14Å; I2869-K2923 HydrophobicContact CB-CG 4.5Å; I2869-K2923 HydrophobicContact CD1-CB 4.47Å; I2869-K2923 HydrophobicContact CD1-CD 4.46Å; I2869-K2923 HydrophobicContact CG1-CB 4.49Å; I2869-K2923 PolarHBondContact N-O 3.16Å; I2869-K2923 PolarHBondContact O-N 3.02Å |
| 2870 | V | 90.8 | Very high | 76.6 | Confident | 22.6667 Ų | 22.6667 | 68.1 Ų | 68.1 | 14% | 0.137 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.2 | 166.6 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | F2843 S2844 L2845 F2868 V2872 T2921 L2922 | F2843-V2870 HydrophobicContact CD1-CG1 4.32Å; F2843-V2870 HydrophobicContact CE1-CB 4.29Å; F2843-V2870 HydrophobicContact CE1-CG1 4Å; S2844-V2870 CarbonylContact C-O 3.53Å; S2844-V2870 VanDerWaalsContact CA-O 3.24Å; S2844-V2870 WeakPolarHBondContact CA-O 3.11Å; S2844-V2870 WeakPolarHBondContact CB-O 3.27Å; L2845-V2870 HydrophobicContact CB-CB 4.28Å; L2845-V2870 HydrophobicContact CD2-CG2 4.31Å; L2845-V2870 PolarHBondContact N-O 2.89Å; L2845-V2870 PolarHBondContact O-N 2.79Å; F2868-V2870 HydrophobicContact CD1-CG2 4.19Å; F2868-V2870 HydrophobicContact CE1-CB 4.47Å; F2868-V2870 HydrophobicContact CE1-CG2 3.35Å; F2868-V2870 HydrophobicContact CE2-CG2 4.15Å; F2868-V2870 HydrophobicContact CZ-CG2 3.31Å; F2868-V2870 VanDerWaalsContact CZ-CG2 3.44Å; V2870-V2872 HydrophobicContact CG1-CG2 4.13Å; V2870-T2921 WeakPolarHBondContact CA-O 3.26Å; V2870-L2922 HydrophobicContact CG1-CG 4.37Å; V2870-L2922 HydrophobicContact CG2-CD1 3.72Å; V2870-L2922 HydrophobicContact CG2-CD2 4.05Å; V2870-L2922 HydrophobicContact CG2-CG 4.25Å |
| 2871 | Q | 91 | Very high | 78.7 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.4 | 171.7 | -54.2 | 174.2 | -46.4 | 0 | 0 | 108.6 | F2843 Y2846 I2869 A2920 T2921 | F2843-Q2871 CarbonylContact O-C 3.53Å; F2843-Q2871 WeakPolarHBondContact O-CA 3.22Å; Y2846-Q2871 PolarHBondContact OH-NE2 3.18Å; Y2846-Q2871 VanDerWaalsContact OH-NE2 3.1Å; I2869-Q2871 HydrophobicContact CG2-CG 3.88Å; Q2871-A2920 CarbonylContact O-C 3.55Å; Q2871-A2920 WeakPolarHBondContact O-CA 3.33Å; Q2871-T2921 WeakPolarHBondContact CB-OG1 3.36Å; Q2871-T2921 PolarHBondContact N-O 2.81Å; Q2871-T2921 PolarHBondContact O-N 2.77Å; Q2871-T2921 PolarHBondContact OE1-OG1 3.19Å |
| 2872 | V | 90.2 | Very high | 80.1 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.5 | 176.4 | -169.5 | 0 | 0 | 0 | 0 | 108.6 | E2842 F2843 V2870 V2875 I2917 E2919 A2920 | E2842-V2872 CarbonylContact C-O 3.44Å; E2842-V2872 VanDerWaalsContact CA-O 3.27Å; E2842-V2872 WeakPolarHBondContact CA-O 3.35Å; E2842-V2872 PolarHBondContact N-O 3.43Å; F2843-V2872 HydrophobicContact CB-CB 4.29Å; F2843-V2872 HydrophobicContact CD1-CB 4.39Å; F2843-V2872 HydrophobicContact CD1-CG2 4.14Å; F2843-V2872 PolarHBondContact N-O 3.06Å; F2843-V2872 VanDerWaalsContact N-O 3.11Å; F2843-V2872 PolarHBondContact O-N 2.87Å; V2870-V2872 HydrophobicContact CG1-CG2 4.13Å; V2872-V2875 HydrophobicContact CB-CG2 4.31Å; V2872-V2875 HydrophobicContact CG1-CG2 3.41Å; V2872-V2875 VanDerWaalsContact CG1-CG2 3.5Å; V2872-I2917 HydrophobicContact CG1-CG2 4.14Å; V2872-E2919 CarbonylContact C-O 3.59Å; V2872-E2919 WeakPolarHBondContact CA-O 3.33Å; V2872-A2920 HydrophobicContact CG1-CB 4.29Å; V2872-A2920 HydrophobicContact CG2-CB 4.18Å |
| 2873 | R | 90.8 | Very high | 81.3 | Confident | 168.667 Ų | 168.667 | 60.5 Ų | 60.5 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | -50.9 | -175 | -179.5 | -177.4 | -177.1 | 129.8 | 4.9 | 111.8 | S2841 E2842 E2919 | S2841-R2873 CarbonylContact C-O 3.51Å; S2841-R2873 WeakPolarHBondContact CA-O 3.33Å; E2842-R2873 PolarHBondContact N-O 3.02Å; R2873-E2919 HydrophobicContact CB-CB 3.98Å; R2873-E2919 WeakPolarHBondContact CB-O 3.28Å; R2873-E2919 PolarHBondContact N-O 3.1Å; R2873-E2919 IonicContact NH1-OE2 3.92Å |
| 2874 | S | 90.5 | Very high | 82.3 | Confident | 44.3333 Ų | 44.3333 | 56.9 Ų | 56.9 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 147.1 | 169.3 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | L2840 S2918 | L2840-S2874 CarbonylContact O-C 3.52Å; L2840-S2874 WeakPolarHBondContact O-CA 3.37Å; L2840-S2874 WeakPolarHBondContact O-CB 3.41Å; S2874-S2918 PolarHBondContact N-OG 3.06Å; S2874-S2918 PolarHBondContact O-N 3.1Å; S2874-S2918 PolarHBondContact O-OG 2.87Å; S2874-S2918 VanDerWaalsContact OG-CB 3.31Å; S2874-S2918 WeakPolarHBondContact OG-CB 3.28Å; S2874-S2918 PolarHBondContact OG-OG 2.97Å |
| 2875 | V | 91.7 | Very high | 82.4 | Confident | 26.6667 Ų | 26.6667 | 56.5 Ų | 56.5 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.6 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | T2839 L2840 V2872 I2877 H2916 I2917 | T2839-V2875 CarbonylContact C-O 3.54Å; T2839-V2875 WeakPolarHBondContact CA-O 3.31Å; L2840-V2875 HydrophobicContact CB-CB 4.35Å; L2840-V2875 PolarHBondContact N-O 2.96Å; L2840-V2875 PolarHBondContact O-N 3.05Å; V2872-V2875 HydrophobicContact CB-CG2 4.31Å; V2872-V2875 HydrophobicContact CG1-CG2 3.41Å; V2872-V2875 VanDerWaalsContact CG1-CG2 3.5Å; V2875-I2877 HydrophobicContact CG1-CD1 4.11Å; V2875-I2877 HydrophobicContact CG1-CG1 3.95Å; V2875-H2916 CarbonylContact C-O 3.5Å; V2875-H2916 WeakPolarHBondContact CA-O 3.38Å; V2875-I2917 HydrophobicContact CG1-CG1 4.25Å; V2875-I2917 HydrophobicContact CG2-CG1 4.32Å; V2875-I2917 HydrophobicContact CG2-CG2 4.48Å |
| 2876 | S | 92.5 | Very high | 82.2 | Confident | 39.6667 Ų | 39.6667 | 51.9 Ų | 51.9 | 28% | 0.277 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.9 | 166.2 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | L2838 A2915 H2916 | L2838-S2876 CarbonylContact O-C 3.58Å; L2838-S2876 VanDerWaalsContact O-CA 3.31Å; L2838-S2876 WeakPolarHBondContact O-CA 3.44Å; S2876-A2915 CarbonylContact O-C 3.56Å; S2876-A2915 VanDerWaalsContact O-CA 3.25Å; S2876-A2915 WeakPolarHBondContact O-CA 3.42Å; S2876-H2916 PolarHBondContact N-O 3Å; S2876-H2916 PolarHBondContact O-N 3.03Å; S2876-H2916 WeakPolarHBondContact OG-CB 3.41Å |
| 2877 | I | 93 | Very high | 81.1 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 115.9 | -180 | -59.6 | 169.2 | 0 | 0 | 0 | 106.9 | T2837 L2838 V2875 M2879 V2913 S2914 A2915 | T2837-I2877 CarbonylContact C-O 3.56Å; T2837-I2877 WeakPolarHBondContact CA-O 3.49Å; L2838-I2877 HydrophobicContact CB-CB 4.28Å; L2838-I2877 HydrophobicContact CD2-CB 4.4Å; L2838-I2877 HydrophobicContact CD2-CD1 4.1Å; L2838-I2877 PolarHBondContact N-O 3.02Å; L2838-I2877 PolarHBondContact O-N 2.96Å; V2875-I2877 HydrophobicContact CG1-CD1 4.11Å; V2875-I2877 HydrophobicContact CG1-CG1 3.95Å; I2877-M2879 HydrophobicContact CG2-CE 3.62Å; I2877-M2879 HydrophobicContact CG2-CG 4.05Å; I2877-V2913 HydrophobicContact CG2-CG1 4.3Å; I2877-S2914 CarbonylContact C-O 3.5Å; I2877-S2914 VanDerWaalsContact CA-O 3.31Å; I2877-S2914 WeakPolarHBondContact CA-O 3.29Å; I2877-A2915 HydrophobicContact CG1-CB 4.1Å |
| 2878 | N | 92.5 | Very high | 79.7 | Confident | 60.3333 Ų | 60.3333 | 56.2 Ų | 56.2 | 32% | 0.323 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.7 | 173 | -88.3 | -22.4 | 0 | 0 | 0 | 108.3 | V2835 T2836 T2837 V2913 S2914 | V2835-N2878 VanDerWaalsContact CG1-OD1 3.24Å; V2835-N2878 WeakPolarHBondContact CG1-OD1 3.48Å; T2836-N2878 CarbonylContact O-C 3.52Å; T2836-N2878 WeakPolarHBondContact O-CA 3.39Å; T2837-N2878 WeakPolarHBondContact CB-OD1 3.49Å; T2837-N2878 VanDerWaalsContact CG2-OD1 3.26Å; T2837-N2878 WeakPolarHBondContact CG2-OD1 3.34Å; T2837-N2878 PolarHBondContact OG1-OD1 2.98Å; N2878-V2913 CarbonylContact O-C 3.54Å; N2878-V2913 VanDerWaalsContact O-CA 3.3Å; N2878-V2913 WeakPolarHBondContact O-CA 3.24Å; N2878-S2914 WeakPolarHBondContact CB-OG 3.46Å; N2878-S2914 PolarHBondContact N-O 3Å; N2878-S2914 PolarHBondContact O-N 3.04Å |
| 2879 | M | 90.9 | Very high | 77.4 | Confident | 72.3333 Ų | 72.3333 | 60.2 Ų | 60.2 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.7 | 174.3 | -52.4 | -165.7 | -178.1 | 0 | 0 | 108.5 | V2835 T2836 I2877 F2911 S2912 V2913 | V2835-M2879 CarbonylContact C-O 3.53Å; V2835-M2879 WeakPolarHBondContact CA-O 3.34Å; T2836-M2879 PolarHBondContact N-O 3.04Å; T2836-M2879 PolarHBondContact O-N 3.22Å; I2877-M2879 HydrophobicContact CG2-CE 3.62Å; I2877-M2879 HydrophobicContact CG2-CG 4.05Å; M2879-F2911 HydrophobicContact CB-CE2 4.33Å; M2879-F2911 HydrophobicContact SD-CZ 4.35Å; M2879-S2912 CarbonylContact C-O 3.5Å; M2879-S2912 WeakPolarHBondContact CA-O 3.28Å; M2879-V2913 HydrophobicContact CB-CG2 4.33Å; M2879-V2913 HydrophobicContact CE-CG1 4.45Å; M2879-V2913 HydrophobicContact CG-CG1 4.21Å; M2879-V2913 HydrophobicContact CG-CG2 3.98Å; M2879-V2913 HydrophobicContact SD-CG2 4.33Å |
| 2880 | A | 86.4 | Confident | 75 | Confident | 19.3333 Ų | 19.3333 | 65 Ų | 65 | 16% | 0.16 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L2833 M2834 V2835 F2911 S2912 | L2833-A2880 HydrophobicContact CD1-CB 4.48Å; M2834-A2880 CarbonylContact O-C 3.54Å; M2834-A2880 VanDerWaalsContact O-CA 3.28Å; M2834-A2880 WeakPolarHBondContact O-CA 3.21Å; V2835-A2880 HydrophobicContact CG1-CB 4.45Å; V2835-A2880 HydrophobicContact CG2-CB 4.15Å; A2880-F2911 CarbonylContact O-C 3.54Å; A2880-F2911 VanDerWaalsContact O-CA 3.3Å; A2880-F2911 WeakPolarHBondContact O-CA 3.35Å; A2880-F2911 WeakPolarHBondContact O-CD2 3.37Å; A2880-S2912 PolarHBondContact N-O 2.97Å; A2880-S2912 PolarHBondContact O-N 2.85Å |
| 2881 | R | 85.1 | Confident | 72.1 | Confident | 118.333 Ų | 118.333 | 70.1 Ų | 70.1 | 45% | 0.447 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.2 | 173.4 | 179.4 | -179.3 | 168.4 | -172.7 | -5.9 | 108.6 | L2833 M2834 V2909 Q2910 F2911 | L2833-R2881 WeakPolarHBondContact CA-O 3.41Å; M2834-R2881 HydrophobicContact CB-CB 4.47Å; M2834-R2881 HydrophobicContact CE-CB 4.25Å; M2834-R2881 PolarHBondContact N-O 3.11Å; M2834-R2881 PolarHBondContact O-N 3.02Å; R2881-V2909 HydrophobicContact CG-CG1 4.37Å; R2881-Q2910 CarbonylContact C-O 3.51Å; R2881-Q2910 WeakPolarHBondContact CA-O 3.39Å; R2881-F2911 HydrophobicContact CB-CD2 4.3Å |
| 2882 | S | 77.7 | Confident | 69.3 | Low | 17 Ų | 17 | 75.3 Ų | 75.3 | 12% | 0.119 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.3 | 170.3 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | G2832 V2909 Q2910 | G2832-S2882 WeakPolarHBondContact O-CA 3.38Å; G2832-S2882 PolarHBondContact O-OG 3.16Å; S2882-V2909 WeakPolarHBondContact O-CA 3.46Å; S2882-Q2910 PolarHBondContact N-O 3.22Å; S2882-Q2910 PolarHBondContact O-N 2.9Å |
| 2883 | S | 69.3 | Low | 66.4 | Low | 14.3333 Ų | 14.3333 | 80.6 Ų | 80.6 | 10% | 0.1 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.6 | 172.2 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | E2757 S2831 G2832 | E2757-S2883 PolarHBondContact OE1-OG 3.24Å; S2831-S2883 VanDerWaalsContact CA-O 3.25Å; S2831-S2883 WeakPolarHBondContact CA-O 3.37Å; S2831-S2883 VanDerWaalsContact CB-O 3.23Å; S2831-S2883 WeakPolarHBondContact CB-O 3.28Å; G2832-S2883 PolarHBondContact O-N 3.05Å; G2832-S2883 VanDerWaalsContact O-N 3.13Å |
| 2884 | R | 64.9 | Low | 63.8 | Low | 102 Ų | 102 | 78 Ų | 78 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.3 | 174.1 | -63.5 | -174.8 | -175.4 | 178.1 | 0.8 | 109.5 | R2908 | R2884-R2908 PolarHBondContact N-O 3.15Å; R2884-R2908 PolarHBondContact O-N 3.01Å |
| 2885 | Y | 57.8 | Low | 61 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130 | 168.1 | -63.3 | -82.2 | 0 | 0 | 0 | 108.8 | E2757 L2828 P2829 | E2757-Y2885 PolarHBondContact OE2-OH 2.77Å; L2828-Y2885 WeakPolarHBondContact CD2-O 3.45Å; P2829-Y2885 HydrophobicContact CB-CD2 4.47Å; P2829-Y2885 HydrophobicContact CG-CD2 3.93Å; P2829-Y2885 HydrophobicContact CG-CE2 4.45Å; P2829-Y2885 HydrophobicContact CG-CG 4.19Å; P2829-Y2885 WeakPolarHBondContact O-CD2 3.19Å |
| 2886 | L | 54 | Low | 58.2 | Low | 59 Ų | 59 | 87.9 Ų | 87.9 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.7 | 179.2 | -66.5 | 174 | 0 | 0 | 0 | 109.1 | F2888 G2906 R2908 | L2886-F2888 HydrophobicContact CB-CE2 4.44Å; L2886-F2888 HydrophobicContact CB-CZ 4.5Å; L2886-F2888 HydrophobicContact CD1-CZ 4.47Å; L2886-G2906 PolarHBondContact N-O 2.97Å; L2886-G2906 PolarHBondContact O-N 3.21Å; L2886-R2908 HydrophobicContact CD1-CB 3.96Å; L2886-R2908 HydrophobicContact CD1-CG 4.49Å |
| 2887 | A | 43.4 | Very low | 55.6 | Low | 72 Ų | 72 | 93.2 Ų | 93.2 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | M2905 | A2887-M2905 HydrophobicContact CB-SD 4.32Å |
| 2888 | F | 46.4 | Very low | 52.7 | Low | 53.3333 Ų | 53.3333 | 96.8 Ų | 96.8 | 23% | 0.234 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.9 | 173.8 | -68 | -77 | 0 | 0 | 0 | 109.6 | L2886 E2904 Q3023 | L2886-F2888 HydrophobicContact CB-CE2 4.44Å; L2886-F2888 HydrophobicContact CB-CZ 4.5Å; L2886-F2888 HydrophobicContact CD1-CZ 4.47Å; F2888-E2904 PolarHBondContact N-O 3.04Å; F2888-E2904 VanDerWaalsContact N-O 3.14Å; F2888-Q3023 VanDerWaalsContact CZ-CD 3.5Å; F2888-Q3023 HydrophobicContact CZ-CG 4.13Å |
| 2889 | H | 38.4 | Very low | 50 | Low | 131 Ų | 131 | 101.6 Ų | 101.6 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | trans | -124.2 | 95.7 | 172.7 | -161.4 | -78.3 | 0 | 0 | 0 | 108 | N2891 | H2889-N2891 PolarHBondContact CE1-OD1 3.04Å; H2889-N2891 PolarHBondContact ND1-OD1 3.15Å | ||
| 2890 | E | 37.7 | Very low | 47.2 | Very low | 131 Ų | 131 | 102.9 Ų | 102.9 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | trans | -105.3 | 113.1 | 173.1 | -80.9 | -173.5 | 162.5 | 0 | 0 | 109.5 | F2892 R3066 | E2890-F2892 PolarHBondContact O-N 3.23Å; E2890-F2892 VanDerWaalsContact O-N 3.12Å; E2890-R3066 VanDerWaalsContact CD-NH1 3.34Å; E2890-R3066 IonicContact OE1-CZ 2.88Å; E2890-R3066 IonicContact OE1-NH1 2.85Å; E2890-R3066 PolarHBondContact OE1-NH1 2.79Å; E2890-R3066 VanDerWaalsContact OE1-NH1 3.12Å; E2890-R3066 IonicContact OE2-CZ 3.32Å; E2890-R3066 VanDerWaalsContact OE2-CZ 3.24Å; E2890-R3066 IonicContact OE2-NH1 3.28Å; E2890-R3066 PolarHBondContact OE2-NH1 3.37Å; E2890-R3066 IonicContact OE2-NH2 3.58Å; E2890-R3066 PolarHBondContact OE2-NH2 3.13Å | ||
| 2891 | N | 29.4 | Very low | 44.8 | Very low | 130 Ų | 130 | 107.3 Ų | 107.3 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | trans | -77.7 | 96.7 | 172.3 | -66 | -6.9 | 0 | 0 | 0 | 109 | H2889 | H2889-N2891 PolarHBondContact CE1-OD1 3.04Å; H2889-N2891 PolarHBondContact ND1-OD1 3.15Å | ||
| 2892 | F | 32.9 | Very low | 42.4 | Very low | 184 Ų | 184 | 106.7 Ų | 106.7 | 81% | 0.807 | 59% | 0.588 | S | S | * | * | trans | -117.2 | 82.2 | 167.6 | -137.1 | -84.3 | 0 | 0 | 0 | 109.6 | E2890 T2894 | E2890-F2892 PolarHBondContact O-N 3.23Å; E2890-F2892 VanDerWaalsContact O-N 3.12Å; F2892-T2894 HydrophobicContact CD1-CG2 4.18Å; F2892-T2894 HydrophobicContact CE1-CG2 4.1Å; F2892-T2894 PolarHBondContact O-N 3.29Å | ||
| 2893 | T | 30.1 | Very low | 40.5 | Very low | 133.667 Ų | 133.667 | 111.8 Ų | 111.8 | 82% | 0.82 | 61% | 0.614 | S | S | * | * | trans | -81.3 | 98.8 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2894 | T | 35.2 | Very low | 39.4 | Very low | 114.667 Ų | 114.667 | 114.3 Ų | 114.3 | 70% | 0.703 | 62% | 0.624 | S | S | * | * | trans | -79.6 | 127 | 153.2 | 37.9 | 0 | 0 | 0 | 0 | 107.8 | F2892 G2896 | F2892-T2894 HydrophobicContact CD1-CG2 4.18Å; F2892-T2894 HydrophobicContact CE1-CG2 4.1Å; F2892-T2894 PolarHBondContact O-N 3.29Å; T2894-G2896 PolarHBondContact O-N 3.29Å; T2894-G2896 VanDerWaalsContact O-N 3.13Å | ||
| 2895 | E | 32.4 | Very low | 38.7 | Very low | 204 Ų | 204 | 113.9 Ų | 113.9 | 95% | 0.953 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 120.6 | 177 | -61.7 | -175.8 | 153 | 0 | 0 | 110.2 | ||
| 2896 | G | 33.2 | Very low | 38.7 | Very low | 74.3333 Ų | 74.3333 | 110.3 Ų | 110.3 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.5 | -36.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | T2894 | T2894-G2896 PolarHBondContact O-N 3.29Å; T2894-G2896 VanDerWaalsContact O-N 3.13Å |
| 2897 | D | 36.4 | Very low | 39.4 | Very low | 150.667 Ų | 150.667 | 108.9 Ų | 108.9 | 81% | 0.806 | 61% | 0.61 | S | S | * | * | trans | -134.8 | 117.1 | -167.2 | -116.7 | -21.8 | 0 | 0 | 0 | 113.8 | H2899 | D2897-H2899 PolarHBondContact O-N 3.19Š| ||
| 2898 | P | 33.7 | Very low | 40.7 | Very low | 111.667 Ų | 111.667 | 109.9 Ų | 109.9 | 73% | 0.725 | 60% | 0.598 | S | S | * | * | trans | -98.4 | 56.2 | -173.3 | 39.1 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 2899 | H | 35.2 | Very low | 42.3 | Very low | 162.667 Ų | 162.667 | 109.4 Ų | 109.4 | 75% | 0.753 | 60% | 0.6 | S | S | * | * | trans | -136.1 | 112.7 | 175 | -73.6 | -61.1 | 0 | 0 | 0 | 114.5 | D2897 | D2897-H2899 PolarHBondContact O-N 3.19Š| ||
| 2900 | S | 32.8 | Very low | 44.5 | Very low | 98.6667 Ų | 98.6667 | 106.2 Ų | 106.2 | 69% | 0.69 | 59% | 0.585 | S | S | * | * | trans | 65.1 | 116.1 | 162.5 | 67.1 | 0 | 0 | 0 | 0 | 119.6 | V2902 | S2900-V2902 PolarHBondContact O-N 2.9Š| ||
| 2901 | P | 34.4 | Very low | 46.9 | Very low | 112.333 Ų | 112.333 | 103.4 Ų | 103.4 | 73% | 0.729 | 57% | 0.571 | S | S | * | * | trans | -74.5 | 118.4 | 162.4 | 31 | -30.3 | 0 | 0 | 0 | 109.4 | N2903 | P2901-N2903 PolarHBondContact O-N 2.99Š| ||
| 2902 | V | 35 | Very low | 49.8 | Very low | 104.333 Ų | 104.333 | 99.3 Ų | 99.3 | 63% | 0.632 | 55% | 0.552 | S | S | * | * | trans | -85.7 | 108.1 | 175 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | S2900 E2904 | S2900-V2902 PolarHBondContact O-N 2.9Å; V2902-E2904 HydrophobicContact CG1-CG 4.31Å; V2902-E2904 PolarHBondContact O-N 2.82Å; V2902-E2904 VanDerWaalsContact O-N 3.15Å | ||
| 2903 | N | 38.1 | Very low | 52.6 | Low | 124.333 Ų | 124.333 | 91.7 Ų | 91.7 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | trans | -68.7 | 98.6 | 173 | -78.1 | -24.7 | 0 | 0 | 0 | 110.2 | P2901 M2905 | P2901-N2903 PolarHBondContact O-N 2.99Å; N2903-M2905 PolarHBondContact O-N 3.09Å | ||
| 2904 | E | 45.2 | Very low | 55.6 | Low | 67.6667 Ų | 67.6667 | 87.8 Ų | 87.8 | 32% | 0.316 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 104 | 173 | -71.2 | -174.6 | 165.5 | 0 | 0 | 110.3 | F2888 V2902 R3066 | F2888-E2904 PolarHBondContact N-O 3.04Å; F2888-E2904 VanDerWaalsContact N-O 3.14Å; V2902-E2904 HydrophobicContact CG1-CG 4.31Å; V2902-E2904 PolarHBondContact O-N 2.82Å; V2902-E2904 VanDerWaalsContact O-N 3.15Å; E2904-R3066 IonicContact OE2-NH2 3.34Å |
| 2905 | M | 50.2 | Low | 58.4 | Low | 93 Ų | 93 | 83.3 Ų | 83.3 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 132.8 | 165.8 | -157 | 82.7 | 174.3 | 0 | 0 | 108.8 | L2828 A2887 N2903 S3020 | L2828-M2905 HydrophobicContact CD2-CE 3.97Å; L2828-M2905 HydrophobicContact CG-CE 4.13Å; A2887-M2905 HydrophobicContact CB-SD 4.32Å; N2903-M2905 PolarHBondContact O-N 3.09Å; M2905-S3020 WeakPolarHBondContact O-CB 3.22Å |
| 2906 | G | 58.5 | Low | 61.3 | Low | 3 Ų | 3 | 77.1 Ų | 77.1 | 3% | 0.031 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L2886 G3021 | L2886-G2906 PolarHBondContact N-O 2.97Å; L2886-G2906 PolarHBondContact O-N 3.21Å; G2906-G3021 CarbonylContact C-O 3.53Å; G2906-G3021 WeakPolarHBondContact CA-O 3.46Å |
| 2907 | S | 68.1 | Low | 64.2 | Low | 30.3333 Ų | 30.3333 | 75.5 Ų | 75.5 | 21% | 0.212 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.7 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | G3021 W3022 Q3023 | S2907-G3021 PolarHBondContact N-O 3.03Å; S2907-W3022 CarbonylContact O-C 3.51Å; S2907-W3022 VanDerWaalsContact O-CA 3.29Å; S2907-W3022 WeakPolarHBondContact O-CA 3.36Å; S2907-Q3023 PolarHBondContact O-N 3.08Å |
| 2908 | R | 71.2 | Confident | 66.8 | Low | 92.3333 Ų | 92.3333 | 68.8 Ų | 68.8 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.9 | 173.2 | -175.6 | 175.8 | 177.7 | 176.9 | 1.6 | 109.7 | R2884 L2886 Q3023 F3025 | R2884-R2908 PolarHBondContact N-O 3.15Å; R2884-R2908 PolarHBondContact O-N 3.01Å; L2886-R2908 HydrophobicContact CD1-CB 3.96Å; L2886-R2908 HydrophobicContact CD1-CG 4.49Å; R2908-Q3023 CarbonylContact C-O 3.5Å; R2908-Q3023 WeakPolarHBondContact CA-O 3.36Å; R2908-Q3023 HydrophobicContact CG-CB 4.37Å; R2908-F3025 HydrophobicContact CG-CD2 4.02Å; R2908-F3025 HydrophobicContact CG-CE2 3.98Å; R2908-F3025 VanDerWaalsContact CZ-CE2 3.47Å |
| 2909 | V | 79.4 | Confident | 69.6 | Low | 43.3333 Ų | 43.3333 | 66 Ų | 66 | 26% | 0.263 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.9 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | R2881 S2882 Q3023 A3024 F3025 | R2881-V2909 HydrophobicContact CG-CG1 4.37Å; S2882-V2909 WeakPolarHBondContact O-CA 3.46Å; V2909-Q3023 PolarHBondContact N-O 3.09Å; V2909-A3024 CarbonylContact O-C 3.55Å; V2909-A3024 WeakPolarHBondContact O-CA 3.38Å; V2909-F3025 PolarHBondContact O-N 2.99Å |
| 2910 | Q | 84.8 | Confident | 72.4 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127 | 171.9 | -148.6 | 177.1 | -34.3 | 0 | 0 | 109.4 | R2881 S2882 F3025 | R2881-Q2910 CarbonylContact C-O 3.51Å; R2881-Q2910 WeakPolarHBondContact CA-O 3.39Å; S2882-Q2910 PolarHBondContact N-O 3.22Å; S2882-Q2910 PolarHBondContact O-N 2.9Å; Q2910-F3025 CarbonylContact C-O 3.57Å; Q2910-F3025 WeakPolarHBondContact CA-O 3.41Å; Q2910-F3025 HydrophobicContact CG-CB 4.38Å; Q2910-F3025 HydrophobicContact CG-CD1 4.31Å |
| 2911 | F | 89.1 | Confident | 75.2 | Confident | 72.6667 Ų | 72.6667 | 55.4 Ų | 55.4 | 32% | 0.319 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.2 | 176.3 | -177.9 | -111.9 | 0 | 0 | 0 | 108.7 | M2879 A2880 R2881 V2913 F3025 V3026 I3027 | M2879-F2911 HydrophobicContact CB-CE2 4.33Å; M2879-F2911 HydrophobicContact SD-CZ 4.35Å; A2880-F2911 CarbonylContact O-C 3.54Å; A2880-F2911 VanDerWaalsContact O-CA 3.3Å; A2880-F2911 WeakPolarHBondContact O-CA 3.35Å; A2880-F2911 WeakPolarHBondContact O-CD2 3.37Å; R2881-F2911 HydrophobicContact CB-CD2 4.3Å; F2911-V2913 HydrophobicContact CD1-CG2 4.1Å; F2911-V2913 HydrophobicContact CE1-CG2 3.3Å; F2911-V2913 VanDerWaalsContact CE1-CG2 3.47Å; F2911-V2913 HydrophobicContact CE2-CG2 4.19Å; F2911-V2913 HydrophobicContact CZ-CG2 3.35Å; F2911-V2913 VanDerWaalsContact CZ-CG2 3.42Å; F2911-F3025 PolarHBondContact N-O 2.91Å; F2911-V3026 HydrophobicContact CB-CG2 4.4Å; F2911-V3026 HydrophobicContact CD1-CG1 4.14Å; F2911-V3026 HydrophobicContact CD1-CG2 4.46Å; F2911-V3026 CarbonylContact O-C 3.58Å; F2911-V3026 VanDerWaalsContact O-CA 3.31Å; F2911-V3026 WeakPolarHBondContact O-CA 3.35Å; F2911-I3027 PolarHBondContact O-N 2.78Å |
| 2912 | S | 89.8 | Confident | 78 | Confident | 42.6667 Ų | 42.6667 | 52.5 Ų | 52.5 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.2 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | M2879 A2880 I3027 | M2879-S2912 CarbonylContact C-O 3.5Å; M2879-S2912 WeakPolarHBondContact CA-O 3.28Å; A2880-S2912 PolarHBondContact N-O 2.97Å; A2880-S2912 PolarHBondContact O-N 2.85Å; S2912-I3027 CarbonylContact C-O 3.5Å; S2912-I3027 VanDerWaalsContact CA-O 3.27Å; S2912-I3027 WeakPolarHBondContact CA-O 3.44Å |
| 2913 | V | 92.5 | Very high | 80.6 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.4 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | I2877 N2878 M2879 F2911 I3027 C3028 A3029 | I2877-V2913 HydrophobicContact CG2-CG1 4.3Å; N2878-V2913 CarbonylContact O-C 3.54Å; N2878-V2913 VanDerWaalsContact O-CA 3.3Å; N2878-V2913 WeakPolarHBondContact O-CA 3.24Å; M2879-V2913 HydrophobicContact CB-CG2 4.33Å; M2879-V2913 HydrophobicContact CE-CG1 4.45Å; M2879-V2913 HydrophobicContact CG-CG1 4.21Å; M2879-V2913 HydrophobicContact CG-CG2 3.98Å; M2879-V2913 HydrophobicContact SD-CG2 4.33Å; F2911-V2913 HydrophobicContact CD1-CG2 4.1Å; F2911-V2913 HydrophobicContact CE1-CG2 3.3Å; F2911-V2913 VanDerWaalsContact CE1-CG2 3.47Å; F2911-V2913 HydrophobicContact CE2-CG2 4.19Å; F2911-V2913 HydrophobicContact CZ-CG2 3.35Å; F2911-V2913 VanDerWaalsContact CZ-CG2 3.42Å; V2913-I3027 PolarHBondContact N-O 2.96Å; V2913-C3028 CarbonylContact O-C 3.53Å; V2913-C3028 VanDerWaalsContact O-CA 3.3Å; V2913-C3028 WeakPolarHBondContact O-CA 3.38Å; V2913-A3029 PolarHBondContact O-N 2.93Å |
| 2914 | S | 92.7 | Very high | 83 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.4 | 168.6 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | I2877 N2878 A3029 | I2877-S2914 CarbonylContact C-O 3.5Å; I2877-S2914 VanDerWaalsContact CA-O 3.31Å; I2877-S2914 WeakPolarHBondContact CA-O 3.29Å; N2878-S2914 WeakPolarHBondContact CB-OG 3.46Å; N2878-S2914 PolarHBondContact N-O 3Å; N2878-S2914 PolarHBondContact O-N 3.04Å; S2914-A3029 CarbonylContact C-O 3.48Å; S2914-A3029 WeakPolarHBondContact CA-O 3.42Å |
| 2915 | A | 93.6 | Very high | 84.9 | Confident | 18.3333 Ų | 18.3333 | 46.3 Ų | 46.3 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | S2876 I2877 A3029 V3030 S3031 | S2876-A2915 CarbonylContact O-C 3.56Å; S2876-A2915 VanDerWaalsContact O-CA 3.25Å; S2876-A2915 WeakPolarHBondContact O-CA 3.42Å; I2877-A2915 HydrophobicContact CG1-CB 4.1Å; A2915-A3029 PolarHBondContact N-O 3.11Å; A2915-V3030 HydrophobicContact CB-CG1 4.44Å; A2915-V3030 HydrophobicContact CB-CG2 4.38Å; A2915-V3030 CarbonylContact O-C 3.52Å; A2915-V3030 WeakPolarHBondContact O-CA 3.45Å; A2915-S3031 PolarHBondContact O-N 3.16Å |
| 2916 | H | 94.3 | Very high | 86.6 | Confident | 74.6667 Ų | 74.6667 | 43.7 Ų | 43.7 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119 | 175.6 | -178.2 | -81.3 | 0 | 0 | 0 | 109.8 | V2875 S2876 S3031 | V2875-H2916 CarbonylContact C-O 3.5Å; V2875-H2916 WeakPolarHBondContact CA-O 3.38Å; S2876-H2916 PolarHBondContact N-O 3Å; S2876-H2916 PolarHBondContact O-N 3.03Å; S2876-H2916 WeakPolarHBondContact OG-CB 3.41Å; H2916-S3031 CarbonylContact C-O 3.44Å; H2916-S3031 VanDerWaalsContact CA-O 3.31Å; H2916-S3031 WeakPolarHBondContact CA-O 3.17Å |
| 2917 | I | 93.5 | Very high | 87.6 | Confident | 41.3333 Ų | 41.3333 | 51.3 Ų | 51.3 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119 | 177.1 | -56.3 | 174.7 | 0 | 0 | 0 | 107.5 | V2872 V2875 A2920 S3031 V3032 E3033 | V2872-I2917 HydrophobicContact CG1-CG2 4.14Å; V2875-I2917 HydrophobicContact CG1-CG1 4.25Å; V2875-I2917 HydrophobicContact CG2-CG1 4.32Å; V2875-I2917 HydrophobicContact CG2-CG2 4.48Å; I2917-A2920 HydrophobicContact CG2-CB 4.17Å; I2917-S3031 PolarHBondContact N-O 2.89Å; I2917-V3032 HydrophobicContact CB-CB 4.44Å; I2917-V3032 HydrophobicContact CB-CG1 4.02Å; I2917-V3032 HydrophobicContact CB-CG2 4.19Å; I2917-V3032 HydrophobicContact CD1-CG2 4.12Å; I2917-V3032 HydrophobicContact CG1-CG2 4.45Å; I2917-V3032 HydrophobicContact CG2-CG1 4.17Å; I2917-V3032 CarbonylContact O-C 3.46Å; I2917-V3032 VanDerWaalsContact O-CA 3.32Å; I2917-V3032 WeakPolarHBondContact O-CA 3.39Å; I2917-E3033 PolarHBondContact O-N 3.08Å |
| 2918 | S | 91.9 | Very high | 88.2 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -71.1 | 180 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | S2874 E3033 R3034 | S2874-S2918 PolarHBondContact N-OG 3.06Å; S2874-S2918 PolarHBondContact O-N 3.1Å; S2874-S2918 PolarHBondContact O-OG 2.87Å; S2874-S2918 VanDerWaalsContact OG-CB 3.31Å; S2874-S2918 WeakPolarHBondContact OG-CB 3.28Å; S2874-S2918 PolarHBondContact OG-OG 2.97Å; S2918-E3033 CarbonylContact O-C 3.51Å; S2918-E3033 VanDerWaalsContact O-CB 3.25Å; S2918-E3033 WeakPolarHBondContact O-CB 3.3Å; S2918-R3034 PolarHBondContact O-N 3.12Å |
| 2919 | E | 92.3 | Very high | 88.6 | Confident | 53.3333 Ų | 53.3333 | 50.6 Ų | 50.6 | 25% | 0.249 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 124.8 | -179.5 | -175.8 | 166.9 | -146.7 | 0 | 0 | 110.3 | V2872 R2873 T2921 R3034 | V2872-E2919 CarbonylContact C-O 3.59Å; V2872-E2919 WeakPolarHBondContact CA-O 3.33Å; R2873-E2919 HydrophobicContact CB-CB 3.98Å; R2873-E2919 WeakPolarHBondContact CB-O 3.28Å; R2873-E2919 PolarHBondContact N-O 3.1Å; R2873-E2919 IonicContact NH1-OE2 3.92Å; E2919-T2921 HydrophobicContact CG-CG2 4.48Å; E2919-R3034 WeakPolarHBondContact CA-O 3.35Å; E2919-R3034 HydrophobicContact CG-CB 4.36Å; E2919-R3034 WeakPolarHBondContact OE1-CD 3.41Å; E2919-R3034 IonicContact OE1-CZ 2.72Å; E2919-R3034 IonicContact OE1-NE 2.64Å; E2919-R3034 IonicContact OE1-NH1 3.03Å |
| 2920 | A | 92.4 | Very high | 88.6 | Confident | 12.3333 Ų | 12.3333 | 56.1 Ų | 56.1 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q2871 V2872 I2917 L2922 R3034 I3035 S3036 | Q2871-A2920 CarbonylContact O-C 3.55Å; Q2871-A2920 WeakPolarHBondContact O-CA 3.33Å; V2872-A2920 HydrophobicContact CG1-CB 4.29Å; V2872-A2920 HydrophobicContact CG2-CB 4.18Å; I2917-A2920 HydrophobicContact CG2-CB 4.17Å; A2920-L2922 HydrophobicContact CB-CD1 4.41Å; A2920-R3034 PolarHBondContact N-O 3.27Å; A2920-I3035 HydrophobicContact CB-CG1 4.25Å; A2920-I3035 CarbonylContact O-C 3.49Å; A2920-I3035 WeakPolarHBondContact O-CA 3.42Å; A2920-S3036 PolarHBondContact O-N 2.86Å |
| 2921 | T | 92.1 | Very high | 88.2 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.8 | 173.5 | 70.7 | 0 | 0 | 0 | 0 | 109.8 | V2870 Q2871 E2919 S3036 | V2870-T2921 WeakPolarHBondContact CA-O 3.26Å; Q2871-T2921 WeakPolarHBondContact CB-OG1 3.36Å; Q2871-T2921 PolarHBondContact N-O 2.81Å; Q2871-T2921 PolarHBondContact O-N 2.77Å; Q2871-T2921 PolarHBondContact OE1-OG1 3.19Å; E2919-T2921 HydrophobicContact CG-CG2 4.48Å; T2921-S3036 CarbonylContact C-O 3.5Å; T2921-S3036 VanDerWaalsContact CA-O 3.31Å; T2921-S3036 WeakPolarHBondContact CA-O 3.26Å |
| 2922 | L | 92.5 | Very high | 87.8 | Confident | 51.3333 Ų | 51.3333 | 53.3 Ų | 53.3 | 27% | 0.269 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.2 | 178.2 | -93.1 | 92.5 | 0 | 0 | 0 | 108.2 | F2868 I2869 V2870 A2920 F2924 I3035 S3036 V3037 E3038 | F2868-L2922 HydrophobicContact CE2-CD1 3.89Å; F2868-L2922 HydrophobicContact CZ-CD1 3.98Å; I2869-L2922 CarbonylContact O-C 3.52Å; I2869-L2922 WeakPolarHBondContact O-CA 3.31Å; V2870-L2922 HydrophobicContact CG1-CG 4.37Å; V2870-L2922 HydrophobicContact CG2-CD1 3.72Å; V2870-L2922 HydrophobicContact CG2-CD2 4.05Å; V2870-L2922 HydrophobicContact CG2-CG 4.25Å; A2920-L2922 HydrophobicContact CB-CD1 4.41Å; L2922-F2924 HydrophobicContact CD2-CD1 3.76Å; L2922-F2924 HydrophobicContact CD2-CE1 3.9Å; L2922-F2924 HydrophobicContact CG-CD1 4.23Å; L2922-I3035 HydrophobicContact CD1-CG2 4.21Å; L2922-S3036 PolarHBondContact N-O 3.21Å; L2922-V3037 HydrophobicContact CB-CG1 4.46Å; L2922-V3037 HydrophobicContact CB-CG2 4.29Å; L2922-V3037 HydrophobicContact CD1-CG2 4.09Å; L2922-V3037 HydrophobicContact CD2-CG1 3.92Å; L2922-V3037 HydrophobicContact CD2-CG2 4.34Å; L2922-V3037 CarbonylContact O-C 3.51Å; L2922-V3037 WeakPolarHBondContact O-CA 3.44Å; L2922-E3038 PolarHBondContact O-N 2.75Å |
| 2923 | K | 91.1 | Very high | 87.3 | Confident | 80.3333 Ų | 80.3333 | 53.7 Ų | 53.7 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.9 | 174.4 | -47.4 | -162.2 | -179.4 | -148.9 | 0 | 109.9 | F2868 I2869 E3038 | F2868-K2923 CarbonylContact C-O 3.48Å; F2868-K2923 WeakPolarHBondContact CA-O 3.44Å; I2869-K2923 HydrophobicContact CB-CB 4.14Å; I2869-K2923 HydrophobicContact CB-CG 4.5Å; I2869-K2923 HydrophobicContact CD1-CB 4.47Å; I2869-K2923 HydrophobicContact CD1-CD 4.46Å; I2869-K2923 HydrophobicContact CG1-CB 4.49Å; I2869-K2923 PolarHBondContact N-O 3.16Å; I2869-K2923 PolarHBondContact O-N 3.02Å; K2923-E3038 CarbonylContact C-O 3.59Å; K2923-E3038 VanDerWaalsContact CA-O 3.26Å; K2923-E3038 WeakPolarHBondContact CA-O 3.34Å; K2923-E3038 VanDerWaalsContact CD-OE2 3.31Å; K2923-E3038 WeakPolarHBondContact CD-OE2 3.33Å; K2923-E3038 WeakPolarHBondContact CE-OE2 3.47Å; K2923-E3038 HydrophobicContact CG-CB 4.2Å; K2923-E3038 IonicContact NZ-OE1 2.77Å; K2923-E3038 IonicContact NZ-OE2 3.85Å; K2923-E3038 PolarHBondContact NZ-OE2 2.84Å |
| 2924 | F | 88.1 | Confident | 86.7 | Confident | 54.6667 Ų | 54.6667 | 53.6 Ų | 53.6 | 24% | 0.24 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 140.6 | 177.5 | 73.8 | -87.9 | 0 | 0 | 0 | 113.2 | A2867 F2868 L2922 M2926 I2932 V3037 E3038 A3039 V3040 | A2867-F2924 WeakPolarHBondContact O-CA 3.4Å; F2868-F2924 HydrophobicContact CD2-CB 3.69Å; F2868-F2924 HydrophobicContact CE2-CB 4.24Å; L2922-F2924 HydrophobicContact CD2-CD1 3.76Å; L2922-F2924 HydrophobicContact CD2-CE1 3.9Å; L2922-F2924 HydrophobicContact CG-CD1 4.23Å; F2924-M2926 HydrophobicContact CD2-CB 4.46Å; F2924-M2926 HydrophobicContact CD2-CG 3.96Å; F2924-M2926 HydrophobicContact CE2-CB 4.14Å; F2924-M2926 HydrophobicContact CE2-CG 3.51Å; F2924-M2926 VanDerWaalsContact CE2-CG 3.42Å; F2924-M2926 HydrophobicContact CE2-SD 4.28Å; F2924-M2926 HydrophobicContact CZ-CG 4.43Å; F2924-I2932 HydrophobicContact CB-CD1 4.42Å; F2924-V3037 HydrophobicContact CD1-CG1 4.19Å; F2924-V3037 HydrophobicContact CE1-CG1 3.9Å; F2924-E3038 PolarHBondContact N-O 2.99Å; F2924-A3039 HydrophobicContact CD1-CB 4.04Å; F2924-A3039 HydrophobicContact CD2-CB 4.41Å; F2924-A3039 HydrophobicContact CE1-CB 3.47Å; F2924-A3039 VanDerWaalsContact CE1-CB 3.47Å; F2924-A3039 HydrophobicContact CE2-CB 3.98Å; F2924-A3039 HydrophobicContact CG-CB 4.47Å; F2924-A3039 HydrophobicContact CZ-CB 3.43Å; F2924-A3039 VanDerWaalsContact CZ-CB 3.47Å; F2924-A3039 WeakPolarHBondContact O-CA 3.42Å; F2924-V3040 PolarHBondContact O-N 3.09Å |
| 2925 | D | 85.8 | Confident | 86.3 | Confident | 29.6667 Ų | 29.6667 | 52.4 Ų | 52.4 | 16% | 0.159 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 111.1 | 172.7 | -172.7 | -9.3 | 0 | 0 | 0 | 110 | A2867 R2927 R2928 L2929 | A2867-D2925 PolarHBondContact O-N 2.78Å; A2867-D2925 VanDerWaalsContact O-N 3.11Å; D2925-R2927 PolarHBondContact O-N 3.04Å; D2925-R2927 VanDerWaalsContact O-N 3.13Å; D2925-R2927 VanDerWaalsContact OD1-CB 3.27Å; D2925-R2927 WeakPolarHBondContact OD1-CB 3.36Å; D2925-R2927 VanDerWaalsContact OD1-CG 3.25Å; D2925-R2927 WeakPolarHBondContact OD1-CG 3.34Å; D2925-R2927 IonicContact OD1-CZ 3.74Å; D2925-R2927 PolarHBondContact OD1-N 3.09Å; D2925-R2927 IonicContact OD1-NE 2.88Å; D2925-R2927 PolarHBondContact OD1-NE 2.76Å; D2925-R2927 IonicContact OD1-NH2 3.77Å; D2925-R2927 IonicContact OD2-CZ 3.28Å; D2925-R2927 VanDerWaalsContact OD2-CZ 3.28Å; D2925-R2927 IonicContact OD2-NE 3.03Å; D2925-R2927 PolarHBondContact OD2-NE 2.79Å; D2925-R2927 IonicContact OD2-NH2 2.69Å; D2925-R2927 PolarHBondContact OD2-NH2 2.84Å; D2925-R2928 HydrophobicContact CB-CB 4.46Å; D2925-R2928 HydrophobicContact CB-CG 4.41Å; D2925-R2928 PolarHBondContact O-N 2.99Å; D2925-L2929 PolarHBondContact O-N 2.97Å |
| 2926 | M | 84.6 | Confident | 85.7 | Confident | 40.3333 Ų | 40.3333 | 54.4 Ų | 54.4 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.1 | -23.1 | 178.9 | -99.1 | 177.2 | 57.7 | 0 | 0 | 112.4 | F2924 R2928 L2929 V3040 M3041 F3211 F3212 Q3215 | F2924-M2926 HydrophobicContact CD2-CB 4.46Å; F2924-M2926 HydrophobicContact CD2-CG 3.96Å; F2924-M2926 HydrophobicContact CE2-CB 4.14Å; F2924-M2926 HydrophobicContact CE2-CG 3.51Å; F2924-M2926 VanDerWaalsContact CE2-CG 3.42Å; F2924-M2926 HydrophobicContact CE2-SD 4.28Å; F2924-M2926 HydrophobicContact CZ-CG 4.43Å; M2926-R2928 VanDerWaalsContact C-N 3.26Å; M2926-R2928 PolarHBondContact O-N 2.94Å; M2926-L2929 VanDerWaalsContact O-CB 3.31Å; M2926-L2929 WeakPolarHBondContact O-CB 3.3Å; M2926-L2929 PolarHBondContact O-N 3Å; M2926-V3040 VanDerWaalsContact CB-O 3.3Å; M2926-V3040 WeakPolarHBondContact CB-O 3.34Å; M2926-V3040 PolarHBondContact N-O 3.18Å; M2926-M3041 HydrophobicContact CE-CB 3.53Å; M2926-M3041 HydrophobicContact CE-CE 4.01Å; M2926-M3041 HydrophobicContact CE-CG 3.28Å; M2926-M3041 HydrophobicContact CE-SD 3.52Å; M2926-M3041 VanDerWaalsContact CE-SD 3.52Å; M2926-M3041 HydrophobicContact CG-CG 4.43Å; M2926-M3041 HydrophobicContact SD-CB 3.97Å; M2926-M3041 HydrophobicContact SD-CG 3.59Å; M2926-M3041 VanDerWaalsContact SD-CG 3.59Å; M2926-M3041 HydrophobicContact SD-SD 4Å; M2926-F3211 HydrophobicContact CE-CE1 3.26Å; M2926-F3211 HydrophobicContact CE-CZ 3.5Å; M2926-F3211 VanDerWaalsContact CE-CZ 3.5Å; M2926-F3211 HydrophobicContact CG-CE1 4.41Å; M2926-F3211 HydrophobicContact CG-CZ 4Å; M2926-F3211 HydrophobicContact SD-CE1 3.65Å; M2926-F3211 HydrophobicContact SD-CZ 3.86Å; M2926-F3212 HydrophobicContact CE-CE1 4.5Å; M2926-Q3215 HydrophobicContact CG-CG 3.99Å; M2926-Q3215 PolarHBondContact O-OE1 2.69Å; M2926-Q3215 HydrophobicContact SD-CG 4.1Å |
| 2927 | R | 81 | Confident | 85.1 | Confident | 161.333 Ų | 161.333 | 57 Ų | 57 | 61% | 0.609 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -65.6 | -27.2 | 174.7 | -60.6 | 177 | -156.4 | 163.9 | 4.2 | 112 | D2925 G3042 | D2925-R2927 PolarHBondContact O-N 3.04Å; D2925-R2927 VanDerWaalsContact O-N 3.13Å; D2925-R2927 VanDerWaalsContact OD1-CB 3.27Å; D2925-R2927 WeakPolarHBondContact OD1-CB 3.36Å; D2925-R2927 VanDerWaalsContact OD1-CG 3.25Å; D2925-R2927 WeakPolarHBondContact OD1-CG 3.34Å; D2925-R2927 IonicContact OD1-CZ 3.74Å; D2925-R2927 PolarHBondContact OD1-N 3.09Å; D2925-R2927 IonicContact OD1-NE 2.88Å; D2925-R2927 PolarHBondContact OD1-NE 2.76Å; D2925-R2927 IonicContact OD1-NH2 3.77Å; D2925-R2927 IonicContact OD2-CZ 3.28Å; D2925-R2927 VanDerWaalsContact OD2-CZ 3.28Å; D2925-R2927 IonicContact OD2-NE 3.03Å; D2925-R2927 PolarHBondContact OD2-NE 2.79Å; D2925-R2927 IonicContact OD2-NH2 2.69Å; D2925-R2927 PolarHBondContact OD2-NH2 2.84Å; R2927-G3042 PolarHBondContact NH2-O 3.4Å |
| 2928 | R | 79.4 | Confident | 84.5 | Confident | 54.6667 Ų | 54.6667 | 55.5 Ų | 55.5 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -101.1 | 13 | 179.5 | -63.1 | -173.7 | 177 | -175.4 | -4.9 | 113.4 | R2865 D2866 A2867 D2925 M2926 K2930 E2931 I2932 | R2865-R2928 PolarHBondContact O-NH1 2.94Å; D2866-R2928 PolarHBondContact O-NH1 3.28Å; A2867-R2928 HydrophobicContact CB-CB 3.92Å; A2867-R2928 HydrophobicContact CB-CG 4.49Å; D2925-R2928 HydrophobicContact CB-CB 4.46Å; D2925-R2928 HydrophobicContact CB-CG 4.41Å; D2925-R2928 PolarHBondContact O-N 2.99Å; M2926-R2928 VanDerWaalsContact C-N 3.26Å; M2926-R2928 PolarHBondContact O-N 2.94Å; R2928-K2930 PolarHBondContact O-N 2.86Å; R2928-K2930 VanDerWaalsContact O-N 3.09Å; R2928-E2931 HydrophobicContact CB-CB 4.47Å; R2928-E2931 IonicContact NE-OE2 3.83Å; R2928-E2931 WeakPolarHBondContact O-CA 3.29Å; R2928-E2931 WeakPolarHBondContact O-CB 3.33Å; R2928-E2931 PolarHBondContact O-N 3.14Å; R2928-I2932 WeakPolarHBondContact O-CG1 3.35Å; R2928-I2932 PolarHBondContact O-N 2.95Å; R2928-I2932 VanDerWaalsContact O-N 3.12Å |
| 2929 | L | 80.4 | Confident | 84 | Confident | 52.6667 Ų | 52.6667 | 57.2 Ų | 57.2 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -53.1 | -34 | 179.8 | -173.9 | 64.1 | 0 | 0 | 0 | 112.8 | D2925 M2926 E2931 I2932 L2933 Q3215 | D2925-L2929 PolarHBondContact O-N 2.97Å; M2926-L2929 VanDerWaalsContact O-CB 3.31Å; M2926-L2929 WeakPolarHBondContact O-CB 3.3Å; M2926-L2929 PolarHBondContact O-N 3Å; L2929-E2931 PolarHBondContact O-N 2.97Å; L2929-I2932 PolarHBondContact O-N 2.78Å; L2929-L2933 HydrophobicContact CD1-CD1 4.2Å; L2929-L2933 HydrophobicContact CD1-CG 4.19Å; L2929-L2933 HydrophobicContact CD2-CD1 4.4Å; L2929-L2933 HydrophobicContact CG-CD1 3.9Å; L2929-L2933 HydrophobicContact CG-CG 4.3Å; L2929-L2933 VanDerWaalsContact O-CB 3.32Å; L2929-L2933 WeakPolarHBondContact O-CB 3.41Å; L2929-L2933 VanDerWaalsContact O-CG 3.26Å; L2929-L2933 WeakPolarHBondContact O-CG 3.23Å; L2929-L2933 PolarHBondContact O-N 2.97Å; L2929-Q3215 HydrophobicContact CD2-CB 4.3Å |
| 2930 | K | 78.7 | Confident | 83.6 | Confident | 160.667 Ų | 160.667 | 60.5 Ų | 60.5 | 70% | 0.699 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.4 | -37.8 | 174.6 | -97.1 | 178 | -177.9 | -178.5 | 0 | 113.5 | R2928 S2934 I3222 | R2928-K2930 PolarHBondContact O-N 2.86Å; R2928-K2930 VanDerWaalsContact O-N 3.09Å; K2930-S2934 WeakPolarHBondContact O-CB 3.45Å; K2930-S2934 PolarHBondContact O-N 3.01Å; K2930-S2934 VanDerWaalsContact O-N 3.17Å; K2930-I3222 HydrophobicContact CB-CD1 3.68Å; K2930-I3222 HydrophobicContact CD-CD1 4.13Å; K2930-I3222 HydrophobicContact CG-CD1 3.48Å; K2930-I3222 VanDerWaalsContact CG-CD1 3.48Å; K2930-I3222 HydrophobicContact CG-CG1 4.48Å |
| 2931 | E | 77.7 | Confident | 83 | Confident | 59.6667 Ų | 59.6667 | 63.1 Ų | 63.1 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.1 | -46.5 | 176.6 | -63.4 | 169.9 | -154.8 | 0 | 0 | 110 | V2784 H2849 R2928 L2929 L2933 S2934 | V2784-E2931 HydrophobicContact CG2-CB 4.17Å; H2849-E2931 IonicContact CD2-OE2 2.97Å; R2928-E2931 HydrophobicContact CB-CB 4.47Å; R2928-E2931 IonicContact NE-OE2 3.83Å; R2928-E2931 WeakPolarHBondContact O-CA 3.29Å; R2928-E2931 WeakPolarHBondContact O-CB 3.33Å; R2928-E2931 PolarHBondContact O-N 3.14Å; L2929-E2931 PolarHBondContact O-N 2.97Å; E2931-L2933 VanDerWaalsContact C-N 3.33Å; E2931-L2933 PolarHBondContact O-N 3.23Å; E2931-S2934 VanDerWaalsContact O-CB 3.31Å; E2931-S2934 WeakPolarHBondContact O-CB 3.33Å; E2931-S2934 PolarHBondContact O-N 3.12Å; E2931-S2934 VanDerWaalsContact O-N 3.14Å; E2931-S2934 PolarHBondContact O-OG 3.06Å |
| 2932 | I | 79.5 | Confident | 82.2 | Confident | 17.3333 Ų | 17.3333 | 67.5 Ų | 67.5 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 177.7 | -58.3 | 169 | 0 | 0 | 0 | 110.6 | I2847 A2867 F2868 F2924 R2928 L2929 S2934 F2935 P2936 | I2847-I2932 HydrophobicContact CD1-CG2 4.21Å; A2867-I2932 HydrophobicContact CB-CD1 4.29Å; A2867-I2932 HydrophobicContact CB-CG1 3.82Å; A2867-I2932 WeakPolarHBondContact O-CD1 3.37Å; F2868-I2932 HydrophobicContact CB-CD1 3.94Å; F2868-I2932 HydrophobicContact CB-CG1 4.02Å; F2868-I2932 HydrophobicContact CB-CG2 4.19Å; F2868-I2932 HydrophobicContact CD2-CD1 4.5Å; F2868-I2932 HydrophobicContact CG-CG2 4.3Å; F2924-I2932 HydrophobicContact CB-CD1 4.42Å; R2928-I2932 WeakPolarHBondContact O-CG1 3.35Å; R2928-I2932 PolarHBondContact O-N 2.95Å; R2928-I2932 VanDerWaalsContact O-N 3.12Å; L2929-I2932 PolarHBondContact O-N 2.78Å; I2932-S2934 VanDerWaalsContact C-N 3.3Å; I2932-S2934 PolarHBondContact O-N 3.17Å; I2932-F2935 PolarHBondContact O-N 2.86Å; I2932-P2936 VanDerWaalsContact O-CD 3.23Å; I2932-P2936 WeakPolarHBondContact O-CD 3.37Å |
| 2933 | L | 80.2 | Confident | 81.3 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.5 | 179.3 | -65.9 | 175.3 | 0 | 0 | 0 | 114.2 | L2929 E2931 F2935 K2937 I3222 L3223 | L2929-L2933 HydrophobicContact CD1-CD1 4.2Å; L2929-L2933 HydrophobicContact CD1-CG 4.19Å; L2929-L2933 HydrophobicContact CD2-CD1 4.4Å; L2929-L2933 HydrophobicContact CG-CD1 3.9Å; L2929-L2933 HydrophobicContact CG-CG 4.3Å; L2929-L2933 VanDerWaalsContact O-CB 3.32Å; L2929-L2933 WeakPolarHBondContact O-CB 3.41Å; L2929-L2933 VanDerWaalsContact O-CG 3.26Å; L2929-L2933 WeakPolarHBondContact O-CG 3.23Å; L2929-L2933 PolarHBondContact O-N 2.97Å; E2931-L2933 VanDerWaalsContact C-N 3.33Å; E2931-L2933 PolarHBondContact O-N 3.23Å; L2933-F2935 VanDerWaalsContact C-N 3.32Å; L2933-K2937 WeakPolarHBondContact O-CD 3.05Å; L2933-K2937 VanDerWaalsContact O-CE 3.31Å; L2933-K2937 WeakPolarHBondContact O-CE 3.38Å; L2933-K2937 WeakPolarHBondContact O-CG 3.15Å; L2933-I3222 HydrophobicContact CB-CD1 4.46Å; L2933-I3222 HydrophobicContact CB-CG2 4.13Å; L2933-L3223 HydrophobicContact CD1-CD1 4.44Å; L2933-L3223 HydrophobicContact CD2-CD1 4.08Å; L2933-L3223 HydrophobicContact CD2-CD2 4.4Å; L2933-L3223 HydrophobicContact CD2-CG 4.4Å |
| 2934 | S | 79.1 | Confident | 80.6 | Confident | 25.6667 Ų | 25.6667 | 63.3 Ų | 63.3 | 18% | 0.179 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.4 | -28.7 | 173.6 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | S2782 V2784 K2930 E2931 I2932 K2937 A2938 | S2782-S2934 PolarHBondContact OG-OG 3.16Å; S2782-S2934 VanDerWaalsContact OG-OG 3.13Å; V2784-S2934 WeakPolarHBondContact CG2-OG 3.42Å; K2930-S2934 WeakPolarHBondContact O-CB 3.45Å; K2930-S2934 PolarHBondContact O-N 3.01Å; K2930-S2934 VanDerWaalsContact O-N 3.17Å; E2931-S2934 VanDerWaalsContact O-CB 3.31Å; E2931-S2934 WeakPolarHBondContact O-CB 3.33Å; E2931-S2934 PolarHBondContact O-N 3.12Å; E2931-S2934 VanDerWaalsContact O-N 3.14Å; E2931-S2934 PolarHBondContact O-OG 3.06Å; I2932-S2934 VanDerWaalsContact C-N 3.3Å; I2932-S2934 PolarHBondContact O-N 3.17Å; S2934-K2937 WeakPolarHBondContact O-CB 3.22Å; S2934-K2937 PolarHBondContact O-N 3.12Å; S2934-A2938 PolarHBondContact O-N 2.94Å |
| 2935 | F | 83.6 | Confident | 79.7 | Confident | 26.6667 Ų | 26.6667 | 64 Ų | 64 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -51.2 | -178.9 | 173.1 | -98.3 | 0 | 0 | 0 | 112.7 | F2776 V2784 C2786 I2847 I2932 L2933 K2937 A2938 W2939 | F2776-F2935 HydrophobicContact CB-CE2 3.62Å; F2776-F2935 HydrophobicContact CB-CZ 3.7Å; F2776-F2935 HydrophobicContact CD2-CZ 4.47Å; F2776-F2935 HydrophobicContact CG-CE2 4.48Å; F2776-F2935 HydrophobicContact CG-CZ 4.1Å; V2784-F2935 HydrophobicContact CG1-CB 4.07Å; C2786-F2935 HydrophobicContact CB-CD1 4.2Å; C2786-F2935 HydrophobicContact CB-CD2 3.73Å; C2786-F2935 HydrophobicContact CB-CE1 3.78Å; C2786-F2935 HydrophobicContact CB-CE2 3.26Å; C2786-F2935 HydrophobicContact CB-CG 4.19Å; C2786-F2935 HydrophobicContact CB-CZ 3.3Å; I2847-F2935 HydrophobicContact CD1-CD1 4.31Å; I2847-F2935 HydrophobicContact CG2-CB 4.41Å; I2932-F2935 PolarHBondContact O-N 2.86Å; L2933-F2935 VanDerWaalsContact C-N 3.32Å; F2935-K2937 PolarHBondContact O-N 3.14Å; F2935-K2937 VanDerWaalsContact O-N 3.15Å; F2935-A2938 PolarHBondContact O-N 2.99Å; F2935-A2938 VanDerWaalsContact O-N 3.11Å; F2935-W2939 AromaticContact CD2-CD1 3.92Å; F2935-W2939 AromaticContact CE2-CD1 3.38Å; F2935-W2939 VanDerWaalsContact CE2-CD1 3.42Å; F2935-W2939 HydrophobicContact CE2-CG 4.31Å; F2935-W2939 AromaticContact CE2-NE1 3.57Å; F2935-W2939 AromaticContact CZ-CD1 3.72Å; F2935-W2939 HydrophobicContact CZ-CG 4.25Å; F2935-W2939 PolarHBondContact O-N 2.93Å |
| 2936 | P | 82.8 | Confident | 79.1 | Confident | 60.6667 Ų | 60.6667 | 66.1 Ų | 66.1 | 39% | 0.394 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -30.3 | 173.8 | -25 | 34.4 | 0 | 0 | 0 | 113.3 | I2932 A2938 W2939 Y2940 | I2932-P2936 VanDerWaalsContact O-CD 3.23Å; I2932-P2936 WeakPolarHBondContact O-CD 3.37Å; P2936-A2938 VanDerWaalsContact C-N 3.32Å; P2936-A2938 PolarHBondContact O-N 2.84Å; P2936-W2939 CarbonylContact O-C 3.5Å; P2936-W2939 PolarHBondContact O-N 3.22Å; P2936-Y2940 WeakPolarHBondContact O-CA 3.31Å; P2936-Y2940 WeakPolarHBondContact O-CB 3.43Å; P2936-Y2940 PolarHBondContact O-N 2.87Å; P2936-Y2940 VanDerWaalsContact O-N 3.08Å |
| 2937 | K | 80.2 | Confident | 78.3 | Confident | 129.333 Ų | 129.333 | 66.9 Ų | 66.9 | 56% | 0.562 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.5 | -31.8 | 177.9 | -98.4 | -178.1 | 175.5 | -179 | 0 | 113.2 | L2933 S2934 F2935 W2939 I3222 | L2933-K2937 WeakPolarHBondContact O-CD 3.05Å; L2933-K2937 VanDerWaalsContact O-CE 3.31Å; L2933-K2937 WeakPolarHBondContact O-CE 3.38Å; L2933-K2937 WeakPolarHBondContact O-CG 3.15Å; S2934-K2937 WeakPolarHBondContact O-CB 3.22Å; S2934-K2937 PolarHBondContact O-N 3.12Å; F2935-K2937 PolarHBondContact O-N 3.14Å; F2935-K2937 VanDerWaalsContact O-N 3.15Å; K2937-W2939 VanDerWaalsContact C-N 3.3Å; K2937-I3222 HydrophobicContact CD-CG2 4.15Å; K2937-I3222 WeakPolarHBondContact CD-O 3.23Å |
| 2938 | A | 80.6 | Confident | 77.7 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.5 | -23.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2934 F2935 P2936 | S2934-A2938 PolarHBondContact O-N 2.94Å; F2935-A2938 PolarHBondContact O-N 2.99Å; F2935-A2938 VanDerWaalsContact O-N 3.11Å; P2936-A2938 VanDerWaalsContact C-N 3.32Å; P2936-A2938 PolarHBondContact O-N 2.84Å |
| 2939 | W | 83.2 | Confident | 77 | Confident | 44.3333 Ų | 44.3333 | 69.6 Ų | 69.6 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -108.8 | -4.3 | -173.9 | -79.5 | 90.8 | 0 | 0 | 0 | 115.1 | L2703 S2704 P2705 I2707 L2708 F2776 T2777 F2935 P2936 K2937 | L2703-W2939 HydrophobicContact CB-CH2 3.78Å; L2703-W2939 HydrophobicContact CB-CZ2 4.27Å; S2704-W2939 VanDerWaalsContact C-CH2 3.46Å; S2704-W2939 VanDerWaalsContact O-CH2 3.32Å; S2704-W2939 WeakPolarHBondContact O-CH2 3.33Å; P2705-W2939 HydrophobicContact CG-CZ2 4.38Å; I2707-W2939 HydrophobicContact CG2-CH2 3.95Å; I2707-W2939 HydrophobicContact CG2-CZ3 3.72Å; L2708-W2939 HydrophobicContact CD1-CB 4.39Å; L2708-W2939 HydrophobicContact CD1-CD2 4.36Å; L2708-W2939 HydrophobicContact CD1-CE3 3.82Å; L2708-W2939 HydrophobicContact CD1-CZ3 4.36Å; L2708-W2939 VanDerWaalsContact CD1-O 3.28Å; L2708-W2939 WeakPolarHBondContact CD1-O 3.24Å; L2708-W2939 HydrophobicContact CD2-CE3 4.39Å; L2708-W2939 HydrophobicContact CD2-CZ3 4.48Å; L2708-W2939 HydrophobicContact CG-CE3 4.16Å; L2708-W2939 HydrophobicContact CG-CZ3 4.24Å; F2776-W2939 HydrophobicContact CB-CZ2 4.02Å; F2776-W2939 HydrophobicContact CD1-CD2 4.11Å; F2776-W2939 AromaticContact CD1-CE2 3.84Å; F2776-W2939 HydrophobicContact CD1-CE3 4.14Å; F2776-W2939 AromaticContact CD1-CH2 3.77Å; F2776-W2939 HydrophobicContact CD1-CH2 3.77Å; F2776-W2939 AromaticContact CD1-CZ2 3.68Å; F2776-W2939 HydrophobicContact CD1-CZ2 3.68Å; F2776-W2939 AromaticContact CD1-CZ3 3.92Å; F2776-W2939 HydrophobicContact CD1-CZ3 3.98Å; F2776-W2939 HydrophobicContact CE1-CE3 4.49Å; F2776-W2939 HydrophobicContact CE1-CH2 4.33Å; F2776-W2939 HydrophobicContact CE1-CZ3 4.32Å; F2776-W2939 HydrophobicContact CG-CZ2 4.35Å; T2777-W2939 WeakPolarHBondContact O-CZ2 3.4Å; T2777-W2939 PolarHBondContact O-NE1 3.04Å; F2935-W2939 AromaticContact CD2-CD1 3.92Å; F2935-W2939 AromaticContact CE2-CD1 3.38Å; F2935-W2939 VanDerWaalsContact CE2-CD1 3.42Å; F2935-W2939 HydrophobicContact CE2-CG 4.31Å; F2935-W2939 AromaticContact CE2-NE1 3.57Å; F2935-W2939 AromaticContact CZ-CD1 3.72Å; F2935-W2939 HydrophobicContact CZ-CG 4.25Å; F2935-W2939 PolarHBondContact O-N 2.93Å; P2936-W2939 CarbonylContact O-C 3.5Å; P2936-W2939 PolarHBondContact O-N 3.22Å; K2937-W2939 VanDerWaalsContact C-N 3.3Å |
| 2940 | Y | 83 | Confident | 76.1 | Confident | 123.333 Ų | 123.333 | 73.7 Ų | 73.7 | 48% | 0.484 | 34% | 0.335 | S | S | . | . | trans | -103.9 | 112.2 | -179.6 | 177.4 | -99.3 | 0 | 0 | 0 | 111.7 | P2936 R2942 M2945 | P2936-Y2940 WeakPolarHBondContact O-CA 3.31Å; P2936-Y2940 WeakPolarHBondContact O-CB 3.43Å; P2936-Y2940 PolarHBondContact O-N 2.87Å; P2936-Y2940 VanDerWaalsContact O-N 3.08Å; Y2940-R2942 HydrophobicContact CE1-CB 4.18Å; Y2940-M2945 HydrophobicContact CE2-CB 4.21Å; Y2940-M2945 HydrophobicContact CE2-CE 4.02Å; Y2940-M2945 HydrophobicContact CE2-CG 4.17Å; Y2940-M2945 HydrophobicContact CE2-SD 4.05Å; Y2940-M2945 WeakPolarHBondContact OH-CE 3.36Å; Y2940-M2945 PolarHBondContact OH-SD 3.16Å | ||
| 2941 | R | 79.3 | Confident | 75.2 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | trans | -105.6 | 119.4 | 169.2 | -63.6 | -67.1 | -170.4 | -169.9 | 0.1 | 110.1 | L2708 D2709 E2712 Y2781 A2943 I2944 M2945 | L2708-R2941 HydrophobicContact CB-CG 4.07Å; L2708-R2941 HydrophobicContact CD1-CG 4.29Å; D2709-R2941 IonicContact OD1-CZ 3Å; D2709-R2941 IonicContact OD1-NE 3.15Å; D2709-R2941 IonicContact OD1-NH2 3Å; D2709-R2941 PolarHBondContact OD1-NH2 2.97Å; E2712-R2941 WeakPolarHBondContact OE2-CD 3.38Å; E2712-R2941 IonicContact OE2-CZ 3.72Å; E2712-R2941 IonicContact OE2-NE 3Å; E2712-R2941 PolarHBondContact OE2-NE 3.19Å; Y2781-R2941 PolarHBondContact OH-NH2 3.16Å; Y2781-R2941 VanDerWaalsContact OH-NH2 3.12Å; R2941-A2943 VanDerWaalsContact C-N 3.3Å; R2941-A2943 PolarHBondContact O-N 2.97Å; R2941-I2944 HydrophobicContact CB-CB 4.11Å; R2941-I2944 HydrophobicContact CB-CD1 3.7Å; R2941-I2944 HydrophobicContact CB-CG1 3.76Å; R2941-I2944 HydrophobicContact CG-CD1 3.86Å; R2941-I2944 HydrophobicContact CG-CG1 4.4Å; R2941-I2944 PolarHBondContact O-N 3.15Å; R2941-M2945 PolarHBondContact O-N 3.35Å; R2941-M2945 VanDerWaalsContact O-N 3.11Å | ||
| 2942 | R | 76.1 | Confident | 74.1 | Confident | 118 Ų | 118 | 71.1 Ų | 71.1 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 179.7 | -170.7 | 179.3 | -175.1 | 173.1 | 1.7 | 112.4 | Y2940 M2945 R2946 | Y2940-R2942 HydrophobicContact CE1-CB 4.18Å; R2942-M2945 PolarHBondContact O-N 2.99Å; R2942-R2946 HydrophobicContact CG-CG 4.37Å; R2942-R2946 VanDerWaalsContact CZ-CZ 3.48Å; R2942-R2946 VanDerWaalsContact CZ-NH2 3.31Å; R2942-R2946 VanDerWaalsContact NE-NH2 3.15Å; R2942-R2946 WeakPolarHBondContact O-CB 3.46Å; R2942-R2946 WeakPolarHBondContact O-CG 3.48Å; R2942-R2946 PolarHBondContact O-N 3.18Å |
| 2943 | A | 72.3 | Confident | 72.9 | Confident | 24 Ų | 24 | 76.2 Ų | 76.2 | 20% | 0.198 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E2712 R2941 M2945 R2946 R2947 | E2712-A2943 VanDerWaalsContact OE1-CB 3.25Å; E2712-A2943 WeakPolarHBondContact OE1-CB 3.2Å; R2941-A2943 VanDerWaalsContact C-N 3.3Å; R2941-A2943 PolarHBondContact O-N 2.97Å; A2943-M2945 VanDerWaalsContact C-N 3.32Å; A2943-M2945 PolarHBondContact O-N 3.21Å; A2943-R2946 PolarHBondContact O-N 3.02Å; A2943-R2946 VanDerWaalsContact O-N 3.1Å; A2943-R2947 WeakPolarHBondContact O-CB 3.24Å; A2943-R2947 WeakPolarHBondContact O-CG 3.31Å; A2943-R2947 PolarHBondContact O-N 3.21Å |
| 2944 | I | 76.5 | Confident | 71.5 | Confident | 20.6667 Ų | 20.6667 | 80.9 Ų | 80.9 | 11% | 0.106 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 175 | -56.5 | 179.3 | 0 | 0 | 0 | 110.6 | L2708 V2711 E2712 L2715 R2941 R2946 R2947 L2948 | L2708-I2944 HydrophobicContact CB-CD1 4.23Å; L2708-I2944 HydrophobicContact CD2-CD1 4.24Å; L2708-I2944 WeakPolarHBondContact O-CD1 3.2Å; V2711-I2944 HydrophobicContact CB-CD1 4.29Å; V2711-I2944 HydrophobicContact CG1-CD1 4.04Å; V2711-I2944 HydrophobicContact CG1-CG1 4.26Å; V2711-I2944 HydrophobicContact CG1-CG2 4.22Å; E2712-I2944 HydrophobicContact CB-CD1 4.27Å; E2712-I2944 HydrophobicContact CB-CG1 4.27Å; E2712-I2944 HydrophobicContact CG-CG1 4.47Å; L2715-I2944 HydrophobicContact CD1-CG2 4.39Å; R2941-I2944 HydrophobicContact CB-CB 4.11Å; R2941-I2944 HydrophobicContact CB-CD1 3.7Å; R2941-I2944 HydrophobicContact CB-CG1 3.76Å; R2941-I2944 HydrophobicContact CG-CD1 3.86Å; R2941-I2944 HydrophobicContact CG-CG1 4.4Å; R2941-I2944 PolarHBondContact O-N 3.15Å; I2944-R2946 VanDerWaalsContact C-N 3.31Å; I2944-R2946 PolarHBondContact O-N 3.14Å; I2944-R2947 PolarHBondContact O-N 2.99Å; I2944-L2948 HydrophobicContact CG2-CD1 4.01Å; I2944-L2948 HydrophobicContact CG2-CG 4.13Å; I2944-L2948 VanDerWaalsContact O-CB 3.31Å; I2944-L2948 WeakPolarHBondContact O-CB 3.32Å; I2944-L2948 WeakPolarHBondContact O-CG 3.3Å; I2944-L2948 PolarHBondContact O-N 3.14Å |
| 2945 | M | 70.5 | Confident | 69.8 | Low | 68.3333 Ų | 68.3333 | 90.9 Ų | 90.9 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | -180 | -170.9 | -120.6 | -145.4 | 0 | 0 | 112.3 | Y2940 R2941 R2942 A2943 F2949 F2950 | Y2940-M2945 HydrophobicContact CE2-CB 4.21Å; Y2940-M2945 HydrophobicContact CE2-CE 4.02Å; Y2940-M2945 HydrophobicContact CE2-CG 4.17Å; Y2940-M2945 HydrophobicContact CE2-SD 4.05Å; Y2940-M2945 WeakPolarHBondContact OH-CE 3.36Å; Y2940-M2945 PolarHBondContact OH-SD 3.16Å; R2941-M2945 PolarHBondContact O-N 3.35Å; R2941-M2945 VanDerWaalsContact O-N 3.11Å; R2942-M2945 PolarHBondContact O-N 2.99Å; A2943-M2945 VanDerWaalsContact C-N 3.32Å; A2943-M2945 PolarHBondContact O-N 3.21Å; M2945-F2949 HydrophobicContact CG-CD2 3.97Å; M2945-F2949 HydrophobicContact CG-CE2 4.33Å; M2945-F2949 WeakPolarHBondContact O-CB 3.33Å; M2945-F2949 WeakPolarHBondContact O-CD2 3.22Å; M2945-F2949 PolarHBondContact O-N 2.83Å; M2945-F2950 HydrophobicContact CE-CE2 4.39Å; M2945-F2950 HydrophobicContact CE-CZ 4.44Å; M2945-F2950 HydrophobicContact SD-CE2 4.16Å |
| 2946 | R | 72.2 | Confident | 67.9 | Low | 73.6667 Ų | 73.6667 | 95.1 Ų | 95.1 | 28% | 0.278 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68 | -46.6 | 176.5 | -77.5 | 174.3 | 154.9 | 170.7 | -15.2 | 113.1 | R2942 A2943 I2944 L2948 F2950 G2951 E2952 E2954 | R2942-R2946 HydrophobicContact CG-CG 4.37Å; R2942-R2946 VanDerWaalsContact CZ-CZ 3.48Å; R2942-R2946 VanDerWaalsContact CZ-NH2 3.31Å; R2942-R2946 VanDerWaalsContact NE-NH2 3.15Å; R2942-R2946 WeakPolarHBondContact O-CB 3.46Å; R2942-R2946 WeakPolarHBondContact O-CG 3.48Å; R2942-R2946 PolarHBondContact O-N 3.18Å; A2943-R2946 PolarHBondContact O-N 3.02Å; A2943-R2946 VanDerWaalsContact O-N 3.1Å; I2944-R2946 VanDerWaalsContact C-N 3.31Å; I2944-R2946 PolarHBondContact O-N 3.14Å; R2946-L2948 VanDerWaalsContact C-N 3.31Å; R2946-L2948 PolarHBondContact O-N 2.84Å; R2946-F2950 HydrophobicContact CB-CD2 4.42Å; R2946-F2950 HydrophobicContact CG-CD2 4.15Å; R2946-F2950 CarbonylContact O-C 3.51Å; R2946-F2950 WeakPolarHBondContact O-CA 3.36Å; R2946-F2950 WeakPolarHBondContact O-CB 3.36Å; R2946-F2950 PolarHBondContact O-N 3.34Å; R2946-G2951 PolarHBondContact O-N 3.06Å; R2946-G2951 VanDerWaalsContact O-N 3.13Å; R2946-E2952 IonicContact CZ-OE2 3.42Å; R2946-E2952 IonicContact NE-OE2 3.31Å; R2946-E2952 PolarHBondContact NE-OE2 3.03Å; R2946-E2952 IonicContact NH2-OE1 3.69Å; R2946-E2952 IonicContact NH2-OE2 2.65Å; R2946-E2952 PolarHBondContact NH2-OE2 3.04Å; R2946-E2954 IonicContact NH1-OE1 3.44Å; R2946-E2954 PolarHBondContact NH1-OE1 2.8Å |
| 2947 | R | 69.3 | Low | 65.5 | Low | 58 Ų | 58 | 102.5 Ų | 102.5 | 22% | 0.219 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 180 | -68.8 | -178 | -172.3 | 155.3 | 5.1 | 111.5 | E2712 L2715 E2716 A2943 I2944 G2951 | E2712-R2947 PolarHBondContact O-NH1 2.82Å; L2715-R2947 HydrophobicContact CD1-CB 4.29Å; E2716-R2947 VanDerWaalsContact CG-NH1 3.27Å; E2716-R2947 IonicContact OE1-CZ 2.64Å; E2716-R2947 IonicContact OE1-NH1 2.7Å; E2716-R2947 IonicContact OE1-NH2 3.14Å; E2716-R2947 PolarHBondContact OE1-NH2 2.88Å; A2943-R2947 WeakPolarHBondContact O-CB 3.24Å; A2943-R2947 WeakPolarHBondContact O-CG 3.31Å; A2943-R2947 PolarHBondContact O-N 3.21Å; I2944-R2947 PolarHBondContact O-N 2.99Å; R2947-G2951 WeakPolarHBondContact O-CA 3.43Å; R2947-G2951 PolarHBondContact O-N 3.13Å |
| 2948 | L | 67.3 | Low | 63.4 | Low | 116 Ų | 116 | 99.4 Ų | 99.4 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -79.1 | -36.6 | -176.5 | -134.7 | 155.5 | 0 | 0 | 0 | 114 | I2944 R2946 | I2944-L2948 HydrophobicContact CG2-CD1 4.01Å; I2944-L2948 HydrophobicContact CG2-CG 4.13Å; I2944-L2948 VanDerWaalsContact O-CB 3.31Å; I2944-L2948 WeakPolarHBondContact O-CB 3.32Å; I2944-L2948 WeakPolarHBondContact O-CG 3.3Å; I2944-L2948 PolarHBondContact O-N 3.14Å; R2946-L2948 VanDerWaalsContact C-N 3.31Å; R2946-L2948 PolarHBondContact O-N 2.84Å |
| 2949 | F | 65.6 | Low | 61.3 | Low | 157.333 Ų | 157.333 | 108.1 Ų | 108.1 | 69% | 0.69 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -104.4 | -30 | -176.9 | -68.2 | -81.2 | 0 | 0 | 0 | 114.9 | M2945 | M2945-F2949 HydrophobicContact CG-CD2 3.97Å; M2945-F2949 HydrophobicContact CG-CE2 4.33Å; M2945-F2949 WeakPolarHBondContact O-CB 3.33Å; M2945-F2949 WeakPolarHBondContact O-CD2 3.22Å; M2945-F2949 PolarHBondContact O-N 2.83Å |
| 2950 | F | 61.6 | Low | 58.8 | Low | 137.333 Ų | 137.333 | 111.4 Ų | 111.4 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | I | π-helix | trans | -109.7 | -16.6 | -176.4 | -58.1 | -55.6 | 0 | 0 | 0 | 113.8 | M2945 R2946 E2952 | M2945-F2950 HydrophobicContact CE-CE2 4.39Å; M2945-F2950 HydrophobicContact CE-CZ 4.44Å; M2945-F2950 HydrophobicContact SD-CE2 4.16Å; R2946-F2950 HydrophobicContact CB-CD2 4.42Å; R2946-F2950 HydrophobicContact CG-CD2 4.15Å; R2946-F2950 CarbonylContact O-C 3.51Å; R2946-F2950 WeakPolarHBondContact O-CA 3.36Å; R2946-F2950 WeakPolarHBondContact O-CB 3.36Å; R2946-F2950 PolarHBondContact O-N 3.34Å; F2950-E2952 VanDerWaalsContact C-N 3.27Å; F2950-E2952 HydrophobicContact CB-CG 4.43Å; F2950-E2952 PolarHBondContact O-N 2.87Å |
| 2951 | G | 57.8 | Low | 56.3 | Low | 58 Ų | 58 | 113.2 Ų | 113.2 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | trans | 66.4 | 18.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | R2946 R2947 E2953 | R2946-G2951 PolarHBondContact O-N 3.06Å; R2946-G2951 VanDerWaalsContact O-N 3.13Å; R2947-G2951 WeakPolarHBondContact O-CA 3.43Å; R2947-G2951 PolarHBondContact O-N 3.13Å; G2951-E2953 PolarHBondContact O-N 3.13Å | ||
| 2952 | E | 55.5 | Low | 54.4 | Low | 108.667 Ų | 108.667 | 116 Ų | 116 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | trans | -72.7 | 110.7 | 179.4 | -78.5 | -171.9 | 138.2 | 0 | 0 | 111.3 | R2946 F2950 | R2946-E2952 IonicContact CZ-OE2 3.42Å; R2946-E2952 IonicContact NE-OE2 3.31Å; R2946-E2952 PolarHBondContact NE-OE2 3.03Å; R2946-E2952 IonicContact NH2-OE1 3.69Å; R2946-E2952 IonicContact NH2-OE2 2.65Å; R2946-E2952 PolarHBondContact NH2-OE2 3.04Å; F2950-E2952 VanDerWaalsContact C-N 3.27Å; F2950-E2952 HydrophobicContact CB-CG 4.43Å; F2950-E2952 PolarHBondContact O-N 2.87Å | ||
| 2953 | E | 54.8 | Low | 52.2 | Low | 124.333 Ų | 124.333 | 121.5 Ų | 121.5 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | trans | -75.9 | 128.2 | 159.8 | -70.8 | -173.2 | 145.9 | 0 | 0 | 109.7 | S2719 G2951 R2955 | S2719-E2953 PolarHBondContact OG-OE1 3.49Å; G2951-E2953 PolarHBondContact O-N 3.13Å; E2953-R2955 PolarHBondContact O-N 3.05Å | ||
| 2954 | E | 50.4 | Low | 50.5 | Low | 147.667 Ų | 147.667 | 127.6 Ų | 127.6 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | -68.5 | 98.9 | 177.9 | -71.7 | -167.6 | 147.1 | 0 | 0 | 111 | R2946 S2956 | R2946-E2954 IonicContact NH1-OE1 3.44Å; R2946-E2954 PolarHBondContact NH1-OE1 2.8Å; E2954-S2956 PolarHBondContact O-N 2.84Å; E2954-S2956 VanDerWaalsContact O-N 3.12Å | ||
| 2955 | R | 44.3 | Very low | 48.4 | Very low | 236 Ų | 236 | 133.8 Ų | 133.8 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | trans | -64.6 | 108.3 | 162.6 | -77.4 | -175.5 | 175.9 | 174.3 | -0.8 | 109.1 | E2953 K2957 | E2953-R2955 PolarHBondContact O-N 3.05Å; R2955-K2957 PolarHBondContact O-N 3.08Å | ||
| 2956 | S | 42.5 | Very low | 46.7 | Very low | 115.667 Ų | 115.667 | 141.2 Ų | 141.2 | 81% | 0.809 | 70% | 0.7 | S | S | * | * | trans | -56.5 | 116 | 171.8 | 48 | 0 | 0 | 0 | 0 | 110.4 | E2954 G2958 | E2954-S2956 PolarHBondContact O-N 2.84Å; E2954-S2956 VanDerWaalsContact O-N 3.12Å; S2956-G2958 PolarHBondContact O-N 2.94Å | ||
| 2957 | K | 33.6 | Very low | 45 | Very low | 216.333 Ų | 216.333 | 143.4 Ų | 143.4 | 94% | 0.941 | 72% | 0.724 | S | S | * | * | trans | -81 | 88.3 | 170.3 | -74 | -177.5 | 177.2 | 178.2 | 0 | 109.1 | R2955 | R2955-K2957 PolarHBondContact O-N 3.08Š| ||
| 2958 | G | 35.4 | Very low | 43.2 | Very low | 63.6667 Ų | 63.6667 | 147.2 Ų | 147.2 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | trans | -128.6 | 114.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2956 | S2956-G2958 PolarHBondContact O-N 2.94Š| ||
| 2959 | Q | 35.2 | Very low | 41.8 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | 33.3 | 103.2 | 153.8 | -65.7 | 173.5 | -16 | 0 | 0 | 118.3 | N2961 | Q2959-N2961 VanDerWaalsContact C-N 3.34Å; Q2959-N2961 PolarHBondContact O-N 2.9Å | ||
| 2960 | S | 32.4 | Very low | 40.1 | Very low | 112.667 Ų | 112.667 | 150.7 Ų | 150.7 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | -122.6 | 103 | 120.2 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | V2962 | S2960-V2962 VanDerWaalsContact C-N 3.27Å; S2960-V2962 PolarHBondContact O-N 3.32Å | |||
| 2961 | N | 30.7 | Very low | 38.9 | Very low | 161.333 Ų | 161.333 | 149.7 Ų | 149.7 | 86% | 0.863 | 77% | 0.774 | S | S | * | * | trans | -119.8 | 87.3 | 167 | -97.5 | -17.5 | 0 | 0 | 0 | 110.2 | Q2959 | Q2959-N2961 VanDerWaalsContact C-N 3.34Å; Q2959-N2961 PolarHBondContact O-N 2.9Å | ||
| 2962 | V | 37.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -138.2 | 109.8 | 167.1 | -175.5 | 0 | 0 | 0 | 0 | 110 | S2960 I2964 | S2960-V2962 VanDerWaalsContact C-N 3.27Å; S2960-V2962 PolarHBondContact O-N 3.32Å; V2962-I2964 HydrophobicContact CG1-CD1 4.46Å; V2962-I2964 HydrophobicContact CG1-CG1 4.2Å | ||
| 2963 | R | 30.3 | Very low | 36.9 | Very low | 233 Ų | 233 | 153.3 Ų | 153.3 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -38.6 | 124.1 | 158.9 | -66.1 | 173.7 | 175.1 | 173.4 | -2.8 | 112.3 | ||||
| 2964 | I | 36.9 | Very low | 35.9 | Very low | 151.333 Ų | 151.333 | 152.5 Ų | 152.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -156.8 | 114 | 130.7 | -62.2 | 175.2 | 0 | 0 | 0 | 110.8 | V2962 | V2962-I2964 HydrophobicContact CG1-CD1 4.46Å; V2962-I2964 HydrophobicContact CG1-CG1 4.2Å | ||
| 2965 | N | 33.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -69.9 | 136.4 | 157 | -72.9 | -20.4 | 0 | 0 | 0 | 113.2 | ||||
| 2966 | R | 32.8 | Very low | 34.4 | Very low | 222.333 Ų | 222.333 | 146.5 Ų | 146.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | -92.5 | 149.3 | 124 | -99.2 | -179 | 174.4 | -169.2 | -2.9 | 111 | D2968 | R2966-D2968 WeakPolarHBondContact CD-OD2 3.46Å; R2966-D2968 IonicContact CZ-OD1 2.8Å; R2966-D2968 IonicContact CZ-OD2 2.74Å; R2966-D2968 IonicContact NE-OD1 3.88Å; R2966-D2968 IonicContact NE-OD2 3.89Å; R2966-D2968 PolarHBondContact NE-OD2 3.42Å; R2966-D2968 IonicContact NH1-OD1 2.66Å; R2966-D2968 PolarHBondContact NH1-OD1 3.5Å; R2966-D2968 IonicContact NH1-OD2 3.69Å; R2966-D2968 PolarHBondContact NH1-OD2 2.99Å; R2966-D2968 IonicContact NH2-OD1 2.73Å; R2966-D2968 PolarHBondContact NH2-OD1 2.7Å; R2966-D2968 IonicContact NH2-OD2 3.72Å | |||
| 2967 | P | 36.6 | Very low | 33.7 | Very low | 121.333 Ų | 121.333 | 148.9 Ų | 148.9 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -91.4 | 174.2 | -172.1 | 36.7 | -36.1 | 0 | 0 | 0 | 115.1 | ||||
| 2968 | D | 31.6 | Very low | 33.6 | Very low | 136.667 Ų | 136.667 | 148.6 Ų | 148.6 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 137.4 | -178.8 | -61.8 | -65.4 | 0 | 0 | 0 | 116.5 | R2966 | R2966-D2968 WeakPolarHBondContact CD-OD2 3.46Å; R2966-D2968 IonicContact CZ-OD1 2.8Å; R2966-D2968 IonicContact CZ-OD2 2.74Å; R2966-D2968 IonicContact NE-OD1 3.88Å; R2966-D2968 IonicContact NE-OD2 3.89Å; R2966-D2968 PolarHBondContact NE-OD2 3.42Å; R2966-D2968 IonicContact NH1-OD1 2.66Å; R2966-D2968 PolarHBondContact NH1-OD1 3.5Å; R2966-D2968 IonicContact NH1-OD2 3.69Å; R2966-D2968 PolarHBondContact NH1-OD2 2.99Å; R2966-D2968 IonicContact NH2-OD1 2.73Å; R2966-D2968 PolarHBondContact NH2-OD1 2.7Å; R2966-D2968 IonicContact NH2-OD2 3.72Å | ||
| 2969 | Q | 37.7 | Very low | 33.1 | Very low | 179.333 Ų | 179.333 | 155.9 Ų | 155.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -155.9 | 119.9 | 138.2 | -110.2 | -178 | -3.9 | 0 | 0 | 110.1 | ||||
| 2970 | E | 31.8 | Very low | 32.9 | Very low | 168.667 Ų | 168.667 | 153.8 Ų | 153.8 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | 76.3 | 108.9 | 129.8 | -92.4 | 171.9 | -172.3 | 0 | 0 | 117.3 | |||||
| 2971 | S | 34.6 | Very low | 32.7 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 142 | 141.1 | 132.1 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2972 | P | 36.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -95.4 | 146.3 | -148.3 | 36.8 | -30.7 | 0 | 0 | 0 | 110.4 | ||||
| 2973 | V | 34.9 | Very low | 32.4 | Very low | 131.333 Ų | 131.333 | 153.5 Ų | 153.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 158.4 | 139.4 | 91.1 | -150.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 2974 | P | 33.8 | Very low | 32.8 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | -116.5 | 168.8 | -179.3 | 34 | -17.8 | 0 | 0 | 0 | 114 | ||||
| 2975 | N | 28.7 | Very low | 32.8 | Very low | 134.333 Ų | 134.333 | 146.6 Ų | 146.6 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | 73.7 | 136.7 | 131.4 | -81.1 | -30 | 0 | 0 | 0 | 117.2 | K2977 | N2975-K2977 WeakPolarHBondContact OD1-CE 3.36Å; N2975-K2977 PolarHBondContact OD1-NZ 3.41Å | ||
| 2976 | V | 35 | Very low | 32.9 | Very low | 122.667 Ų | 122.667 | 144.6 Ų | 144.6 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | 167.4 | 119.6 | 90.9 | 150.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 2977 | K | 28.5 | Very low | 33 | Very low | 167.333 Ų | 167.333 | 139.7 Ų | 139.7 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | 3.4 | 140.6 | 128.8 | -65.7 | 170.2 | 178 | 167.8 | 0 | 115.3 | N2975 | N2975-K2977 WeakPolarHBondContact OD1-CE 3.36Å; N2975-K2977 PolarHBondContact OD1-NZ 3.41Å | |||
| 2978 | R | 30.1 | Very low | 32.9 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | trans | 109.1 | 111.8 | 145.4 | -73.7 | 167.4 | 180 | 156.4 | -1.9 | 113 | ||||
| 2979 | R | 26.3 | Very low | 32.9 | Very low | 216.667 Ų | 216.667 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 62.3 | 154.4 | 90.8 | -90.4 | -176.8 | -178.9 | 175.3 | -1.6 | 113 | |||||
| 2980 | H | 29.9 | Very low | 32.5 | Very low | 148.333 Ų | 148.333 | 136.1 Ų | 136.1 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | 83.3 | 107.1 | 170 | -52 | -66.2 | 0 | 0 | 0 | 113.4 | ||||
| 2981 | S | 28.5 | Very low | 32.6 | Very low | 88.3333 Ų | 88.3333 | 135 Ų | 135 | 62% | 0.618 | 76% | 0.762 | S | S | * | * | cis | 101.9 | 116.2 | 46.5 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2982 | F | 31.7 | Very low | 32.3 | Very low | 196.333 Ų | 196.333 | 135 Ų | 135 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -174.2 | 114.1 | 154.4 | -67.5 | -71.8 | 0 | 0 | 0 | 109.4 | ||||
| 2983 | S | 30.7 | Very low | 32.1 | Very low | 109.667 Ų | 109.667 | 134.6 Ų | 134.6 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | 71.8 | 114 | 85.7 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2984 | S | 38.2 | Very low | 31.8 | Very low | 108.667 Ų | 108.667 | 134.2 Ų | 134.2 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -162 | 126.6 | 72.1 | 34.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 2985 | V | 36.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -46.5 | 146.9 | 138.2 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2986 | P | 36.6 | Very low | 31.8 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -145.2 | 164.3 | 42.7 | 33.4 | -9.7 | 0 | 0 | 0 | 116.6 | ||||
| 2987 | V | 34.9 | Very low | 31.6 | Very low | 119.667 Ų | 119.667 | 134.9 Ų | 134.9 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | trans | 78 | 120.4 | 133.2 | -176.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2988 | T | 34.6 | Very low | 31.6 | Very low | 133.667 Ų | 133.667 | 135.6 Ų | 135.6 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | cis | -174.5 | 152.3 | 40.7 | 29.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 2989 | G | 31.8 | Very low | 31.5 | Very low | 66.3333 Ų | 66.3333 | 135 Ų | 135 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | -30.1 | 142.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2990 | D | 29.1 | Very low | 31.6 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | -143.9 | 137.6 | 129.4 | -69.5 | -49 | 0 | 0 | 0 | 112.3 | |||||
| 2991 | V | 32.1 | Very low | 31.6 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -117.2 | 122.5 | 156.2 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | A2993 | V2991-A2993 PolarHBondContact O-N 2.88Š| ||
| 2992 | S | 29.6 | Very low | 31.5 | Very low | 115.667 Ų | 115.667 | 134.4 Ų | 134.4 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | trans | -123.2 | 128.4 | 164.6 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2993 | A | 32.7 | Very low | 31.3 | Very low | 101.667 Ų | 101.667 | 129.4 Ų | 129.4 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 172.7 | 126.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V2991 | V2991-A2993 PolarHBondContact O-N 2.88Š| ||
| 2994 | S | 28.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -106.3 | 128.9 | 169.8 | 149 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2995 | S | 31.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -114.5 | 122.8 | 167 | 72 | 0 | 0 | 0 | 0 | 111.9 | H2997 | S2995-H2997 PolarHBondContact O-N 2.99Š| ||
| 2996 | S | 31.3 | Very low | 30.8 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 110.9 | 161.1 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2997 | H | 29.4 | Very low | 30.9 | Very low | 166.667 Ų | 166.667 | 130.5 Ų | 130.5 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | trans | -36.7 | 116.2 | 155.3 | -71.1 | -94.5 | 0 | 0 | 0 | 115.1 | S2995 | S2995-H2997 PolarHBondContact O-N 2.99Š| ||
| 2998 | F | 28.5 | Very low | 30.8 | Very low | 183.333 Ų | 183.333 | 132.1 Ų | 132.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 130.2 | 141.5 | -79.5 | -76.7 | 0 | 0 | 0 | 108.3 | ||||
| 2999 | F | 28.9 | Very low | 30.7 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 34.7 | 104.9 | 163.4 | -64.9 | -90.3 | 0 | 0 | 0 | 115.3 | ||||
| 3000 | T | 27.9 | Very low | 30.8 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 111 | 154 | -41.6 | 0 | 0 | 0 | 0 | 107.3 | Q3002 | T3000-Q3002 PolarHBondContact O-N 3.08Å; T3000-Q3002 VanDerWaalsContact O-N 3.14Å | ||
| 3001 | C | 29.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 116.1 | 169.9 | -65.6 | 0 | 0 | 0 | 0 | 108.7 | S3003 | C3001-S3003 PolarHBondContact O-N 3.03Š| ||
| 3002 | Q | 27.4 | Very low | 30.9 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 110.9 | 163.8 | -72.2 | 179.9 | -1.6 | 0 | 0 | 108.2 | T3000 | T3000-Q3002 PolarHBondContact O-N 3.08Å; T3000-Q3002 VanDerWaalsContact O-N 3.14Å | ||
| 3003 | S | 27.6 | Very low | 31 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | -127.4 | 136.8 | 157.4 | 87.7 | 0 | 0 | 0 | 0 | 106.7 | C3001 | C3001-S3003 PolarHBondContact O-N 3.03Š| ||
| 3004 | N | 30 | Very low | 30.8 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | 163.4 | 120.8 | 92.1 | -67.8 | -21.4 | 0 | 0 | 0 | 111.3 | A3006 | N3004-A3006 HydrophobicContact CB-CB 4.49Å; N3004-A3006 PolarHBondContact O-N 3.05Å | |||
| 3005 | S | 30.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 141 Ų | 141 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.4 | 48.5 | 163.5 | 68 | 0 | 0 | 0 | 0 | 114.6 | ||
| 3006 | A | 34.3 | Very low | 31 | Very low | 80.5 Ų | 80.5 | 145.5 Ų | 145.5 | 67% | 0.665 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N3004 | N3004-A3006 HydrophobicContact CB-CB 4.49Å; N3004-A3006 PolarHBondContact O-N 3.05Å |
| 3007 | I | 38 | Very low | 31.1 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -97.4 | -9.9 | -174.1 | -65.9 | 177.1 | 0 | 0 | 0 | 113.7 | R3009 | I3007-R3009 VanDerWaalsContact C-N 3.32Å; I3007-R3009 PolarHBondContact O-N 2.79Å |
| 3008 | D | 33.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 19.1 | -177.8 | -81.4 | -19.3 | 0 | 0 | 0 | 115.9 | ||
| 3009 | R | 32.6 | Very low | 31.9 | Very low | 238 Ų | 238 | 142.7 Ų | 142.7 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | 9.3 | 174.9 | -78.1 | -168.6 | 179.3 | 177.6 | 0.4 | 116.2 | I3007 | I3007-R3009 VanDerWaalsContact C-N 3.32Å; I3007-R3009 PolarHBondContact O-N 2.79Å |
| 3010 | L | 34.3 | Very low | 33.2 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -115.5 | 52.4 | 175.1 | -78.2 | 156 | 0 | 0 | 0 | 111 | ||||
| 3011 | T | 31.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -115.5 | 59.3 | 167.5 | 38.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3012 | Q | 31.7 | Very low | 36.9 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -173.4 | 78.4 | 163.9 | -108.4 | 167.2 | 28.9 | 0 | 0 | 109.9 | ||
| 3013 | A | 32.4 | Very low | 39.4 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 176.5 | 118.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A3015 | A3013-A3015 PolarHBondContact O-N 3.13Š|
| 3014 | S | 27.6 | Very low | 42.2 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | trans | -66.5 | 110.4 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3015 | A | 31.6 | Very low | 44.9 | Very low | 90.5 Ų | 90.5 | 117.9 Ų | 117.9 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | trans | -169.1 | 111.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A3013 | A3013-A3015 PolarHBondContact O-N 3.13Š| ||
| 3016 | K | 33.1 | Very low | 47.8 | Very low | 202 Ų | 202 | 114.2 Ų | 114.2 | 88% | 0.878 | 63% | 0.631 | S | S | * | * | trans | -75.1 | 126.7 | 175.2 | -70.6 | 176.4 | 178.3 | 175.4 | 0 | 109.7 | V3018 | K3016-V3018 PolarHBondContact O-N 3.03Š| ||
| 3017 | P | 33.3 | Very low | 50.5 | Low | 101 Ų | 101 | 112.5 Ų | 112.5 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | trans | -70.6 | 121.8 | 172.5 | 27.4 | -31.4 | 0 | 0 | 0 | 110.3 | F3019 | P3017-F3019 HydrophobicContact CB-CE2 4.4Å; P3017-F3019 HydrophobicContact CG-CE2 3.98Å; P3017-F3019 PolarHBondContact O-N 3.41Å | ||
| 3018 | V | 33.7 | Very low | 53.2 | Low | 131.5 Ų | 131.5 | 108.3 Ų | 108.3 | 80% | 0.797 | 59% | 0.593 | S | S | * | * | trans | -71.7 | 107.8 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | K3016 | K3016-V3018 PolarHBondContact O-N 3.03Š| ||
| 3019 | F | 40.6 | Very low | 56.1 | Low | 164.5 Ų | 164.5 | 102.5 Ų | 102.5 | 72% | 0.721 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 116.9 | 174.8 | -81.4 | -84.8 | 0 | 0 | 0 | 110.1 | P3017 | P3017-F3019 HydrophobicContact CB-CE2 4.4Å; P3017-F3019 HydrophobicContact CG-CE2 3.98Å; P3017-F3019 PolarHBondContact O-N 3.41Å |
| 3020 | S | 56.6 | Low | 59 | Low | 89 Ų | 89 | 93.1 Ų | 93.1 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 129.3 | 167.7 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | M2905 | M2905-S3020 WeakPolarHBondContact O-CB 3.22Š|
| 3021 | G | 62.4 | Low | 61.8 | Low | 8 Ų | 8 | 87.8 Ų | 87.8 | 8% | 0.082 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 147 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G2906 S2907 S3065 | G2906-G3021 CarbonylContact C-O 3.53Å; G2906-G3021 WeakPolarHBondContact CA-O 3.46Å; S2907-G3021 PolarHBondContact N-O 3.03Å; G3021-S3065 WeakPolarHBondContact CA-OG 3.32Å |
| 3022 | W | 73.4 | Confident | 64.8 | Low | 124.5 Ų | 124.5 | 82.5 Ų | 82.5 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.7 | 170.1 | 67.2 | -98.2 | 0 | 0 | 0 | 110.7 | S2907 A3024 V3063 T3064 S3065 | S2907-W3022 CarbonylContact O-C 3.51Å; S2907-W3022 VanDerWaalsContact O-CA 3.29Å; S2907-W3022 WeakPolarHBondContact O-CA 3.36Å; W3022-A3024 HydrophobicContact CE3-CB 4.15Å; W3022-A3024 HydrophobicContact CZ3-CB 3.73Å; W3022-V3063 HydrophobicContact CH2-CB 4.06Å; W3022-V3063 HydrophobicContact CH2-CG1 3.46Å; W3022-V3063 VanDerWaalsContact CH2-CG1 3.46Å; W3022-V3063 HydrophobicContact CZ2-CG1 4.43Å; W3022-V3063 HydrophobicContact CZ3-CB 4.01Å; W3022-V3063 HydrophobicContact CZ3-CG1 3.91Å; W3022-T3064 CarbonylContact O-C 3.56Å; W3022-T3064 WeakPolarHBondContact O-CA 3.23Å; W3022-S3065 PolarHBondContact N-OG 2.83Å; W3022-S3065 PolarHBondContact O-N 3.15Å |
| 3023 | Q | 79.8 | Confident | 67.8 | Low | 38.5 Ų | 38.5 | 78.3 Ų | 78.3 | 18% | 0.18 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.7 | 176.2 | -71.1 | -177.7 | -3.3 | 0 | 0 | 109.6 | F2888 S2907 R2908 V2909 F3025 F3062 V3063 T3064 | F2888-Q3023 VanDerWaalsContact CZ-CD 3.5Å; F2888-Q3023 HydrophobicContact CZ-CG 4.13Å; S2907-Q3023 PolarHBondContact O-N 3.08Å; R2908-Q3023 CarbonylContact C-O 3.5Å; R2908-Q3023 WeakPolarHBondContact CA-O 3.36Å; R2908-Q3023 HydrophobicContact CG-CB 4.37Å; V2909-Q3023 PolarHBondContact N-O 3.09Å; Q3023-F3025 HydrophobicContact CB-CE2 4.17Å; Q3023-F3062 HydrophobicContact CB-CE2 4.26Å; Q3023-F3062 HydrophobicContact CG-CE2 4.3Å; Q3023-V3063 CarbonylContact C-O 3.46Å; Q3023-V3063 WeakPolarHBondContact CA-O 3.36Å; Q3023-T3064 HydrophobicContact CG-CG2 3.89Å |
| 3024 | A | 85.5 | Confident | 70.7 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 22% | 0.223 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V2909 W3022 F3062 V3063 | V2909-A3024 CarbonylContact O-C 3.55Å; V2909-A3024 WeakPolarHBondContact O-CA 3.38Å; W3022-A3024 HydrophobicContact CE3-CB 4.15Å; W3022-A3024 HydrophobicContact CZ3-CB 3.73Å; A3024-F3062 WeakPolarHBondContact O-CA 3.26Å; A3024-V3063 PolarHBondContact N-O 3.29Å; A3024-V3063 PolarHBondContact O-N 2.91Å |
| 3025 | F | 87.7 | Confident | 73.9 | Confident | 50.5 Ų | 50.5 | 74 Ų | 74 | 22% | 0.221 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117 | 173.2 | -118 | -105.5 | 0 | 0 | 0 | 109.2 | R2908 V2909 Q2910 F2911 Q3023 I3027 F3062 | R2908-F3025 HydrophobicContact CG-CD2 4.02Å; R2908-F3025 HydrophobicContact CG-CE2 3.98Å; R2908-F3025 VanDerWaalsContact CZ-CE2 3.47Å; V2909-F3025 PolarHBondContact O-N 2.99Å; Q2910-F3025 CarbonylContact C-O 3.57Å; Q2910-F3025 WeakPolarHBondContact CA-O 3.41Å; Q2910-F3025 HydrophobicContact CG-CB 4.38Å; Q2910-F3025 HydrophobicContact CG-CD1 4.31Å; F2911-F3025 PolarHBondContact N-O 2.91Å; Q3023-F3025 HydrophobicContact CB-CE2 4.17Å; F3025-I3027 HydrophobicContact CD1-CD1 3.82Å; F3025-I3027 HydrophobicContact CD1-CG1 3.63Å; F3025-I3027 HydrophobicContact CE1-CD1 3.28Å; F3025-I3027 HydrophobicContact CE1-CG1 3.27Å; F3025-I3027 HydrophobicContact CZ-CD1 4.25Å; F3025-I3027 HydrophobicContact CZ-CG1 4Å; F3025-F3062 HydrophobicContact CD1-CB 4.24Å; F3025-F3062 AromaticContact CD1-CD2 3.43Å; F3025-F3062 HydrophobicContact CD1-CD2 3.43Å; F3025-F3062 VanDerWaalsContact CD1-CD2 3.43Å; F3025-F3062 HydrophobicContact CD1-CE2 4.13Å; F3025-F3062 HydrophobicContact CD1-CG 4.16Å; F3025-F3062 HydrophobicContact CD2-CB 4.09Å; F3025-F3062 AromaticContact CD2-CD2 3.97Å; F3025-F3062 HydrophobicContact CD2-CD2 3.97Å; F3025-F3062 HydrophobicContact CD2-CE2 4.07Å; F3025-F3062 HydrophobicContact CE1-CB 4.32Å; F3025-F3062 AromaticContact CE1-CD2 3.09Å; F3025-F3062 HydrophobicContact CE1-CD2 3.09Å; F3025-F3062 AromaticContact CE1-CE2 3.43Å; F3025-F3062 HydrophobicContact CE1-CE2 3.43Å; F3025-F3062 VanDerWaalsContact CE1-CE2 3.43Å; F3025-F3062 AromaticContact CE1-CG 3.82Å; F3025-F3062 HydrophobicContact CE1-CG 3.82Å; F3025-F3062 HydrophobicContact CE1-CZ 4.36Å; F3025-F3062 HydrophobicContact CE2-CB 4.44Å; F3025-F3062 AromaticContact CE2-CD2 3.65Å; F3025-F3062 HydrophobicContact CE2-CD2 3.65Å; F3025-F3062 AromaticContact CE2-CE2 3.35Å; F3025-F3062 HydrophobicContact CE2-CE2 3.35Å; F3025-F3062 HydrophobicContact CE2-CZ 4.48Å; F3025-F3062 AromaticContact CG-CD2 3.87Å; F3025-F3062 HydrophobicContact CG-CD2 3.87Å; F3025-F3062 HydrophobicContact CG-CE2 4.43Å; F3025-F3062 AromaticContact CZ-CD2 3.23Å; F3025-F3062 HydrophobicContact CZ-CD2 3.23Å; F3025-F3062 AromaticContact CZ-CE2 3Å; F3025-F3062 HydrophobicContact CZ-CE2 3Å; F3025-F3062 HydrophobicContact CZ-CG 4.28Å; F3025-F3062 AromaticContact CZ-CZ 3.91Å; F3025-F3062 HydrophobicContact CZ-CZ 3.91Å |
| 3026 | V | 90.4 | Very high | 76.9 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.6 | 177.4 | 175 | 0 | 0 | 0 | 0 | 108.7 | F2911 K3060 I3061 | F2911-V3026 HydrophobicContact CB-CG2 4.4Å; F2911-V3026 HydrophobicContact CD1-CG1 4.14Å; F2911-V3026 HydrophobicContact CD1-CG2 4.46Å; F2911-V3026 CarbonylContact O-C 3.58Å; F2911-V3026 VanDerWaalsContact O-CA 3.31Å; F2911-V3026 WeakPolarHBondContact O-CA 3.35Å; V3026-K3060 CarbonylContact O-C 3.48Å; V3026-K3060 WeakPolarHBondContact O-CA 3.36Å; V3026-I3061 HydrophobicContact CB-CB 4.24Å; V3026-I3061 PolarHBondContact N-O 3.15Å; V3026-I3061 PolarHBondContact O-N 3.08Å |
| 3027 | I | 91.6 | Very high | 79.8 | Confident | 46.5 Ų | 46.5 | 61.8 Ų | 61.8 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.2 | 174.7 | -52.1 | 173.9 | 0 | 0 | 0 | 107.9 | F2911 S2912 V2913 F3025 G3059 K3060 | F2911-I3027 PolarHBondContact O-N 2.78Å; S2912-I3027 CarbonylContact C-O 3.5Å; S2912-I3027 VanDerWaalsContact CA-O 3.27Å; S2912-I3027 WeakPolarHBondContact CA-O 3.44Å; V2913-I3027 PolarHBondContact N-O 2.96Å; F3025-I3027 HydrophobicContact CD1-CD1 3.82Å; F3025-I3027 HydrophobicContact CD1-CG1 3.63Å; F3025-I3027 HydrophobicContact CE1-CD1 3.28Å; F3025-I3027 HydrophobicContact CE1-CG1 3.27Å; F3025-I3027 HydrophobicContact CZ-CD1 4.25Å; F3025-I3027 HydrophobicContact CZ-CG1 4Å; I3027-G3059 CarbonylContact C-O 3.56Å; I3027-G3059 WeakPolarHBondContact CA-O 3.41Å; I3027-K3060 HydrophobicContact CG1-CG 4.46Å; I3027-K3060 HydrophobicContact CG2-CG 4.46Å |
| 3028 | C | 93.5 | Very high | 82.6 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.5 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | V2913 Q3058 G3059 | V2913-C3028 CarbonylContact O-C 3.53Å; V2913-C3028 VanDerWaalsContact O-CA 3.3Å; V2913-C3028 WeakPolarHBondContact O-CA 3.38Å; C3028-Q3058 CarbonylContact O-C 3.42Å; C3028-Q3058 WeakPolarHBondContact O-CA 3.43Å; C3028-G3059 PolarHBondContact N-O 2.94Å; C3028-G3059 PolarHBondContact O-N 2.95Å |
| 3029 | A | 94.5 | Very high | 85.3 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V2913 S2914 A2915 I3057 | V2913-A3029 PolarHBondContact O-N 2.93Å; S2914-A3029 CarbonylContact C-O 3.48Å; S2914-A3029 WeakPolarHBondContact CA-O 3.42Å; A2915-A3029 PolarHBondContact N-O 3.11Å; A3029-I3057 CarbonylContact C-O 3.54Å; A3029-I3057 WeakPolarHBondContact CA-O 3.43Å |
| 3030 | V | 94.4 | Very high | 87.6 | Confident | 40.5 Ų | 40.5 | 48.1 Ų | 48.1 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.3 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 108 | A2915 V3032 A3056 I3057 | A2915-V3030 HydrophobicContact CB-CG1 4.44Å; A2915-V3030 HydrophobicContact CB-CG2 4.38Å; A2915-V3030 CarbonylContact O-C 3.52Å; A2915-V3030 WeakPolarHBondContact O-CA 3.45Å; V3030-V3032 HydrophobicContact CG1-CG2 4.13Å; V3030-A3056 CarbonylContact O-C 3.51Å; V3030-A3056 WeakPolarHBondContact O-CA 3.48Å; V3030-I3057 HydrophobicContact CB-CB 4.36Å; V3030-I3057 PolarHBondContact N-O 2.96Å; V3030-I3057 PolarHBondContact O-N 3.17Å |
| 3031 | S | 94 | Very high | 89.2 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 33% | 0.329 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.9 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | A2915 H2916 I2917 T3055 | A2915-S3031 PolarHBondContact O-N 3.16Å; H2916-S3031 CarbonylContact C-O 3.44Å; H2916-S3031 VanDerWaalsContact CA-O 3.31Å; H2916-S3031 WeakPolarHBondContact CA-O 3.17Å; I2917-S3031 PolarHBondContact N-O 2.89Å; S3031-T3055 CarbonylContact C-O 3.5Å; S3031-T3055 WeakPolarHBondContact CA-O 3.44Å |
| 3032 | V | 93.2 | Very high | 90.2 | Very high | 9.5 Ų | 9.5 | 45.3 Ų | 45.3 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.1 | 178.4 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | I2917 V3030 I3035 K3054 T3055 | I2917-V3032 HydrophobicContact CB-CB 4.44Å; I2917-V3032 HydrophobicContact CB-CG1 4.02Å; I2917-V3032 HydrophobicContact CB-CG2 4.19Å; I2917-V3032 HydrophobicContact CD1-CG2 4.12Å; I2917-V3032 HydrophobicContact CG1-CG2 4.45Å; I2917-V3032 HydrophobicContact CG2-CG1 4.17Å; I2917-V3032 CarbonylContact O-C 3.46Å; I2917-V3032 VanDerWaalsContact O-CA 3.32Å; I2917-V3032 WeakPolarHBondContact O-CA 3.39Å; V3030-V3032 HydrophobicContact CG1-CG2 4.13Å; V3032-I3035 HydrophobicContact CB-CD1 4.12Å; V3032-I3035 HydrophobicContact CG1-CD1 3.38Å; V3032-I3035 VanDerWaalsContact CG1-CD1 3.45Å; V3032-I3035 HydrophobicContact CG1-CG1 3.44Å; V3032-I3035 VanDerWaalsContact CG1-CG1 3.44Å; V3032-I3035 HydrophobicContact CG2-CD1 4.23Å; V3032-K3054 CarbonylContact O-C 3.52Å; V3032-K3054 WeakPolarHBondContact O-CA 3.36Å; V3032-K3054 PolarHBondContact O-N 3.46Å; V3032-T3055 PolarHBondContact N-O 3.08Å; V3032-T3055 PolarHBondContact O-N 3.01Å |
| 3033 | E | 93.7 | Very high | 90.9 | Very high | 104.5 Ų | 104.5 | 46.5 Ų | 46.5 | 49% | 0.488 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -45 | -178.2 | 167.5 | 176.6 | -150.7 | 0 | 0 | 111.7 | I2917 S2918 R3053 K3054 | I2917-E3033 PolarHBondContact O-N 3.08Å; S2918-E3033 CarbonylContact O-C 3.51Å; S2918-E3033 VanDerWaalsContact O-CB 3.25Å; S2918-E3033 WeakPolarHBondContact O-CB 3.3Å; E3033-R3053 WeakPolarHBondContact O-CA 3.34Å; E3033-K3054 PolarHBondContact O-N 2.81Å |
| 3034 | R | 94.3 | Very high | 91.3 | Very high | 103.5 Ų | 103.5 | 45.6 Ų | 45.6 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 128.4 | 177.4 | -170.4 | 174.8 | 179.3 | 172.5 | -3.7 | 112.9 | S2918 E2919 A2920 L3052 | S2918-R3034 PolarHBondContact O-N 3.12Å; E2919-R3034 WeakPolarHBondContact CA-O 3.35Å; E2919-R3034 HydrophobicContact CG-CB 4.36Å; E2919-R3034 WeakPolarHBondContact OE1-CD 3.41Å; E2919-R3034 IonicContact OE1-CZ 2.72Å; E2919-R3034 IonicContact OE1-NE 2.64Å; E2919-R3034 IonicContact OE1-NH1 3.03Å; A2920-R3034 PolarHBondContact N-O 3.27Å; R3034-L3052 WeakPolarHBondContact CA-O 3.34Å |
| 3035 | I | 93.9 | Very high | 91.5 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.195 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.2 | 167 | -72.4 | 156.8 | 0 | 0 | 0 | 109 | A2920 L2922 V3032 V3037 R3051 L3052 | A2920-I3035 HydrophobicContact CB-CG1 4.25Å; A2920-I3035 CarbonylContact O-C 3.49Å; A2920-I3035 WeakPolarHBondContact O-CA 3.42Å; L2922-I3035 HydrophobicContact CD1-CG2 4.21Å; V3032-I3035 HydrophobicContact CB-CD1 4.12Å; V3032-I3035 HydrophobicContact CG1-CD1 3.38Å; V3032-I3035 VanDerWaalsContact CG1-CD1 3.45Å; V3032-I3035 HydrophobicContact CG1-CG1 3.44Å; V3032-I3035 VanDerWaalsContact CG1-CG1 3.44Å; V3032-I3035 HydrophobicContact CG2-CD1 4.23Å; I3035-V3037 HydrophobicContact CG2-CG2 3.88Å; I3035-R3051 WeakPolarHBondContact O-CA 3.37Å; I3035-L3052 HydrophobicContact CB-CB 4.11Å; I3035-L3052 HydrophobicContact CD1-CD2 4.14Å; I3035-L3052 PolarHBondContact N-O 2.92Å; I3035-L3052 PolarHBondContact O-N 2.7Å |
| 3036 | S | 94.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.7 | 171.8 | -169.7 | 0 | 0 | 0 | 0 | 110 | A2920 T2921 L2922 | A2920-S3036 PolarHBondContact O-N 2.86Å; T2921-S3036 CarbonylContact C-O 3.5Å; T2921-S3036 VanDerWaalsContact CA-O 3.31Å; T2921-S3036 WeakPolarHBondContact CA-O 3.26Å; L2922-S3036 PolarHBondContact N-O 3.21Å |
| 3037 | V | 94 | Very high | 91.6 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.8 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | L2922 F2924 I3035 T3049 W3050 | L2922-V3037 HydrophobicContact CB-CG1 4.46Å; L2922-V3037 HydrophobicContact CB-CG2 4.29Å; L2922-V3037 HydrophobicContact CD1-CG2 4.09Å; L2922-V3037 HydrophobicContact CD2-CG1 3.92Å; L2922-V3037 HydrophobicContact CD2-CG2 4.34Å; L2922-V3037 CarbonylContact O-C 3.51Å; L2922-V3037 WeakPolarHBondContact O-CA 3.44Å; F2924-V3037 HydrophobicContact CD1-CG1 4.19Å; F2924-V3037 HydrophobicContact CE1-CG1 3.9Å; I3035-V3037 HydrophobicContact CG2-CG2 3.88Å; V3037-T3049 CarbonylContact O-C 3.45Å; V3037-T3049 WeakPolarHBondContact O-CA 3.36Å; V3037-W3050 HydrophobicContact CB-CB 4.29Å; V3037-W3050 HydrophobicContact CB-CE3 4.39Å; V3037-W3050 HydrophobicContact CG2-CE3 4.02Å; V3037-W3050 PolarHBondContact N-O 3.03Å; V3037-W3050 PolarHBondContact O-N 2.83Å |
| 3038 | E | 92.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 108 | 174 | -59.1 | -177 | 173.8 | 0 | 0 | 108.5 | L2922 K2923 F2924 T3049 | L2922-E3038 PolarHBondContact O-N 2.75Å; K2923-E3038 CarbonylContact C-O 3.59Å; K2923-E3038 VanDerWaalsContact CA-O 3.26Å; K2923-E3038 WeakPolarHBondContact CA-O 3.34Å; K2923-E3038 VanDerWaalsContact CD-OE2 3.31Å; K2923-E3038 WeakPolarHBondContact CD-OE2 3.33Å; K2923-E3038 WeakPolarHBondContact CE-OE2 3.47Å; K2923-E3038 HydrophobicContact CG-CB 4.2Å; K2923-E3038 IonicContact NZ-OE1 2.77Å; K2923-E3038 IonicContact NZ-OE2 3.85Å; K2923-E3038 PolarHBondContact NZ-OE2 2.84Å; F2924-E3038 PolarHBondContact N-O 2.99Å; E3038-T3049 HydrophobicContact CG-CG2 4.19Å |
| 3039 | A | 91 | Very high | 91.8 | Very high | 2.5 Ų | 2.5 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F2924 M3041 T3048 | F2924-A3039 HydrophobicContact CD1-CB 4.04Å; F2924-A3039 HydrophobicContact CD2-CB 4.41Å; F2924-A3039 HydrophobicContact CE1-CB 3.47Å; F2924-A3039 VanDerWaalsContact CE1-CB 3.47Å; F2924-A3039 HydrophobicContact CE2-CB 3.98Å; F2924-A3039 HydrophobicContact CG-CB 4.47Å; F2924-A3039 HydrophobicContact CZ-CB 3.43Å; F2924-A3039 VanDerWaalsContact CZ-CB 3.47Å; F2924-A3039 WeakPolarHBondContact O-CA 3.42Å; A3039-M3041 HydrophobicContact CB-CE 3.86Å; A3039-M3041 HydrophobicContact CB-CG 4.19Å; A3039-T3048 PolarHBondContact N-O 2.85Å; A3039-T3048 PolarHBondContact O-N 2.84Å |
| 3040 | V | 89.1 | Confident | 91.8 | Very high | 52.5 Ų | 52.5 | 46 Ų | 46 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 105.9 | 167.7 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | F2924 M2926 G3042 G3046 | F2924-V3040 PolarHBondContact O-N 3.09Å; M2926-V3040 VanDerWaalsContact CB-O 3.3Å; M2926-V3040 WeakPolarHBondContact CB-O 3.34Å; M2926-V3040 PolarHBondContact N-O 3.18Å; V3040-G3042 VanDerWaalsContact C-N 3.35Å; V3040-G3042 PolarHBondContact O-N 2.9Å; V3040-G3046 CarbonylContact C-O 3.56Å; V3040-G3046 WeakPolarHBondContact CA-O 3.41Å |
| 3041 | M | 88.8 | Confident | 91.8 | Very high | 28 Ų | 28 | 48 Ų | 48 | 14% | 0.138 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 46.8 | -174.4 | -55.3 | -153.9 | 176.7 | 0 | 0 | 112.3 | M2926 A3039 V3044 M3045 G3046 T3048 | M2926-M3041 HydrophobicContact CE-CB 3.53Å; M2926-M3041 HydrophobicContact CE-CE 4.01Å; M2926-M3041 HydrophobicContact CE-CG 3.28Å; M2926-M3041 HydrophobicContact CE-SD 3.52Å; M2926-M3041 VanDerWaalsContact CE-SD 3.52Å; M2926-M3041 HydrophobicContact CG-CG 4.43Å; M2926-M3041 HydrophobicContact SD-CB 3.97Å; M2926-M3041 HydrophobicContact SD-CG 3.59Å; M2926-M3041 VanDerWaalsContact SD-CG 3.59Å; M2926-M3041 HydrophobicContact SD-SD 4Å; A3039-M3041 HydrophobicContact CB-CE 3.86Å; A3039-M3041 HydrophobicContact CB-CG 4.19Å; M3041-V3044 PolarHBondContact O-N 3.22Å; M3041-M3045 HydrophobicContact CB-CB 3.91Å; M3041-M3045 HydrophobicContact CB-CE 4.38Å; M3041-M3045 HydrophobicContact CE-CE 4.48Å; M3041-M3045 HydrophobicContact CG-CB 4.3Å; M3041-M3045 HydrophobicContact CG-CE 4.41Å; M3041-M3045 PolarHBondContact O-N 2.86Å; M3041-M3045 HydrophobicContact SD-CB 4.12Å; M3041-M3045 HydrophobicContact SD-CE 3.14Å; M3041-M3045 WeakPolarHBondContact SD-CE 3.29Å; M3041-M3045 HydrophobicContact SD-CG 4.39Å; M3041-M3045 HydrophobicContact SD-SD 3.98Å; M3041-G3046 PolarHBondContact N-O 2.98Å; M3041-T3048 HydrophobicContact CE-CG2 4.15Å |
| 3042 | G | 84.1 | Confident | 91.8 | Very high | 10.5 Ų | 10.5 | 46.5 Ų | 46.5 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -139.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | R2927 V3040 G3046 | R2927-G3042 PolarHBondContact NH2-O 3.4Å; V3040-G3042 VanDerWaalsContact C-N 3.35Å; V3040-G3042 PolarHBondContact O-N 2.9Å; G3042-G3046 VanDerWaalsContact O-CA 3.29Å; G3042-G3046 WeakPolarHBondContact O-CA 3.47Å; G3042-G3046 PolarHBondContact O-N 2.77Å |
| 3043 | Q | 87.8 | Confident | 91.8 | Very high | 149.5 Ų | 149.5 | 51.6 Ų | 51.6 | 70% | 0.699 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -10 | 174.6 | -67.3 | 177.1 | -4.3 | 0 | 0 | 112.4 | G3087 L3088 | Q3043-G3087 CarbonylContact O-C 3.5Å; Q3043-G3087 WeakPolarHBondContact O-CA 3.36Å; Q3043-L3088 PolarHBondContact O-N 2.95Å |
| 3044 | V | 88.8 | Confident | 91.8 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -54.9 | -173.2 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | M3041 G3087 L3088 V3089 L3208 F3211 | M3041-V3044 PolarHBondContact O-N 3.22Å; V3044-G3087 CarbonylContact O-C 3.57Å; V3044-L3088 PolarHBondContact O-N 2.93Å; V3044-V3089 HydrophobicContact CG1-CG2 4.4Å; V3044-V3089 PolarHBondContact O-N 3.05Å; V3044-L3208 HydrophobicContact CG1-CD2 3.82Å; V3044-F3211 HydrophobicContact CB-CD2 4.29Å; V3044-F3211 HydrophobicContact CB-CG 4.28Å; V3044-F3211 HydrophobicContact CG1-CB 4.46Å; V3044-F3211 HydrophobicContact CG2-CB 4.03Å; V3044-F3211 HydrophobicContact CG2-CD2 3.68Å; V3044-F3211 HydrophobicContact CG2-CE2 4.43Å; V3044-F3211 HydrophobicContact CG2-CG 3.93Å |
| 3045 | M | 88.9 | Confident | 91.7 | Very high | 27 Ų | 27 | 48 Ų | 48 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -7.9 | 174.7 | -68.9 | -178.4 | -2.6 | 0 | 0 | 114 | M3041 T3048 A3084 V3089 L3208 | M3041-M3045 HydrophobicContact CB-CB 3.91Å; M3041-M3045 HydrophobicContact CB-CE 4.38Å; M3041-M3045 HydrophobicContact CE-CE 4.48Å; M3041-M3045 HydrophobicContact CG-CB 4.3Å; M3041-M3045 HydrophobicContact CG-CE 4.41Å; M3041-M3045 PolarHBondContact O-N 2.86Å; M3041-M3045 HydrophobicContact SD-CB 4.12Å; M3041-M3045 HydrophobicContact SD-CE 3.14Å; M3041-M3045 WeakPolarHBondContact SD-CE 3.29Å; M3041-M3045 HydrophobicContact SD-CG 4.39Å; M3041-M3045 HydrophobicContact SD-SD 3.98Å; M3045-T3048 WeakPolarHBondContact CB-OG1 3.21Å; M3045-A3084 HydrophobicContact CB-CB 4.32Å; M3045-A3084 HydrophobicContact CE-CB 3.75Å; M3045-V3089 WeakPolarHBondContact CA-O 3.42Å; M3045-V3089 HydrophobicContact CG-CB 4.15Å; M3045-L3208 HydrophobicContact CG-CD2 3.82Å; M3045-L3208 HydrophobicContact SD-CD2 3.67Å |
| 3046 | G | 89.7 | Confident | 91.7 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.9 | -134.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V3040 M3041 G3042 R3085 | V3040-G3046 CarbonylContact C-O 3.56Å; V3040-G3046 WeakPolarHBondContact CA-O 3.41Å; M3041-G3046 PolarHBondContact N-O 2.98Å; G3042-G3046 VanDerWaalsContact O-CA 3.29Å; G3042-G3046 WeakPolarHBondContact O-CA 3.47Å; G3042-G3046 PolarHBondContact O-N 2.77Å; G3046-R3085 CarbonylContact C-O 3.52Å; G3046-R3085 WeakPolarHBondContact CA-O 3.26Å |
| 3047 | Q | 92.1 | Very high | 91.6 | Very high | 111.5 Ų | 111.5 | 50 Ų | 50 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.4 | 174.4 | -174.4 | 176.8 | 1.4 | 0 | 0 | 109.5 | A3084 R3085 | Q3047-A3084 WeakPolarHBondContact O-CA 3.16Å; Q3047-R3085 PolarHBondContact N-O 2.93Å; Q3047-R3085 PolarHBondContact O-N 3.27Å |
| 3048 | T | 93 | Very high | 91.6 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | A3039 M3041 M3045 L3082 E3083 A3084 | A3039-T3048 PolarHBondContact N-O 2.85Å; A3039-T3048 PolarHBondContact O-N 2.84Å; M3041-T3048 HydrophobicContact CE-CG2 4.15Å; M3045-T3048 WeakPolarHBondContact CB-OG1 3.21Å; T3048-L3082 HydrophobicContact CG2-CD1 3.7Å; T3048-E3083 CarbonylContact C-O 3.54Å; T3048-E3083 VanDerWaalsContact CA-O 3.31Å; T3048-E3083 WeakPolarHBondContact CA-O 3.46Å; T3048-A3084 HydrophobicContact CG2-CB 4.38Å |
| 3049 | T | 94.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.8 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | V3037 E3038 R3051 E3083 | V3037-T3049 CarbonylContact O-C 3.45Å; V3037-T3049 WeakPolarHBondContact O-CA 3.36Å; E3038-T3049 HydrophobicContact CG-CG2 4.19Å; T3049-R3051 PolarHBondContact OG1-NH1 2.91Å; T3049-E3083 PolarHBondContact N-O 2.95Å; T3049-E3083 PolarHBondContact O-N 3.36Å |
| 3050 | W | 94.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.9 | 173.7 | -179.2 | 38.7 | 0 | 0 | 0 | 109.4 | V3037 L3052 S3080 S3081 L3082 | V3037-W3050 HydrophobicContact CB-CB 4.29Å; V3037-W3050 HydrophobicContact CB-CE3 4.39Å; V3037-W3050 HydrophobicContact CG2-CE3 4.02Å; V3037-W3050 PolarHBondContact N-O 3.03Å; V3037-W3050 PolarHBondContact O-N 2.83Å; W3050-L3052 HydrophobicContact CZ2-CD1 4.38Å; W3050-S3080 PolarHBondContact NE1-OG 3.11Å; W3050-S3081 CarbonylContact C-O 3.54Å; W3050-S3081 WeakPolarHBondContact CA-O 3.42Å; W3050-L3082 HydrophobicContact CB-CD1 3.87Å; W3050-L3082 HydrophobicContact CG-CD1 4.28Å |
| 3051 | R | 94.7 | Very high | 91.7 | Very high | 82.5 Ų | 82.5 | 55.2 Ų | 55.2 | 31% | 0.311 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.8 | -178.7 | -54.5 | -179.5 | -174.8 | 93.3 | 1.5 | 109.6 | I3035 T3049 S3080 S3081 E3083 | I3035-R3051 WeakPolarHBondContact O-CA 3.37Å; T3049-R3051 PolarHBondContact OG1-NH1 2.91Å; R3051-S3080 CarbonylContact O-C 3.54Å; R3051-S3080 WeakPolarHBondContact O-CA 3.3Å; R3051-S3081 WeakPolarHBondContact CB-OG 3.31Å; R3051-S3081 PolarHBondContact N-O 3.29Å; R3051-S3081 PolarHBondContact O-N 3.05Å; R3051-S3081 PolarHBondContact O-OG 2.95Å; R3051-E3083 IonicContact NH1-OE2 3.3Å |
| 3052 | L | 94.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.9 | -179.7 | -164.3 | 72.9 | 0 | 0 | 0 | 108.7 | R3034 I3035 W3050 T3055 V3077 S3080 | R3034-L3052 WeakPolarHBondContact CA-O 3.34Å; I3035-L3052 HydrophobicContact CB-CB 4.11Å; I3035-L3052 HydrophobicContact CD1-CD2 4.14Å; I3035-L3052 PolarHBondContact N-O 2.92Å; I3035-L3052 PolarHBondContact O-N 2.7Å; W3050-L3052 HydrophobicContact CZ2-CD1 4.38Å; L3052-T3055 HydrophobicContact CD2-CG2 4.13Å; L3052-T3055 WeakPolarHBondContact CD2-OG1 3.33Å; L3052-T3055 WeakPolarHBondContact CG-OG1 3.31Å; L3052-V3077 HydrophobicContact CD1-CB 4.38Å; L3052-V3077 HydrophobicContact CD1-CG1 3.29Å; L3052-V3077 HydrophobicContact CD1-CG2 4.19Å; L3052-V3077 HydrophobicContact CG-CG1 4.14Å; L3052-S3080 WeakPolarHBondContact CD1-OG 3.39Å |
| 3053 | R | 94 | Very high | 91.9 | Very high | 116.5 Ų | 116.5 | 56.8 Ų | 56.8 | 44% | 0.44 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.1 | 178.2 | -65 | 178.5 | 174.5 | 170.6 | -7.3 | 110.6 | E3033 Q3078 Q3079 | E3033-R3053 WeakPolarHBondContact O-CA 3.34Å; R3053-Q3078 PolarHBondContact O-N 2.9Å; R3053-Q3079 HydrophobicContact CB-CB 4.3Å; R3053-Q3079 PolarHBondContact N-O 2.97Å; R3053-Q3079 VanDerWaalsContact NH1-OE1 3.12Å; R3053-Q3079 PolarHBondContact O-N 3.14Å |
| 3054 | K | 92.8 | Very high | 91.7 | Very high | 124 Ų | 124 | 50.5 Ų | 50.5 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 45.1 | 73.5 | 175.9 | -67.4 | 176.6 | 171.2 | -173.6 | 0 | 111.8 | V3032 E3033 Q3078 | V3032-K3054 CarbonylContact O-C 3.52Å; V3032-K3054 WeakPolarHBondContact O-CA 3.36Å; V3032-K3054 PolarHBondContact O-N 3.46Å; E3033-K3054 PolarHBondContact O-N 2.81Å; K3054-Q3078 HydrophobicContact CB-CB 3.85Å; K3054-Q3078 PolarHBondContact O-N 3.09Å |
| 3055 | T | 92.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.2 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | S3031 V3032 L3052 I3057 I3076 V3077 | S3031-T3055 CarbonylContact C-O 3.5Å; S3031-T3055 WeakPolarHBondContact CA-O 3.44Å; V3032-T3055 PolarHBondContact N-O 3.08Å; V3032-T3055 PolarHBondContact O-N 3.01Å; L3052-T3055 HydrophobicContact CD2-CG2 4.13Å; L3052-T3055 WeakPolarHBondContact CD2-OG1 3.33Å; L3052-T3055 WeakPolarHBondContact CG-OG1 3.31Å; T3055-I3057 HydrophobicContact CG2-CD1 4.47Å; T3055-I3057 HydrophobicContact CG2-CG1 4.14Å; T3055-I3076 CarbonylContact C-O 3.5Å; T3055-I3076 VanDerWaalsContact CA-O 3.23Å; T3055-I3076 WeakPolarHBondContact CA-O 3.26Å; T3055-V3077 HydrophobicContact CG2-CG2 3.79Å |
| 3056 | A | 93.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V3030 C3075 I3076 | V3030-A3056 CarbonylContact O-C 3.51Å; V3030-A3056 WeakPolarHBondContact O-CA 3.48Å; A3056-C3075 WeakPolarHBondContact O-CA 3.27Å; A3056-I3076 PolarHBondContact N-O 3.1Å; A3056-I3076 PolarHBondContact O-N 3.17Å |
| 3057 | I | 93.6 | Very high | 89.9 | Confident | 70.5 Ų | 70.5 | 64.4 Ų | 64.4 | 36% | 0.362 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.3 | 175.8 | -56.4 | 173 | 0 | 0 | 0 | 107.1 | A3029 V3030 T3055 S3074 C3075 | A3029-I3057 CarbonylContact C-O 3.54Å; A3029-I3057 WeakPolarHBondContact CA-O 3.43Å; V3030-I3057 HydrophobicContact CB-CB 4.36Å; V3030-I3057 PolarHBondContact N-O 2.96Å; V3030-I3057 PolarHBondContact O-N 3.17Å; T3055-I3057 HydrophobicContact CG2-CD1 4.47Å; T3055-I3057 HydrophobicContact CG2-CG1 4.14Å; I3057-S3074 CarbonylContact C-O 3.56Å; I3057-S3074 VanDerWaalsContact CA-O 3.32Å; I3057-S3074 WeakPolarHBondContact CA-O 3.3Å; I3057-C3075 HydrophobicContact CG1-CB 4.48Å |
| 3058 | Q | 93.4 | Very high | 89.3 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.7 | 177.1 | -56.8 | 177.7 | -8 | 0 | 0 | 109.5 | C3028 I3073 S3074 | C3028-Q3058 CarbonylContact O-C 3.42Å; C3028-Q3058 WeakPolarHBondContact O-CA 3.43Å; Q3058-I3073 CarbonylContact O-C 3.54Å; Q3058-I3073 VanDerWaalsContact O-CA 3.3Å; Q3058-I3073 WeakPolarHBondContact O-CA 3.37Å; Q3058-S3074 PolarHBondContact N-O 2.87Å; Q3058-S3074 PolarHBondContact O-N 3.06Å |
| 3059 | G | 92.2 | Very high | 89 | Confident | 14.5 Ų | 14.5 | 69.8 Ų | 69.8 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I3027 C3028 A3072 | I3027-G3059 CarbonylContact C-O 3.56Å; I3027-G3059 WeakPolarHBondContact CA-O 3.41Å; C3028-G3059 PolarHBondContact N-O 2.94Å; C3028-G3059 PolarHBondContact O-N 2.95Å; G3059-A3072 CarbonylContact C-O 3.56Å; G3059-A3072 VanDerWaalsContact CA-O 3.32Å; G3059-A3072 WeakPolarHBondContact CA-O 3.4Å |
| 3060 | K | 92.7 | Very high | 88.7 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 32% | 0.317 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.7 | 175.3 | -62.8 | -177.5 | -177.2 | 174.7 | 0 | 108.3 | L2533 V3026 I3027 A3071 A3072 | L2533-K3060 HydrophobicContact CD1-CD 3.76Å; L2533-K3060 HydrophobicContact CD1-CG 4.38Å; L2533-K3060 VanDerWaalsContact CD1-NZ 3.27Å; V3026-K3060 CarbonylContact O-C 3.48Å; V3026-K3060 WeakPolarHBondContact O-CA 3.36Å; I3027-K3060 HydrophobicContact CG1-CG 4.46Å; I3027-K3060 HydrophobicContact CG2-CG 4.46Å; K3060-A3071 CarbonylContact O-C 3.48Å; K3060-A3071 VanDerWaalsContact O-CA 3.3Å; K3060-A3071 WeakPolarHBondContact O-CA 3.33Å; K3060-A3072 PolarHBondContact N-O 3.1Å; K3060-A3072 PolarHBondContact O-N 2.82Å |
| 3061 | I | 90.9 | Very high | 88.4 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.1 | 175.8 | -55.1 | 170.7 | 0 | 0 | 0 | 107.6 | V3026 V3063 Q3070 A3071 | V3026-I3061 HydrophobicContact CB-CB 4.24Å; V3026-I3061 PolarHBondContact N-O 3.15Å; V3026-I3061 PolarHBondContact O-N 3.08Å; I3061-V3063 HydrophobicContact CG2-CG2 4.02Å; I3061-Q3070 CarbonylContact C-O 3.55Å; I3061-Q3070 WeakPolarHBondContact CA-O 3.31Å; I3061-A3071 HydrophobicContact CG1-CB 4.34Å |
| 3062 | F | 89.5 | Confident | 88.3 | Confident | 37.5 Ų | 37.5 | 64.7 Ų | 64.7 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.3 | 177.1 | 173.1 | -109.9 | 0 | 0 | 0 | 109 | Q3023 A3024 F3025 T3064 K3069 Q3070 | Q3023-F3062 HydrophobicContact CB-CE2 4.26Å; Q3023-F3062 HydrophobicContact CG-CE2 4.3Å; A3024-F3062 WeakPolarHBondContact O-CA 3.26Å; F3025-F3062 HydrophobicContact CD1-CB 4.24Å; F3025-F3062 AromaticContact CD1-CD2 3.43Å; F3025-F3062 HydrophobicContact CD1-CD2 3.43Å; F3025-F3062 VanDerWaalsContact CD1-CD2 3.43Å; F3025-F3062 HydrophobicContact CD1-CE2 4.13Å; F3025-F3062 HydrophobicContact CD1-CG 4.16Å; F3025-F3062 HydrophobicContact CD2-CB 4.09Å; F3025-F3062 AromaticContact CD2-CD2 3.97Å; F3025-F3062 HydrophobicContact CD2-CD2 3.97Å; F3025-F3062 HydrophobicContact CD2-CE2 4.07Å; F3025-F3062 HydrophobicContact CE1-CB 4.32Å; F3025-F3062 AromaticContact CE1-CD2 3.09Å; F3025-F3062 HydrophobicContact CE1-CD2 3.09Å; F3025-F3062 AromaticContact CE1-CE2 3.43Å; F3025-F3062 HydrophobicContact CE1-CE2 3.43Å; F3025-F3062 VanDerWaalsContact CE1-CE2 3.43Å; F3025-F3062 AromaticContact CE1-CG 3.82Å; F3025-F3062 HydrophobicContact CE1-CG 3.82Å; F3025-F3062 HydrophobicContact CE1-CZ 4.36Å; F3025-F3062 HydrophobicContact CE2-CB 4.44Å; F3025-F3062 AromaticContact CE2-CD2 3.65Å; F3025-F3062 HydrophobicContact CE2-CD2 3.65Å; F3025-F3062 AromaticContact CE2-CE2 3.35Å; F3025-F3062 HydrophobicContact CE2-CE2 3.35Å; F3025-F3062 HydrophobicContact CE2-CZ 4.48Å; F3025-F3062 AromaticContact CG-CD2 3.87Å; F3025-F3062 HydrophobicContact CG-CD2 3.87Å; F3025-F3062 HydrophobicContact CG-CE2 4.43Å; F3025-F3062 AromaticContact CZ-CD2 3.23Å; F3025-F3062 HydrophobicContact CZ-CD2 3.23Å; F3025-F3062 AromaticContact CZ-CE2 3Å; F3025-F3062 HydrophobicContact CZ-CE2 3Å; F3025-F3062 HydrophobicContact CZ-CG 4.28Å; F3025-F3062 AromaticContact CZ-CZ 3.91Å; F3025-F3062 HydrophobicContact CZ-CZ 3.91Å; F3062-T3064 VanDerWaalsContact CE1-OG1 3.29Å; F3062-T3064 WeakPolarHBondContact CE1-OG1 3.32Å; F3062-T3064 WeakPolarHBondContact CZ-OG1 3.49Å; F3062-K3069 WeakPolarHBondContact O-CA 3.34Å; F3062-Q3070 HydrophobicContact CB-CB 4.29Å; F3062-Q3070 HydrophobicContact CD1-CB 4.41Å; F3062-Q3070 PolarHBondContact N-O 2.79Å; F3062-Q3070 PolarHBondContact O-N 2.88Å |
| 3063 | V | 85.8 | Confident | 88.2 | Confident | 36 Ų | 36 | 68.6 Ų | 68.6 | 22% | 0.218 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.8 | 179 | -170 | 0 | 0 | 0 | 0 | 109.3 | W3022 Q3023 A3024 I3061 R3068 K3069 | W3022-V3063 HydrophobicContact CH2-CB 4.06Å; W3022-V3063 HydrophobicContact CH2-CG1 3.46Å; W3022-V3063 VanDerWaalsContact CH2-CG1 3.46Å; W3022-V3063 HydrophobicContact CZ2-CG1 4.43Å; W3022-V3063 HydrophobicContact CZ3-CB 4.01Å; W3022-V3063 HydrophobicContact CZ3-CG1 3.91Å; Q3023-V3063 CarbonylContact C-O 3.46Å; Q3023-V3063 WeakPolarHBondContact CA-O 3.36Å; A3024-V3063 PolarHBondContact N-O 3.29Å; A3024-V3063 PolarHBondContact O-N 2.91Å; I3061-V3063 HydrophobicContact CG2-CG2 4.02Å; V3063-R3068 WeakPolarHBondContact CA-O 3.28Å; V3063-K3069 HydrophobicContact CG1-CG 4.33Å |
| 3064 | T | 83.3 | Confident | 88.2 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.5 | 178.1 | -45.8 | 0 | 0 | 0 | 0 | 110.7 | W3022 Q3023 F3062 R3066 K3067 R3068 | W3022-T3064 CarbonylContact O-C 3.56Å; W3022-T3064 WeakPolarHBondContact O-CA 3.23Å; Q3023-T3064 HydrophobicContact CG-CG2 3.89Å; F3062-T3064 VanDerWaalsContact CE1-OG1 3.29Å; F3062-T3064 WeakPolarHBondContact CE1-OG1 3.32Å; F3062-T3064 WeakPolarHBondContact CZ-OG1 3.49Å; T3064-R3066 HydrophobicContact CG2-CB 4.41Å; T3064-R3066 PolarHBondContact O-N 3.01Å; T3064-R3066 VanDerWaalsContact O-N 3.14Å; T3064-K3067 PolarHBondContact O-N 3.17Å; T3064-R3068 PolarHBondContact N-O 2.92Å |
| 3065 | S | 78.9 | Confident | 88.3 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -32.8 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | G3021 W3022 K3067 | G3021-S3065 WeakPolarHBondContact CA-OG 3.32Å; W3022-S3065 PolarHBondContact N-OG 2.83Å; W3022-S3065 PolarHBondContact O-N 3.15Å; S3065-K3067 PolarHBondContact O-N 2.96Å |
| 3066 | R | 76.9 | Confident | 88.3 | Confident | 134.5 Ų | 134.5 | 61.6 Ų | 61.6 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 25.9 | 174.5 | -59.6 | -174.1 | -178.2 | 169.9 | 2.6 | 113.9 | E2890 E2904 T3064 R3068 P3108 | E2890-R3066 VanDerWaalsContact CD-NH1 3.34Å; E2890-R3066 IonicContact OE1-CZ 2.88Å; E2890-R3066 IonicContact OE1-NH1 2.85Å; E2890-R3066 PolarHBondContact OE1-NH1 2.79Å; E2890-R3066 VanDerWaalsContact OE1-NH1 3.12Å; E2890-R3066 IonicContact OE2-CZ 3.32Å; E2890-R3066 VanDerWaalsContact OE2-CZ 3.24Å; E2890-R3066 IonicContact OE2-NH1 3.28Å; E2890-R3066 PolarHBondContact OE2-NH1 3.37Å; E2890-R3066 IonicContact OE2-NH2 3.58Å; E2890-R3066 PolarHBondContact OE2-NH2 3.13Å; E2904-R3066 IonicContact OE2-NH2 3.34Å; T3064-R3066 HydrophobicContact CG2-CB 4.41Å; T3064-R3066 PolarHBondContact O-N 3.01Å; T3064-R3066 VanDerWaalsContact O-N 3.14Å; R3066-R3068 PolarHBondContact O-N 2.92Å; R3066-P3108 WeakPolarHBondContact O-CD 3.5Å; R3066-P3108 VanDerWaalsContact O-CG 3.25Å; R3066-P3108 WeakPolarHBondContact O-CG 3.3Å |
| 3067 | K | 75.1 | Confident | 88.3 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 71% | 0.709 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 55.5 | 13.5 | 179.8 | -62.2 | 179.5 | -178.9 | 176.7 | 0 | 115.8 | T3064 S3065 K3069 P3108 | T3064-K3067 PolarHBondContact O-N 3.17Å; S3065-K3067 PolarHBondContact O-N 2.96Å; K3067-K3069 PolarHBondContact O-N 2.75Å; K3067-P3108 HydrophobicContact CB-CG 3.69Å |
| 3068 | R | 80.3 | Confident | 88.3 | Confident | 105.5 Ų | 105.5 | 62.3 Ų | 62.3 | 40% | 0.398 | 31% | 0.306 | S | S | . | . | trans | -73.3 | 125.5 | 171.4 | -176.1 | 173 | 175.9 | 170.7 | -2.9 | 108.9 | V3063 T3064 R3066 A3107 | V3063-R3068 WeakPolarHBondContact CA-O 3.28Å; T3064-R3068 PolarHBondContact N-O 2.92Å; R3066-R3068 PolarHBondContact O-N 2.92Å; R3068-A3107 HydrophobicContact CG-CB 4.11Å | ||
| 3069 | K | 85.1 | Confident | 88.3 | Confident | 125.5 Ų | 125.5 | 62.3 Ų | 62.3 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.5 | 179.7 | -63.1 | 179 | -177 | 179.3 | 0 | 109 | F3062 V3063 K3067 S3106 | F3062-K3069 WeakPolarHBondContact O-CA 3.34Å; V3063-K3069 HydrophobicContact CG1-CG 4.33Å; K3067-K3069 PolarHBondContact O-N 2.75Å; K3069-S3106 PolarHBondContact N-O 3.02Å; K3069-S3106 PolarHBondContact O-N 3.08Å; K3069-S3106 VanDerWaalsContact O-O 3.05Å |
| 3070 | Q | 87.6 | Confident | 88.4 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.9 | 173.2 | 174 | 169.8 | 6.9 | 0 | 0 | 108.7 | I2536 I3061 F3062 V3104 I3105 | I2536-Q3070 VanDerWaalsContact CD1-CD 3.48Å; I2536-Q3070 HydrophobicContact CD1-CG 4.5Å; I2536-Q3070 VanDerWaalsContact CG1-NE2 3.27Å; I3061-Q3070 CarbonylContact C-O 3.55Å; I3061-Q3070 WeakPolarHBondContact CA-O 3.31Å; F3062-Q3070 HydrophobicContact CB-CB 4.29Å; F3062-Q3070 HydrophobicContact CD1-CB 4.41Å; F3062-Q3070 PolarHBondContact N-O 2.79Å; F3062-Q3070 PolarHBondContact O-N 2.88Å; Q3070-V3104 CarbonylContact C-O 3.48Å; Q3070-V3104 VanDerWaalsContact CA-O 3.32Å; Q3070-V3104 WeakPolarHBondContact CA-O 3.41Å; Q3070-I3105 HydrophobicContact CG-CG1 4.13Å |
| 3071 | A | 89.8 | Confident | 88.4 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K3060 I3061 T3103 V3104 | K3060-A3071 CarbonylContact O-C 3.48Å; K3060-A3071 VanDerWaalsContact O-CA 3.3Å; K3060-A3071 WeakPolarHBondContact O-CA 3.33Å; I3061-A3071 HydrophobicContact CG1-CB 4.34Å; A3071-T3103 CarbonylContact O-C 3.5Å; A3071-T3103 WeakPolarHBondContact O-CA 3.33Å; A3071-V3104 HydrophobicContact CB-CB 4.41Å; A3071-V3104 PolarHBondContact N-O 3.13Å; A3071-V3104 PolarHBondContact O-N 3.15Å |
| 3072 | A | 92 | Very high | 88.6 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L2533 G3059 K3060 A3102 T3103 | L2533-A3072 HydrophobicContact CD2-CB 4.47Å; G3059-A3072 CarbonylContact C-O 3.56Å; G3059-A3072 VanDerWaalsContact CA-O 3.32Å; G3059-A3072 WeakPolarHBondContact CA-O 3.4Å; K3060-A3072 PolarHBondContact N-O 3.1Å; K3060-A3072 PolarHBondContact O-N 2.82Å; A3072-A3102 CarbonylContact C-O 3.51Å; A3072-A3102 VanDerWaalsContact CA-O 3.31Å; A3072-A3102 WeakPolarHBondContact CA-O 3.41Å; A3072-T3103 HydrophobicContact CB-CG2 3.97Å |
| 3073 | I | 93.3 | Very high | 88.8 | Confident | 99.5 Ų | 99.5 | 59 Ų | 59 | 51% | 0.51 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.5 | 177.5 | -59.9 | 172.3 | 0 | 0 | 0 | 106.9 | Q3058 F3101 A3102 | Q3058-I3073 CarbonylContact O-C 3.54Å; Q3058-I3073 VanDerWaalsContact O-CA 3.3Å; Q3058-I3073 WeakPolarHBondContact O-CA 3.37Å; I3073-F3101 CarbonylContact O-C 3.52Å; I3073-F3101 VanDerWaalsContact O-CA 3.24Å; I3073-F3101 WeakPolarHBondContact O-CA 3.41Å; I3073-A3102 PolarHBondContact N-O 2.96Å; I3073-A3102 PolarHBondContact O-N 3.17Å |
| 3074 | S | 93.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.6 | 170.2 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | I3057 Q3058 G3100 | I3057-S3074 CarbonylContact C-O 3.56Å; I3057-S3074 VanDerWaalsContact CA-O 3.32Å; I3057-S3074 WeakPolarHBondContact CA-O 3.3Å; Q3058-S3074 PolarHBondContact N-O 2.87Å; Q3058-S3074 PolarHBondContact O-N 3.06Å; S3074-G3100 CarbonylContact C-O 3.52Å; S3074-G3100 VanDerWaalsContact CA-O 3.28Å; S3074-G3100 WeakPolarHBondContact CA-O 3.36Å |
| 3075 | C | 93.9 | Very high | 89.5 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 114.4 | -178.1 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | A3056 I3057 D3099 G3100 | A3056-C3075 WeakPolarHBondContact O-CA 3.27Å; I3057-C3075 HydrophobicContact CG1-CB 4.48Å; C3075-D3099 CarbonylContact O-C 3.52Å; C3075-D3099 WeakPolarHBondContact O-CA 3.29Å; C3075-G3100 PolarHBondContact N-O 3.3Å; C3075-G3100 PolarHBondContact O-N 2.78Å |
| 3076 | I | 94 | Very high | 89.8 | Confident | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.6 | 179.5 | -59.4 | 167 | 0 | 0 | 0 | 107.5 | L2531 T3055 A3056 F3098 D3099 | L2531-I3076 HydrophobicContact CD1-CD1 3.34Å; L2531-I3076 HydrophobicContact CD2-CD1 3.54Å; L2531-I3076 HydrophobicContact CG-CD1 4.07Å; T3055-I3076 CarbonylContact C-O 3.5Å; T3055-I3076 VanDerWaalsContact CA-O 3.23Å; T3055-I3076 WeakPolarHBondContact CA-O 3.26Å; A3056-I3076 PolarHBondContact N-O 3.1Å; A3056-I3076 PolarHBondContact O-N 3.17Å; I3076-F3098 CarbonylContact C-O 3.53Å; I3076-F3098 VanDerWaalsContact CA-O 3.27Å; I3076-F3098 WeakPolarHBondContact CA-O 3.35Å; I3076-D3099 HydrophobicContact CG1-CB 4.29Å; I3076-D3099 WeakPolarHBondContact CG1-OD1 3.39Å |
| 3077 | V | 93.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.3 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | L3052 T3055 L3097 F3098 | L3052-V3077 HydrophobicContact CD1-CB 4.38Å; L3052-V3077 HydrophobicContact CD1-CG1 3.29Å; L3052-V3077 HydrophobicContact CD1-CG2 4.19Å; L3052-V3077 HydrophobicContact CG-CG1 4.14Å; T3055-V3077 HydrophobicContact CG2-CG2 3.79Å; V3077-L3097 CarbonylContact O-C 3.51Å; V3077-L3097 WeakPolarHBondContact O-CA 3.44Å; V3077-F3098 HydrophobicContact CB-CB 4.06Å; V3077-F3098 HydrophobicContact CB-CD1 4.42Å; V3077-F3098 HydrophobicContact CG2-CD1 4.19Å; V3077-F3098 PolarHBondContact N-O 3.12Å; V3077-F3098 PolarHBondContact O-N 3.04Å |
| 3078 | Q | 92.9 | Very high | 91 | Very high | 92.5 Ų | 92.5 | 55 Ų | 55 | 43% | 0.432 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -43.4 | 179.3 | -174 | 168.2 | -12.2 | 0 | 0 | 112.5 | R3053 K3054 L3097 | R3053-Q3078 PolarHBondContact O-N 2.9Å; K3054-Q3078 HydrophobicContact CB-CB 3.85Å; K3054-Q3078 PolarHBondContact O-N 3.09Å; Q3078-L3097 HydrophobicContact CG-CD2 4.07Å; Q3078-L3097 PolarHBondContact O-N 2.99Å |
| 3079 | Q | 93 | Very high | 91.6 | Very high | 68.5 Ų | 68.5 | 50.5 Ų | 50.5 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 131.2 | 178.9 | -171 | 178.5 | 18 | 0 | 0 | 110.6 | R3053 L3095 | R3053-Q3079 HydrophobicContact CB-CB 4.3Å; R3053-Q3079 PolarHBondContact N-O 2.97Å; R3053-Q3079 VanDerWaalsContact NH1-OE1 3.12Å; R3053-Q3079 PolarHBondContact O-N 3.14Å; Q3079-L3095 WeakPolarHBondContact CA-O 3.34Å |
| 3080 | S | 94.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.4 | 170.6 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | W3050 R3051 L3052 N3094 L3095 | W3050-S3080 PolarHBondContact NE1-OG 3.11Å; R3051-S3080 CarbonylContact O-C 3.54Å; R3051-S3080 WeakPolarHBondContact O-CA 3.3Å; L3052-S3080 WeakPolarHBondContact CD1-OG 3.39Å; S3080-N3094 CarbonylContact O-C 3.52Å; S3080-N3094 WeakPolarHBondContact O-CA 3.32Å; S3080-L3095 PolarHBondContact N-O 2.97Å; S3080-L3095 PolarHBondContact O-N 2.89Å |
| 3081 | S | 94 | Very high | 92.1 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.1 | 173.6 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | W3050 R3051 I3093 N3094 | W3050-S3081 CarbonylContact C-O 3.54Å; W3050-S3081 WeakPolarHBondContact CA-O 3.42Å; R3051-S3081 WeakPolarHBondContact CB-OG 3.31Å; R3051-S3081 PolarHBondContact N-O 3.29Å; R3051-S3081 PolarHBondContact O-N 3.05Å; R3051-S3081 PolarHBondContact O-OG 2.95Å; S3081-I3093 CarbonylContact C-O 3.46Å; S3081-I3093 WeakPolarHBondContact CA-O 3.28Å; S3081-N3094 WeakPolarHBondContact CB-OD1 3.29Å |
| 3082 | L | 94.5 | Very high | 92.3 | Very high | 61.5 Ų | 61.5 | 44.2 Ų | 44.2 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | 174.4 | 175.7 | 67.7 | 0 | 0 | 0 | 108.1 | T3048 W3050 M3092 I3093 | T3048-L3082 HydrophobicContact CG2-CD1 3.7Å; W3050-L3082 HydrophobicContact CB-CD1 3.87Å; W3050-L3082 HydrophobicContact CG-CD1 4.28Å; L3082-M3092 CarbonylContact O-C 3.51Å; L3082-M3092 VanDerWaalsContact O-CA 3.27Å; L3082-M3092 WeakPolarHBondContact O-CA 3.44Å; L3082-I3093 HydrophobicContact CB-CB 4.37Å; L3082-I3093 HydrophobicContact CD2-CD1 4.41Å; L3082-I3093 PolarHBondContact N-O 2.93Å; L3082-I3093 PolarHBondContact O-N 2.96Å |
| 3083 | E | 93.3 | Very high | 92.4 | Very high | 46.5 Ų | 46.5 | 46.6 Ų | 46.6 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127 | -177.4 | 177.8 | 172.8 | -152.7 | 0 | 0 | 110.1 | T3048 T3049 R3051 R3085 G3091 | T3048-E3083 CarbonylContact C-O 3.54Å; T3048-E3083 VanDerWaalsContact CA-O 3.31Å; T3048-E3083 WeakPolarHBondContact CA-O 3.46Å; T3049-E3083 PolarHBondContact N-O 2.95Å; T3049-E3083 PolarHBondContact O-N 3.36Å; R3051-E3083 IonicContact NH1-OE2 3.3Å; E3083-R3085 HydrophobicContact CG-CG 4.2Å; E3083-R3085 IonicContact OE1-CZ 3.35Å; E3083-R3085 IonicContact OE1-NE 3.29Å; E3083-R3085 PolarHBondContact OE1-NE 2.73Å; E3083-R3085 IonicContact OE1-NH2 3.36Å; E3083-R3085 PolarHBondContact OE1-NH2 3.12Å; E3083-R3085 IonicContact OE2-NH2 3.01Å; E3083-G3091 WeakPolarHBondContact CA-O 3.42Å |
| 3084 | A | 93.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | M3045 Q3047 T3048 S3090 G3091 | M3045-A3084 HydrophobicContact CB-CB 4.32Å; M3045-A3084 HydrophobicContact CE-CB 3.75Å; Q3047-A3084 WeakPolarHBondContact O-CA 3.16Å; T3048-A3084 HydrophobicContact CG2-CB 4.38Å; A3084-S3090 WeakPolarHBondContact O-CA 3.28Å; A3084-S3090 VanDerWaalsContact O-CB 3.25Å; A3084-S3090 WeakPolarHBondContact O-CB 3.09Å; A3084-G3091 PolarHBondContact N-O 2.83Å; A3084-G3091 PolarHBondContact O-N 2.9Å; A3084-G3091 VanDerWaalsContact O-N 3.08Å |
| 3085 | R | 91.5 | Very high | 92.4 | Very high | 158 Ų | 158 | 45.3 Ų | 45.3 | 60% | 0.596 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.6 | -176.4 | -63.7 | -174.8 | 179 | -178.1 | 0 | 111.7 | G3046 Q3047 E3083 G3087 | G3046-R3085 CarbonylContact C-O 3.52Å; G3046-R3085 WeakPolarHBondContact CA-O 3.26Å; Q3047-R3085 PolarHBondContact N-O 2.93Å; Q3047-R3085 PolarHBondContact O-N 3.27Å; E3083-R3085 HydrophobicContact CG-CG 4.2Å; E3083-R3085 IonicContact OE1-CZ 3.35Å; E3083-R3085 IonicContact OE1-NE 3.29Å; E3083-R3085 PolarHBondContact OE1-NE 2.73Å; E3083-R3085 IonicContact OE1-NH2 3.36Å; E3083-R3085 PolarHBondContact OE1-NH2 3.12Å; E3083-R3085 IonicContact OE2-NH2 3.01Å; R3085-G3087 VanDerWaalsContact C-N 3.32Å; R3085-G3087 PolarHBondContact O-N 2.93Å |
| 3086 | G | 84.4 | Confident | 92.4 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 79% | 0.794 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 77 | 10.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 3087 | G | 86.7 | Confident | 92.2 | Very high | 8.5 Ų | 8.5 | 47.6 Ų | 47.6 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -100.4 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q3043 V3044 R3085 V3089 | Q3043-G3087 CarbonylContact O-C 3.5Å; Q3043-G3087 WeakPolarHBondContact O-CA 3.36Å; V3044-G3087 CarbonylContact O-C 3.57Å; R3085-G3087 VanDerWaalsContact C-N 3.32Å; R3085-G3087 PolarHBondContact O-N 2.93Å; G3087-V3089 PolarHBondContact O-N 2.87Å |
| 3088 | L | 91.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -56.9 | -37.5 | 165.2 | -77.6 | 152.4 | 0 | 0 | 0 | 111.9 | Q3043 V3044 W3129 M3130 | Q3043-L3088 PolarHBondContact O-N 2.95Å; V3044-L3088 PolarHBondContact O-N 2.93Å; L3088-W3129 HydrophobicContact CB-CZ3 4.39Å; L3088-W3129 CarbonylContact O-C 3.57Å; L3088-W3129 WeakPolarHBondContact O-CA 3.4Å; L3088-M3130 HydrophobicContact CD2-CE 3.65Å; L3088-M3130 HydrophobicContact CD2-CG 4.01Å; L3088-M3130 PolarHBondContact O-N 2.92Å |
| 3089 | V | 92.6 | Very high | 92.2 | Very high | 11.5 Ų | 11.5 | 47.6 Ų | 47.6 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.3 | 173.9 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | V3044 M3045 G3087 W3129 I3204 | V3044-V3089 HydrophobicContact CG1-CG2 4.4Å; V3044-V3089 PolarHBondContact O-N 3.05Å; M3045-V3089 WeakPolarHBondContact CA-O 3.42Å; M3045-V3089 HydrophobicContact CG-CB 4.15Å; G3087-V3089 PolarHBondContact O-N 2.87Å; V3089-W3129 HydrophobicContact CG2-CE3 4.04Å; V3089-W3129 HydrophobicContact CG2-CZ3 3.85Å; V3089-I3204 HydrophobicContact CG1-CG1 4.47Å; V3089-I3204 HydrophobicContact CG1-CG2 3.99Å; V3089-I3204 HydrophobicContact CG2-CB 4.49Å; V3089-I3204 HydrophobicContact CG2-CG1 4.1Å; V3089-I3204 HydrophobicContact CG2-CG2 4.08Å |
| 3090 | S | 91.5 | Very high | 92.2 | Very high | 8.5 Ų | 8.5 | 44.8 Ų | 44.8 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 168.3 | 173.8 | 54.7 | 0 | 0 | 0 | 0 | 110.1 | A3084 E3128 | A3084-S3090 WeakPolarHBondContact O-CA 3.28Å; A3084-S3090 VanDerWaalsContact O-CB 3.25Å; A3084-S3090 WeakPolarHBondContact O-CB 3.09Å; S3090-E3128 WeakPolarHBondContact CB-OE2 3.1Å; S3090-E3128 PolarHBondContact N-O 3.08Å; S3090-E3128 WeakPolarHBondContact O-CA 3.26Å; S3090-E3128 WeakPolarHBondContact O-CB 3.34Å; S3090-E3128 PolarHBondContact O-N 3Å; S3090-E3128 VanDerWaalsContact O-O 3.09Å; S3090-E3128 WeakPolarHBondContact OG-CB 3.34Å; S3090-E3128 PolarHBondContact OG-OE2 3.38Å |
| 3091 | G | 90.9 | Very high | 92.2 | Very high | 14.5 Ų | 14.5 | 47.4 Ų | 47.4 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | 179.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | E3083 A3084 K3126 | E3083-G3091 WeakPolarHBondContact CA-O 3.42Å; A3084-G3091 PolarHBondContact N-O 2.83Å; A3084-G3091 PolarHBondContact O-N 2.9Å; A3084-G3091 VanDerWaalsContact O-N 3.08Å; G3091-K3126 CarbonylContact C-O 3.52Å; G3091-K3126 WeakPolarHBondContact CA-O 3.44Å |
| 3092 | M | 93.5 | Very high | 92.1 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.3 | 176.7 | 58.6 | 175.9 | -119.6 | 0 | 0 | 110.8 | L3082 N3094 A3125 K3126 V3378 | L3082-M3092 CarbonylContact O-C 3.51Å; L3082-M3092 VanDerWaalsContact O-CA 3.27Å; L3082-M3092 WeakPolarHBondContact O-CA 3.44Å; M3092-N3094 WeakPolarHBondContact CE-ND2 3.42Å; M3092-A3125 CarbonylContact O-C 3.53Å; M3092-A3125 WeakPolarHBondContact O-CA 3.43Å; M3092-K3126 HydrophobicContact CE-CB 4.13Å; M3092-K3126 HydrophobicContact CE-CD 4.26Å; M3092-K3126 HydrophobicContact CG-CB 3.72Å; M3092-K3126 HydrophobicContact CG-CD 4.31Å; M3092-K3126 PolarHBondContact N-O 3.13Å; M3092-K3126 PolarHBondContact O-N 3.08Å; M3092-K3126 HydrophobicContact SD-CB 4.46Å; M3092-K3126 HydrophobicContact SD-CD 4.46Å; M3092-V3378 HydrophobicContact CE-CG2 4.41Å; M3092-V3378 HydrophobicContact SD-CG2 4.2Å |
| 3093 | I | 94.4 | Very high | 91.9 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 35% | 0.354 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 114.6 | 171.6 | -56.8 | 178.5 | 0 | 0 | 0 | 107.2 | S3081 L3082 L3095 E3124 A3125 | S3081-I3093 CarbonylContact C-O 3.46Å; S3081-I3093 WeakPolarHBondContact CA-O 3.28Å; L3082-I3093 HydrophobicContact CB-CB 4.37Å; L3082-I3093 HydrophobicContact CD2-CD1 4.41Å; L3082-I3093 PolarHBondContact N-O 2.93Å; L3082-I3093 PolarHBondContact O-N 2.96Å; I3093-L3095 HydrophobicContact CG2-CD2 4.34Å; I3093-L3095 HydrophobicContact CG2-CG 4.39Å; I3093-E3124 CarbonylContact C-O 3.51Å; I3093-E3124 WeakPolarHBondContact CA-O 3.32Å; I3093-A3125 HydrophobicContact CG1-CB 4.14Å |
| 3094 | N | 94.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129 | 176.6 | -67 | -29.9 | 0 | 0 | 0 | 109.8 | S3080 S3081 M3092 E3124 | S3080-N3094 CarbonylContact O-C 3.52Å; S3080-N3094 WeakPolarHBondContact O-CA 3.32Å; S3081-N3094 WeakPolarHBondContact CB-OD1 3.29Å; M3092-N3094 WeakPolarHBondContact CE-ND2 3.42Å; N3094-E3124 HydrophobicContact CB-CB 4.3Å; N3094-E3124 PolarHBondContact N-O 3.03Å; N3094-E3124 PolarHBondContact O-N 3.28Å |
| 3095 | L | 93 | Very high | 91.4 | Very high | 47.5 Ų | 47.5 | 49.2 Ų | 49.2 | 25% | 0.249 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.5 | 177.9 | -58.4 | 178.1 | 0 | 0 | 0 | 108.2 | Q3079 S3080 I3093 Q3120 I3123 | Q3079-L3095 WeakPolarHBondContact CA-O 3.34Å; S3080-L3095 PolarHBondContact N-O 2.97Å; S3080-L3095 PolarHBondContact O-N 2.89Å; I3093-L3095 HydrophobicContact CG2-CD2 4.34Å; I3093-L3095 HydrophobicContact CG2-CG 4.39Å; L3095-Q3120 VanDerWaalsContact CA-NE2 3.3Å; L3095-Q3120 VanDerWaalsContact CB-NE2 3.32Å; L3095-I3123 HydrophobicContact CD2-CB 4.19Å; L3095-I3123 HydrophobicContact CD2-CG1 3.87Å; L3095-I3123 HydrophobicContact CD2-CG2 3.84Å |
| 3096 | N | 92.3 | Very high | 90.9 | Very high | 45.5 Ų | 45.5 | 44.1 Ų | 44.1 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.5 | 173.8 | -58 | -44.2 | 0 | 0 | 0 | 110.7 | Q3120 N3121 S3122 | N3096-Q3120 PolarHBondContact O-NE2 2.86Å; N3096-Q3120 VanDerWaalsContact O-NE2 3.12Å; N3096-N3121 WeakPolarHBondContact O-CB 3.44Å; N3096-N3121 PolarHBondContact O-N 3.07Å; N3096-S3122 WeakPolarHBondContact CB-OG 3.26Å; N3096-S3122 PolarHBondContact N-O 3.31Å; N3096-S3122 PolarHBondContact ND2-OG 3.11Å; N3096-S3122 PolarHBondContact O-N 3.44Å |
| 3097 | L | 91.4 | Very high | 90.4 | Very high | 90.5 Ų | 90.5 | 41.4 Ų | 41.4 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 71.6 | 179.5 | -61.5 | 168.2 | 0 | 0 | 0 | 112.4 | V3077 Q3078 Q3120 N3121 | V3077-L3097 CarbonylContact O-C 3.51Å; V3077-L3097 WeakPolarHBondContact O-CA 3.44Å; Q3078-L3097 HydrophobicContact CG-CD2 4.07Å; Q3078-L3097 PolarHBondContact O-N 2.99Å; L3097-Q3120 WeakPolarHBondContact O-CA 3.37Å; L3097-N3121 HydrophobicContact CB-CB 3.77Å; L3097-N3121 HydrophobicContact CD1-CB 4.05Å; L3097-N3121 HydrophobicContact CG-CB 4.46Å; L3097-N3121 PolarHBondContact O-N 3.04Å; L3097-N3121 VanDerWaalsContact O-N 3.16Å |
| 3098 | F | 91.9 | Very high | 89.4 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 24% | 0.237 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.8 | 168.1 | 177 | -93.2 | 0 | 0 | 0 | 109.2 | I3076 V3077 L3118 T3119 | I3076-F3098 CarbonylContact C-O 3.53Å; I3076-F3098 VanDerWaalsContact CA-O 3.27Å; I3076-F3098 WeakPolarHBondContact CA-O 3.35Å; V3077-F3098 HydrophobicContact CB-CB 4.06Å; V3077-F3098 HydrophobicContact CB-CD1 4.42Å; V3077-F3098 HydrophobicContact CG2-CD1 4.19Å; V3077-F3098 PolarHBondContact N-O 3.12Å; V3077-F3098 PolarHBondContact O-N 3.04Å; F3098-L3118 HydrophobicContact CD2-CG 4.42Å; F3098-L3118 HydrophobicContact CE2-CD1 3.72Å; F3098-L3118 HydrophobicContact CE2-CD2 4.4Å; F3098-L3118 HydrophobicContact CE2-CG 3.72Å; F3098-L3118 HydrophobicContact CZ-CD1 4.32Å; F3098-L3118 HydrophobicContact CZ-CG 4.34Å; F3098-T3119 CarbonylContact C-O 3.5Å; F3098-T3119 WeakPolarHBondContact CA-O 3.35Å |
| 3099 | D | 93.6 | Very high | 88 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 111.2 | 169.8 | 171.3 | 27.5 | 0 | 0 | 0 | 108.6 | C3075 I3076 L3118 T3119 | C3075-D3099 CarbonylContact O-C 3.52Å; C3075-D3099 WeakPolarHBondContact O-CA 3.29Å; I3076-D3099 HydrophobicContact CG1-CB 4.29Å; I3076-D3099 WeakPolarHBondContact CG1-OD1 3.39Å; D3099-L3118 CarbonylContact O-C 3.56Å; D3099-L3118 WeakPolarHBondContact O-CA 3.16Å; D3099-T3119 WeakPolarHBondContact CB-OG1 3.39Å; D3099-T3119 PolarHBondContact N-O 3.06Å; D3099-T3119 PolarHBondContact O-N 3.26Å; D3099-T3119 PolarHBondContact O-OG1 3.19Å |
| 3100 | G | 93.4 | Very high | 87 | Confident | 11 Ų | 11 | 55 Ų | 55 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S3074 C3075 G3117 | S3074-G3100 CarbonylContact C-O 3.52Å; S3074-G3100 VanDerWaalsContact CA-O 3.28Å; S3074-G3100 WeakPolarHBondContact CA-O 3.36Å; C3075-G3100 PolarHBondContact N-O 3.3Å; C3075-G3100 PolarHBondContact O-N 2.78Å; G3100-G3117 CarbonylContact C-O 3.51Å; G3100-G3117 VanDerWaalsContact CA-O 3.3Å; G3100-G3117 WeakPolarHBondContact CA-O 3.42Å |
| 3101 | F | 93.8 | Very high | 86 | Confident | 67.5 Ų | 67.5 | 56.9 Ų | 56.9 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.1 | 174.7 | 65.7 | -91.9 | 0 | 0 | 0 | 111.5 | I3073 L3116 G3117 | I3073-F3101 CarbonylContact O-C 3.52Å; I3073-F3101 VanDerWaalsContact O-CA 3.24Å; I3073-F3101 WeakPolarHBondContact O-CA 3.41Å; F3101-L3116 CarbonylContact O-C 3.49Å; F3101-L3116 WeakPolarHBondContact O-CA 3.31Å; F3101-G3117 PolarHBondContact N-O 3.39Å; F3101-G3117 PolarHBondContact O-N 2.87Å |
| 3102 | A | 92.9 | Very high | 85.5 | Confident | 34.5 Ų | 34.5 | 57.6 Ų | 57.6 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | A3072 I3073 T3115 L3116 | A3072-A3102 CarbonylContact C-O 3.51Å; A3072-A3102 VanDerWaalsContact CA-O 3.31Å; A3072-A3102 WeakPolarHBondContact CA-O 3.41Å; I3073-A3102 PolarHBondContact N-O 2.96Å; I3073-A3102 PolarHBondContact O-N 3.17Å; A3102-T3115 CarbonylContact C-O 3.59Å; A3102-T3115 VanDerWaalsContact CA-O 3.27Å; A3102-T3115 WeakPolarHBondContact CA-O 3.32Å; A3102-L3116 HydrophobicContact CB-CD1 4.02Å |
| 3103 | T | 90 | Very high | 85 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 17% | 0.172 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.8 | 176.2 | 65 | 0 | 0 | 0 | 0 | 109.4 | A3071 A3072 H3114 T3115 | A3071-T3103 CarbonylContact O-C 3.5Å; A3071-T3103 WeakPolarHBondContact O-CA 3.33Å; A3072-T3103 HydrophobicContact CB-CG2 3.97Å; T3103-H3114 CarbonylContact O-C 3.44Å; T3103-H3114 VanDerWaalsContact O-CA 3.3Å; T3103-H3114 WeakPolarHBondContact O-CA 3.37Å; T3103-T3115 PolarHBondContact N-O 3.25Å; T3103-T3115 PolarHBondContact O-N 3.01Å; T3103-T3115 PolarHBondContact OG1-O 3.2Å; T3103-T3115 PolarHBondContact OG1-OG1 3.26Å |
| 3104 | V | 88.5 | Confident | 84.7 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 38% | 0.376 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 116.9 | -178.3 | 171.4 | 0 | 0 | 0 | 0 | 106.8 | Q3070 A3071 H3114 | Q3070-V3104 CarbonylContact C-O 3.48Å; Q3070-V3104 VanDerWaalsContact CA-O 3.32Å; Q3070-V3104 WeakPolarHBondContact CA-O 3.41Å; A3071-V3104 HydrophobicContact CB-CB 4.41Å; A3071-V3104 PolarHBondContact N-O 3.13Å; A3071-V3104 PolarHBondContact O-N 3.15Å; V3104-H3114 WeakPolarHBondContact CG1-ND1 3.37Å |
| 3105 | I | 86.2 | Confident | 84.5 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.4 | 177.8 | -57.3 | 170.6 | 0 | 0 | 0 | 107.3 | Q3070 P3112 R3113 | Q3070-I3105 HydrophobicContact CG-CG1 4.13Å; I3105-P3112 WeakPolarHBondContact O-CA 3.35Å; I3105-R3113 HydrophobicContact CB-CB 4.39Å; I3105-R3113 PolarHBondContact N-O 3.38Å; I3105-R3113 PolarHBondContact O-N 3.14Å |
| 3106 | S | 81.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 113.2 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | K3069 | K3069-S3106 PolarHBondContact N-O 3.02Å; K3069-S3106 PolarHBondContact O-N 3.08Å; K3069-S3106 VanDerWaalsContact O-O 3.05Å |
| 3107 | A | 75.2 | Confident | 84.5 | Confident | 20.5 Ų | 20.5 | 60.5 Ų | 60.5 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | trans | -121 | 142.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | R3068 W3109 C3110 | R3068-A3107 HydrophobicContact CG-CB 4.11Å; A3107-W3109 PolarHBondContact O-N 2.95Å; A3107-C3110 HydrophobicContact CB-CB 4.05Å; A3107-C3110 PolarHBondContact O-N 2.98Å | ||
| 3108 | P | 64.6 | Low | 84.6 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 141.1 | 172.5 | -18.4 | 31.7 | 0 | 0 | 0 | 109.5 | R3066 K3067 C3110 | R3066-P3108 WeakPolarHBondContact O-CD 3.5Å; R3066-P3108 VanDerWaalsContact O-CG 3.25Å; R3066-P3108 WeakPolarHBondContact O-CG 3.3Å; K3067-P3108 HydrophobicContact CB-CG 3.69Å; P3108-C3110 PolarHBondContact O-N 2.94Å; P3108-C3110 VanDerWaalsContact O-N 3.16Å |
| 3109 | W | 63.2 | Low | 84.7 | Confident | 230.5 Ų | 230.5 | 58.4 Ų | 58.4 | 87% | 0.873 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 4.8 | 178.9 | -38.7 | 105.2 | 0 | 0 | 0 | 115.6 | A3107 A3274 | A3107-W3109 PolarHBondContact O-N 2.95Å; W3109-A3274 HydrophobicContact CH2-CB 4.07Å; W3109-A3274 HydrophobicContact CZ3-CB 3.82Å |
| 3110 | C | 70.4 | Confident | 84.6 | Confident | 83.5 Ų | 83.5 | 56.3 Ų | 56.3 | 56% | 0.564 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -115.6 | 150.2 | 172.4 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | A3107 P3108 | A3107-C3110 HydrophobicContact CB-CB 4.05Å; A3107-C3110 PolarHBondContact O-N 2.98Å; P3108-C3110 PolarHBondContact O-N 2.94Å; P3108-C3110 VanDerWaalsContact O-N 3.16Å |
| 3111 | A | 71.7 | Confident | 84.6 | Confident | 48 Ų | 48 | 60 Ų | 60 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | trans | -61.1 | 131 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W3150 | A3111-W3150 HydrophobicContact CB-CB 3.62Å; A3111-W3150 HydrophobicContact CB-CG 4.24Å | ||
| 3112 | P | 79.7 | Confident | 84.6 | Confident | 29.5 Ų | 29.5 | 57.5 Ų | 57.5 | 19% | 0.192 | 31% | 0.311 | C | S | . | . | trans | -63.5 | 148 | 176.1 | 26.4 | -30.9 | 0 | 0 | 0 | 109.9 | I3105 W3150 N3580 | I3105-P3112 WeakPolarHBondContact O-CA 3.35Å; P3112-W3150 HydrophobicContact CG-CD2 4.1Å; P3112-W3150 HydrophobicContact CG-CG 4.36Å; P3112-W3150 HydrophobicContact CG-CH2 4.43Å; P3112-W3150 HydrophobicContact CG-CZ2 3.79Å; P3112-W3150 PolarHBondContact O-NE1 3.11Å; P3112-N3580 WeakPolarHBondContact CB-OD1 3.23Å; P3112-N3580 WeakPolarHBondContact CG-OD1 3.24Å | ||
| 3113 | R | 83 | Confident | 84.6 | Confident | 146.5 Ų | 146.5 | 57.3 Ų | 57.3 | 55% | 0.553 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 112 | 178.7 | -174 | 176.1 | 173.4 | 175.7 | -4.1 | 110.1 | I3105 T3115 D3148 | I3105-R3113 HydrophobicContact CB-CB 4.39Å; I3105-R3113 PolarHBondContact N-O 3.38Å; I3105-R3113 PolarHBondContact O-N 3.14Å; R3113-T3115 HydrophobicContact CG-CG2 4.27Å; R3113-D3148 WeakPolarHBondContact CA-OD1 3.31Å |
| 3114 | H | 88.2 | Confident | 84.8 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.4 | 176.7 | -53.8 | -65 | 0 | 0 | 0 | 109.4 | T3103 V3104 V3147 D3148 N3580 | T3103-H3114 CarbonylContact O-C 3.44Å; T3103-H3114 VanDerWaalsContact O-CA 3.3Å; T3103-H3114 WeakPolarHBondContact O-CA 3.37Å; V3104-H3114 WeakPolarHBondContact CG1-ND1 3.37Å; H3114-V3147 WeakPolarHBondContact O-CA 3.49Å; H3114-D3148 WeakPolarHBondContact CA-OD1 3.45Å; H3114-D3148 IonicContact CD2-OD2 3.08Å; H3114-D3148 PolarHBondContact CD2-OD2 2.92Å; H3114-D3148 IonicContact CG-OD2 3.87Å; H3114-D3148 VanDerWaalsContact N-CG 3.32Å; H3114-D3148 PolarHBondContact N-OD1 2.78Å; H3114-D3148 PolarHBondContact N-OD2 3.18Å; H3114-D3148 IonicContact NE2-OD2 3.76Å; H3114-D3148 PolarHBondContact O-N 3.06Å; H3114-D3148 VanDerWaalsContact O-N 3.12Å; H3114-N3580 PolarHBondContact NE2-ND2 3.47Å; H3114-N3580 PolarHBondContact NE2-OD1 3.05Å |
| 3115 | T | 89.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.104 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.6 | 172.3 | 80.2 | 0 | 0 | 0 | 0 | 110.5 | A3102 T3103 R3113 L3146 V3147 | A3102-T3115 CarbonylContact C-O 3.59Å; A3102-T3115 VanDerWaalsContact CA-O 3.27Å; A3102-T3115 WeakPolarHBondContact CA-O 3.32Å; T3103-T3115 PolarHBondContact N-O 3.25Å; T3103-T3115 PolarHBondContact O-N 3.01Å; T3103-T3115 PolarHBondContact OG1-O 3.2Å; T3103-T3115 PolarHBondContact OG1-OG1 3.26Å; R3113-T3115 HydrophobicContact CG-CG2 4.27Å; T3115-L3146 CarbonylContact C-O 3.51Å; T3115-L3146 WeakPolarHBondContact CA-O 3.33Å; T3115-V3147 HydrophobicContact CG2-CB 4.47Å; T3115-V3147 HydrophobicContact CG2-CG1 4.1Å; T3115-V3147 HydrophobicContact CG2-CG2 3.94Å |
| 3116 | L | 92.6 | Very high | 85.4 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.8 | 175.6 | 171.2 | 73.1 | 0 | 0 | 0 | 107.6 | F3101 A3102 R3145 L3146 | F3101-L3116 CarbonylContact O-C 3.49Å; F3101-L3116 WeakPolarHBondContact O-CA 3.31Å; A3102-L3116 HydrophobicContact CB-CD1 4.02Å; L3116-R3145 CarbonylContact O-C 3.56Å; L3116-R3145 WeakPolarHBondContact O-CA 3.41Å; L3116-L3146 HydrophobicContact CB-CB 4.17Å; L3116-L3146 HydrophobicContact CD2-CD2 4.16Å; L3116-L3146 PolarHBondContact N-O 3.04Å; L3116-L3146 PolarHBondContact O-N 3.12Å |
| 3117 | G | 92.9 | Very high | 85.9 | Confident | 2.5 Ų | 2.5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G3100 F3101 C3144 | G3100-G3117 CarbonylContact C-O 3.51Å; G3100-G3117 VanDerWaalsContact CA-O 3.3Å; G3100-G3117 WeakPolarHBondContact CA-O 3.42Å; F3101-G3117 PolarHBondContact N-O 3.39Å; F3101-G3117 PolarHBondContact O-N 2.87Å; G3117-C3144 CarbonylContact C-O 3.56Å; G3117-C3144 WeakPolarHBondContact CA-O 3.39Å |
| 3118 | L | 94.1 | Very high | 86.7 | Confident | 54.5 Ų | 54.5 | 52.6 Ų | 52.6 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 128.4 | 175.8 | 179.8 | 163.7 | 0 | 0 | 0 | 107.2 | F3098 D3099 Q3120 F3142 K3143 C3144 | F3098-L3118 HydrophobicContact CD2-CG 4.42Å; F3098-L3118 HydrophobicContact CE2-CD1 3.72Å; F3098-L3118 HydrophobicContact CE2-CD2 4.4Å; F3098-L3118 HydrophobicContact CE2-CG 3.72Å; F3098-L3118 HydrophobicContact CZ-CD1 4.32Å; F3098-L3118 HydrophobicContact CZ-CG 4.34Å; D3099-L3118 CarbonylContact O-C 3.56Å; D3099-L3118 WeakPolarHBondContact O-CA 3.16Å; L3118-Q3120 HydrophobicContact CD2-CB 4.17Å; L3118-F3142 HydrophobicContact CD2-CD1 3.61Å; L3118-F3142 HydrophobicContact CD2-CE1 3.66Å; L3118-K3143 CarbonylContact O-C 3.52Å; L3118-K3143 VanDerWaalsContact O-CA 3.3Å; L3118-K3143 WeakPolarHBondContact O-CA 3.31Å; L3118-C3144 HydrophobicContact CB-CB 4.35Å; L3118-C3144 PolarHBondContact N-O 3.08Å; L3118-C3144 PolarHBondContact O-N 3.2Å |
| 3119 | T | 93.7 | Very high | 87.9 | Confident | 45.5 Ų | 45.5 | 51.1 Ų | 51.1 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.2 | 172.2 | 70.7 | 0 | 0 | 0 | 0 | 108.9 | F3098 D3099 F3142 K3143 | F3098-T3119 CarbonylContact C-O 3.5Å; F3098-T3119 WeakPolarHBondContact CA-O 3.35Å; D3099-T3119 WeakPolarHBondContact CB-OG1 3.39Å; D3099-T3119 PolarHBondContact N-O 3.06Å; D3099-T3119 PolarHBondContact O-N 3.26Å; D3099-T3119 PolarHBondContact O-OG1 3.19Å; T3119-F3142 CarbonylContact C-O 3.49Å; T3119-F3142 WeakPolarHBondContact CA-O 3.26Å; T3119-K3143 HydrophobicContact CG2-CB 4.36Å; T3119-K3143 HydrophobicContact CG2-CG 3.97Å |
| 3120 | Q | 92.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 120.3 | -171 | 177.7 | 66.5 | 23.6 | 0 | 0 | 108.5 | L3095 N3096 L3097 L3118 S3122 I3123 A3141 F3142 | L3095-Q3120 VanDerWaalsContact CA-NE2 3.3Å; L3095-Q3120 VanDerWaalsContact CB-NE2 3.32Å; N3096-Q3120 PolarHBondContact O-NE2 2.86Å; N3096-Q3120 VanDerWaalsContact O-NE2 3.12Å; L3097-Q3120 WeakPolarHBondContact O-CA 3.37Å; L3118-Q3120 HydrophobicContact CD2-CB 4.17Å; Q3120-S3122 PolarHBondContact NE2-O 3.43Å; Q3120-I3123 HydrophobicContact CB-CG1 4.48Å; Q3120-I3123 HydrophobicContact CG-CD1 3.82Å; Q3120-I3123 HydrophobicContact CG-CG1 3.34Å; Q3120-A3141 CarbonylContact O-C 3.45Å; Q3120-A3141 WeakPolarHBondContact O-CA 3.32Å; Q3120-F3142 HydrophobicContact CB-CB 4.2Å; Q3120-F3142 HydrophobicContact CB-CD1 4.32Å; Q3120-F3142 PolarHBondContact N-O 2.79Å; Q3120-F3142 PolarHBondContact O-N 3.09Å |
| 3121 | N | 93 | Very high | 89.8 | Confident | 89 Ų | 89 | 45.2 Ų | 45.2 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -45.6 | -176.1 | -171.7 | 45 | 0 | 0 | 0 | 112.4 | N3096 L3097 T3140 A3141 | N3096-N3121 WeakPolarHBondContact O-CB 3.44Å; N3096-N3121 PolarHBondContact O-N 3.07Å; L3097-N3121 HydrophobicContact CB-CB 3.77Å; L3097-N3121 HydrophobicContact CD1-CB 4.05Å; L3097-N3121 HydrophobicContact CG-CB 4.46Å; L3097-N3121 PolarHBondContact O-N 3.04Å; L3097-N3121 VanDerWaalsContact O-N 3.16Å; N3121-T3140 CarbonylContact O-C 3.55Å; N3121-T3140 WeakPolarHBondContact O-CA 3.41Å; N3121-A3141 PolarHBondContact O-N 2.88Å |
| 3122 | S | 92.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.7 | 172.5 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | N3096 Q3120 V3139 | N3096-S3122 WeakPolarHBondContact CB-OG 3.26Å; N3096-S3122 PolarHBondContact N-O 3.31Å; N3096-S3122 PolarHBondContact ND2-OG 3.11Å; N3096-S3122 PolarHBondContact O-N 3.44Å; Q3120-S3122 PolarHBondContact NE2-O 3.43Å; S3122-V3139 CarbonylContact C-O 3.54Å; S3122-V3139 VanDerWaalsContact CA-O 3.24Å; S3122-V3139 WeakPolarHBondContact CA-O 3.39Å |
| 3123 | I | 94.4 | Very high | 91.1 | Very high | 31.5 Ų | 31.5 | 44.2 Ų | 44.2 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.8 | 172.8 | -55.7 | 178 | 0 | 0 | 0 | 107.1 | L3095 Q3120 F3138 V3139 F3142 | L3095-I3123 HydrophobicContact CD2-CB 4.19Å; L3095-I3123 HydrophobicContact CD2-CG1 3.87Å; L3095-I3123 HydrophobicContact CD2-CG2 3.84Å; Q3120-I3123 HydrophobicContact CB-CG1 4.48Å; Q3120-I3123 HydrophobicContact CG-CD1 3.82Å; Q3120-I3123 HydrophobicContact CG-CG1 3.34Å; I3123-F3138 CarbonylContact O-C 3.55Å; I3123-F3138 VanDerWaalsContact O-CA 3.31Å; I3123-F3138 WeakPolarHBondContact O-CA 3.31Å; I3123-V3139 HydrophobicContact CB-CB 4.16Å; I3123-V3139 HydrophobicContact CB-CG2 4.47Å; I3123-V3139 HydrophobicContact CD1-CB 4.5Å; I3123-V3139 PolarHBondContact N-O 2.88Å; I3123-V3139 PolarHBondContact O-N 3.31Å; I3123-F3142 HydrophobicContact CD1-CB 4.49Å; I3123-F3142 HydrophobicContact CD1-CD1 4.44Å; I3123-F3142 HydrophobicContact CD1-CG 4.49Å |
| 3124 | E | 93.6 | Very high | 91.5 | Very high | 23.5 Ų | 23.5 | 37.2 Ų | 37.2 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.4 | 170.8 | -40 | -172 | 155.8 | 0 | 0 | 107.9 | I3093 N3094 L3137 F3138 K3379 | I3093-E3124 CarbonylContact C-O 3.51Å; I3093-E3124 WeakPolarHBondContact CA-O 3.32Å; N3094-E3124 HydrophobicContact CB-CB 4.3Å; N3094-E3124 PolarHBondContact N-O 3.03Å; N3094-E3124 PolarHBondContact O-N 3.28Å; E3124-L3137 CarbonylContact C-O 3.48Å; E3124-L3137 WeakPolarHBondContact CA-O 3.37Å; E3124-F3138 HydrophobicContact CB-CD2 4.45Å; E3124-F3138 HydrophobicContact CG-CD2 3.79Å; E3124-F3138 HydrophobicContact CG-CE2 3.89Å; E3124-F3138 WeakPolarHBondContact OE1-CE2 3.38Å; E3124-K3379 WeakPolarHBondContact OE1-CE 3.38Å; E3124-K3379 IonicContact OE1-NZ 3.99Å |
| 3125 | A | 93.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M3092 I3093 M3136 L3137 | M3092-A3125 CarbonylContact O-C 3.53Å; M3092-A3125 WeakPolarHBondContact O-CA 3.43Å; I3093-A3125 HydrophobicContact CG1-CB 4.14Å; A3125-M3136 CarbonylContact O-C 3.56Å; A3125-M3136 VanDerWaalsContact O-CA 3.29Å; A3125-M3136 WeakPolarHBondContact O-CA 3.22Å; A3125-L3137 HydrophobicContact CB-CB 4.25Å; A3125-L3137 PolarHBondContact N-O 3.14Å; A3125-L3137 PolarHBondContact O-N 3.4Å |
| 3126 | K | 93.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 116.5 | 173.3 | -175.3 | -168 | -171.3 | -156.8 | 0 | 107.3 | G3091 M3092 E3128 T3133 M3136 Q3374 V3378 | G3091-K3126 CarbonylContact C-O 3.52Å; G3091-K3126 WeakPolarHBondContact CA-O 3.44Å; M3092-K3126 HydrophobicContact CE-CB 4.13Å; M3092-K3126 HydrophobicContact CE-CD 4.26Å; M3092-K3126 HydrophobicContact CG-CB 3.72Å; M3092-K3126 HydrophobicContact CG-CD 4.31Å; M3092-K3126 PolarHBondContact N-O 3.13Å; M3092-K3126 PolarHBondContact O-N 3.08Å; M3092-K3126 HydrophobicContact SD-CB 4.46Å; M3092-K3126 HydrophobicContact SD-CD 4.46Å; K3126-E3128 WeakPolarHBondContact CE-OE1 3.37Å; K3126-E3128 IonicContact NZ-OE1 3.18Å; K3126-E3128 PolarHBondContact NZ-OE1 3.05Å; K3126-T3133 HydrophobicContact CD-CG2 4.35Å; K3126-T3133 VanDerWaalsContact CE-OG1 3.3Å; K3126-T3133 WeakPolarHBondContact CE-OG1 3.49Å; K3126-T3133 HydrophobicContact CG-CG2 3.65Å; K3126-M3136 HydrophobicContact CB-CG 4.43Å; K3126-M3136 HydrophobicContact CG-CG 4.11Å; K3126-Q3374 PolarHBondContact NZ-O 3.23Å; K3126-V3378 HydrophobicContact CB-CG2 3.91Å |
| 3127 | V | 92.7 | Very high | 92 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 16% | 0.158 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.6 | -179.8 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | I3134 F3135 F3201 I3204 | V3127-I3134 HydrophobicContact CB-CG1 4.31Å; V3127-I3134 HydrophobicContact CG1-CD1 4.09Å; V3127-I3134 HydrophobicContact CG1-CG1 4.16Å; V3127-I3134 VanDerWaalsContact O-CG1 3.3Å; V3127-I3134 WeakPolarHBondContact O-CG1 3.36Å; V3127-I3134 PolarHBondContact O-N 2.89Å; V3127-F3135 HydrophobicContact CB-CB 4.27Å; V3127-F3135 HydrophobicContact CG2-CD1 4.28Å; V3127-F3135 PolarHBondContact N-O 3.09Å; V3127-F3135 PolarHBondContact O-N 2.8Å; V3127-F3201 HydrophobicContact CB-CE1 4.42Å; V3127-F3201 HydrophobicContact CB-CZ 4.36Å; V3127-F3201 HydrophobicContact CG1-CE1 4.08Å; V3127-F3201 HydrophobicContact CG1-CZ 4.45Å; V3127-F3201 HydrophobicContact CG2-CE1 4.26Å; V3127-F3201 HydrophobicContact CG2-CZ 4.25Å; V3127-I3204 HydrophobicContact CG1-CD1 3.88Å |
| 3128 | E | 90.9 | Very high | 92.1 | Very high | 35.5 Ų | 35.5 | 34.7 Ų | 34.7 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.3 | -178.1 | -61 | 172 | 173 | 0 | 0 | 110.6 | S3090 K3126 T3132 T3133 | S3090-E3128 WeakPolarHBondContact CB-OE2 3.1Å; S3090-E3128 PolarHBondContact N-O 3.08Å; S3090-E3128 WeakPolarHBondContact O-CA 3.26Å; S3090-E3128 WeakPolarHBondContact O-CB 3.34Å; S3090-E3128 PolarHBondContact O-N 3Å; S3090-E3128 VanDerWaalsContact O-O 3.09Å; S3090-E3128 WeakPolarHBondContact OG-CB 3.34Å; S3090-E3128 PolarHBondContact OG-OE2 3.38Å; K3126-E3128 WeakPolarHBondContact CE-OE1 3.37Å; K3126-E3128 IonicContact NZ-OE1 3.18Å; K3126-E3128 PolarHBondContact NZ-OE1 3.05Å; E3128-T3132 CarbonylContact C-O 3.59Å; E3128-T3132 WeakPolarHBondContact CA-O 3.49Å; E3128-T3133 HydrophobicContact CG-CG2 4.33Å |
| 3129 | W | 91 | Very high | 92.1 | Very high | 18.5 Ų | 18.5 | 32.5 Ų | 32.5 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.4 | 174.9 | 176.4 | -107.4 | 0 | 0 | 0 | 109 | L3088 V3089 S3131 T3132 I3134 D3200 R3203 I3204 K3207 | L3088-W3129 HydrophobicContact CB-CZ3 4.39Å; L3088-W3129 CarbonylContact O-C 3.57Å; L3088-W3129 WeakPolarHBondContact O-CA 3.4Å; V3089-W3129 HydrophobicContact CG2-CE3 4.04Å; V3089-W3129 HydrophobicContact CG2-CZ3 3.85Å; W3129-S3131 PolarHBondContact O-N 2.95Å; W3129-T3132 PolarHBondContact N-O 3.38Å; W3129-T3132 PolarHBondContact O-N 2.91Å; W3129-T3132 PolarHBondContact O-OG1 2.71Å; W3129-I3134 HydrophobicContact CB-CD1 4.23Å; W3129-I3134 HydrophobicContact CB-CG2 3.91Å; W3129-D3200 HydrophobicContact CG-CB 4.42Å; W3129-R3203 HydrophobicContact CH2-CB 4.17Å; W3129-R3203 HydrophobicContact CZ2-CB 4.13Å; W3129-I3204 HydrophobicContact CB-CD1 4.35Å; W3129-I3204 HydrophobicContact CD2-CG1 4.18Å; W3129-I3204 HydrophobicContact CE3-CD1 4.14Å; W3129-I3204 HydrophobicContact CE3-CG1 3.33Å; W3129-I3204 HydrophobicContact CZ3-CG1 3.74Å; W3129-K3207 HydrophobicContact CH2-CG 4.21Å |
| 3130 | M | 88.6 | Confident | 92 | Very high | 109.5 Ų | 109.5 | 31.6 Ų | 31.6 | 54% | 0.539 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 44.6 | -175.9 | -63 | 179 | 170.7 | 0 | 0 | 112.3 | L3088 T3132 | L3088-M3130 HydrophobicContact CD2-CE 3.65Å; L3088-M3130 HydrophobicContact CD2-CG 4.01Å; L3088-M3130 PolarHBondContact O-N 2.92Å; M3130-T3132 PolarHBondContact O-N 3.03Å |
| 3131 | S | 85.5 | Confident | 92.1 | Very high | 79.5 Ų | 79.5 | 33 Ų | 33 | 56% | 0.556 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 14.3 | -176.1 | -49.8 | 0 | 0 | 0 | 0 | 115.7 | W3129 | W3129-S3131 PolarHBondContact O-N 2.95Š|
| 3132 | T | 87.8 | Confident | 92.1 | Very high | 46.5 Ų | 46.5 | 31 Ų | 31 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.9 | 173.5 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | E3128 W3129 M3130 I3134 | E3128-T3132 CarbonylContact C-O 3.59Å; E3128-T3132 WeakPolarHBondContact CA-O 3.49Å; W3129-T3132 PolarHBondContact N-O 3.38Å; W3129-T3132 PolarHBondContact O-N 2.91Å; W3129-T3132 PolarHBondContact O-OG1 2.71Å; M3130-T3132 PolarHBondContact O-N 3.03Å; T3132-I3134 PolarHBondContact O-N 3.11Å |
| 3133 | T | 89.3 | Confident | 92.2 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.8 | 177 | -43.1 | 0 | 0 | 0 | 0 | 110.1 | K3126 E3128 M3136 F3305 | K3126-T3133 HydrophobicContact CD-CG2 4.35Å; K3126-T3133 VanDerWaalsContact CE-OG1 3.3Å; K3126-T3133 WeakPolarHBondContact CE-OG1 3.49Å; K3126-T3133 HydrophobicContact CG-CG2 3.65Å; E3128-T3133 HydrophobicContact CG-CG2 4.33Å; T3133-M3136 HydrophobicContact CG2-CE 3.87Å; T3133-M3136 HydrophobicContact CG2-CG 3.91Å; T3133-M3136 HydrophobicContact CG2-SD 4.31Å; T3133-F3305 HydrophobicContact CG2-CD2 4.31Å; T3133-F3305 HydrophobicContact CG2-CE2 3.91Å; T3133-F3305 WeakPolarHBondContact O-CD2 3.48Å; T3133-F3305 WeakPolarHBondContact O-CE2 3.28Å |
| 3134 | I | 91.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -25.1 | -178.6 | 58.5 | 163.2 | 0 | 0 | 0 | 112.4 | V3127 W3129 T3132 T3197 D3200 I3204 | V3127-I3134 HydrophobicContact CB-CG1 4.31Å; V3127-I3134 HydrophobicContact CG1-CD1 4.09Å; V3127-I3134 HydrophobicContact CG1-CG1 4.16Å; V3127-I3134 VanDerWaalsContact O-CG1 3.3Å; V3127-I3134 WeakPolarHBondContact O-CG1 3.36Å; V3127-I3134 PolarHBondContact O-N 2.89Å; W3129-I3134 HydrophobicContact CB-CD1 4.23Å; W3129-I3134 HydrophobicContact CB-CG2 3.91Å; T3132-I3134 PolarHBondContact O-N 3.11Å; I3134-T3197 WeakPolarHBondContact O-CG2 3.4Å; I3134-T3197 PolarHBondContact O-OG1 3.25Å; I3134-D3200 HydrophobicContact CD1-CB 3.78Å; I3134-D3200 HydrophobicContact CG2-CB 4.23Å; I3134-I3204 HydrophobicContact CD1-CD1 3.47Å; I3134-I3204 VanDerWaalsContact CD1-CD1 3.47Å |
| 3135 | F | 92.5 | Very high | 92.2 | Very high | 33.5 Ų | 33.5 | 39.9 Ų | 39.9 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137.5 | -173.9 | -177.1 | -111.8 | 0 | 0 | 0 | 111.4 | V3127 L3137 A3191 L3192 M3193 T3197 F3201 | V3127-F3135 HydrophobicContact CB-CB 4.27Å; V3127-F3135 HydrophobicContact CG2-CD1 4.28Å; V3127-F3135 PolarHBondContact N-O 3.09Å; V3127-F3135 PolarHBondContact O-N 2.8Å; F3135-L3137 HydrophobicContact CD1-CB 4.47Å; F3135-L3137 HydrophobicContact CE1-CB 3.63Å; F3135-L3137 HydrophobicContact CE1-CD2 4.38Å; F3135-L3137 HydrophobicContact CE1-CG 4.46Å; F3135-L3137 HydrophobicContact CZ-CB 3.92Å; F3135-L3137 HydrophobicContact CZ-CD1 4.32Å; F3135-A3191 HydrophobicContact CE2-CB 4.13Å; F3135-A3191 HydrophobicContact CZ-CB 4.36Å; F3135-L3192 WeakPolarHBondContact CA-O 3.31Å; F3135-L3192 VanDerWaalsContact CD2-O 3.3Å; F3135-L3192 WeakPolarHBondContact CD2-O 3.31Å; F3135-M3193 HydrophobicContact CD2-CG 3.78Å; F3135-M3193 HydrophobicContact CE2-CG 3.79Å; F3135-M3193 HydrophobicContact CE2-SD 4.39Å; F3135-T3197 HydrophobicContact CB-CG2 3.98Å; F3135-T3197 HydrophobicContact CD2-CG2 4.01Å; F3135-T3197 HydrophobicContact CG-CG2 4.35Å; F3135-F3201 HydrophobicContact CB-CE2 3.6Å; F3135-F3201 HydrophobicContact CB-CZ 3.58Å; F3135-F3201 AromaticContact CD1-CE2 3.98Å; F3135-F3201 HydrophobicContact CD1-CE2 3.98Å; F3135-F3201 AromaticContact CD1-CZ 3.53Å; F3135-F3201 HydrophobicContact CD1-CZ 3.53Å; F3135-F3201 HydrophobicContact CD2-CE2 4.01Å; F3135-F3201 HydrophobicContact CD2-CZ 4.4Å; F3135-F3201 HydrophobicContact CE1-CZ 4.25Å; F3135-F3201 AromaticContact CG-CE2 3.6Å; F3135-F3201 HydrophobicContact CG-CE2 3.6Å; F3135-F3201 AromaticContact CG-CZ 3.58Å; F3135-F3201 HydrophobicContact CG-CZ 3.58Å |
| 3136 | M | 94.1 | Very high | 92.1 | Very high | 0.5 Ų | 0.5 | 41.5 Ų | 41.5 | 0% | 0.002 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.4 | 170 | -65.1 | -177.1 | -109.8 | 0 | 0 | 109.5 | A3125 K3126 T3133 A3191 L3192 F3305 W3381 F3382 | A3125-M3136 CarbonylContact O-C 3.56Å; A3125-M3136 VanDerWaalsContact O-CA 3.29Å; A3125-M3136 WeakPolarHBondContact O-CA 3.22Å; K3126-M3136 HydrophobicContact CB-CG 4.43Å; K3126-M3136 HydrophobicContact CG-CG 4.11Å; T3133-M3136 HydrophobicContact CG2-CE 3.87Å; T3133-M3136 HydrophobicContact CG2-CG 3.91Å; T3133-M3136 HydrophobicContact CG2-SD 4.31Å; M3136-A3191 CarbonylContact O-C 3.59Å; M3136-A3191 WeakPolarHBondContact O-CA 3.32Å; M3136-L3192 HydrophobicContact CB-CB 4.21Å; M3136-L3192 HydrophobicContact CB-CD1 4.23Å; M3136-L3192 HydrophobicContact CB-CG 4.32Å; M3136-L3192 HydrophobicContact CE-CD1 4.11Å; M3136-L3192 PolarHBondContact N-O 2.92Å; M3136-L3192 VanDerWaalsContact N-O 3.15Å; M3136-L3192 PolarHBondContact O-N 3.05Å; M3136-L3192 HydrophobicContact SD-CD1 4.28Å; M3136-F3305 HydrophobicContact CE-CD2 3.8Å; M3136-F3305 HydrophobicContact CE-CE1 4.45Å; M3136-F3305 HydrophobicContact CE-CE2 3.61Å; M3136-F3305 HydrophobicContact CE-CG 4.31Å; M3136-F3305 HydrophobicContact CE-CZ 3.97Å; M3136-W3381 HydrophobicContact CE-CB 4.09Å; M3136-W3381 HydrophobicContact CE-CD2 3.64Å; M3136-W3381 HydrophobicContact CE-CE3 4.06Å; M3136-W3381 HydrophobicContact CE-CG 3.65Å; M3136-W3381 HydrophobicContact SD-CB 3.78Å; M3136-W3381 HydrophobicContact SD-CD2 4.33Å; M3136-W3381 HydrophobicContact SD-CG 3.69Å; M3136-F3382 HydrophobicContact CB-CE2 4.26Å; M3136-F3382 HydrophobicContact CB-CZ 4.13Å |
| 3137 | L | 94.6 | Very high | 92 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.2 | -178.9 | 178 | 70.1 | 0 | 0 | 0 | 109.9 | E3124 A3125 F3135 V3139 E3190 A3191 | E3124-L3137 CarbonylContact C-O 3.48Å; E3124-L3137 WeakPolarHBondContact CA-O 3.37Å; A3125-L3137 HydrophobicContact CB-CB 4.25Å; A3125-L3137 PolarHBondContact N-O 3.14Å; A3125-L3137 PolarHBondContact O-N 3.4Å; F3135-L3137 HydrophobicContact CD1-CB 4.47Å; F3135-L3137 HydrophobicContact CE1-CB 3.63Å; F3135-L3137 HydrophobicContact CE1-CD2 4.38Å; F3135-L3137 HydrophobicContact CE1-CG 4.46Å; F3135-L3137 HydrophobicContact CZ-CB 3.92Å; F3135-L3137 HydrophobicContact CZ-CD1 4.32Å; L3137-V3139 HydrophobicContact CD1-CG2 3.79Å; L3137-V3139 HydrophobicContact CD2-CG2 4.16Å; L3137-V3139 HydrophobicContact CG-CG2 3.85Å; L3137-E3190 WeakPolarHBondContact CA-O 3.17Å; L3137-A3191 HydrophobicContact CD1-CB 4.11Å |
| 3138 | F | 94.6 | Very high | 91.8 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 122.6 | 171 | -176.5 | -107.7 | 0 | 0 | 0 | 109.4 | I3123 E3124 T3140 E3190 F3382 | I3123-F3138 CarbonylContact O-C 3.55Å; I3123-F3138 VanDerWaalsContact O-CA 3.31Å; I3123-F3138 WeakPolarHBondContact O-CA 3.31Å; E3124-F3138 HydrophobicContact CB-CD2 4.45Å; E3124-F3138 HydrophobicContact CG-CD2 3.79Å; E3124-F3138 HydrophobicContact CG-CE2 3.89Å; E3124-F3138 WeakPolarHBondContact OE1-CE2 3.38Å; F3138-T3140 HydrophobicContact CD1-CG2 4.31Å; F3138-T3140 HydrophobicContact CE1-CG2 3.45Å; F3138-T3140 VanDerWaalsContact CE1-CG2 3.45Å; F3138-T3140 HydrophobicContact CE2-CG2 4.48Å; F3138-T3140 HydrophobicContact CZ-CG2 3.56Å; F3138-E3190 PolarHBondContact N-O 3.35Å; F3138-E3190 PolarHBondContact O-N 3.03Å; F3138-F3382 HydrophobicContact CB-CD2 3.62Å; F3138-F3382 HydrophobicContact CB-CE1 4.36Å; F3138-F3382 HydrophobicContact CB-CE2 3.31Å; F3138-F3382 HydrophobicContact CB-CG 4.28Å; F3138-F3382 HydrophobicContact CB-CZ 3.73Å; F3138-F3382 HydrophobicContact CG-CD2 4.37Å; F3138-F3382 HydrophobicContact CG-CE2 4.45Å |
| 3139 | V | 93.8 | Very high | 91.5 | Very high | 7.5 Ų | 7.5 | 41.5 Ų | 41.5 | 5% | 0.045 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.8 | 178.7 | -167.5 | 0 | 0 | 0 | 0 | 109.6 | S3122 I3123 L3137 F3142 W3186 T3188 L3189 | S3122-V3139 CarbonylContact C-O 3.54Å; S3122-V3139 VanDerWaalsContact CA-O 3.24Å; S3122-V3139 WeakPolarHBondContact CA-O 3.39Å; I3123-V3139 HydrophobicContact CB-CB 4.16Å; I3123-V3139 HydrophobicContact CB-CG2 4.47Å; I3123-V3139 HydrophobicContact CD1-CB 4.5Å; I3123-V3139 PolarHBondContact N-O 2.88Å; I3123-V3139 PolarHBondContact O-N 3.31Å; L3137-V3139 HydrophobicContact CD1-CG2 3.79Å; L3137-V3139 HydrophobicContact CD2-CG2 4.16Å; L3137-V3139 HydrophobicContact CG-CG2 3.85Å; V3139-F3142 HydrophobicContact CG1-CB 3.93Å; V3139-F3142 HydrophobicContact CG1-CD2 4.2Å; V3139-F3142 HydrophobicContact CG1-CG 4.46Å; V3139-W3186 HydrophobicContact CG1-CB 4.16Å; V3139-T3188 CarbonylContact C-O 3.56Å; V3139-T3188 VanDerWaalsContact CA-O 3.26Å; V3139-T3188 WeakPolarHBondContact CA-O 3.41Å; V3139-L3189 HydrophobicContact CG2-CG 4.23Å |
| 3140 | T | 93.3 | Very high | 90.9 | Very high | 26.5 Ų | 26.5 | 43.3 Ų | 43.3 | 16% | 0.163 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.3 | 174.3 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | N3121 F3138 F3142 D3187 T3188 | N3121-T3140 CarbonylContact O-C 3.55Å; N3121-T3140 WeakPolarHBondContact O-CA 3.41Å; F3138-T3140 HydrophobicContact CD1-CG2 4.31Å; F3138-T3140 HydrophobicContact CE1-CG2 3.45Å; F3138-T3140 VanDerWaalsContact CE1-CG2 3.45Å; F3138-T3140 HydrophobicContact CE2-CG2 4.48Å; F3138-T3140 HydrophobicContact CZ-CG2 3.56Å; T3140-F3142 VanDerWaalsContact C-N 3.29Å; T3140-F3142 PolarHBondContact O-N 2.87Å; T3140-F3142 VanDerWaalsContact O-N 3.16Å; T3140-D3187 PolarHBondContact O-N 2.92Å; T3140-T3188 WeakPolarHBondContact CG2-OG1 3.44Å; T3140-T3188 PolarHBondContact N-O 3.13Å; T3140-T3188 WeakPolarHBondContact OG1-CB 3.33Å; T3140-T3188 PolarHBondContact OG1-N 2.87Å; T3140-T3188 PolarHBondContact OG1-OG1 2.83Å |
| 3141 | A | 92.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.7 | 44 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | Q3120 N3121 K3143 D3187 | Q3120-A3141 CarbonylContact O-C 3.45Å; Q3120-A3141 WeakPolarHBondContact O-CA 3.32Å; N3121-A3141 PolarHBondContact O-N 2.88Å; A3141-K3143 PolarHBondContact O-N 2.81Å; A3141-D3187 HydrophobicContact CB-CB 3.86Å |
| 3142 | F | 93.9 | Very high | 89.1 | Confident | 47.5 Ų | 47.5 | 43.6 Ų | 43.6 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125.6 | 179 | 179.8 | -99.7 | 0 | 0 | 0 | 110.6 | L3118 T3119 Q3120 I3123 V3139 T3140 C3144 V3184 E3185 W3186 | L3118-F3142 HydrophobicContact CD2-CD1 3.61Å; L3118-F3142 HydrophobicContact CD2-CE1 3.66Å; T3119-F3142 CarbonylContact C-O 3.49Å; T3119-F3142 WeakPolarHBondContact CA-O 3.26Å; Q3120-F3142 HydrophobicContact CB-CB 4.2Å; Q3120-F3142 HydrophobicContact CB-CD1 4.32Å; Q3120-F3142 PolarHBondContact N-O 2.79Å; Q3120-F3142 PolarHBondContact O-N 3.09Å; I3123-F3142 HydrophobicContact CD1-CB 4.49Å; I3123-F3142 HydrophobicContact CD1-CD1 4.44Å; I3123-F3142 HydrophobicContact CD1-CG 4.49Å; V3139-F3142 HydrophobicContact CG1-CB 3.93Å; V3139-F3142 HydrophobicContact CG1-CD2 4.2Å; V3139-F3142 HydrophobicContact CG1-CG 4.46Å; T3140-F3142 VanDerWaalsContact C-N 3.29Å; T3140-F3142 PolarHBondContact O-N 2.87Å; T3140-F3142 VanDerWaalsContact O-N 3.16Å; F3142-C3144 HydrophobicContact CE1-CB 4.06Å; F3142-C3144 HydrophobicContact CZ-CB 4.19Å; F3142-V3184 HydrophobicContact CD2-CG1 4.44Å; F3142-V3184 HydrophobicContact CE2-CG1 3.58Å; F3142-V3184 HydrophobicContact CZ-CG1 4.03Å; F3142-E3185 CarbonylContact C-O 3.51Å; F3142-E3185 WeakPolarHBondContact CA-O 3.41Å; F3142-W3186 HydrophobicContact CD2-CB 4.47Å |
| 3143 | K | 93.9 | Very high | 87.7 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.3 | 176.9 | -60.3 | 177.7 | -177 | 166 | 0 | 109.1 | L3118 T3119 A3141 V3184 E3185 | L3118-K3143 CarbonylContact O-C 3.52Å; L3118-K3143 VanDerWaalsContact O-CA 3.3Å; L3118-K3143 WeakPolarHBondContact O-CA 3.31Å; T3119-K3143 HydrophobicContact CG2-CB 4.36Å; T3119-K3143 HydrophobicContact CG2-CG 3.97Å; A3141-K3143 PolarHBondContact O-N 2.81Å; K3143-V3184 CarbonylContact O-C 3.55Å; K3143-V3184 VanDerWaalsContact O-CA 3.29Å; K3143-V3184 WeakPolarHBondContact O-CA 3.43Å; K3143-E3185 HydrophobicContact CB-CB 4.35Å; K3143-E3185 PolarHBondContact N-O 3.17Å; K3143-E3185 PolarHBondContact O-N 2.9Å |
| 3144 | C | 94.1 | Very high | 85.8 | Confident | 28.5 Ų | 28.5 | 49.1 Ų | 49.1 | 19% | 0.193 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109 | G3117 L3118 F3142 V3183 | G3117-C3144 CarbonylContact C-O 3.56Å; G3117-C3144 WeakPolarHBondContact CA-O 3.39Å; L3118-C3144 HydrophobicContact CB-CB 4.35Å; L3118-C3144 PolarHBondContact N-O 3.08Å; L3118-C3144 PolarHBondContact O-N 3.2Å; F3142-C3144 HydrophobicContact CE1-CB 4.06Å; F3142-C3144 HydrophobicContact CZ-CB 4.19Å; C3144-V3183 CarbonylContact C-O 3.58Å; C3144-V3183 VanDerWaalsContact CA-O 3.3Å; C3144-V3183 WeakPolarHBondContact CA-O 3.2Å |
| 3145 | R | 93.7 | Very high | 83.3 | Confident | 124.5 Ų | 124.5 | 55.2 Ų | 55.2 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.2 | 176.7 | -161.6 | -177.5 | 81.9 | 133.2 | 0.7 | 110.4 | L3116 V3147 Q3182 V3183 | L3116-R3145 CarbonylContact O-C 3.56Å; L3116-R3145 WeakPolarHBondContact O-CA 3.41Å; R3145-V3147 HydrophobicContact CG-CG2 4.11Å; R3145-Q3182 CarbonylContact O-C 3.52Å; R3145-Q3182 WeakPolarHBondContact O-CA 3.3Å; R3145-V3183 PolarHBondContact N-O 2.73Å; R3145-V3183 PolarHBondContact O-N 2.88Å |
| 3146 | L | 93.1 | Very high | 80.7 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.8 | 174.7 | -172.4 | 71.8 | 0 | 0 | 0 | 108.8 | T3115 L3116 L3180 K3181 Q3182 | T3115-L3146 CarbonylContact C-O 3.51Å; T3115-L3146 WeakPolarHBondContact CA-O 3.33Å; L3116-L3146 HydrophobicContact CB-CB 4.17Å; L3116-L3146 HydrophobicContact CD2-CD2 4.16Å; L3116-L3146 PolarHBondContact N-O 3.04Å; L3116-L3146 PolarHBondContact O-N 3.12Å; L3146-L3180 HydrophobicContact CD1-CD1 3.6Å; L3146-L3180 HydrophobicContact CD1-CD2 4.03Å; L3146-L3180 HydrophobicContact CD1-CG 3.7Å; L3146-L3180 HydrophobicContact CD2-CD1 4.3Å; L3146-L3180 HydrophobicContact CG-CD1 3.86Å; L3146-K3181 CarbonylContact C-O 3.54Å; L3146-K3181 WeakPolarHBondContact CA-O 3.34Å; L3146-Q3182 HydrophobicContact CD1-CB 3.84Å; L3146-Q3182 HydrophobicContact CD1-CG 4.16Å |
| 3147 | V | 91.2 | Very high | 77.9 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130.6 | -179 | 175.4 | 0 | 0 | 0 | 0 | 108.2 | H3114 T3115 R3145 Q3149 K3181 | H3114-V3147 WeakPolarHBondContact O-CA 3.49Å; T3115-V3147 HydrophobicContact CG2-CB 4.47Å; T3115-V3147 HydrophobicContact CG2-CG1 4.1Å; T3115-V3147 HydrophobicContact CG2-CG2 3.94Å; R3145-V3147 HydrophobicContact CG-CG2 4.11Å; V3147-Q3149 HydrophobicContact CG1-CG 4.36Å; V3147-K3181 PolarHBondContact N-O 2.79Å; V3147-K3181 WeakPolarHBondContact O-CA 3.37Å; V3147-K3181 WeakPolarHBondContact O-CB 3.48Å; V3147-K3181 PolarHBondContact O-N 3.16Å |
| 3148 | D | 87.9 | Confident | 75.1 | Confident | 13.5 Ų | 13.5 | 67.1 Ų | 67.1 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 145.7 | 167.5 | 72.1 | -21.9 | 0 | 0 | 0 | 110.8 | R3113 H3114 W3150 L3576 | R3113-D3148 WeakPolarHBondContact CA-OD1 3.31Å; H3114-D3148 WeakPolarHBondContact CA-OD1 3.45Å; H3114-D3148 IonicContact CD2-OD2 3.08Å; H3114-D3148 PolarHBondContact CD2-OD2 2.92Å; H3114-D3148 IonicContact CG-OD2 3.87Å; H3114-D3148 VanDerWaalsContact N-CG 3.32Å; H3114-D3148 PolarHBondContact N-OD1 2.78Å; H3114-D3148 PolarHBondContact N-OD2 3.18Å; H3114-D3148 IonicContact NE2-OD2 3.76Å; H3114-D3148 PolarHBondContact O-N 3.06Å; H3114-D3148 VanDerWaalsContact O-N 3.12Å; D3148-W3150 PolarHBondContact OD2-NE1 3.1Å; D3148-L3576 HydrophobicContact CB-CD1 3.51Å |
| 3149 | Q | 84.3 | Confident | 72.2 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 114.7 | 174.6 | -122.4 | -171.2 | -2.9 | 0 | 0 | 109.6 | V3147 R3151 V3178 L3179 K3181 | V3147-Q3149 HydrophobicContact CG1-CG 4.36Å; Q3149-R3151 HydrophobicContact CG-CG 4.28Å; Q3149-V3178 WeakPolarHBondContact O-CA 3.27Å; Q3149-L3179 PolarHBondContact N-O 3.09Å; Q3149-L3179 PolarHBondContact O-N 2.81Å; Q3149-K3181 VanDerWaalsContact CD-CD 3.42Å; Q3149-K3181 HydrophobicContact CG-CD 3.99Å; Q3149-K3181 HydrophobicContact CG-CG 4.26Å; Q3149-K3181 VanDerWaalsContact NE2-NZ 3.19Å |
| 3150 | W | 79.3 | Confident | 69.2 | Low | 56 Ų | 56 | 76.5 Ų | 76.5 | 21% | 0.212 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.3 | 173.7 | -60.4 | 76.9 | 0 | 0 | 0 | 108 | A3111 P3112 D3148 F3176 V3178 F3264 L3576 L3577 | A3111-W3150 HydrophobicContact CB-CB 3.62Å; A3111-W3150 HydrophobicContact CB-CG 4.24Å; P3112-W3150 HydrophobicContact CG-CD2 4.1Å; P3112-W3150 HydrophobicContact CG-CG 4.36Å; P3112-W3150 HydrophobicContact CG-CH2 4.43Å; P3112-W3150 HydrophobicContact CG-CZ2 3.79Å; P3112-W3150 PolarHBondContact O-NE1 3.11Å; D3148-W3150 PolarHBondContact OD2-NE1 3.1Å; W3150-F3176 HydrophobicContact CE3-CE1 4.31Å; W3150-F3176 AromaticContact CE3-CZ 3.96Å; W3150-F3176 HydrophobicContact CE3-CZ 4Å; W3150-F3176 HydrophobicContact CZ3-CZ 4.19Å; W3150-V3178 HydrophobicContact CD2-CG1 4.12Å; W3150-V3178 HydrophobicContact CD2-CG2 4.01Å; W3150-V3178 HydrophobicContact CE3-CG1 4.37Å; W3150-V3178 HydrophobicContact CE3-CG2 3.48Å; W3150-V3178 VanDerWaalsContact CE3-CG2 3.48Å; W3150-V3178 HydrophobicContact CH2-CG1 4.32Å; W3150-V3178 HydrophobicContact CH2-CG2 4.19Å; W3150-V3178 HydrophobicContact CZ2-CG1 4.17Å; W3150-V3178 HydrophobicContact CZ3-CG1 4.44Å; W3150-V3178 HydrophobicContact CZ3-CG2 3.59Å; W3150-F3264 HydrophobicContact CH2-CE2 4.28Å; W3150-F3264 AromaticContact CZ3-CE2 3.82Å; W3150-F3264 HydrophobicContact CZ3-CE2 3.82Å; W3150-F3264 HydrophobicContact CZ3-CZ 4.37Å; W3150-L3576 HydrophobicContact CZ2-CD2 3.8Å; W3150-L3577 HydrophobicContact CH2-CD2 4Å |
| 3151 | R | 73.2 | Confident | 66.2 | Low | 118.5 Ų | 118.5 | 79 Ų | 79 | 45% | 0.447 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.3 | 174.5 | -65.9 | 178.5 | 179.9 | 163.6 | -12.8 | 108.6 | Q3149 F3176 S3177 | Q3149-R3151 HydrophobicContact CG-CG 4.28Å; R3151-F3176 WeakPolarHBondContact O-CA 3.42Å; R3151-S3177 PolarHBondContact N-O 3.06Å; R3151-S3177 PolarHBondContact O-N 3.32Å |
| 3152 | I | 63.3 | Low | 63.2 | Low | 77.5 Ų | 77.5 | 86.3 Ų | 86.3 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 113.1 | 173.7 | -50.1 | -179 | 0 | 0 | 0 | 105.5 | F3176 F3277 | I3152-F3176 HydrophobicContact CB-CD2 4.4Å; I3152-F3176 HydrophobicContact CD1-CD2 4.38Å; I3152-F3176 HydrophobicContact CD1-CE2 3.84Å; I3152-F3176 HydrophobicContact CG1-CD2 3.76Å; I3152-F3176 HydrophobicContact CG1-CE2 3.58Å; I3152-F3176 HydrophobicContact CG1-CZ 4.43Å; I3152-F3176 HydrophobicContact CG2-CD2 4.34Å; I3152-F3277 HydrophobicContact CD1-CZ 4.14Å; I3152-F3277 HydrophobicContact CG2-CD2 4.39Å; I3152-F3277 HydrophobicContact CG2-CE2 4.02Å; I3152-F3277 HydrophobicContact CG2-CZ 4.21Å |
| 3153 | I | 58 | Low | 60.2 | Low | 78.5 Ų | 78.5 | 93.1 Ų | 93.1 | 40% | 0.403 | 53% | 0.529 | S | S | . | . | trans | -100.6 | 104.7 | 175.2 | -53.7 | 175.7 | 0 | 0 | 0 | 106.8 | N3155 D3173 D3174 Q3175 | I3153-N3155 PolarHBondContact O-N 2.79Å; I3153-D3173 HydrophobicContact CD1-CB 4.45Å; I3153-D3174 WeakPolarHBondContact CD1-O 3.36Å; I3153-Q3175 PolarHBondContact N-O 3.08Å | ||
| 3154 | S | 48.8 | Very low | 57.2 | Low | 94 Ų | 94 | 92.8 Ų | 92.8 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | trans | -84.7 | 102 | 170.7 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | T3156 | S3154-T3156 VanDerWaalsContact C-N 3.27Å; S3154-T3156 PolarHBondContact O-N 3.33Å | ||
| 3155 | N | 39.4 | Very low | 54.1 | Low | 128.5 Ų | 128.5 | 98 Ų | 98 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -73.7 | 83 | 170.7 | -90 | 4.4 | 0 | 0 | 0 | 110.1 | I3153 | I3153-N3155 PolarHBondContact O-N 2.79Š| ||
| 3156 | T | 36.6 | Very low | 51.1 | Low | 128.5 Ų | 128.5 | 100.7 Ų | 100.7 | 79% | 0.788 | 59% | 0.594 | S | S | * | * | trans | -126.7 | 65.3 | 161.7 | 42.5 | 0 | 0 | 0 | 0 | 108.4 | S3154 | S3154-T3156 VanDerWaalsContact C-N 3.27Å; S3154-T3156 PolarHBondContact O-N 3.33Å | ||
| 3157 | A | 35.7 | Very low | 47.8 | Very low | 88.5 Ų | 88.5 | 107.8 Ų | 107.8 | 73% | 0.731 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -150.4 | 93.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3158 | S | 36.9 | Very low | 44.8 | Very low | 105.5 Ų | 105.5 | 110.6 Ų | 110.6 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | trans | 35.6 | 111.6 | 146.6 | 54.7 | 0 | 0 | 0 | 0 | 119.3 | T3160 | S3158-T3160 PolarHBondContact O-N 2.82Å; S3158-T3160 VanDerWaalsContact O-N 3.15Å | ||
| 3159 | A | 32 | Very low | 41.8 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | trans | -52.4 | 110.5 | 151 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3160 | T | 31.2 | Very low | 39.3 | Very low | 138.5 Ų | 138.5 | 121.8 Ų | 121.8 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | trans | -179.4 | 117.8 | 152.4 | 32.2 | 0 | 0 | 0 | 0 | 108.3 | S3158 | S3158-T3160 PolarHBondContact O-N 2.82Å; S3158-T3160 VanDerWaalsContact O-N 3.15Å | ||
| 3161 | G | 31.3 | Very low | 37.2 | Very low | 80.5 Ų | 80.5 | 124.8 Ų | 124.8 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | 140.7 | 72.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q3163 | G3161-Q3163 PolarHBondContact O-N 2.81Š| ||
| 3162 | E | 29.4 | Very low | 35.5 | Very low | 188.5 Ų | 188.5 | 123.6 Ų | 123.6 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -60.6 | 140.3 | 161.4 | -65 | 170.7 | 143.9 | 0 | 0 | 110.5 | ||||
| 3163 | Q | 31.5 | Very low | 34.6 | Very low | 190.5 Ų | 190.5 | 126.1 Ų | 126.1 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | 142.7 | 97.8 | 154.6 | -79 | 176.4 | 32.2 | 0 | 0 | 113.5 | G3161 | G3161-Q3163 PolarHBondContact O-N 2.81Š| ||
| 3164 | A | 30.9 | Very low | 34.3 | Very low | 95.5 Ų | 95.5 | 123.5 Ų | 123.5 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | trans | -105.3 | 118.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | E3166 | A3164-E3166 PolarHBondContact O-N 3.41Š| ||
| 3165 | T | 28.3 | Very low | 34.7 | Very low | 136.5 Ų | 136.5 | 122.9 Ų | 122.9 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | -129 | 133.1 | 99.8 | -24.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 3166 | E | 30.6 | Very low | 35.9 | Very low | 182 Ų | 182 | 117.4 Ų | 117.4 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | trans | 153.8 | 102.7 | 160.3 | -85.7 | 179.5 | -167.3 | 0 | 0 | 115.2 | A3164 | A3164-E3166 PolarHBondContact O-N 3.41Š| ||
| 3167 | M | 23.9 | Very low | 37.8 | Very low | 191 Ų | 191 | 111.7 Ų | 111.7 | 94% | 0.941 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 63.2 | 95.9 | 145.9 | -67 | -77.2 | -87.8 | 0 | 0 | 119.2 | ||
| 3168 | G | 27.3 | Very low | 39.9 | Very low | 72.5 Ų | 72.5 | 107.9 Ų | 107.9 | 75% | 0.747 | 64% | 0.644 | S | S | * | * | trans | 147.9 | 53.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | E3170 | G3168-E3170 PolarHBondContact O-N 3.31Å; G3168-E3170 VanDerWaalsContact O-N 3.12Å | ||
| 3169 | S | 26.6 | Very low | 42.2 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | trans | -15.3 | 80.4 | 172.7 | 169 | 0 | 0 | 0 | 0 | 114.8 | I3171 | S3169-I3171 PolarHBondContact O-N 3.49Š| ||
| 3170 | E | 31.2 | Very low | 44.9 | Very low | 188 Ų | 188 | 101.3 Ų | 101.3 | 88% | 0.879 | 59% | 0.586 | S | S | * | * | trans | -102 | 98.9 | 157 | -70.2 | -165.3 | 162 | 0 | 0 | 109 | G3168 S3172 | G3168-E3170 PolarHBondContact O-N 3.31Å; G3168-E3170 VanDerWaalsContact O-N 3.12Å; E3170-S3172 PolarHBondContact O-N 2.8Å | ||
| 3171 | I | 36.1 | Very low | 47.8 | Very low | 119 Ų | 119 | 97.2 Ų | 97.2 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | trans | -29.8 | 106.6 | 168.6 | -59.1 | 167.1 | 0 | 0 | 0 | 111.5 | S3169 D3173 | S3169-I3171 PolarHBondContact O-N 3.49Å; I3171-D3173 HydrophobicContact CG2-CB 4.37Å | ||
| 3172 | S | 37.2 | Very low | 50.7 | Low | 93.5 Ų | 93.5 | 95.4 Ų | 95.4 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | trans | -49.4 | 80.7 | 174.4 | 55.5 | 0 | 0 | 0 | 0 | 115.9 | E3170 D3174 | E3170-S3172 PolarHBondContact O-N 2.8Å; S3172-D3174 PolarHBondContact O-N 2.76Å | ||
| 3173 | D | 43.3 | Very low | 53.8 | Low | 130 Ų | 130 | 88 Ų | 88 | 70% | 0.695 | 49% | 0.494 | S | S | * | . | trans | -86.4 | 68.1 | -176.2 | -73.1 | -31.9 | 0 | 0 | 0 | 114.3 | I3153 I3171 Q3175 | I3153-D3173 HydrophobicContact CD1-CB 4.45Å; I3171-D3173 HydrophobicContact CG2-CB 4.37Å; D3173-Q3175 PolarHBondContact O-N 2.75Å | ||
| 3174 | D | 52.2 | Low | 56.8 | Low | 25.5 Ų | 25.5 | 79.5 Ų | 79.5 | 14% | 0.136 | 46% | 0.455 | C | S | . | . | trans | -74.3 | 88.1 | 172.6 | -47.9 | 27.2 | 0 | 0 | 0 | 117 | I3153 S3172 F3176 A3283 R3326 | I3153-D3174 WeakPolarHBondContact CD1-O 3.36Å; S3172-D3174 PolarHBondContact O-N 2.76Å; D3174-F3176 VanDerWaalsContact C-N 3.33Å; D3174-F3176 PolarHBondContact O-N 2.86Å; D3174-A3283 WeakPolarHBondContact OD2-CB 3.37Å; D3174-R3326 IonicContact OD2-CZ 2.86Å; D3174-R3326 IonicContact OD2-NE 2.92Å; D3174-R3326 PolarHBondContact OD2-NE 2.82Å; D3174-R3326 IonicContact OD2-NH2 2.98Å; D3174-R3326 PolarHBondContact OD2-NH2 2.84Å | ||
| 3175 | Q | 57.1 | Low | 59.8 | Low | 79.5 Ų | 79.5 | 78.5 Ų | 78.5 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -66.9 | -25.5 | -168.9 | -62.3 | 177.6 | 1.6 | 0 | 0 | 114.8 | I3153 D3173 S3280 | I3153-Q3175 PolarHBondContact N-O 3.08Å; D3173-Q3175 PolarHBondContact O-N 2.75Å; Q3175-S3280 VanDerWaalsContact CB-OG 3.23Å; Q3175-S3280 WeakPolarHBondContact CB-OG 3.45Å; Q3175-S3280 VanDerWaalsContact CG-OG 3.25Å; Q3175-S3280 WeakPolarHBondContact CG-OG 3.43Å; Q3175-S3280 PolarHBondContact OE1-OG 3.23Å |
| 3176 | F | 65.1 | Low | 62.9 | Low | 14.5 Ų | 14.5 | 73 Ų | 73 | 6% | 0.064 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 118.8 | 173.6 | -169.1 | -83.1 | 0 | 0 | 0 | 111.6 | W3150 R3151 I3152 D3174 V3178 F3264 F3277 L3278 A3283 | W3150-F3176 HydrophobicContact CE3-CE1 4.31Å; W3150-F3176 AromaticContact CE3-CZ 3.96Å; W3150-F3176 HydrophobicContact CE3-CZ 4Å; W3150-F3176 HydrophobicContact CZ3-CZ 4.19Å; R3151-F3176 WeakPolarHBondContact O-CA 3.42Å; I3152-F3176 HydrophobicContact CB-CD2 4.4Å; I3152-F3176 HydrophobicContact CD1-CD2 4.38Å; I3152-F3176 HydrophobicContact CD1-CE2 3.84Å; I3152-F3176 HydrophobicContact CG1-CD2 3.76Å; I3152-F3176 HydrophobicContact CG1-CE2 3.58Å; I3152-F3176 HydrophobicContact CG1-CZ 4.43Å; I3152-F3176 HydrophobicContact CG2-CD2 4.34Å; D3174-F3176 VanDerWaalsContact C-N 3.33Å; D3174-F3176 PolarHBondContact O-N 2.86Å; F3176-V3178 HydrophobicContact CE1-CG2 3.77Å; F3176-V3178 HydrophobicContact CZ-CG2 4.2Å; F3176-F3264 AromaticContact CD1-CE1 3.85Å; F3176-F3264 HydrophobicContact CD1-CE1 3.85Å; F3176-F3264 AromaticContact CD1-CZ 3.8Å; F3176-F3264 HydrophobicContact CD1-CZ 3.8Å; F3176-F3264 AromaticContact CE1-CE1 3.67Å; F3176-F3264 HydrophobicContact CE1-CE1 3.67Å; F3176-F3264 HydrophobicContact CE1-CE2 4.16Å; F3176-F3264 AromaticContact CE1-CZ 3.13Å; F3176-F3264 HydrophobicContact CE1-CZ 3.13Å; F3176-F3264 AromaticContact CZ-CZ 3.76Å; F3176-F3264 HydrophobicContact CZ-CZ 3.76Å; F3176-F3277 HydrophobicContact CD2-CE2 4.15Å; F3176-F3277 HydrophobicContact CE2-CE2 4.32Å; F3176-L3278 HydrophobicContact CD2-CD2 4.35Å; F3176-A3283 PolarHBondContact O-N 3.02Å |
| 3177 | S | 76.5 | Confident | 65.9 | Low | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | R3151 A3283 | R3151-S3177 PolarHBondContact N-O 3.06Å; R3151-S3177 PolarHBondContact O-N 3.32Å; S3177-A3283 VanDerWaalsContact CA-O 3.23Å; S3177-A3283 WeakPolarHBondContact CA-O 3.37Å |
| 3178 | V | 79.9 | Confident | 69.2 | Low | 8.5 Ų | 8.5 | 60 Ų | 60 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112.6 | 172.3 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | Q3149 W3150 F3176 F3264 A3283 L3284 G3285 L3576 | Q3149-V3178 WeakPolarHBondContact O-CA 3.27Å; W3150-V3178 HydrophobicContact CD2-CG1 4.12Å; W3150-V3178 HydrophobicContact CD2-CG2 4.01Å; W3150-V3178 HydrophobicContact CE3-CG1 4.37Å; W3150-V3178 HydrophobicContact CE3-CG2 3.48Å; W3150-V3178 VanDerWaalsContact CE3-CG2 3.48Å; W3150-V3178 HydrophobicContact CH2-CG1 4.32Å; W3150-V3178 HydrophobicContact CH2-CG2 4.19Å; W3150-V3178 HydrophobicContact CZ2-CG1 4.17Å; W3150-V3178 HydrophobicContact CZ3-CG1 4.44Å; W3150-V3178 HydrophobicContact CZ3-CG2 3.59Å; F3176-V3178 HydrophobicContact CE1-CG2 3.77Å; F3176-V3178 HydrophobicContact CZ-CG2 4.2Å; V3178-F3264 HydrophobicContact CG2-CE1 4.49Å; V3178-F3264 HydrophobicContact CG2-CE2 3.91Å; V3178-F3264 HydrophobicContact CG2-CZ 3.92Å; V3178-A3283 PolarHBondContact N-O 3.49Å; V3178-L3284 HydrophobicContact CB-CD2 3.77Å; V3178-L3284 HydrophobicContact CG2-CD2 4Å; V3178-G3285 PolarHBondContact O-N 3.06Å; V3178-L3576 HydrophobicContact CG1-CD2 4.32Å |
| 3179 | L | 85 | Confident | 72.4 | Confident | 30.5 Ų | 30.5 | 58.6 Ų | 58.6 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122 | -179.5 | -142 | 78.6 | 0 | 0 | 0 | 111.4 | Q3149 K3181 G3285 R3287 | Q3149-L3179 PolarHBondContact N-O 3.09Å; Q3149-L3179 PolarHBondContact O-N 2.81Å; L3179-K3181 HydrophobicContact CD2-CD 4.45Å; L3179-K3181 HydrophobicContact CD2-CG 3.93Å; L3179-K3181 HydrophobicContact CG-CG 4.25Å; L3179-K3181 PolarHBondContact O-N 2.7Å; L3179-G3285 WeakPolarHBondContact CA-O 3.49Å; L3179-R3287 HydrophobicContact CD2-CB 4.23Å |
| 3180 | L | 88.8 | Confident | 75.6 | Confident | 39.5 Ų | 39.5 | 54.3 Ų | 54.3 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109.1 | 169.6 | -173.8 | 66.4 | 0 | 0 | 0 | 110.2 | L3146 G3285 S3286 R3287 A3572 V3573 L3576 | L3146-L3180 HydrophobicContact CD1-CD1 3.6Å; L3146-L3180 HydrophobicContact CD1-CD2 4.03Å; L3146-L3180 HydrophobicContact CD1-CG 3.7Å; L3146-L3180 HydrophobicContact CD2-CD1 4.3Å; L3146-L3180 HydrophobicContact CG-CD1 3.86Å; L3180-G3285 PolarHBondContact N-O 2.79Å; L3180-S3286 CarbonylContact O-C 3.53Å; L3180-S3286 VanDerWaalsContact O-CA 3.29Å; L3180-S3286 WeakPolarHBondContact O-CA 3.33Å; L3180-R3287 PolarHBondContact O-N 2.85Å; L3180-A3572 HydrophobicContact CD2-CB 3.45Å; L3180-A3572 VanDerWaalsContact CD2-CB 3.45Å; L3180-V3573 HydrophobicContact CB-CG2 4.07Å; L3180-V3573 HydrophobicContact CD2-CG2 4.42Å; L3180-L3576 HydrophobicContact CD1-CD1 4.15Å |
| 3181 | K | 91.2 | Very high | 78.6 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.5 | 178 | -70.5 | -173.3 | 171.8 | 175.2 | 0 | 111 | L3146 V3147 Q3149 L3179 R3287 | L3146-K3181 CarbonylContact C-O 3.54Å; L3146-K3181 WeakPolarHBondContact CA-O 3.34Å; V3147-K3181 PolarHBondContact N-O 2.79Å; V3147-K3181 WeakPolarHBondContact O-CA 3.37Å; V3147-K3181 WeakPolarHBondContact O-CB 3.48Å; V3147-K3181 PolarHBondContact O-N 3.16Å; Q3149-K3181 VanDerWaalsContact CD-CD 3.42Å; Q3149-K3181 HydrophobicContact CG-CD 3.99Å; Q3149-K3181 HydrophobicContact CG-CG 4.26Å; Q3149-K3181 VanDerWaalsContact NE2-NZ 3.19Å; L3179-K3181 HydrophobicContact CD2-CD 4.45Å; L3179-K3181 HydrophobicContact CD2-CG 3.93Å; L3179-K3181 HydrophobicContact CG-CG 4.25Å; L3179-K3181 PolarHBondContact O-N 2.7Å; K3181-R3287 CarbonylContact C-O 3.47Å; K3181-R3287 WeakPolarHBondContact CA-O 3.43Å; K3181-R3287 HydrophobicContact CG-CB 4.31Å |
| 3182 | Q | 92.8 | Very high | 81.3 | Confident | 42.5 Ų | 42.5 | 40.1 Ų | 40.1 | 20% | 0.199 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.1 | 172.6 | -171.6 | 177.4 | -4.6 | 0 | 0 | 109.8 | R3145 L3146 V3184 R3287 I3288 R3289 Y3568 | R3145-Q3182 CarbonylContact O-C 3.52Å; R3145-Q3182 WeakPolarHBondContact O-CA 3.3Å; L3146-Q3182 HydrophobicContact CD1-CB 3.84Å; L3146-Q3182 HydrophobicContact CD1-CG 4.16Å; Q3182-V3184 HydrophobicContact CG-CG2 4.1Å; Q3182-R3287 PolarHBondContact N-O 2.82Å; Q3182-I3288 HydrophobicContact CB-CG1 4.24Å; Q3182-I3288 HydrophobicContact CB-CG2 4.36Å; Q3182-I3288 CarbonylContact O-C 3.53Å; Q3182-I3288 WeakPolarHBondContact O-CA 3.46Å; Q3182-R3289 PolarHBondContact O-N 3.06Å; Q3182-Y3568 VanDerWaalsContact OE1-CE1 3.25Å; Q3182-Y3568 PolarHBondContact OE1-OH 3.08Å |
| 3183 | V | 93.7 | Very high | 84 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.5 | 174.2 | -177 | 0 | 0 | 0 | 0 | 108 | C3144 R3145 E3185 R3289 | C3144-V3183 CarbonylContact C-O 3.58Å; C3144-V3183 VanDerWaalsContact CA-O 3.3Å; C3144-V3183 WeakPolarHBondContact CA-O 3.2Å; R3145-V3183 PolarHBondContact N-O 2.73Å; R3145-V3183 PolarHBondContact O-N 2.88Å; V3183-E3185 HydrophobicContact CG1-CG 4.04Å; V3183-R3289 CarbonylContact C-O 3.5Å; V3183-R3289 VanDerWaalsContact CA-O 3.31Å; V3183-R3289 WeakPolarHBondContact CA-O 3.31Å |
| 3184 | V | 94.6 | Very high | 86.2 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 7% | 0.073 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.5 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | F3142 K3143 Q3182 W3186 R3289 M3290 K3291 | F3142-V3184 HydrophobicContact CD2-CG1 4.44Å; F3142-V3184 HydrophobicContact CE2-CG1 3.58Å; F3142-V3184 HydrophobicContact CZ-CG1 4.03Å; K3143-V3184 CarbonylContact O-C 3.55Å; K3143-V3184 VanDerWaalsContact O-CA 3.29Å; K3143-V3184 WeakPolarHBondContact O-CA 3.43Å; Q3182-V3184 HydrophobicContact CG-CG2 4.1Å; V3184-W3186 HydrophobicContact CB-CZ3 4.42Å; V3184-W3186 HydrophobicContact CG1-CE3 3.96Å; V3184-W3186 HydrophobicContact CG1-CZ3 3.91Å; V3184-R3289 PolarHBondContact N-O 2.79Å; V3184-M3290 HydrophobicContact CB-CG 4.34Å; V3184-M3290 CarbonylContact O-C 3.48Å; V3184-M3290 VanDerWaalsContact O-CA 3.25Å; V3184-M3290 WeakPolarHBondContact O-CA 3.5Å; V3184-K3291 PolarHBondContact O-N 2.74Å |
| 3185 | E | 93.8 | Very high | 88 | Confident | 76.5 Ų | 76.5 | 37 Ų | 37 | 36% | 0.357 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.3 | 179.5 | -53.7 | -173.2 | 154.3 | 0 | 0 | 110.1 | F3142 K3143 V3183 K3291 | F3142-E3185 CarbonylContact C-O 3.51Å; F3142-E3185 WeakPolarHBondContact CA-O 3.41Å; K3143-E3185 HydrophobicContact CB-CB 4.35Å; K3143-E3185 PolarHBondContact N-O 3.17Å; K3143-E3185 PolarHBondContact O-N 2.9Å; V3183-E3185 HydrophobicContact CG1-CG 4.04Å; E3185-K3291 CarbonylContact C-O 3.55Å; E3185-K3291 WeakPolarHBondContact CA-O 3.32Å; E3185-K3291 HydrophobicContact CG-CB 4.3Å |
| 3186 | W | 94.1 | Very high | 89.5 | Confident | 19.5 Ų | 19.5 | 35.7 Ų | 35.7 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.2 | 171.3 | 59.8 | 91.7 | 0 | 0 | 0 | 110.6 | V3139 F3142 V3184 L3189 M3290 K3291 G3292 A3293 T3295 L3319 | V3139-W3186 HydrophobicContact CG1-CB 4.16Å; F3142-W3186 HydrophobicContact CD2-CB 4.47Å; V3184-W3186 HydrophobicContact CB-CZ3 4.42Å; V3184-W3186 HydrophobicContact CG1-CE3 3.96Å; V3184-W3186 HydrophobicContact CG1-CZ3 3.91Å; W3186-L3189 VanDerWaalsContact CD1-CB 3.44Å; W3186-L3189 HydrophobicContact CD2-CD1 4.28Å; W3186-L3189 HydrophobicContact CG-CB 4.14Å; W3186-L3189 HydrophobicContact CG-CD1 4.45Å; W3186-L3189 HydrophobicContact CZ2-CD1 4.5Å; W3186-M3290 HydrophobicContact CH2-CB 3.92Å; W3186-M3290 HydrophobicContact CH2-CE 3.96Å; W3186-M3290 HydrophobicContact CZ3-CB 3.93Å; W3186-M3290 HydrophobicContact CZ3-CE 4.08Å; W3186-K3291 PolarHBondContact N-O 2.85Å; W3186-G3292 VanDerWaalsContact NE1-CA 3.32Å; W3186-G3292 WeakPolarHBondContact O-CA 3.3Å; W3186-A3293 PolarHBondContact O-N 2.75Å; W3186-T3295 PolarHBondContact NE1-OG1 2.97Å; W3186-L3319 HydrophobicContact CZ2-CD2 4.29Å |
| 3187 | D | 93.8 | Very high | 90.7 | Very high | 79 Ų | 79 | 35 Ų | 35 | 42% | 0.422 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -68.4 | 173.8 | -177.8 | 29.9 | 0 | 0 | 0 | 109.8 | T3140 A3141 A3293 R3294 | T3140-D3187 PolarHBondContact O-N 2.92Å; A3141-D3187 HydrophobicContact CB-CB 3.86Å; D3187-A3293 CarbonylContact O-C 3.56Å; D3187-A3293 WeakPolarHBondContact O-CB 3.29Å; D3187-A3293 PolarHBondContact O-N 2.84Å; D3187-A3293 WeakPolarHBondContact OD1-CB 3.35Å; D3187-R3294 PolarHBondContact O-N 2.84Å |
| 3188 | T | 92.4 | Very high | 91.3 | Very high | 21.5 Ų | 21.5 | 38.8 Ų | 38.8 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.1 | 172.3 | 71.2 | 0 | 0 | 0 | 0 | 110.9 | V3139 T3140 R3294 | V3139-T3188 CarbonylContact C-O 3.56Å; V3139-T3188 VanDerWaalsContact CA-O 3.26Å; V3139-T3188 WeakPolarHBondContact CA-O 3.41Å; T3140-T3188 WeakPolarHBondContact CG2-OG1 3.44Å; T3140-T3188 PolarHBondContact N-O 3.13Å; T3140-T3188 WeakPolarHBondContact OG1-CB 3.33Å; T3140-T3188 PolarHBondContact OG1-N 2.87Å; T3140-T3188 PolarHBondContact OG1-OG1 2.83Å; T3188-R3294 CarbonylContact C-O 3.59Å; T3188-R3294 WeakPolarHBondContact CA-O 3.43Å; T3188-R3294 HydrophobicContact CG2-CB 4.3Å |
| 3189 | L | 94.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 113.6 | 169.6 | -175.3 | 158.2 | 0 | 0 | 0 | 107.6 | V3139 W3186 R3294 T3295 S3296 | V3139-L3189 HydrophobicContact CG2-CG 4.23Å; W3186-L3189 VanDerWaalsContact CD1-CB 3.44Å; W3186-L3189 HydrophobicContact CD2-CD1 4.28Å; W3186-L3189 HydrophobicContact CG-CB 4.14Å; W3186-L3189 HydrophobicContact CG-CD1 4.45Å; W3186-L3189 HydrophobicContact CZ2-CD1 4.5Å; L3189-R3294 PolarHBondContact N-O 3.14Å; L3189-T3295 HydrophobicContact CB-CG2 4.4Å; L3189-T3295 HydrophobicContact CD2-CG2 3.99Å; L3189-T3295 CarbonylContact O-C 3.51Å; L3189-T3295 VanDerWaalsContact O-CA 3.3Å; L3189-T3295 WeakPolarHBondContact O-CA 3.29Å; L3189-S3296 PolarHBondContact O-N 2.78Å |
| 3190 | E | 93.7 | Very high | 92 | Very high | 25.5 Ų | 25.5 | 41.2 Ų | 41.2 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.3 | 178 | -52.6 | -163.5 | 141.8 | 0 | 0 | 109.9 | L3137 F3138 S3296 F3382 | L3137-E3190 WeakPolarHBondContact CA-O 3.17Å; F3138-E3190 PolarHBondContact N-O 3.35Å; F3138-E3190 PolarHBondContact O-N 3.03Å; E3190-S3296 CarbonylContact C-O 3.5Å; E3190-S3296 VanDerWaalsContact CA-O 3.26Å; E3190-S3296 WeakPolarHBondContact CA-O 3.39Å; E3190-F3382 VanDerWaalsContact C-CE1 3.41Å; E3190-F3382 HydrophobicContact CB-CD1 3.49Å; E3190-F3382 VanDerWaalsContact CB-CD1 3.49Å; E3190-F3382 HydrophobicContact CB-CE1 3.4Å; E3190-F3382 HydrophobicContact CB-CG 4.41Å; E3190-F3382 HydrophobicContact CB-CZ 4.25Å; E3190-F3382 HydrophobicContact CG-CD1 4.49Å; E3190-F3382 VanDerWaalsContact O-CE1 3.31Å; E3190-F3382 WeakPolarHBondContact O-CE1 3.46Å; E3190-F3382 VanDerWaalsContact O-CZ 3.26Å; E3190-F3382 WeakPolarHBondContact O-CZ 3.34Å; E3190-F3382 WeakPolarHBondContact OE2-CD1 3.36Å |
| 3191 | A | 94.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F3135 M3136 L3137 S3296 L3297 A3298 | F3135-A3191 HydrophobicContact CE2-CB 4.13Å; F3135-A3191 HydrophobicContact CZ-CB 4.36Å; M3136-A3191 CarbonylContact O-C 3.59Å; M3136-A3191 WeakPolarHBondContact O-CA 3.32Å; L3137-A3191 HydrophobicContact CD1-CB 4.11Å; A3191-S3296 PolarHBondContact N-O 2.74Å; A3191-L3297 HydrophobicContact CB-CD1 3.88Å; A3191-L3297 CarbonylContact O-C 3.53Å; A3191-L3297 WeakPolarHBondContact O-CA 3.45Å; A3191-A3298 PolarHBondContact O-N 2.88Å |
| 3192 | L | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125 | 173.4 | -48.6 | 180 | 0 | 0 | 0 | 108.8 | F3135 M3136 A3298 F3300 F3305 W3381 F3382 A3385 | F3135-L3192 WeakPolarHBondContact CA-O 3.31Å; F3135-L3192 VanDerWaalsContact CD2-O 3.3Å; F3135-L3192 WeakPolarHBondContact CD2-O 3.31Å; M3136-L3192 HydrophobicContact CB-CB 4.21Å; M3136-L3192 HydrophobicContact CB-CD1 4.23Å; M3136-L3192 HydrophobicContact CB-CG 4.32Å; M3136-L3192 HydrophobicContact CE-CD1 4.11Å; M3136-L3192 PolarHBondContact N-O 2.92Å; M3136-L3192 VanDerWaalsContact N-O 3.15Å; M3136-L3192 PolarHBondContact O-N 3.05Å; M3136-L3192 HydrophobicContact SD-CD1 4.28Å; L3192-A3298 WeakPolarHBondContact CA-O 3.37Å; L3192-A3298 HydrophobicContact CD2-CB 3.41Å; L3192-A3298 VanDerWaalsContact CD2-CB 3.41Å; L3192-F3300 HydrophobicContact CB-CE2 4.34Å; L3192-F3300 HydrophobicContact CD2-CE2 4.4Å; L3192-F3305 HydrophobicContact CB-CE1 3.84Å; L3192-F3305 HydrophobicContact CB-CZ 3.98Å; L3192-W3381 HydrophobicContact CD1-CB 3.9Å; L3192-F3382 HydrophobicContact CD1-CD1 4.37Å; L3192-F3382 HydrophobicContact CD1-CE1 4.22Å; L3192-F3382 HydrophobicContact CD2-CD1 4.1Å; L3192-F3382 HydrophobicContact CD2-CE1 3.91Å; L3192-F3382 HydrophobicContact CG-CD1 4.1Å; L3192-F3382 HydrophobicContact CG-CE1 3.62Å; L3192-F3382 HydrophobicContact CG-CZ 4.09Å; L3192-A3385 HydrophobicContact CD1-CB 4.23Å; L3192-A3385 HydrophobicContact CD2-CB 3.6Å |
| 3193 | M | 93 | Very high | 91.9 | Very high | 42.5 Ų | 42.5 | 49 Ų | 49 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.4 | -179.6 | -61.7 | -178.2 | 72.2 | 0 | 0 | 110.4 | F3135 T3197 V3198 L3297 A3298 F3300 Y3476 | F3135-M3193 HydrophobicContact CD2-CG 3.78Å; F3135-M3193 HydrophobicContact CE2-CG 3.79Å; F3135-M3193 HydrophobicContact CE2-SD 4.39Å; M3193-T3197 HydrophobicContact CB-CG2 4.4Å; M3193-T3197 HydrophobicContact CE-CG2 3.87Å; M3193-T3197 HydrophobicContact CG-CG2 4.36Å; M3193-V3198 HydrophobicContact CE-CG2 4.15Å; M3193-L3297 HydrophobicContact CG-CD1 3.96Å; M3193-L3297 HydrophobicContact SD-CD1 3.71Å; M3193-A3298 PolarHBondContact N-O 3.04Å; M3193-F3300 WeakPolarHBondContact O-CD2 3.43Å; M3193-F3300 PolarHBondContact O-N 3.13Å; M3193-Y3476 HydrophobicContact CB-CE1 4.48Å; M3193-Y3476 PolarHBondContact O-OH 3.21Å |
| 3194 | T | 90.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 168.2 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | N3196 T3197 F3305 Y3476 | T3194-N3196 PolarHBondContact O-N 3.37Å; T3194-N3196 VanDerWaalsContact O-N 3.09Å; T3194-T3197 WeakPolarHBondContact CA-OG1 3.44Å; T3194-T3197 PolarHBondContact N-OG1 3.28Å; T3194-T3197 WeakPolarHBondContact O-CB 3.5Å; T3194-T3197 PolarHBondContact O-N 3.15Å; T3194-T3197 VanDerWaalsContact O-N 3.07Å; T3194-T3197 PolarHBondContact O-OG1 3.37Å; T3194-T3197 VanDerWaalsContact O-OG1 3.12Å; T3194-T3197 PolarHBondContact OG1-N 2.76Å; T3194-T3197 PolarHBondContact OG1-OG1 3.39Å; T3194-F3305 HydrophobicContact CG2-CD1 3.98Å; T3194-F3305 HydrophobicContact CG2-CD2 3.99Å; T3194-F3305 HydrophobicContact CG2-CE1 3.73Å; T3194-F3305 HydrophobicContact CG2-CE2 3.75Å; T3194-F3305 HydrophobicContact CG2-CG 4.1Å; T3194-F3305 HydrophobicContact CG2-CZ 3.62Å; T3194-Y3476 VanDerWaalsContact C-CZ 3.48Å; T3194-Y3476 WeakPolarHBondContact CA-OH 3.48Å; T3194-Y3476 WeakPolarHBondContact O-CE1 3.22Å; T3194-Y3476 PolarHBondContact O-OH 3.19Å |
| 3195 | R | 88.9 | Confident | 91.6 | Very high | 135.5 Ų | 135.5 | 54.4 Ų | 54.4 | 51% | 0.511 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.6 | 178.5 | -177.8 | 178 | 173.6 | -177.3 | -0.9 | 113.7 | F3300 G3302 S3475 Y3476 S3479 | R3195-F3300 PolarHBondContact N-O 2.93Å; R3195-G3302 PolarHBondContact N-O 2.84Å; R3195-S3475 PolarHBondContact NE-O 3.01Å; R3195-Y3476 HydrophobicContact CB-CE2 4.18Å; R3195-Y3476 HydrophobicContact CG-CD2 4.5Å; R3195-Y3476 PolarHBondContact N-OH 2.98Å; R3195-S3479 PolarHBondContact O-OG 3.08Å |
| 3196 | N | 88.4 | Confident | 91.5 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 28% | 0.283 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6.1 | -176.2 | -68.1 | -3.6 | 0 | 0 | 0 | 113.6 | T3194 V3198 Y3199 D3200 | T3194-N3196 PolarHBondContact O-N 3.37Å; T3194-N3196 VanDerWaalsContact O-N 3.09Å; N3196-V3198 VanDerWaalsContact C-N 3.32Å; N3196-V3198 PolarHBondContact O-N 2.76Å; N3196-V3198 VanDerWaalsContact O-N 3.12Å; N3196-Y3199 WeakPolarHBondContact O-CB 3.41Å; N3196-Y3199 PolarHBondContact O-N 3.11Å; N3196-D3200 VanDerWaalsContact CB-OD2 3.27Å; N3196-D3200 WeakPolarHBondContact CB-OD2 3.31Å; N3196-D3200 PolarHBondContact O-N 3.12Å |
| 3197 | T | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.1 | -45.8 | -171 | -61 | 0 | 0 | 0 | 0 | 113.3 | I3134 F3135 M3193 T3194 Y3199 D3200 F3201 | I3134-T3197 WeakPolarHBondContact O-CG2 3.4Å; I3134-T3197 PolarHBondContact O-OG1 3.25Å; F3135-T3197 HydrophobicContact CB-CG2 3.98Å; F3135-T3197 HydrophobicContact CD2-CG2 4.01Å; F3135-T3197 HydrophobicContact CG-CG2 4.35Å; M3193-T3197 HydrophobicContact CB-CG2 4.4Å; M3193-T3197 HydrophobicContact CE-CG2 3.87Å; M3193-T3197 HydrophobicContact CG-CG2 4.36Å; T3194-T3197 WeakPolarHBondContact CA-OG1 3.44Å; T3194-T3197 PolarHBondContact N-OG1 3.28Å; T3194-T3197 WeakPolarHBondContact O-CB 3.5Å; T3194-T3197 PolarHBondContact O-N 3.15Å; T3194-T3197 VanDerWaalsContact O-N 3.07Å; T3194-T3197 PolarHBondContact O-OG1 3.37Å; T3194-T3197 VanDerWaalsContact O-OG1 3.12Å; T3194-T3197 PolarHBondContact OG1-N 2.76Å; T3194-T3197 PolarHBondContact OG1-OG1 3.39Å; T3197-Y3199 PolarHBondContact O-N 2.86Å; T3197-D3200 PolarHBondContact O-N 2.89Å; T3197-F3201 HydrophobicContact CG2-CD2 3.47Å; T3197-F3201 VanDerWaalsContact CG2-CD2 3.47Å; T3197-F3201 HydrophobicContact CG2-CE2 3.35Å; T3197-F3201 WeakPolarHBondContact O-CB 3.41Å; T3197-F3201 WeakPolarHBondContact O-CD2 3.41Å; T3197-F3201 PolarHBondContact O-N 3.35Å |
| 3198 | V | 90 | Very high | 91.2 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 54% | 0.539 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | M3193 N3196 R3202 | M3193-V3198 HydrophobicContact CE-CG2 4.15Å; N3196-V3198 VanDerWaalsContact C-N 3.32Å; N3196-V3198 PolarHBondContact O-N 2.76Å; N3196-V3198 VanDerWaalsContact O-N 3.12Å; V3198-R3202 PolarHBondContact O-N 3.23Å; V3198-R3202 VanDerWaalsContact O-N 3.12Å |
| 3199 | Y | 89.4 | Confident | 91.1 | Very high | 79.5 Ų | 79.5 | 61.5 Ų | 61.5 | 31% | 0.312 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70 | -41 | 179.9 | 179.2 | -108.6 | 0 | 0 | 0 | 112.1 | N3196 T3197 R3202 R3203 G3483 P3484 | N3196-Y3199 WeakPolarHBondContact O-CB 3.41Å; N3196-Y3199 PolarHBondContact O-N 3.11Å; T3197-Y3199 PolarHBondContact O-N 2.86Å; Y3199-R3202 PolarHBondContact O-N 3.09Å; Y3199-R3203 HydrophobicContact CE1-CG 4.47Å; Y3199-R3203 VanDerWaalsContact CZ-CZ 3.45Å; Y3199-R3203 PolarHBondContact O-N 2.97Å; Y3199-R3203 VanDerWaalsContact O-N 3.11Å; Y3199-R3203 PolarHBondContact OH-NE 2.94Å; Y3199-R3203 VanDerWaalsContact OH-NE 3.09Å; Y3199-R3203 PolarHBondContact OH-NH2 2.82Å; Y3199-G3483 WeakPolarHBondContact OH-CA 3.41Å; Y3199-P3484 HydrophobicContact CE1-CG 4.16Å; Y3199-P3484 WeakPolarHBondContact OH-CD 3.25Å |
| 3200 | D | 90.7 | Very high | 90.8 | Very high | 10.5 Ų | 10.5 | 63.4 Ų | 63.4 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -37.4 | 176.4 | -67.4 | -31.4 | 0 | 0 | 0 | 111.4 | W3129 I3134 N3196 T3197 R3202 R3203 I3204 | W3129-D3200 HydrophobicContact CG-CB 4.42Å; I3134-D3200 HydrophobicContact CD1-CB 3.78Å; I3134-D3200 HydrophobicContact CG2-CB 4.23Å; N3196-D3200 VanDerWaalsContact CB-OD2 3.27Å; N3196-D3200 WeakPolarHBondContact CB-OD2 3.31Å; N3196-D3200 PolarHBondContact O-N 3.12Å; T3197-D3200 PolarHBondContact O-N 2.89Å; D3200-R3202 VanDerWaalsContact C-N 3.33Å; D3200-R3202 PolarHBondContact O-N 2.88Å; D3200-R3203 WeakPolarHBondContact O-CB 3.32Å; D3200-R3203 PolarHBondContact O-N 2.86Å; D3200-R3203 VanDerWaalsContact O-N 3.17Å; D3200-R3203 IonicContact OD1-NH1 3.27Å; D3200-I3204 WeakPolarHBondContact O-CB 3.24Å; D3200-I3204 VanDerWaalsContact O-CG1 3.27Å; D3200-I3204 WeakPolarHBondContact O-CG1 3.37Å; D3200-I3204 PolarHBondContact O-N 2.9Å |
| 3201 | F | 91.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 171.1 | -90.7 | -58.8 | 0 | 0 | 0 | 112.5 | V3127 F3135 T3197 R3203 I3204 Y3205 | V3127-F3201 HydrophobicContact CB-CE1 4.42Å; V3127-F3201 HydrophobicContact CB-CZ 4.36Å; V3127-F3201 HydrophobicContact CG1-CE1 4.08Å; V3127-F3201 HydrophobicContact CG1-CZ 4.45Å; V3127-F3201 HydrophobicContact CG2-CE1 4.26Å; V3127-F3201 HydrophobicContact CG2-CZ 4.25Å; F3135-F3201 HydrophobicContact CB-CE2 3.6Å; F3135-F3201 HydrophobicContact CB-CZ 3.58Å; F3135-F3201 AromaticContact CD1-CE2 3.98Å; F3135-F3201 HydrophobicContact CD1-CE2 3.98Å; F3135-F3201 AromaticContact CD1-CZ 3.53Å; F3135-F3201 HydrophobicContact CD1-CZ 3.53Å; F3135-F3201 HydrophobicContact CD2-CE2 4.01Å; F3135-F3201 HydrophobicContact CD2-CZ 4.4Å; F3135-F3201 HydrophobicContact CE1-CZ 4.25Å; F3135-F3201 AromaticContact CG-CE2 3.6Å; F3135-F3201 HydrophobicContact CG-CE2 3.6Å; F3135-F3201 AromaticContact CG-CZ 3.58Å; F3135-F3201 HydrophobicContact CG-CZ 3.58Å; T3197-F3201 HydrophobicContact CG2-CD2 3.47Å; T3197-F3201 VanDerWaalsContact CG2-CD2 3.47Å; T3197-F3201 HydrophobicContact CG2-CE2 3.35Å; T3197-F3201 WeakPolarHBondContact O-CB 3.41Å; T3197-F3201 WeakPolarHBondContact O-CD2 3.41Å; T3197-F3201 PolarHBondContact O-N 3.35Å; F3201-R3203 VanDerWaalsContact C-N 3.32Å; F3201-R3203 PolarHBondContact O-N 2.84Å; F3201-I3204 HydrophobicContact CD1-CD1 4.47Å; F3201-I3204 PolarHBondContact O-N 2.87Å; F3201-Y3205 WeakPolarHBondContact O-CB 3.3Å; F3201-Y3205 PolarHBondContact O-N 2.83Å |
| 3202 | R | 88.4 | Confident | 90.1 | Very high | 163 Ų | 163 | 67.4 Ų | 67.4 | 62% | 0.615 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.5 | -41.3 | 174.6 | -172.7 | 179.4 | -179.9 | -171.1 | 0.7 | 111.5 | V3198 Y3199 D3200 Y3205 L3206 | V3198-R3202 PolarHBondContact O-N 3.23Å; V3198-R3202 VanDerWaalsContact O-N 3.12Å; Y3199-R3202 PolarHBondContact O-N 3.09Å; D3200-R3202 VanDerWaalsContact C-N 3.33Å; D3200-R3202 PolarHBondContact O-N 2.88Å; R3202-Y3205 PolarHBondContact O-N 3.33Å; R3202-L3206 HydrophobicContact CG-CD1 4.36Å; R3202-L3206 WeakPolarHBondContact O-CG 3.35Å; R3202-L3206 PolarHBondContact O-N 2.8Å |
| 3203 | R | 89.6 | Confident | 89.7 | Confident | 65 Ų | 65 | 69 Ų | 69 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 175.3 | -74.2 | 174.7 | 158.6 | -176.1 | -5.3 | 112.6 | W3129 Y3199 D3200 F3201 Y3205 L3206 K3207 | W3129-R3203 HydrophobicContact CH2-CB 4.17Å; W3129-R3203 HydrophobicContact CZ2-CB 4.13Å; Y3199-R3203 HydrophobicContact CE1-CG 4.47Å; Y3199-R3203 VanDerWaalsContact CZ-CZ 3.45Å; Y3199-R3203 PolarHBondContact O-N 2.97Å; Y3199-R3203 VanDerWaalsContact O-N 3.11Å; Y3199-R3203 PolarHBondContact OH-NE 2.94Å; Y3199-R3203 VanDerWaalsContact OH-NE 3.09Å; Y3199-R3203 PolarHBondContact OH-NH2 2.82Å; D3200-R3203 WeakPolarHBondContact O-CB 3.32Å; D3200-R3203 PolarHBondContact O-N 2.86Å; D3200-R3203 VanDerWaalsContact O-N 3.17Å; D3200-R3203 IonicContact OD1-NH1 3.27Å; F3201-R3203 VanDerWaalsContact C-N 3.32Å; F3201-R3203 PolarHBondContact O-N 2.84Å; R3203-Y3205 VanDerWaalsContact C-N 3.35Å; R3203-L3206 PolarHBondContact O-N 2.73Å; R3203-K3207 WeakPolarHBondContact O-CB 3.39Å; R3203-K3207 WeakPolarHBondContact O-CG 3.35Å; R3203-K3207 PolarHBondContact O-N 2.97Å |
| 3204 | I | 92.1 | Very high | 89.3 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58 | -50.1 | 174.7 | -71.5 | 166.5 | 0 | 0 | 0 | 109.5 | V3089 V3127 W3129 I3134 D3200 F3201 L3206 K3207 L3208 | V3089-I3204 HydrophobicContact CG1-CG1 4.47Å; V3089-I3204 HydrophobicContact CG1-CG2 3.99Å; V3089-I3204 HydrophobicContact CG2-CB 4.49Å; V3089-I3204 HydrophobicContact CG2-CG1 4.1Å; V3089-I3204 HydrophobicContact CG2-CG2 4.08Å; V3127-I3204 HydrophobicContact CG1-CD1 3.88Å; W3129-I3204 HydrophobicContact CB-CD1 4.35Å; W3129-I3204 HydrophobicContact CD2-CG1 4.18Å; W3129-I3204 HydrophobicContact CE3-CD1 4.14Å; W3129-I3204 HydrophobicContact CE3-CG1 3.33Å; W3129-I3204 HydrophobicContact CZ3-CG1 3.74Å; I3134-I3204 HydrophobicContact CD1-CD1 3.47Å; I3134-I3204 VanDerWaalsContact CD1-CD1 3.47Å; D3200-I3204 WeakPolarHBondContact O-CB 3.24Å; D3200-I3204 VanDerWaalsContact O-CG1 3.27Å; D3200-I3204 WeakPolarHBondContact O-CG1 3.37Å; D3200-I3204 PolarHBondContact O-N 2.9Å; F3201-I3204 HydrophobicContact CD1-CD1 4.47Å; F3201-I3204 PolarHBondContact O-N 2.87Å; I3204-L3206 PolarHBondContact O-N 3.21Å; I3204-K3207 PolarHBondContact O-N 2.68Å; I3204-L3208 HydrophobicContact CG2-CD1 3.62Å; I3204-L3208 HydrophobicContact CG2-CG 4.17Å; I3204-L3208 WeakPolarHBondContact O-CB 3.35Å; I3204-L3208 WeakPolarHBondContact O-CG 3.4Å; I3204-L3208 PolarHBondContact O-N 3.18Å |
| 3205 | Y | 91.9 | Very high | 88.8 | Confident | 148 Ų | 148 | 73.3 Ų | 73.3 | 58% | 0.58 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -55.9 | -52.7 | 178.2 | 169.6 | -99.3 | 0 | 0 | 0 | 111.4 | F3201 R3202 R3203 K3207 L3208 Y3209 | F3201-Y3205 WeakPolarHBondContact O-CB 3.3Å; F3201-Y3205 PolarHBondContact O-N 2.83Å; R3202-Y3205 PolarHBondContact O-N 3.33Å; R3203-Y3205 VanDerWaalsContact C-N 3.35Å; Y3205-K3207 VanDerWaalsContact C-N 3.32Å; Y3205-K3207 PolarHBondContact O-N 3.04Å; Y3205-L3208 PolarHBondContact O-N 2.76Å; Y3205-Y3209 WeakPolarHBondContact O-CB 3.29Å; Y3205-Y3209 PolarHBondContact O-N 3.16Å |
| 3206 | L | 90.4 | Very high | 88.2 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 179.8 | -70.8 | 172.3 | 0 | 0 | 0 | 112.1 | R3202 R3203 I3204 E3210 | R3202-L3206 HydrophobicContact CG-CD1 4.36Å; R3202-L3206 WeakPolarHBondContact O-CG 3.35Å; R3202-L3206 PolarHBondContact O-N 2.8Å; R3203-L3206 PolarHBondContact O-N 2.73Å; I3204-L3206 PolarHBondContact O-N 3.21Å; L3206-E3210 WeakPolarHBondContact O-CB 3.43Å; L3206-E3210 PolarHBondContact O-N 3.2Å |
| 3207 | K | 91.2 | Very high | 87.5 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.1 | -40 | 180 | -78 | -73.4 | 162.6 | -152.8 | 0 | 113.4 | W3129 R3203 I3204 Y3205 E3210 F3211 | W3129-K3207 HydrophobicContact CH2-CG 4.21Å; R3203-K3207 WeakPolarHBondContact O-CB 3.39Å; R3203-K3207 WeakPolarHBondContact O-CG 3.35Å; R3203-K3207 PolarHBondContact O-N 2.97Å; I3204-K3207 PolarHBondContact O-N 2.68Å; Y3205-K3207 VanDerWaalsContact C-N 3.32Å; Y3205-K3207 PolarHBondContact O-N 3.04Å; K3207-E3210 IonicContact NZ-OE2 3.82Å; K3207-E3210 PolarHBondContact NZ-OE2 3.42Å; K3207-F3211 VanDerWaalsContact O-CB 3.22Å; K3207-F3211 WeakPolarHBondContact O-CB 3.36Å; K3207-F3211 PolarHBondContact O-N 3.13Å |
| 3208 | L | 91.1 | Very high | 86.6 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 173.5 | -71.8 | 176.2 | 0 | 0 | 0 | 110.6 | V3044 M3045 I3204 Y3205 F3211 F3212 | V3044-L3208 HydrophobicContact CG1-CD2 3.82Å; M3045-L3208 HydrophobicContact CG-CD2 3.82Å; M3045-L3208 HydrophobicContact SD-CD2 3.67Å; I3204-L3208 HydrophobicContact CG2-CD1 3.62Å; I3204-L3208 HydrophobicContact CG2-CG 4.17Å; I3204-L3208 WeakPolarHBondContact O-CB 3.35Å; I3204-L3208 WeakPolarHBondContact O-CG 3.4Å; I3204-L3208 PolarHBondContact O-N 3.18Å; Y3205-L3208 PolarHBondContact O-N 2.76Å; L3208-F3211 PolarHBondContact O-N 2.75Å; L3208-F3212 HydrophobicContact CB-CD2 4.36Å; L3208-F3212 HydrophobicContact CB-CE2 4.39Å; L3208-F3212 HydrophobicContact CD2-CE2 4.24Å; L3208-F3212 WeakPolarHBondContact O-CD2 3.29Å; L3208-F3212 PolarHBondContact O-N 2.96Å |
| 3209 | Y | 90.5 | Very high | 85.6 | Confident | 133 Ų | 133 | 75.3 Ų | 75.3 | 52% | 0.522 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 176.9 | -178.3 | -94.1 | 0 | 0 | 0 | 111.5 | Y3205 F3211 F3212 D3213 | Y3205-Y3209 WeakPolarHBondContact O-CB 3.29Å; Y3205-Y3209 PolarHBondContact O-N 3.16Å; Y3209-F3211 VanDerWaalsContact C-N 3.28Å; Y3209-F3211 PolarHBondContact O-N 2.85Å; Y3209-F3212 PolarHBondContact O-N 3.2Å; Y3209-D3213 HydrophobicContact CE1-CB 4.47Å; Y3209-D3213 WeakPolarHBondContact O-CB 3.38Å; Y3209-D3213 PolarHBondContact O-N 3.3Å |
| 3210 | E | 88.5 | Confident | 84.5 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.3 | -44.6 | 176.2 | -177.3 | -174.4 | -178.3 | 0 | 0 | 111.2 | L3206 K3207 Q3214 | L3206-E3210 WeakPolarHBondContact O-CB 3.43Å; L3206-E3210 PolarHBondContact O-N 3.2Å; K3207-E3210 IonicContact NZ-OE2 3.82Å; K3207-E3210 PolarHBondContact NZ-OE2 3.42Å; E3210-Q3214 VanDerWaalsContact O-CB 3.27Å; E3210-Q3214 WeakPolarHBondContact O-CB 3.34Å; E3210-Q3214 WeakPolarHBondContact O-CG 3.35Å; E3210-Q3214 PolarHBondContact O-N 2.81Å; E3210-Q3214 PolarHBondContact OE1-NE2 2.94Å |
| 3211 | F | 86.8 | Confident | 82.9 | Confident | 21 Ų | 21 | 83 Ų | 83 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -51.4 | 179.3 | 176.2 | -95.4 | 0 | 0 | 0 | 112.5 | M2926 V3044 K3207 L3208 Y3209 Q3214 Q3215 | M2926-F3211 HydrophobicContact CE-CE1 3.26Å; M2926-F3211 HydrophobicContact CE-CZ 3.5Å; M2926-F3211 VanDerWaalsContact CE-CZ 3.5Å; M2926-F3211 HydrophobicContact CG-CE1 4.41Å; M2926-F3211 HydrophobicContact CG-CZ 4Å; M2926-F3211 HydrophobicContact SD-CE1 3.65Å; M2926-F3211 HydrophobicContact SD-CZ 3.86Å; V3044-F3211 HydrophobicContact CB-CD2 4.29Å; V3044-F3211 HydrophobicContact CB-CG 4.28Å; V3044-F3211 HydrophobicContact CG1-CB 4.46Å; V3044-F3211 HydrophobicContact CG2-CB 4.03Å; V3044-F3211 HydrophobicContact CG2-CD2 3.68Å; V3044-F3211 HydrophobicContact CG2-CE2 4.43Å; V3044-F3211 HydrophobicContact CG2-CG 3.93Å; K3207-F3211 VanDerWaalsContact O-CB 3.22Å; K3207-F3211 WeakPolarHBondContact O-CB 3.36Å; K3207-F3211 PolarHBondContact O-N 3.13Å; L3208-F3211 PolarHBondContact O-N 2.75Å; Y3209-F3211 VanDerWaalsContact C-N 3.28Å; Y3209-F3211 PolarHBondContact O-N 2.85Å; F3211-Q3214 PolarHBondContact O-N 3.32Å; F3211-Q3215 HydrophobicContact CD1-CG 4.31Å; F3211-Q3215 HydrophobicContact CD2-CG 4.39Å; F3211-Q3215 HydrophobicContact CE1-CG 3.83Å; F3211-Q3215 HydrophobicContact CE2-CG 3.95Å; F3211-Q3215 HydrophobicContact CZ-CG 3.63Å; F3211-Q3215 VanDerWaalsContact O-CG 3.29Å; F3211-Q3215 WeakPolarHBondContact O-CG 3.38Å; F3211-Q3215 PolarHBondContact O-N 2.87Å |
| 3212 | F | 85.2 | Confident | 81.3 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 43% | 0.425 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | -179.9 | -76.4 | -62.8 | 0 | 0 | 0 | 112.2 | M2926 L3208 Y3209 Q3215 F3216 | M2926-F3212 HydrophobicContact CE-CE1 4.5Å; L3208-F3212 HydrophobicContact CB-CD2 4.36Å; L3208-F3212 HydrophobicContact CB-CE2 4.39Å; L3208-F3212 HydrophobicContact CD2-CE2 4.24Å; L3208-F3212 WeakPolarHBondContact O-CD2 3.29Å; L3208-F3212 PolarHBondContact O-N 2.96Å; Y3209-F3212 PolarHBondContact O-N 3.2Å; F3212-Q3215 PolarHBondContact O-N 3.16Å; F3212-F3216 WeakPolarHBondContact O-CB 3.36Å; F3212-F3216 PolarHBondContact O-N 2.88Å |
| 3213 | D | 85.6 | Confident | 79.6 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174.6 | 178.4 | 61.2 | 0 | 0 | 0 | 111.1 | Y3209 F3216 R3217 | Y3209-D3213 HydrophobicContact CE1-CB 4.47Å; Y3209-D3213 WeakPolarHBondContact O-CB 3.38Å; Y3209-D3213 PolarHBondContact O-N 3.3Å; D3213-F3216 PolarHBondContact O-N 2.86Å; D3213-R3217 VanDerWaalsContact CG-NH2 3.29Å; D3213-R3217 VanDerWaalsContact O-CB 3.28Å; D3213-R3217 WeakPolarHBondContact O-CB 3.11Å; D3213-R3217 VanDerWaalsContact O-CG 3.28Å; D3213-R3217 WeakPolarHBondContact O-CG 3.36Å; D3213-R3217 PolarHBondContact O-N 3.1Å; D3213-R3217 IonicContact OD1-CZ 3.31Å; D3213-R3217 IonicContact OD1-NE 3.24Å; D3213-R3217 PolarHBondContact OD1-NE 3.41Å; D3213-R3217 IonicContact OD1-NH1 3.48Å; D3213-R3217 IonicContact OD1-NH2 2.8Å; D3213-R3217 PolarHBondContact OD1-NH2 3.06Å; D3213-R3217 IonicContact OD2-CZ 2.8Å; D3213-R3217 IonicContact OD2-NE 2.79Å; D3213-R3217 PolarHBondContact OD2-NE 2.82Å; D3213-R3217 IonicContact OD2-NH1 3.58Å; D3213-R3217 PolarHBondContact OD2-NH1 2.87Å; D3213-R3217 IonicContact OD2-NH2 3.99Å; D3213-R3217 PolarHBondContact OD2-NH2 3.06Å |
| 3214 | Q | 84 | Confident | 78 | Confident | 100 Ų | 100 | 79 Ų | 79 | 47% | 0.467 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 172.5 | -76.1 | 172.3 | 6.2 | 0 | 0 | 112.2 | E3210 F3211 S3218 | E3210-Q3214 VanDerWaalsContact O-CB 3.27Å; E3210-Q3214 WeakPolarHBondContact O-CB 3.34Å; E3210-Q3214 WeakPolarHBondContact O-CG 3.35Å; E3210-Q3214 PolarHBondContact O-N 2.81Å; E3210-Q3214 PolarHBondContact OE1-NE2 2.94Å; F3211-Q3214 PolarHBondContact O-N 3.32Å; Q3214-S3218 VanDerWaalsContact O-CB 3.3Å; Q3214-S3218 WeakPolarHBondContact O-CB 3.31Å; Q3214-S3218 PolarHBondContact O-N 3.02Å; Q3214-S3218 PolarHBondContact O-OG 2.82Å |
| 3215 | Q | 82 | Confident | 75.9 | Confident | 38 Ų | 38 | 84.1 Ų | 84.1 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 178.6 | -67.3 | -50.1 | -46.8 | 0 | 0 | 111.5 | M2926 L2929 F3211 F3212 S3218 G3219 | M2926-Q3215 HydrophobicContact CG-CG 3.99Å; M2926-Q3215 PolarHBondContact O-OE1 2.69Å; M2926-Q3215 HydrophobicContact SD-CG 4.1Å; L2929-Q3215 HydrophobicContact CD2-CB 4.3Å; F3211-Q3215 HydrophobicContact CD1-CG 4.31Å; F3211-Q3215 HydrophobicContact CD2-CG 4.39Å; F3211-Q3215 HydrophobicContact CE1-CG 3.83Å; F3211-Q3215 HydrophobicContact CE2-CG 3.95Å; F3211-Q3215 HydrophobicContact CZ-CG 3.63Å; F3211-Q3215 VanDerWaalsContact O-CG 3.29Å; F3211-Q3215 WeakPolarHBondContact O-CG 3.38Å; F3211-Q3215 PolarHBondContact O-N 2.87Å; F3212-Q3215 PolarHBondContact O-N 3.16Å; Q3215-S3218 PolarHBondContact O-N 2.8Å; Q3215-S3218 PolarHBondContact O-OG 2.92Å; Q3215-G3219 PolarHBondContact O-N 3.44Å |
| 3216 | F | 75.8 | Confident | 73.8 | Confident | 122 Ų | 122 | 85 Ų | 85 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 179.5 | -173.6 | -110.4 | 0 | 0 | 0 | 112.3 | F3212 D3213 G3219 R3220 | F3212-F3216 WeakPolarHBondContact O-CB 3.36Å; F3212-F3216 PolarHBondContact O-N 2.88Å; D3213-F3216 PolarHBondContact O-N 2.86Å; F3216-G3219 PolarHBondContact O-N 2.88Å; F3216-R3220 HydrophobicContact CD1-CG 4.2Å; F3216-R3220 HydrophobicContact CD2-CG 4.45Å; F3216-R3220 HydrophobicContact CE1-CG 3.95Å; F3216-R3220 HydrophobicContact CE2-CG 4.17Å; F3216-R3220 HydrophobicContact CG-CG 4.47Å; F3216-R3220 VanDerWaalsContact CZ-CD 3.44Å; F3216-R3220 HydrophobicContact CZ-CG 3.93Å; F3216-R3220 WeakPolarHBondContact O-CB 3.34Å; F3216-R3220 WeakPolarHBondContact O-CG 3.46Å; F3216-R3220 PolarHBondContact O-N 3.14Å |
| 3217 | R | 74.1 | Confident | 71.7 | Confident | 150 Ų | 150 | 86.1 Ų | 86.1 | 57% | 0.566 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 171.1 | -75.6 | -177.8 | -175.9 | 144.4 | 15.5 | 110.8 | D3213 G3219 R3220 M3221 | D3213-R3217 VanDerWaalsContact CG-NH2 3.29Å; D3213-R3217 VanDerWaalsContact O-CB 3.28Å; D3213-R3217 WeakPolarHBondContact O-CB 3.11Å; D3213-R3217 VanDerWaalsContact O-CG 3.28Å; D3213-R3217 WeakPolarHBondContact O-CG 3.36Å; D3213-R3217 PolarHBondContact O-N 3.1Å; D3213-R3217 IonicContact OD1-CZ 3.31Å; D3213-R3217 IonicContact OD1-NE 3.24Å; D3213-R3217 PolarHBondContact OD1-NE 3.41Å; D3213-R3217 IonicContact OD1-NH1 3.48Å; D3213-R3217 IonicContact OD1-NH2 2.8Å; D3213-R3217 PolarHBondContact OD1-NH2 3.06Å; D3213-R3217 IonicContact OD2-CZ 2.8Å; D3213-R3217 IonicContact OD2-NE 2.79Å; D3213-R3217 PolarHBondContact OD2-NE 2.82Å; D3213-R3217 IonicContact OD2-NH1 3.58Å; D3213-R3217 PolarHBondContact OD2-NH1 2.87Å; D3213-R3217 IonicContact OD2-NH2 3.99Å; D3213-R3217 PolarHBondContact OD2-NH2 3.06Å; R3217-G3219 VanDerWaalsContact C-N 3.27Å; R3217-G3219 PolarHBondContact O-N 2.9Å; R3217-R3220 PolarHBondContact O-N 3.41Å; R3217-M3221 WeakPolarHBondContact O-CB 3.46Å; R3217-M3221 WeakPolarHBondContact O-CG 3.34Å; R3217-M3221 PolarHBondContact O-N 2.83Å |
| 3218 | S | 70.6 | Confident | 69.3 | Low | 43 Ų | 43 | 85.4 Ų | 85.4 | 30% | 0.301 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 177 | 81.6 | 0 | 0 | 0 | 0 | 112.1 | Q3214 Q3215 I3222 | Q3214-S3218 VanDerWaalsContact O-CB 3.3Å; Q3214-S3218 WeakPolarHBondContact O-CB 3.31Å; Q3214-S3218 PolarHBondContact O-N 3.02Å; Q3214-S3218 PolarHBondContact O-OG 2.82Å; Q3215-S3218 PolarHBondContact O-N 2.8Å; Q3215-S3218 PolarHBondContact O-OG 2.92Å; S3218-I3222 WeakPolarHBondContact O-CD1 3.48Å; S3218-I3222 VanDerWaalsContact O-CG1 3.3Å; S3218-I3222 WeakPolarHBondContact O-CG1 3.34Å |
| 3219 | G | 68.2 | Low | 66.8 | Low | 5 Ų | 5 | 88.9 Ų | 88.9 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -76.4 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q3215 F3216 R3217 M3221 I3222 L3223 | Q3215-G3219 PolarHBondContact O-N 3.44Å; F3216-G3219 PolarHBondContact O-N 2.88Å; R3217-G3219 VanDerWaalsContact C-N 3.27Å; R3217-G3219 PolarHBondContact O-N 2.9Å; G3219-M3221 VanDerWaalsContact C-N 3.35Å; G3219-M3221 PolarHBondContact O-N 2.85Å; G3219-I3222 WeakPolarHBondContact O-CB 3.25Å; G3219-I3222 PolarHBondContact O-N 2.75Å; G3219-L3223 PolarHBondContact O-N 2.64Å |
| 3220 | R | 66.4 | Low | 64.5 | Low | 129 Ų | 129 | 87.2 Ų | 87.2 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 176.7 | -79.4 | -168.5 | 79.6 | 168 | 10.2 | 112.2 | F3216 R3217 I3222 L3223 F3224 | F3216-R3220 HydrophobicContact CD1-CG 4.2Å; F3216-R3220 HydrophobicContact CD2-CG 4.45Å; F3216-R3220 HydrophobicContact CE1-CG 3.95Å; F3216-R3220 HydrophobicContact CE2-CG 4.17Å; F3216-R3220 HydrophobicContact CG-CG 4.47Å; F3216-R3220 VanDerWaalsContact CZ-CD 3.44Å; F3216-R3220 HydrophobicContact CZ-CG 3.93Å; F3216-R3220 WeakPolarHBondContact O-CB 3.34Å; F3216-R3220 WeakPolarHBondContact O-CG 3.46Å; F3216-R3220 PolarHBondContact O-N 3.14Å; R3217-R3220 PolarHBondContact O-N 3.41Å; R3220-I3222 PolarHBondContact O-N 2.69Å; R3220-I3222 VanDerWaalsContact O-N 3.13Å; R3220-L3223 PolarHBondContact O-N 2.74Å; R3220-F3224 HydrophobicContact CB-CD2 4.01Å; R3220-F3224 HydrophobicContact CG-CD2 3.86Å; R3220-F3224 HydrophobicContact CG-CE2 4.01Å; R3220-F3224 PolarHBondContact O-N 2.79Å |
| 3221 | M | 57.6 | Low | 62 | Low | 124 Ų | 124 | 88.7 Ų | 88.7 | 61% | 0.611 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.2 | -19.3 | 174.4 | -71.8 | -58.3 | -66.3 | 0 | 0 | 112.4 | R3217 G3219 H3225 | R3217-M3221 WeakPolarHBondContact O-CB 3.46Å; R3217-M3221 WeakPolarHBondContact O-CG 3.34Å; R3217-M3221 PolarHBondContact O-N 2.83Å; G3219-M3221 VanDerWaalsContact C-N 3.35Å; G3219-M3221 PolarHBondContact O-N 2.85Å; M3221-H3225 WeakPolarHBondContact O-CB 3.38Å |
| 3222 | I | 56.4 | Low | 59.4 | Low | 19 Ų | 19 | 91.3 Ų | 91.3 | 10% | 0.097 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -92 | -45.5 | 176.7 | -60.2 | 158.9 | 0 | 0 | 0 | 111 | K2930 L2933 K2937 S3218 G3219 R3220 | K2930-I3222 HydrophobicContact CB-CD1 3.68Å; K2930-I3222 HydrophobicContact CD-CD1 4.13Å; K2930-I3222 HydrophobicContact CG-CD1 3.48Å; K2930-I3222 VanDerWaalsContact CG-CD1 3.48Å; K2930-I3222 HydrophobicContact CG-CG1 4.48Å; L2933-I3222 HydrophobicContact CB-CD1 4.46Å; L2933-I3222 HydrophobicContact CB-CG2 4.13Å; K2937-I3222 HydrophobicContact CD-CG2 4.15Å; K2937-I3222 WeakPolarHBondContact CD-O 3.23Å; S3218-I3222 WeakPolarHBondContact O-CD1 3.48Å; S3218-I3222 VanDerWaalsContact O-CG1 3.3Å; S3218-I3222 WeakPolarHBondContact O-CG1 3.34Å; G3219-I3222 WeakPolarHBondContact O-CB 3.25Å; G3219-I3222 PolarHBondContact O-N 2.75Å; R3220-I3222 PolarHBondContact O-N 2.69Å; R3220-I3222 VanDerWaalsContact O-N 3.13Å |
| 3223 | L | 54.6 | Low | 56.7 | Low | 86 Ų | 86 | 89.9 Ų | 89.9 | 45% | 0.45 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.6 | -27.9 | -175.8 | -69 | 175 | 0 | 0 | 0 | 114.5 | L2933 G3219 R3220 | L2933-L3223 HydrophobicContact CD1-CD1 4.44Å; L2933-L3223 HydrophobicContact CD2-CD1 4.08Å; L2933-L3223 HydrophobicContact CD2-CD2 4.4Å; L2933-L3223 HydrophobicContact CD2-CG 4.4Å; G3219-L3223 PolarHBondContact O-N 2.64Å; R3220-L3223 PolarHBondContact O-N 2.74Å |
| 3224 | F | 54.2 | Low | 54 | Low | 104 Ų | 104 | 95.1 Ų | 95.1 | 46% | 0.456 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -121.8 | 11.7 | -170.1 | -59.5 | -73.9 | 0 | 0 | 0 | 114.7 | R3220 E3226 L3227 | R3220-F3224 HydrophobicContact CB-CD2 4.01Å; R3220-F3224 HydrophobicContact CG-CD2 3.86Å; R3220-F3224 HydrophobicContact CG-CE2 4.01Å; R3220-F3224 PolarHBondContact O-N 2.79Å; F3224-E3226 PolarHBondContact O-N 3.21Å; F3224-L3227 PolarHBondContact O-N 2.87Å |
| 3225 | H | 49.3 | Very low | 51.5 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -25.6 | -176 | -168.1 | -91.5 | 0 | 0 | 0 | 113.9 | M3221 | M3221-H3225 WeakPolarHBondContact O-CB 3.38Š|
| 3226 | E | 48.1 | Very low | 49.1 | Very low | 166 Ų | 166 | 107.5 Ų | 107.5 | 78% | 0.776 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -17.7 | 179.7 | -69.8 | -178.9 | 173.4 | 0 | 0 | 114.7 | F3224 | F3224-E3226 PolarHBondContact O-N 3.21Š|
| 3227 | L | 45.7 | Very low | 46.9 | Very low | 115 Ų | 115 | 106.6 Ų | 106.6 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8 | 179.4 | -84.4 | 102.1 | 0 | 0 | 0 | 114.2 | F3224 | F3224-L3227 PolarHBondContact O-N 2.87Š|
| 3228 | G | 40.2 | Very low | 44.9 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -88.6 | -14.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 3229 | S | 39.7 | Very low | 43.3 | Very low | 111 Ų | 111 | 108.4 Ų | 108.4 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -108.5 | 2.8 | -166.6 | -161.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 3230 | A | 41 | Very low | 41.8 | Very low | 97 Ų | 97 | 115.7 Ų | 115.7 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -105.5 | 3.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 3231 | S | 36.4 | Very low | 40.3 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | -98.9 | 85.3 | 164.7 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3232 | G | 31.5 | Very low | 39.1 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | -66.3 | 131.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 3233 | G | 29.6 | Very low | 37.7 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 114.7 | 64.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3234 | L | 29.1 | Very low | 36.4 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | -172 | 77.2 | 128 | -100.1 | 143.2 | 0 | 0 | 0 | 108 | R3236 | L3234-R3236 VanDerWaalsContact C-N 3.32Å; L3234-R3236 HydrophobicContact CD2-CG 4.39Å; L3234-R3236 PolarHBondContact O-N 2.79Å; L3234-R3236 VanDerWaalsContact O-N 3.16Å | |||
| 3235 | Q | 31.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 120 Ų | 120 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -66.5 | 101.3 | 149.8 | -81.1 | -179.9 | -5.6 | 0 | 0 | 105.9 | S3237 | Q3235-S3237 PolarHBondContact O-N 2.93Š| ||
| 3236 | R | 31.4 | Very low | 34.2 | Very low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 101.3 | 151.1 | -86.6 | -174.2 | 173 | 171.2 | -2 | 106.4 | L3234 D3238 | L3234-R3236 VanDerWaalsContact C-N 3.32Å; L3234-R3236 HydrophobicContact CD2-CG 4.39Å; L3234-R3236 PolarHBondContact O-N 2.79Å; L3234-R3236 VanDerWaalsContact O-N 3.16Å; R3236-D3238 PolarHBondContact O-N 2.92Å | ||
| 3237 | S | 28.3 | Very low | 33.2 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -67.4 | 96.1 | 159.1 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | Q3235 | Q3235-S3237 PolarHBondContact O-N 2.93Š| ||
| 3238 | D | 32.5 | Very low | 32.4 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -98.6 | 78.5 | 162.7 | -72.2 | -22.8 | 0 | 0 | 0 | 107.3 | R3236 | R3236-D3238 PolarHBondContact O-N 2.92Š| ||
| 3239 | A | 37.1 | Very low | 31.8 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -143.8 | 73.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3240 | D | 37 | Very low | 31.1 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -167.9 | 99 | 156.3 | -86.2 | -31.7 | 0 | 0 | 0 | 104.5 | ||||
| 3241 | A | 35.5 | Very low | 30.6 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 59.6 | 86.7 | 100.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3242 | D | 32.3 | Very low | 30.2 | Very low | 170 Ų | 170 | 129 Ų | 129 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | 178.1 | 155.9 | 103.3 | -150.1 | -4.6 | 0 | 0 | 0 | 110.6 | G3244 | D3242-G3244 PolarHBondContact O-N 2.9Š| |||
| 3243 | G | 26.8 | Very low | 30.7 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -58.7 | 125.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3244 | G | 27.7 | Very low | 31.6 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -163.5 | 100.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D3242 R3246 | D3242-G3244 PolarHBondContact O-N 2.9Å; G3244-R3246 VanDerWaalsContact C-N 3.32Å; G3244-R3246 PolarHBondContact O-N 2.78Å | ||
| 3245 | V | 28.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -60.6 | 93.6 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | S3247 | V3245-S3247 PolarHBondContact O-N 2.84Š| ||
| 3246 | R | 28.7 | Very low | 35.2 | Very low | 245 Ų | 245 | 121.5 Ų | 121.5 | 93% | 0.925 | 71% | 0.712 | S | S | * | * | trans | -73 | 91.3 | 156.4 | -85.7 | -176.2 | 168.6 | 173.3 | -2.8 | 105.8 | G3244 E3248 | G3244-R3246 VanDerWaalsContact C-N 3.32Å; G3244-R3246 PolarHBondContact O-N 2.78Å; R3246-E3248 PolarHBondContact O-N 2.81Å | ||
| 3247 | S | 26.4 | Very low | 37.6 | Very low | 88 Ų | 88 | 111.8 Ų | 111.8 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | trans | -40.9 | 128 | 166.7 | -49.7 | 0 | 0 | 0 | 0 | 108.5 | V3245 S3249 | V3245-S3247 PolarHBondContact O-N 2.84Å; S3247-S3249 PolarHBondContact O-N 2.93Å | ||
| 3248 | E | 28.5 | Very low | 40 | Very low | 190 Ų | 190 | 110.3 Ų | 110.3 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | -47.9 | 97.6 | 153.4 | -71.8 | 175.3 | 148.2 | 0 | 0 | 105.5 | R3246 E3250 | R3246-E3248 PolarHBondContact O-N 2.81Å; E3248-E3250 VanDerWaalsContact C-N 3.34Å; E3248-E3250 PolarHBondContact O-N 2.86Å | ||
| 3249 | S | 27.3 | Very low | 42.2 | Very low | 109 Ų | 109 | 108.4 Ų | 108.4 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | -63.2 | 107.6 | 174.3 | 50.6 | 0 | 0 | 0 | 0 | 104.3 | S3247 | S3247-S3249 PolarHBondContact O-N 2.93Š| ||
| 3250 | E | 25.4 | Very low | 44.4 | Very low | 138 Ų | 138 | 104.5 Ų | 104.5 | 65% | 0.645 | 61% | 0.61 | S | S | * | * | trans | -39 | 151.7 | 168.9 | -70.3 | -155.7 | 146.1 | 0 | 0 | 109.9 | E3248 S3252 | E3248-E3250 VanDerWaalsContact C-N 3.34Å; E3248-E3250 PolarHBondContact O-N 2.86Å; E3250-S3252 PolarHBondContact O-N 3.31Å | ||
| 3251 | P | 29.6 | Very low | 46.5 | Very low | 133 Ų | 133 | 97 Ų | 97 | 86% | 0.864 | 57% | 0.571 | S | S | * | * | trans | -68.3 | 65.1 | 169.3 | 32.1 | -33.9 | 0 | 0 | 0 | 108.9 | S3253 | P3251-S3253 PolarHBondContact O-N 3.43Š| ||
| 3252 | S | 30 | Very low | 48.6 | Very low | 78 Ų | 78 | 96.5 Ų | 96.5 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | trans | -76.3 | 77.1 | 173.5 | 64.4 | 0 | 0 | 0 | 0 | 107.1 | E3250 Q3254 | E3250-S3252 PolarHBondContact O-N 3.31Å; S3252-Q3254 PolarHBondContact O-N 3.03Å | ||
| 3253 | S | 41 | Very low | 50.7 | Low | 65 Ų | 65 | 90.9 Ų | 90.9 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | trans | 49.8 | 43.2 | 154.9 | -53.5 | 0 | 0 | 0 | 0 | 116.5 | P3251 S3255 R3443 | P3251-S3253 PolarHBondContact O-N 3.43Å; S3253-S3255 PolarHBondContact O-N 3.46Å; S3253-R3443 PolarHBondContact O-NH1 3.3Å; S3253-R3443 PolarHBondContact O-NH2 2.76Å | ||
| 3254 | Q | 49.3 | Very low | 53.1 | Low | 177 Ų | 177 | 87.7 Ų | 87.7 | 83% | 0.827 | 48% | 0.484 | S | S | * | . | trans | -57.5 | 133.3 | 161.4 | -74.7 | -178.2 | -7.4 | 0 | 0 | 108.6 | S3252 C3256 | S3252-Q3254 PolarHBondContact O-N 3.03Å; Q3254-C3256 PolarHBondContact O-N 2.93Å | ||
| 3255 | S | 61.2 | Low | 55.4 | Low | 30 Ų | 30 | 86.7 Ų | 86.7 | 21% | 0.21 | 46% | 0.464 | C | S | . | . | trans | -57.7 | 109.8 | -175.7 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | S3253 W3257 H3258 | S3253-S3255 PolarHBondContact O-N 3.46Å; S3255-W3257 PolarHBondContact O-N 3.35Å; S3255-W3257 VanDerWaalsContact O-N 3.1Å; S3255-H3258 WeakPolarHBondContact O-CB 3.34Å; S3255-H3258 PolarHBondContact O-N 2.77Å; S3255-H3258 VanDerWaalsContact O-N 3.1Å | ||
| 3256 | C | 75.3 | Confident | 57.5 | Low | 47 Ų | 47 | 85 Ų | 85 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.1 | -176 | 55.7 | 0 | 0 | 0 | 0 | 113 | Q3254 P3260 A3570 | Q3254-C3256 PolarHBondContact O-N 2.93Å; C3256-P3260 VanDerWaalsContact O-CD 3.28Å; C3256-P3260 WeakPolarHBondContact O-CD 3.45Å; C3256-A3570 HydrophobicContact CB-CB 3.89Å; C3256-A3570 WeakPolarHBondContact O-CB 3.18Å |
| 3257 | W | 81.5 | Confident | 59.5 | Low | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.008 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -15.3 | 179.7 | -69.5 | 99.8 | 0 | 0 | 0 | 114.8 | S3255 P3260 L3261 L3284 N3325 A3327 V3340 D3566 S3569 A3570 V3573 | S3255-W3257 PolarHBondContact O-N 3.35Å; S3255-W3257 VanDerWaalsContact O-N 3.1Å; W3257-P3260 WeakPolarHBondContact O-CD 3.18Å; W3257-L3261 HydrophobicContact CB-CD1 4.26Å; W3257-L3261 WeakPolarHBondContact O-CB 3.25Å; W3257-L3261 WeakPolarHBondContact O-CD1 3.17Å; W3257-L3261 VanDerWaalsContact O-CG 3.3Å; W3257-L3261 WeakPolarHBondContact O-CG 3.44Å; W3257-L3261 PolarHBondContact O-N 3.44Å; W3257-L3261 VanDerWaalsContact O-N 3.09Å; W3257-L3284 HydrophobicContact CE3-CB 4.47Å; W3257-L3284 HydrophobicContact CZ3-CB 4.25Å; W3257-N3325 VanDerWaalsContact CE2-ND2 3.31Å; W3257-N3325 HydrophobicContact CZ2-CB 4.08Å; W3257-N3325 WeakPolarHBondContact CZ2-ND2 3.13Å; W3257-N3325 PolarHBondContact NE1-ND2 3.4Å; W3257-A3327 HydrophobicContact CB-CB 3.89Å; W3257-A3327 HydrophobicContact CD2-CB 3.56Å; W3257-A3327 HydrophobicContact CE3-CB 3.68Å; W3257-A3327 HydrophobicContact CG-CB 3.65Å; W3257-A3327 HydrophobicContact CZ3-CB 4.44Å; W3257-V3340 HydrophobicContact CG-CG2 4.34Å; W3257-D3566 PolarHBondContact NE1-OD2 3.4Å; W3257-D3566 VanDerWaalsContact NE1-OD2 3.16Å; W3257-S3569 WeakPolarHBondContact CZ2-OG 3.47Å; W3257-A3570 HydrophobicContact CD2-CB 4.16Å; W3257-A3570 HydrophobicContact CE3-CB 4.35Å; W3257-A3570 HydrophobicContact CZ2-CB 4.5Å; W3257-V3573 HydrophobicContact CZ3-CG2 4.4Å |
| 3258 | H | 77.4 | Confident | 61.5 | Low | 72 Ų | 72 | 72.8 Ų | 72.8 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | -175.9 | -176.3 | 64.9 | 0 | 0 | 0 | 112.5 | S3255 L3261 E3262 | S3255-H3258 WeakPolarHBondContact O-CB 3.34Å; S3255-H3258 PolarHBondContact O-N 2.77Å; S3255-H3258 VanDerWaalsContact O-N 3.1Å; H3258-L3261 PolarHBondContact O-N 3.43Å; H3258-E3262 WeakPolarHBondContact O-CB 3.36Å; H3258-E3262 PolarHBondContact O-N 2.74Å |
| 3259 | Q | 79.9 | Confident | 63.2 | Low | 109 Ų | 109 | 69.4 Ų | 69.4 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 179.1 | -68.8 | 178.3 | -1.6 | 0 | 0 | 113.1 | L3261 E3262 M3263 | Q3259-L3261 PolarHBondContact O-N 3.37Å; Q3259-E3262 PolarHBondContact O-N 2.93Å; Q3259-M3263 WeakPolarHBondContact O-CB 3.38Å; Q3259-M3263 PolarHBondContact O-N 3.48Å |
| 3260 | P | 82.4 | Confident | 64.9 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 172.3 | -23.1 | 27.1 | 0 | 0 | 0 | 113.9 | C3256 W3257 M3263 F3264 L3284 A3570 V3573 Q3574 L3577 | C3256-P3260 VanDerWaalsContact O-CD 3.28Å; C3256-P3260 WeakPolarHBondContact O-CD 3.45Å; W3257-P3260 WeakPolarHBondContact O-CD 3.18Å; P3260-M3263 PolarHBondContact O-N 3.41Å; P3260-F3264 VanDerWaalsContact O-CB 3.3Å; P3260-F3264 WeakPolarHBondContact O-CB 3.5Å; P3260-F3264 PolarHBondContact O-N 3.46Å; P3260-L3284 HydrophobicContact CB-CD1 3.89Å; P3260-A3570 HydrophobicContact CG-CB 4.25Å; P3260-V3573 HydrophobicContact CB-CG1 4.37Å; P3260-Q3574 HydrophobicContact CG-CB 4.27Å; P3260-L3577 WeakPolarHBondContact O-CD1 3.39Å |
| 3261 | L | 81.2 | Confident | 66.4 | Low | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | -179.2 | -75.5 | 166.4 | 0 | 0 | 0 | 111.8 | W3257 H3258 Q3259 F3264 T3265 L3284 A3327 T3338 | W3257-L3261 HydrophobicContact CB-CD1 4.26Å; W3257-L3261 WeakPolarHBondContact O-CB 3.25Å; W3257-L3261 WeakPolarHBondContact O-CD1 3.17Å; W3257-L3261 VanDerWaalsContact O-CG 3.3Å; W3257-L3261 WeakPolarHBondContact O-CG 3.44Å; W3257-L3261 PolarHBondContact O-N 3.44Å; W3257-L3261 VanDerWaalsContact O-N 3.09Å; H3258-L3261 PolarHBondContact O-N 3.43Å; Q3259-L3261 PolarHBondContact O-N 3.37Å; L3261-F3264 PolarHBondContact O-N 3.26Å; L3261-T3265 WeakPolarHBondContact O-CB 3.22Å; L3261-T3265 PolarHBondContact O-N 2.85Å; L3261-T3265 PolarHBondContact O-OG1 2.77Å; L3261-L3284 HydrophobicContact CB-CD1 4.48Å; L3261-L3284 HydrophobicContact CD2-CB 4.22Å; L3261-L3284 HydrophobicContact CD2-CD1 3.66Å; L3261-L3284 HydrophobicContact CD2-CG 3.9Å; L3261-L3284 HydrophobicContact CG-CD1 3.96Å; L3261-A3327 HydrophobicContact CD1-CB 4.29Å; L3261-T3338 HydrophobicContact CD1-CG2 3.56Å |
| 3262 | E | 79.4 | Confident | 67.5 | Low | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.3 | -165.7 | -161.7 | 169.5 | 0 | 0 | 111.3 | H3258 Q3259 F3264 T3265 K3266 | H3258-E3262 WeakPolarHBondContact O-CB 3.36Å; H3258-E3262 PolarHBondContact O-N 2.74Å; Q3259-E3262 PolarHBondContact O-N 2.93Å; E3262-F3264 VanDerWaalsContact C-N 3.3Å; E3262-F3264 PolarHBondContact O-N 3.43Å; E3262-T3265 PolarHBondContact O-N 2.99Å; E3262-K3266 VanDerWaalsContact CD-NZ 3.29Å; E3262-K3266 WeakPolarHBondContact O-CB 3.32Å; E3262-K3266 WeakPolarHBondContact O-CG 3.36Å; E3262-K3266 PolarHBondContact O-N 3.41Å; E3262-K3266 WeakPolarHBondContact OE1-CE 3.3Å; E3262-K3266 IonicContact OE1-NZ 3.62Å; E3262-K3266 PolarHBondContact OE1-NZ 3.29Å; E3262-K3266 IonicContact OE2-NZ 2.74Å |
| 3263 | M | 76.7 | Confident | 68.2 | Low | 51 Ų | 51 | 69.9 Ų | 69.9 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.8 | -174.5 | 171.8 | -172.7 | 0 | 0 | 111.5 | Q3259 P3260 K3266 L3267 L3577 E3578 | Q3259-M3263 WeakPolarHBondContact O-CB 3.38Å; Q3259-M3263 PolarHBondContact O-N 3.48Å; P3260-M3263 PolarHBondContact O-N 3.41Å; M3263-K3266 PolarHBondContact O-N 2.8Å; M3263-L3267 HydrophobicContact CG-CD1 4.49Å; M3263-L3267 WeakPolarHBondContact O-CG 3.45Å; M3263-L3267 PolarHBondContact O-N 3.05Å; M3263-L3577 HydrophobicContact CB-CD1 4.46Å; M3263-L3577 HydrophobicContact CE-CB 4.14Å; M3263-L3577 HydrophobicContact CG-CB 4.31Å; M3263-L3577 HydrophobicContact SD-CB 3.79Å; M3263-E3578 HydrophobicContact CE-CB 4.25Å; M3263-E3578 HydrophobicContact CE-CG 3.77Å; M3263-E3578 HydrophobicContact SD-CG 4.12Å |
| 3264 | F | 77.7 | Confident | 68.6 | Low | 12 Ų | 12 | 69.4 Ų | 69.4 | 5% | 0.053 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 178 | -163.1 | -115 | 0 | 0 | 0 | 112.1 | W3150 F3176 V3178 P3260 L3261 E3262 K3266 L3267 Q3268 L3282 L3284 L3577 | W3150-F3264 HydrophobicContact CH2-CE2 4.28Å; W3150-F3264 AromaticContact CZ3-CE2 3.82Å; W3150-F3264 HydrophobicContact CZ3-CE2 3.82Å; W3150-F3264 HydrophobicContact CZ3-CZ 4.37Å; F3176-F3264 AromaticContact CD1-CE1 3.85Å; F3176-F3264 HydrophobicContact CD1-CE1 3.85Å; F3176-F3264 AromaticContact CD1-CZ 3.8Å; F3176-F3264 HydrophobicContact CD1-CZ 3.8Å; F3176-F3264 AromaticContact CE1-CE1 3.67Å; F3176-F3264 HydrophobicContact CE1-CE1 3.67Å; F3176-F3264 HydrophobicContact CE1-CE2 4.16Å; F3176-F3264 AromaticContact CE1-CZ 3.13Å; F3176-F3264 HydrophobicContact CE1-CZ 3.13Å; F3176-F3264 AromaticContact CZ-CZ 3.76Å; F3176-F3264 HydrophobicContact CZ-CZ 3.76Å; V3178-F3264 HydrophobicContact CG2-CE1 4.49Å; V3178-F3264 HydrophobicContact CG2-CE2 3.91Å; V3178-F3264 HydrophobicContact CG2-CZ 3.92Å; P3260-F3264 VanDerWaalsContact O-CB 3.3Å; P3260-F3264 WeakPolarHBondContact O-CB 3.5Å; P3260-F3264 PolarHBondContact O-N 3.46Å; L3261-F3264 PolarHBondContact O-N 3.26Å; E3262-F3264 VanDerWaalsContact C-N 3.3Å; E3262-F3264 PolarHBondContact O-N 3.43Å; F3264-K3266 PolarHBondContact O-N 2.79Å; F3264-L3267 WeakPolarHBondContact O-CB 3.34Å; F3264-L3267 PolarHBondContact O-N 2.91Å; F3264-Q3268 PolarHBondContact O-N 2.93Å; F3264-L3282 HydrophobicContact CD1-CB 4.39Å; F3264-L3282 HydrophobicContact CD1-CD2 3.85Å; F3264-L3282 HydrophobicContact CE1-CB 4.46Å; F3264-L3282 HydrophobicContact CE1-CD2 3.44Å; F3264-L3282 VanDerWaalsContact CE1-CD2 3.44Å; F3264-L3282 HydrophobicContact CZ-CD2 4.5Å; F3264-L3284 HydrophobicContact CB-CD1 3.93Å; F3264-L3284 HydrophobicContact CB-CD2 4.37Å; F3264-L3284 HydrophobicContact CD1-CD2 4.03Å; F3264-L3284 HydrophobicContact CD1-CG 4.36Å; F3264-L3284 HydrophobicContact CD2-CD2 4.19Å; F3264-L3284 HydrophobicContact CG-CD1 4.32Å; F3264-L3284 HydrophobicContact CG-CD2 3.9Å; F3264-L3284 HydrophobicContact CG-CG 4.39Å; F3264-L3577 HydrophobicContact CB-CD1 4.04Å; F3264-L3577 HydrophobicContact CD2-CD1 4.2Å; F3264-L3577 HydrophobicContact CD2-CD2 3.64Å; F3264-L3577 HydrophobicContact CE2-CD2 4.2Å |
| 3265 | T | 74.9 | Confident | 68.3 | Low | 46 Ų | 46 | 63.8 Ų | 63.8 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | L3261 E3262 L3267 Q3268 L3269 | L3261-T3265 WeakPolarHBondContact O-CB 3.22Å; L3261-T3265 PolarHBondContact O-N 2.85Å; L3261-T3265 PolarHBondContact O-OG1 2.77Å; E3262-T3265 PolarHBondContact O-N 2.99Å; T3265-L3267 PolarHBondContact O-N 2.83Å; T3265-Q3268 WeakPolarHBondContact O-CB 3.5Å; T3265-Q3268 PolarHBondContact O-N 2.8Å; T3265-L3269 HydrophobicContact CG2-CD1 4.44Å; T3265-L3269 WeakPolarHBondContact O-CG 3.4Å; T3265-L3269 PolarHBondContact O-N 2.78Å |
| 3266 | K | 74.6 | Confident | 67.3 | Low | 103 Ų | 103 | 68.5 Ų | 68.5 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 173.5 | -74.7 | 172 | -176.6 | 166.9 | 0 | 112.4 | E3262 M3263 F3264 L3269 K3270 | E3262-K3266 VanDerWaalsContact CD-NZ 3.29Å; E3262-K3266 WeakPolarHBondContact O-CB 3.32Å; E3262-K3266 WeakPolarHBondContact O-CG 3.36Å; E3262-K3266 PolarHBondContact O-N 3.41Å; E3262-K3266 WeakPolarHBondContact OE1-CE 3.3Å; E3262-K3266 IonicContact OE1-NZ 3.62Å; E3262-K3266 PolarHBondContact OE1-NZ 3.29Å; E3262-K3266 IonicContact OE2-NZ 2.74Å; M3263-K3266 PolarHBondContact O-N 2.8Å; F3264-K3266 PolarHBondContact O-N 2.79Å; K3266-L3269 PolarHBondContact O-N 2.89Å; K3266-K3270 WeakPolarHBondContact O-CG 3.39Å; K3266-K3270 PolarHBondContact O-N 2.96Å |
| 3267 | L | 69.6 | Low | 65.8 | Low | 37 Ų | 37 | 70 Ų | 70 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175 | -73.2 | 169 | 0 | 0 | 0 | 111.1 | M3263 F3264 T3265 K3270 C3271 L3577 | M3263-L3267 HydrophobicContact CG-CD1 4.49Å; M3263-L3267 WeakPolarHBondContact O-CG 3.45Å; M3263-L3267 PolarHBondContact O-N 3.05Å; F3264-L3267 WeakPolarHBondContact O-CB 3.34Å; F3264-L3267 PolarHBondContact O-N 2.91Å; T3265-L3267 PolarHBondContact O-N 2.83Å; L3267-K3270 PolarHBondContact O-N 2.88Å; L3267-C3271 WeakPolarHBondContact O-CB 3.41Å; L3267-C3271 PolarHBondContact O-N 2.86Å; L3267-C3271 VanDerWaalsContact O-N 3.1Å; L3267-C3271 PolarHBondContact O-SG 2.84Å; L3267-C3271 VanDerWaalsContact O-SG 3.33Å; L3267-L3577 HydrophobicContact CD1-CB 4.31Å; L3267-L3577 HydrophobicContact CD1-CD2 4.07Å |
| 3268 | Q | 67.8 | Low | 64.1 | Low | 39 Ų | 39 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 174.4 | -171 | -172.2 | -15.4 | 0 | 0 | 112.1 | F3264 T3265 K3270 C3271 S3272 L3278 | F3264-Q3268 PolarHBondContact O-N 2.93Å; T3265-Q3268 WeakPolarHBondContact O-CB 3.5Å; T3265-Q3268 PolarHBondContact O-N 2.8Å; Q3268-K3270 VanDerWaalsContact C-N 3.34Å; Q3268-K3270 PolarHBondContact O-N 2.91Å; Q3268-C3271 CarbonylContact O-C 3.53Å; Q3268-C3271 PolarHBondContact O-N 3.07Å; Q3268-C3271 VanDerWaalsContact O-N 3.17Å; Q3268-S3272 PolarHBondContact O-N 3.43Å; Q3268-S3272 VanDerWaalsContact O-N 3.16Å; Q3268-L3278 HydrophobicContact CG-CB 4.09Å; Q3268-L3278 HydrophobicContact CG-CD1 3.6Å; Q3268-L3278 HydrophobicContact CG-CD2 4Å; Q3268-L3278 HydrophobicContact CG-CG 4.1Å; Q3268-L3278 PolarHBondContact NE2-O 3.41Å |
| 3269 | L | 64.5 | Low | 62.7 | Low | 119 Ų | 119 | 78.6 Ų | 78.6 | 62% | 0.623 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.7 | -35.6 | 178.4 | -70.9 | 171.3 | 0 | 0 | 0 | 112.5 | T3265 K3266 C3271 S3272 | T3265-L3269 HydrophobicContact CG2-CD1 4.44Å; T3265-L3269 WeakPolarHBondContact O-CG 3.4Å; T3265-L3269 PolarHBondContact O-N 2.78Å; K3266-L3269 PolarHBondContact O-N 2.89Å; L3269-C3271 VanDerWaalsContact C-N 3.31Å; L3269-S3272 WeakPolarHBondContact O-CB 3.41Å; L3269-S3272 PolarHBondContact O-N 3.38Å; L3269-S3272 PolarHBondContact O-OG 2.81Å; L3269-S3272 VanDerWaalsContact O-OG 3.05Å |
| 3270 | K | 62.8 | Low | 61.5 | Low | 173 Ų | 173 | 74.7 Ų | 74.7 | 75% | 0.752 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.9 | -30.7 | 174.1 | -74.4 | 177.7 | 178.4 | -177.6 | 0 | 112.8 | K3266 L3267 Q3268 S3272 | K3266-K3270 WeakPolarHBondContact O-CG 3.39Å; K3266-K3270 PolarHBondContact O-N 2.96Å; L3267-K3270 PolarHBondContact O-N 2.88Å; Q3268-K3270 VanDerWaalsContact C-N 3.34Å; Q3268-K3270 PolarHBondContact O-N 2.91Å; K3270-S3272 VanDerWaalsContact C-N 3.35Å |
| 3271 | C | 58.6 | Low | 60.5 | Low | 65 Ų | 65 | 77.2 Ų | 77.2 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 3.6 | 179.6 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | L3267 Q3268 L3269 N3273 A3274 M3275 | L3267-C3271 WeakPolarHBondContact O-CB 3.41Å; L3267-C3271 PolarHBondContact O-N 2.86Å; L3267-C3271 VanDerWaalsContact O-N 3.1Å; L3267-C3271 PolarHBondContact O-SG 2.84Å; L3267-C3271 VanDerWaalsContact O-SG 3.33Å; Q3268-C3271 CarbonylContact O-C 3.53Å; Q3268-C3271 PolarHBondContact O-N 3.07Å; Q3268-C3271 VanDerWaalsContact O-N 3.17Å; L3269-C3271 VanDerWaalsContact C-N 3.31Å; C3271-N3273 PolarHBondContact O-N 2.9Å; C3271-N3273 VanDerWaalsContact O-N 3.14Å; C3271-A3274 PolarHBondContact O-N 3.04Å; C3271-A3274 VanDerWaalsContact O-N 3.09Å; C3271-M3275 PolarHBondContact O-N 2.84Å |
| 3272 | S | 51 | Low | 60.1 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.4 | -172.1 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | Q3268 L3269 K3270 A3274 | Q3268-S3272 PolarHBondContact O-N 3.43Å; Q3268-S3272 VanDerWaalsContact O-N 3.16Å; L3269-S3272 WeakPolarHBondContact O-CB 3.41Å; L3269-S3272 PolarHBondContact O-N 3.38Å; L3269-S3272 PolarHBondContact O-OG 2.81Å; L3269-S3272 VanDerWaalsContact O-OG 3.05Å; K3270-S3272 VanDerWaalsContact C-N 3.35Å; S3272-A3274 VanDerWaalsContact C-N 3.28Å; S3272-A3274 PolarHBondContact O-N 2.8Å |
| 3273 | N | 46.2 | Very low | 60.1 | Low | 163 Ų | 163 | 74.3 Ų | 74.3 | 87% | 0.872 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.4 | -178.1 | -69 | -0.8 | 0 | 0 | 0 | 113.8 | C3271 | C3271-N3273 PolarHBondContact O-N 2.9Å; C3271-N3273 VanDerWaalsContact O-N 3.14Å |
| 3274 | A | 48.6 | Very low | 60.6 | Low | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -6.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W3109 C3271 S3272 | W3109-A3274 HydrophobicContact CH2-CB 4.07Å; W3109-A3274 HydrophobicContact CZ3-CB 3.82Å; C3271-A3274 PolarHBondContact O-N 3.04Å; C3271-A3274 VanDerWaalsContact O-N 3.09Å; S3272-A3274 VanDerWaalsContact C-N 3.28Å; S3272-A3274 PolarHBondContact O-N 2.8Å |
| 3275 | M | 43.5 | Very low | 61 | Low | 60 Ų | 60 | 71.3 Ų | 71.3 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | trans | -137.9 | 84.5 | -173.4 | -59.9 | -75.9 | -115.6 | 0 | 0 | 109.9 | C3271 F3277 L3278 | C3271-M3275 PolarHBondContact O-N 2.84Å; M3275-F3277 HydrophobicContact CB-CD1 3.95Å; M3275-F3277 HydrophobicContact CB-CE1 3.68Å; M3275-F3277 HydrophobicContact CB-CE2 4.47Å; M3275-F3277 HydrophobicContact CB-CZ 3.96Å; M3275-F3277 HydrophobicContact CE-CE1 3.51Å; M3275-F3277 HydrophobicContact CE-CE2 4.31Å; M3275-F3277 HydrophobicContact CE-CZ 3.16Å; M3275-F3277 HydrophobicContact CG-CE1 3.86Å; M3275-F3277 HydrophobicContact CG-CZ 4.03Å; M3275-F3277 PolarHBondContact O-N 3.43Å; M3275-F3277 HydrophobicContact SD-CD1 4.09Å; M3275-F3277 HydrophobicContact SD-CE1 3.05Å; M3275-F3277 WeakPolarHBondContact SD-CE1 3.47Å; M3275-F3277 HydrophobicContact SD-CZ 3.42Å; M3275-F3277 WeakPolarHBondContact SD-CZ 3.41Å; M3275-L3278 HydrophobicContact CB-CD1 3.73Å; M3275-L3278 HydrophobicContact CB-CG 4.4Å | ||
| 3276 | S | 39.1 | Very low | 61.7 | Low | 128 Ų | 128 | 69.2 Ų | 69.2 | 90% | 0.895 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 1 | 178.8 | 52 | 0 | 0 | 0 | 0 | 114.8 | ||
| 3277 | F | 43.6 | Very low | 62.6 | Low | 79 Ų | 79 | 66.9 Ų | 66.9 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.8 | -174 | 60.9 | -108.6 | 0 | 0 | 0 | 115.3 | I3152 F3176 M3275 K3279 | I3152-F3277 HydrophobicContact CD1-CZ 4.14Å; I3152-F3277 HydrophobicContact CG2-CD2 4.39Å; I3152-F3277 HydrophobicContact CG2-CE2 4.02Å; I3152-F3277 HydrophobicContact CG2-CZ 4.21Å; F3176-F3277 HydrophobicContact CD2-CE2 4.15Å; F3176-F3277 HydrophobicContact CE2-CE2 4.32Å; M3275-F3277 HydrophobicContact CB-CD1 3.95Å; M3275-F3277 HydrophobicContact CB-CE1 3.68Å; M3275-F3277 HydrophobicContact CB-CE2 4.47Å; M3275-F3277 HydrophobicContact CB-CZ 3.96Å; M3275-F3277 HydrophobicContact CE-CE1 3.51Å; M3275-F3277 HydrophobicContact CE-CE2 4.31Å; M3275-F3277 HydrophobicContact CE-CZ 3.16Å; M3275-F3277 HydrophobicContact CG-CE1 3.86Å; M3275-F3277 HydrophobicContact CG-CZ 4.03Å; M3275-F3277 PolarHBondContact O-N 3.43Å; M3275-F3277 HydrophobicContact SD-CD1 4.09Å; M3275-F3277 HydrophobicContact SD-CE1 3.05Å; M3275-F3277 WeakPolarHBondContact SD-CE1 3.47Å; M3275-F3277 HydrophobicContact SD-CZ 3.42Å; M3275-F3277 WeakPolarHBondContact SD-CZ 3.41Å; F3277-K3279 PolarHBondContact O-N 2.85Å |
| 3278 | L | 46.8 | Very low | 63.8 | Low | 38 Ų | 38 | 65.5 Ų | 65.5 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | trans | -92.6 | 40.8 | -167.7 | -73.1 | 162.7 | 0 | 0 | 0 | 114.6 | F3176 Q3268 M3275 S3280 | F3176-L3278 HydrophobicContact CD2-CD2 4.35Å; Q3268-L3278 HydrophobicContact CG-CB 4.09Å; Q3268-L3278 HydrophobicContact CG-CD1 3.6Å; Q3268-L3278 HydrophobicContact CG-CD2 4Å; Q3268-L3278 HydrophobicContact CG-CG 4.1Å; Q3268-L3278 PolarHBondContact NE2-O 3.41Å; M3275-L3278 HydrophobicContact CB-CD1 3.73Å; M3275-L3278 HydrophobicContact CB-CG 4.4Å; L3278-S3280 VanDerWaalsContact C-N 3.27Å | ||
| 3279 | K | 48.2 | Very low | 65 | Low | 216 Ų | 216 | 68.8 Ų | 68.8 | 94% | 0.939 | 37% | 0.365 | S | S | * | . | trans | -86.7 | 7.8 | 168.4 | -76.8 | -173.1 | 178.1 | -179.7 | 0 | 113.4 | F3277 | F3277-K3279 PolarHBondContact O-N 2.85Š| ||
| 3280 | S | 53.3 | Low | 66.5 | Low | 27 Ų | 27 | 66.3 Ų | 66.3 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -110.1 | 160.2 | -166.8 | -150.4 | 0 | 0 | 0 | 0 | 115.2 | Q3175 L3278 L3282 | Q3175-S3280 VanDerWaalsContact CB-OG 3.23Å; Q3175-S3280 WeakPolarHBondContact CB-OG 3.45Å; Q3175-S3280 VanDerWaalsContact CG-OG 3.25Å; Q3175-S3280 WeakPolarHBondContact CG-OG 3.43Å; Q3175-S3280 PolarHBondContact OE1-OG 3.23Å; L3278-S3280 VanDerWaalsContact C-N 3.27Å; S3280-L3282 PolarHBondContact O-N 3.3Å |
| 3281 | S | 62.3 | Low | 67.9 | Low | 53 Ų | 53 | 62.6 Ų | 62.6 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | trans | -59.2 | 127.1 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3282 | L | 71.9 | Confident | 69.5 | Low | 30 Ų | 30 | 59.6 Ų | 59.6 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.7 | 178.6 | -57.2 | 145.3 | 0 | 0 | 0 | 109 | F3264 S3280 | F3264-L3282 HydrophobicContact CD1-CB 4.39Å; F3264-L3282 HydrophobicContact CD1-CD2 3.85Å; F3264-L3282 HydrophobicContact CE1-CB 4.46Å; F3264-L3282 HydrophobicContact CE1-CD2 3.44Å; F3264-L3282 VanDerWaalsContact CE1-CD2 3.44Å; F3264-L3282 HydrophobicContact CZ-CD2 4.5Å; S3280-L3282 PolarHBondContact O-N 3.3Å |
| 3283 | A | 80.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D3174 F3176 S3177 V3178 R3326 A3327 | D3174-A3283 WeakPolarHBondContact OD2-CB 3.37Å; F3176-A3283 PolarHBondContact O-N 3.02Å; S3177-A3283 VanDerWaalsContact CA-O 3.23Å; S3177-A3283 WeakPolarHBondContact CA-O 3.37Å; V3178-A3283 PolarHBondContact N-O 3.49Å; A3283-R3326 HydrophobicContact CB-CG 4.06Å; A3283-A3327 WeakPolarHBondContact CA-O 3.47Å |
| 3284 | L | 85.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 145.9 | 167.9 | -67.7 | 178.9 | 0 | 0 | 0 | 108.9 | V3178 W3257 P3260 L3261 F3264 R3326 A3327 V3573 L3577 | V3178-L3284 HydrophobicContact CB-CD2 3.77Å; V3178-L3284 HydrophobicContact CG2-CD2 4Å; W3257-L3284 HydrophobicContact CE3-CB 4.47Å; W3257-L3284 HydrophobicContact CZ3-CB 4.25Å; P3260-L3284 HydrophobicContact CB-CD1 3.89Å; L3261-L3284 HydrophobicContact CB-CD1 4.48Å; L3261-L3284 HydrophobicContact CD2-CB 4.22Å; L3261-L3284 HydrophobicContact CD2-CD1 3.66Å; L3261-L3284 HydrophobicContact CD2-CG 3.9Å; L3261-L3284 HydrophobicContact CG-CD1 3.96Å; F3264-L3284 HydrophobicContact CB-CD1 3.93Å; F3264-L3284 HydrophobicContact CB-CD2 4.37Å; F3264-L3284 HydrophobicContact CD1-CD2 4.03Å; F3264-L3284 HydrophobicContact CD1-CG 4.36Å; F3264-L3284 HydrophobicContact CD2-CD2 4.19Å; F3264-L3284 HydrophobicContact CG-CD1 4.32Å; F3264-L3284 HydrophobicContact CG-CD2 3.9Å; F3264-L3284 HydrophobicContact CG-CG 4.39Å; L3284-R3326 CarbonylContact O-C 3.5Å; L3284-R3326 WeakPolarHBondContact O-CA 3.44Å; L3284-A3327 PolarHBondContact N-O 2.82Å; L3284-A3327 PolarHBondContact O-N 3.43Å; L3284-V3573 HydrophobicContact CD1-CG1 4.43Å; L3284-V3573 HydrophobicContact CD2-CG1 4.3Å; L3284-L3577 HydrophobicContact CD1-CD1 4.49Å |
| 3285 | G | 86.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 179 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V3178 L3179 L3180 N3325 | V3178-G3285 PolarHBondContact O-N 3.06Å; L3179-G3285 WeakPolarHBondContact CA-O 3.49Å; L3180-G3285 PolarHBondContact N-O 2.79Å; G3285-N3325 CarbonylContact C-O 3.51Å; G3285-N3325 WeakPolarHBondContact CA-O 3.31Å |
| 3286 | S | 90.4 | Very high | 78.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.9 | 176.4 | 73.9 | 0 | 0 | 0 | 0 | 111.5 | L3180 R3324 N3325 S3569 | L3180-S3286 CarbonylContact O-C 3.53Å; L3180-S3286 VanDerWaalsContact O-CA 3.29Å; L3180-S3286 WeakPolarHBondContact O-CA 3.33Å; S3286-R3324 CarbonylContact O-C 3.46Å; S3286-R3324 WeakPolarHBondContact O-CA 3.37Å; S3286-N3325 PolarHBondContact N-O 2.86Å; S3286-N3325 PolarHBondContact O-N 2.86Å; S3286-S3569 VanDerWaalsContact OG-CB 3.24Å; S3286-S3569 WeakPolarHBondContact OG-CB 3.5Å |
| 3287 | R | 93.3 | Very high | 80.8 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 102.7 | 173.3 | 177.2 | 173.3 | -173 | 175.4 | 1.4 | 108.6 | L3179 L3180 K3181 Q3182 E3322 F3323 R3324 | L3179-R3287 HydrophobicContact CD2-CB 4.23Å; L3180-R3287 PolarHBondContact O-N 2.85Å; K3181-R3287 CarbonylContact C-O 3.47Å; K3181-R3287 WeakPolarHBondContact CA-O 3.43Å; K3181-R3287 HydrophobicContact CG-CB 4.31Å; Q3182-R3287 PolarHBondContact N-O 2.82Å; R3287-E3322 IonicContact CZ-OE1 3.4Å; R3287-E3322 IonicContact NE-OE1 3.99Å; R3287-E3322 PolarHBondContact NE-OE1 3.46Å; R3287-E3322 IonicContact NH2-OE1 3.43Å; R3287-E3322 PolarHBondContact NH2-OE1 3.44Å; R3287-F3323 CarbonylContact C-O 3.55Å; R3287-F3323 WeakPolarHBondContact CA-O 3.4Å; R3287-R3324 HydrophobicContact CG-CG 4.13Å; R3287-R3324 VanDerWaalsContact NH2-NH2 3.12Å |
| 3288 | I | 94.1 | Very high | 83.1 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.8 | 179.4 | -53.6 | 177.3 | 0 | 0 | 0 | 108 | Q3182 M3290 E3322 F3323 L3565 Y3568 | Q3182-I3288 HydrophobicContact CB-CG1 4.24Å; Q3182-I3288 HydrophobicContact CB-CG2 4.36Å; Q3182-I3288 CarbonylContact O-C 3.53Å; Q3182-I3288 WeakPolarHBondContact O-CA 3.46Å; I3288-M3290 HydrophobicContact CG2-CG 4.25Å; I3288-E3322 CarbonylContact O-C 3.47Å; I3288-E3322 WeakPolarHBondContact O-CA 3.27Å; I3288-F3323 HydrophobicContact CB-CB 4.34Å; I3288-F3323 HydrophobicContact CB-CD1 4.41Å; I3288-F3323 HydrophobicContact CD1-CD1 4.04Å; I3288-F3323 HydrophobicContact CG1-CD1 4.29Å; I3288-F3323 PolarHBondContact N-O 2.77Å; I3288-F3323 PolarHBondContact O-N 2.89Å; I3288-L3565 HydrophobicContact CD1-CD2 4.13Å; I3288-Y3568 HydrophobicContact CD1-CD1 4.17Å; I3288-Y3568 HydrophobicContact CD1-CE1 4.19Å |
| 3289 | R | 94.2 | Very high | 85.3 | Confident | 107 Ų | 107 | 41.8 Ų | 41.8 | 40% | 0.404 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.2 | 176.4 | -173.7 | -172.9 | -64.7 | 164.3 | -2.3 | 109 | Q3182 V3183 V3184 V3321 | Q3182-R3289 PolarHBondContact O-N 3.06Å; V3183-R3289 CarbonylContact C-O 3.5Å; V3183-R3289 VanDerWaalsContact CA-O 3.31Å; V3183-R3289 WeakPolarHBondContact CA-O 3.31Å; V3184-R3289 PolarHBondContact N-O 2.79Å; R3289-V3321 CarbonylContact C-O 3.48Å; R3289-V3321 WeakPolarHBondContact CA-O 3.44Å |
| 3290 | M | 94.4 | Very high | 87.4 | Confident | 67 Ų | 67 | 31.6 Ų | 31.6 | 33% | 0.33 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.1 | 178 | -56 | 175.5 | 75.3 | 0 | 0 | 108.8 | V3184 W3186 I3288 A3320 V3321 | V3184-M3290 HydrophobicContact CB-CG 4.34Å; V3184-M3290 CarbonylContact O-C 3.48Å; V3184-M3290 VanDerWaalsContact O-CA 3.25Å; V3184-M3290 WeakPolarHBondContact O-CA 3.5Å; W3186-M3290 HydrophobicContact CH2-CB 3.92Å; W3186-M3290 HydrophobicContact CH2-CE 3.96Å; W3186-M3290 HydrophobicContact CZ3-CB 3.93Å; W3186-M3290 HydrophobicContact CZ3-CE 4.08Å; I3288-M3290 HydrophobicContact CG2-CG 4.25Å; M3290-A3320 CarbonylContact O-C 3.53Å; M3290-A3320 VanDerWaalsContact O-CA 3.29Å; M3290-A3320 WeakPolarHBondContact O-CA 3.49Å; M3290-V3321 HydrophobicContact CB-CB 4.29Å; M3290-V3321 PolarHBondContact N-O 3.17Å; M3290-V3321 PolarHBondContact O-N 3.41Å |
| 3291 | K | 93.1 | Very high | 89.1 | Confident | 96 Ų | 96 | 33.4 Ų | 33.4 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 122 | 179.3 | -172.9 | -177.3 | 178 | -175.3 | 0 | 110.2 | V3184 E3185 W3186 L3319 | V3184-K3291 PolarHBondContact O-N 2.74Å; E3185-K3291 CarbonylContact C-O 3.55Å; E3185-K3291 WeakPolarHBondContact CA-O 3.32Å; E3185-K3291 HydrophobicContact CG-CB 4.3Å; W3186-K3291 PolarHBondContact N-O 2.85Å; K3291-L3319 CarbonylContact C-O 3.49Å; K3291-L3319 VanDerWaalsContact CA-O 3.32Å; K3291-L3319 WeakPolarHBondContact CA-O 3.38Å |
| 3292 | G | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W3186 Q3318 L3319 | W3186-G3292 VanDerWaalsContact NE1-CA 3.32Å; W3186-G3292 WeakPolarHBondContact O-CA 3.3Å; G3292-Q3318 CarbonylContact O-C 3.59Å; G3292-Q3318 WeakPolarHBondContact O-CA 3.42Å; G3292-Q3318 PolarHBondContact O-N 3.44Å; G3292-L3319 PolarHBondContact N-O 2.81Å; G3292-L3319 PolarHBondContact O-N 3.33Å |
| 3293 | A | 91.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 33 Ų | 33 | 32% | 0.322 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W3186 D3187 R3317 Q3318 | W3186-A3293 PolarHBondContact O-N 2.75Å; D3187-A3293 CarbonylContact O-C 3.56Å; D3187-A3293 WeakPolarHBondContact O-CB 3.29Å; D3187-A3293 PolarHBondContact O-N 2.84Å; D3187-A3293 WeakPolarHBondContact OD1-CB 3.35Å; A3293-R3317 CarbonylContact O-C 3.5Å; A3293-R3317 WeakPolarHBondContact O-CA 3.1Å; A3293-Q3318 PolarHBondContact O-N 2.83Å |
| 3294 | R | 91.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 34.5 Ų | 34.5 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 126.8 | 176.4 | -63.2 | 178 | 180 | 175.3 | -3.3 | 110.1 | D3187 T3188 L3189 L3316 | D3187-R3294 PolarHBondContact O-N 2.84Å; T3188-R3294 CarbonylContact C-O 3.59Å; T3188-R3294 WeakPolarHBondContact CA-O 3.43Å; T3188-R3294 HydrophobicContact CG2-CB 4.3Å; L3189-R3294 PolarHBondContact N-O 3.14Å; R3294-L3316 CarbonylContact C-O 3.59Å; R3294-L3316 WeakPolarHBondContact CA-O 3.34Å |
| 3295 | T | 93.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 35 Ų | 35 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 116 | 178.7 | -50.4 | 0 | 0 | 0 | 0 | 109 | W3186 L3189 H3315 L3316 | W3186-T3295 PolarHBondContact NE1-OG1 2.97Å; L3189-T3295 HydrophobicContact CB-CG2 4.4Å; L3189-T3295 HydrophobicContact CD2-CG2 3.99Å; L3189-T3295 CarbonylContact O-C 3.51Å; L3189-T3295 VanDerWaalsContact O-CA 3.3Å; L3189-T3295 WeakPolarHBondContact O-CA 3.29Å; T3295-H3315 CarbonylContact O-C 3.57Å; T3295-H3315 WeakPolarHBondContact O-CA 3.34Å; T3295-L3316 PolarHBondContact N-O 2.88Å; T3295-L3316 PolarHBondContact O-N 2.79Å |
| 3296 | S | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.7 | -178.3 | -52.7 | 0 | 0 | 0 | 0 | 110.2 | L3189 E3190 A3191 F3314 H3315 | L3189-S3296 PolarHBondContact O-N 2.78Å; E3190-S3296 CarbonylContact C-O 3.5Å; E3190-S3296 VanDerWaalsContact CA-O 3.26Å; E3190-S3296 WeakPolarHBondContact CA-O 3.39Å; A3191-S3296 PolarHBondContact N-O 2.74Å; S3296-F3314 CarbonylContact C-O 3.55Å; S3296-F3314 VanDerWaalsContact CA-O 3.27Å; S3296-F3314 WeakPolarHBondContact CA-O 3.25Å; S3296-H3315 PolarHBondContact OG-ND1 2.93Å |
| 3297 | L | 94.5 | Very high | 90 | Very high | 58 Ų | 58 | 40.5 Ų | 40.5 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.5 | 174.4 | 173.9 | 66.2 | 0 | 0 | 0 | 109.1 | A3191 M3193 F3314 | A3191-L3297 HydrophobicContact CB-CD1 3.88Å; A3191-L3297 CarbonylContact O-C 3.53Å; A3191-L3297 WeakPolarHBondContact O-CA 3.45Å; M3193-L3297 HydrophobicContact CG-CD1 3.96Å; M3193-L3297 HydrophobicContact SD-CD1 3.71Å; L3297-F3314 HydrophobicContact CB-CB 4.38Å; L3297-F3314 PolarHBondContact N-O 2.74Å; L3297-F3314 WeakPolarHBondContact O-CD2 3.4Å; L3297-F3314 PolarHBondContact O-N 3.46Å |
| 3298 | A | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A3191 L3192 M3193 F3300 A3312 L3313 A3385 | A3191-A3298 PolarHBondContact O-N 2.88Å; L3192-A3298 WeakPolarHBondContact CA-O 3.37Å; L3192-A3298 HydrophobicContact CD2-CB 3.41Å; L3192-A3298 VanDerWaalsContact CD2-CB 3.41Å; M3193-A3298 PolarHBondContact N-O 3.04Å; A3298-F3300 HydrophobicContact CB-CE2 4.11Å; A3298-A3312 CarbonylContact C-O 3.4Å; A3298-A3312 WeakPolarHBondContact CA-O 3.39Å; A3298-L3313 HydrophobicContact CB-CD1 4.01Å; A3298-A3385 HydrophobicContact CB-CB 4.45Å |
| 3299 | C | 93 | Very high | 89.2 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 10% | 0.095 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 106.8 | 178.2 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | W3311 A3312 F3314 L3472 Y3476 | C3299-W3311 CarbonylContact O-C 3.54Å; C3299-W3311 VanDerWaalsContact O-CA 3.3Å; C3299-W3311 WeakPolarHBondContact O-CA 3.46Å; C3299-W3311 WeakPolarHBondContact O-CB 3.5Å; C3299-A3312 PolarHBondContact N-O 3.49Å; C3299-A3312 PolarHBondContact O-N 2.84Å; C3299-F3314 HydrophobicContact CB-CE2 4.27Å; C3299-L3472 HydrophobicContact CB-CD2 4.03Å; C3299-Y3476 HydrophobicContact CB-CE2 4.31Å |
| 3300 | F | 91.8 | Very high | 89 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.7 | 177.5 | -71.1 | -98.6 | 0 | 0 | 0 | 110.7 | L3192 M3193 R3195 A3298 F3305 S3308 W3311 A3385 Y3476 | L3192-F3300 HydrophobicContact CB-CE2 4.34Å; L3192-F3300 HydrophobicContact CD2-CE2 4.4Å; M3193-F3300 WeakPolarHBondContact O-CD2 3.43Å; M3193-F3300 PolarHBondContact O-N 3.13Å; R3195-F3300 PolarHBondContact N-O 2.93Å; A3298-F3300 HydrophobicContact CB-CE2 4.11Å; F3300-F3305 HydrophobicContact CB-CD1 4.43Å; F3300-F3305 HydrophobicContact CD1-CD1 4.16Å; F3300-F3305 AromaticContact CD2-CD1 3.44Å; F3300-F3305 HydrophobicContact CD2-CD1 3.44Å; F3300-F3305 VanDerWaalsContact CD2-CD1 3.44Å; F3300-F3305 AromaticContact CD2-CE1 3.37Å; F3300-F3305 HydrophobicContact CD2-CE1 3.37Å; F3300-F3305 HydrophobicContact CE1-CD1 4.24Å; F3300-F3305 AromaticContact CE2-CD1 3.55Å; F3300-F3305 HydrophobicContact CE2-CD1 3.55Å; F3300-F3305 AromaticContact CE2-CE1 3.56Å; F3300-F3305 HydrophobicContact CE2-CE1 3.56Å; F3300-F3305 AromaticContact CG-CD1 3.74Å; F3300-F3305 HydrophobicContact CG-CD1 3.74Å; F3300-F3305 HydrophobicContact CG-CE1 4.08Å; F3300-F3305 AromaticContact CZ-CD1 3.95Å; F3300-F3305 HydrophobicContact CZ-CD1 3.95Å; F3300-F3305 HydrophobicContact CZ-CE1 4.39Å; F3300-S3308 WeakPolarHBondContact CD1-OG 3.48Å; F3300-W3311 HydrophobicContact CB-CB 4.27Å; F3300-W3311 HydrophobicContact CD1-CB 3.6Å; F3300-W3311 HydrophobicContact CD1-CD2 4.26Å; F3300-W3311 HydrophobicContact CD1-CE3 4.21Å; F3300-W3311 HydrophobicContact CD1-CG 4.07Å; F3300-W3311 HydrophobicContact CD2-CB 4.18Å; F3300-W3311 HydrophobicContact CE1-CB 3.95Å; F3300-W3311 AromaticContact CE1-CD2 3.75Å; F3300-W3311 HydrophobicContact CE1-CD2 3.75Å; F3300-W3311 AromaticContact CE1-CE3 3.75Å; F3300-W3311 HydrophobicContact CE1-CE3 3.75Å; F3300-W3311 AromaticContact CE1-CG 3.88Å; F3300-W3311 HydrophobicContact CE1-CG 3.88Å; F3300-W3311 HydrophobicContact CE1-CZ3 4.48Å; F3300-W3311 HydrophobicContact CE2-CB 4.47Å; F3300-W3311 HydrophobicContact CE2-CG 4.47Å; F3300-W3311 HydrophobicContact CG-CB 3.77Å; F3300-W3311 HydrophobicContact CG-CG 4.49Å; F3300-W3311 HydrophobicContact CZ-CB 4.38Å; F3300-W3311 HydrophobicContact CZ-CD2 4.15Å; F3300-W3311 HydrophobicContact CZ-CG 4.11Å; F3300-A3385 HydrophobicContact CE2-CB 4.45Å; F3300-A3385 HydrophobicContact CZ-CB 4.07Å; F3300-Y3476 PolarHBondContact N-OH 3.19Å; F3300-Y3476 PolarHBondContact O-OH 3.1Å |
| 3301 | H | 87.5 | Confident | 88.9 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -75.2 | -28.2 | -178.6 | -172.6 | 76 | 0 | 0 | 0 | 113.1 | Q3310 F3468 L3472 | H3301-Q3310 WeakPolarHBondContact CB-O 3.44Å; H3301-Q3310 PolarHBondContact N-O 2.81Å; H3301-Q3310 VanDerWaalsContact N-O 3.14Å; H3301-F3468 HydrophobicContact CB-CE2 4.26Å; H3301-L3472 HydrophobicContact CB-CD1 3.76Å |
| 3302 | G | 84.2 | Confident | 88.9 | Confident | 12 Ų | 12 | 32 Ų | 32 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -77.3 | 166 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R3195 T3304 | R3195-G3302 PolarHBondContact N-O 2.84Å; G3302-T3304 VanDerWaalsContact C-N 3.31Å |
| 3303 | S | 82.6 | Confident | 89 | Confident | 62 Ų | 62 | 32 Ų | 32 | 43% | 0.434 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -73.6 | -23.6 | 172.4 | 54 | 0 | 0 | 0 | 0 | 112.9 | ||
| 3304 | T | 83.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -132.2 | 151.4 | 172.3 | 70 | 0 | 0 | 0 | 0 | 110.2 | G3302 S3306 S3307 S3308 | G3302-T3304 VanDerWaalsContact C-N 3.31Å; T3304-S3306 PolarHBondContact O-N 2.77Å; T3304-S3306 VanDerWaalsContact O-N 3.14Å; T3304-S3306 PolarHBondContact OG1-OG 2.79Å; T3304-S3307 PolarHBondContact N-OG 2.86Å; T3304-S3307 PolarHBondContact O-N 2.8Å; T3304-S3307 VanDerWaalsContact O-N 3.1Å; T3304-S3307 PolarHBondContact O-OG 2.98Å; T3304-S3307 WeakPolarHBondContact OG1-CB 3.28Å; T3304-S3307 PolarHBondContact OG1-N 2.77Å; T3304-S3307 PolarHBondContact OG1-OG 2.92Å; T3304-S3308 PolarHBondContact O-N 2.82Å; T3304-S3308 PolarHBondContact O-OG 2.8Å |
| 3305 | F | 85.6 | Confident | 89.2 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.2 | 174.4 | -62.6 | -69.6 | 0 | 0 | 0 | 113.3 | T3133 M3136 L3192 T3194 F3300 S3308 W3381 | T3133-F3305 HydrophobicContact CG2-CD2 4.31Å; T3133-F3305 HydrophobicContact CG2-CE2 3.91Å; T3133-F3305 WeakPolarHBondContact O-CD2 3.48Å; T3133-F3305 WeakPolarHBondContact O-CE2 3.28Å; M3136-F3305 HydrophobicContact CE-CD2 3.8Å; M3136-F3305 HydrophobicContact CE-CE1 4.45Å; M3136-F3305 HydrophobicContact CE-CE2 3.61Å; M3136-F3305 HydrophobicContact CE-CG 4.31Å; M3136-F3305 HydrophobicContact CE-CZ 3.97Å; L3192-F3305 HydrophobicContact CB-CE1 3.84Å; L3192-F3305 HydrophobicContact CB-CZ 3.98Å; T3194-F3305 HydrophobicContact CG2-CD1 3.98Å; T3194-F3305 HydrophobicContact CG2-CD2 3.99Å; T3194-F3305 HydrophobicContact CG2-CE1 3.73Å; T3194-F3305 HydrophobicContact CG2-CE2 3.75Å; T3194-F3305 HydrophobicContact CG2-CG 4.1Å; T3194-F3305 HydrophobicContact CG2-CZ 3.62Å; F3300-F3305 HydrophobicContact CB-CD1 4.43Å; F3300-F3305 HydrophobicContact CD1-CD1 4.16Å; F3300-F3305 AromaticContact CD2-CD1 3.44Å; F3300-F3305 HydrophobicContact CD2-CD1 3.44Å; F3300-F3305 VanDerWaalsContact CD2-CD1 3.44Å; F3300-F3305 AromaticContact CD2-CE1 3.37Å; F3300-F3305 HydrophobicContact CD2-CE1 3.37Å; F3300-F3305 HydrophobicContact CE1-CD1 4.24Å; F3300-F3305 AromaticContact CE2-CD1 3.55Å; F3300-F3305 HydrophobicContact CE2-CD1 3.55Å; F3300-F3305 AromaticContact CE2-CE1 3.56Å; F3300-F3305 HydrophobicContact CE2-CE1 3.56Å; F3300-F3305 AromaticContact CG-CD1 3.74Å; F3300-F3305 HydrophobicContact CG-CD1 3.74Å; F3300-F3305 HydrophobicContact CG-CE1 4.08Å; F3300-F3305 AromaticContact CZ-CD1 3.95Å; F3300-F3305 HydrophobicContact CZ-CD1 3.95Å; F3300-F3305 HydrophobicContact CZ-CE1 4.39Å; F3305-S3308 WeakPolarHBondContact CA-OG 3.46Å; F3305-S3308 PolarHBondContact O-OG 2.66Å; F3305-W3381 HydrophobicContact CB-CH2 3.81Å; F3305-W3381 HydrophobicContact CB-CZ3 3.88Å; F3305-W3381 HydrophobicContact CG-CZ3 4.42Å |
| 3306 | S | 80.5 | Confident | 89.1 | Confident | 59 Ų | 59 | 30.8 Ų | 30.8 | 41% | 0.413 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -34.3 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | T3304 R3367 | T3304-S3306 PolarHBondContact O-N 2.77Å; T3304-S3306 VanDerWaalsContact O-N 3.14Å; T3304-S3306 PolarHBondContact OG1-OG 2.79Å; S3306-R3367 PolarHBondContact O-NH1 2.79Å |
| 3307 | S | 82.1 | Confident | 89 | Confident | 59 Ų | 59 | 32.6 Ų | 32.6 | 41% | 0.413 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -23.6 | -179 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | T3304 Q3309 | T3304-S3307 PolarHBondContact N-OG 2.86Å; T3304-S3307 PolarHBondContact O-N 2.8Å; T3304-S3307 VanDerWaalsContact O-N 3.1Å; T3304-S3307 PolarHBondContact O-OG 2.98Å; T3304-S3307 WeakPolarHBondContact OG1-CB 3.28Å; T3304-S3307 PolarHBondContact OG1-N 2.77Å; T3304-S3307 PolarHBondContact OG1-OG 2.92Å; S3307-Q3309 PolarHBondContact O-N 2.84Å |
| 3308 | S | 83.1 | Confident | 88.8 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -76 | 115.6 | -176.3 | 49 | 0 | 0 | 0 | 0 | 111.8 | F3300 T3304 F3305 | F3300-S3308 WeakPolarHBondContact CD1-OG 3.48Å; T3304-S3308 PolarHBondContact O-N 2.82Å; T3304-S3308 PolarHBondContact O-OG 2.8Å; F3305-S3308 WeakPolarHBondContact CA-OG 3.46Å; F3305-S3308 PolarHBondContact O-OG 2.66Å | ||
| 3309 | Q | 86.1 | Confident | 88.7 | Confident | 110 Ų | 110 | 34 Ų | 34 | 51% | 0.514 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -82.2 | -24 | 171.5 | -65.8 | -64.6 | -14.1 | 0 | 0 | 112.8 | S3307 Q3366 R3367 | S3307-Q3309 PolarHBondContact O-N 2.84Å; Q3309-Q3366 WeakPolarHBondContact O-CA 3.15Å; Q3309-R3367 WeakPolarHBondContact O-CB 3.34Å; Q3309-R3367 PolarHBondContact O-N 2.72Å |
| 3310 | Q | 90.5 | Very high | 88.8 | Confident | 40 Ų | 40 | 35 Ų | 35 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.2 | -176.6 | -62.4 | -176 | -11.3 | 0 | 0 | 111.1 | H3301 C3365 Q3366 F3468 | H3301-Q3310 WeakPolarHBondContact CB-O 3.44Å; H3301-Q3310 PolarHBondContact N-O 2.81Å; H3301-Q3310 VanDerWaalsContact N-O 3.14Å; Q3310-C3365 CarbonylContact C-O 3.57Å; Q3310-C3365 VanDerWaalsContact CA-O 3.28Å; Q3310-C3365 WeakPolarHBondContact CA-O 3.48Å; Q3310-Q3366 HydrophobicContact CG-CB 4.13Å; Q3310-Q3366 HydrophobicContact CG-CG 4.05Å; Q3310-F3468 HydrophobicContact CB-CE2 3.91Å; Q3310-F3468 HydrophobicContact CB-CZ 4.1Å |
| 3311 | W | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 154.6 | 173.8 | 67.9 | 98.8 | 0 | 0 | 0 | 111 | C3299 F3300 C3365 R3367 Y3384 A3385 P3389 V3409 | C3299-W3311 CarbonylContact O-C 3.54Å; C3299-W3311 VanDerWaalsContact O-CA 3.3Å; C3299-W3311 WeakPolarHBondContact O-CA 3.46Å; C3299-W3311 WeakPolarHBondContact O-CB 3.5Å; F3300-W3311 HydrophobicContact CB-CB 4.27Å; F3300-W3311 HydrophobicContact CD1-CB 3.6Å; F3300-W3311 HydrophobicContact CD1-CD2 4.26Å; F3300-W3311 HydrophobicContact CD1-CE3 4.21Å; F3300-W3311 HydrophobicContact CD1-CG 4.07Å; F3300-W3311 HydrophobicContact CD2-CB 4.18Å; F3300-W3311 HydrophobicContact CE1-CB 3.95Å; F3300-W3311 AromaticContact CE1-CD2 3.75Å; F3300-W3311 HydrophobicContact CE1-CD2 3.75Å; F3300-W3311 AromaticContact CE1-CE3 3.75Å; F3300-W3311 HydrophobicContact CE1-CE3 3.75Å; F3300-W3311 AromaticContact CE1-CG 3.88Å; F3300-W3311 HydrophobicContact CE1-CG 3.88Å; F3300-W3311 HydrophobicContact CE1-CZ3 4.48Å; F3300-W3311 HydrophobicContact CE2-CB 4.47Å; F3300-W3311 HydrophobicContact CE2-CG 4.47Å; F3300-W3311 HydrophobicContact CG-CB 3.77Å; F3300-W3311 HydrophobicContact CG-CG 4.49Å; F3300-W3311 HydrophobicContact CZ-CB 4.38Å; F3300-W3311 HydrophobicContact CZ-CD2 4.15Å; F3300-W3311 HydrophobicContact CZ-CG 4.11Å; W3311-C3365 HydrophobicContact CD2-CB 3.56Å; W3311-C3365 HydrophobicContact CE3-CB 4.15Å; W3311-C3365 HydrophobicContact CG-CB 4Å; W3311-C3365 HydrophobicContact CH2-CB 4.06Å; W3311-C3365 HydrophobicContact CZ2-CB 3.47Å; W3311-C3365 VanDerWaalsContact CZ2-CB 3.47Å; W3311-C3365 HydrophobicContact CZ3-CB 4.37Å; W3311-C3365 PolarHBondContact N-O 3.47Å; W3311-C3365 PolarHBondContact O-N 2.77Å; W3311-R3367 HydrophobicContact CZ3-CB 4.12Å; W3311-Y3384 AromaticContact CH2-CE1 3.74Å; W3311-Y3384 HydrophobicContact CH2-CE1 3.74Å; W3311-Y3384 HydrophobicContact CH2-CE2 4.32Å; W3311-Y3384 AromaticContact CH2-CZ 3.55Å; W3311-Y3384 WeakPolarHBondContact CH2-OH 3.27Å; W3311-Y3384 HydrophobicContact CZ2-CE1 4.18Å; W3311-Y3384 HydrophobicContact CZ3-CE1 4.17Å; W3311-Y3384 WeakPolarHBondContact CZ3-OH 3.35Å; W3311-A3385 PolarHBondContact NE1-O 3.09Å; W3311-P3389 HydrophobicContact CZ2-CG 4.49Å; W3311-V3409 HydrophobicContact CH2-CB 4.44Å; W3311-V3409 HydrophobicContact CH2-CG1 3.49Å; W3311-V3409 VanDerWaalsContact CH2-CG1 3.49Å; W3311-V3409 HydrophobicContact CH2-CG2 4.02Å; W3311-V3409 HydrophobicContact CZ2-CG1 3.63Å; W3311-V3409 HydrophobicContact CZ2-CG2 4.23Å; W3311-V3409 HydrophobicContact CZ3-CG1 4.47Å |
| 3312 | A | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A3298 C3299 F3314 L3363 F3468 L3469 L3472 | A3298-A3312 CarbonylContact C-O 3.4Å; A3298-A3312 WeakPolarHBondContact CA-O 3.39Å; C3299-A3312 PolarHBondContact N-O 3.49Å; C3299-A3312 PolarHBondContact O-N 2.84Å; A3312-F3314 HydrophobicContact CB-CE2 3.9Å; A3312-F3314 HydrophobicContact CB-CZ 4.17Å; A3312-L3363 CarbonylContact C-O 3.59Å; A3312-L3363 VanDerWaalsContact CA-O 3.3Å; A3312-L3363 WeakPolarHBondContact CA-O 3.3Å; A3312-F3468 HydrophobicContact CB-CE1 4.16Å; A3312-L3469 HydrophobicContact CB-CD1 4.48Å; A3312-L3472 HydrophobicContact CB-CD2 3.38Å |
| 3313 | L | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.4 | 173.1 | 177.8 | 66.3 | 0 | 0 | 0 | 109.3 | A3298 V3362 L3363 P3389 L3390 | A3298-L3313 HydrophobicContact CB-CD1 4.01Å; L3313-V3362 CarbonylContact O-C 3.49Å; L3313-V3362 WeakPolarHBondContact O-CA 3.37Å; L3313-L3363 HydrophobicContact CB-CB 4.33Å; L3313-L3363 HydrophobicContact CD2-CD1 4.35Å; L3313-L3363 PolarHBondContact N-O 2.78Å; L3313-L3363 PolarHBondContact O-N 2.79Å; L3313-P3389 HydrophobicContact CD2-CB 4.04Å; L3313-P3389 HydrophobicContact CD2-CG 4.47Å; L3313-L3390 HydrophobicContact CD2-CD1 4.34Å; L3313-L3390 HydrophobicContact CD2-CD2 4.05Å; L3313-L3390 HydrophobicContact CD2-CG 3.88Å |
| 3314 | F | 93.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 25% | 0.25 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.5 | 172.3 | -56.6 | -91.9 | 0 | 0 | 0 | 108.3 | S3296 L3297 C3299 A3312 V3362 L3469 | S3296-F3314 CarbonylContact C-O 3.55Å; S3296-F3314 VanDerWaalsContact CA-O 3.27Å; S3296-F3314 WeakPolarHBondContact CA-O 3.25Å; L3297-F3314 HydrophobicContact CB-CB 4.38Å; L3297-F3314 PolarHBondContact N-O 2.74Å; L3297-F3314 WeakPolarHBondContact O-CD2 3.4Å; L3297-F3314 PolarHBondContact O-N 3.46Å; C3299-F3314 HydrophobicContact CB-CE2 4.27Å; A3312-F3314 HydrophobicContact CB-CE2 3.9Å; A3312-F3314 HydrophobicContact CB-CZ 4.17Å; F3314-V3362 HydrophobicContact CD1-CB 4.4Å; F3314-V3362 HydrophobicContact CD1-CG1 3.77Å; F3314-V3362 HydrophobicContact CD1-CG2 3.83Å; F3314-V3362 HydrophobicContact CE1-CG1 3.63Å; F3314-V3362 HydrophobicContact CE1-CG2 4.23Å; F3314-V3362 HydrophobicContact CZ-CG1 4.34Å; F3314-L3469 HydrophobicContact CE1-CD1 4.13Å; F3314-L3469 HydrophobicContact CZ-CD1 3.77Å |
| 3315 | H | 93.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.8 | 179.6 | -175.9 | 73.7 | 0 | 0 | 0 | 111.1 | T3295 S3296 A3360 V3361 L3390 F3394 | T3295-H3315 CarbonylContact O-C 3.57Å; T3295-H3315 WeakPolarHBondContact O-CA 3.34Å; S3296-H3315 PolarHBondContact OG-ND1 2.93Å; H3315-A3360 CarbonylContact O-C 3.56Å; H3315-A3360 WeakPolarHBondContact O-CA 3.05Å; H3315-A3360 WeakPolarHBondContact O-CB 3.34Å; H3315-V3361 PolarHBondContact N-O 2.81Å; H3315-V3361 PolarHBondContact O-N 3.01Å; H3315-L3390 HydrophobicContact CB-CD2 3.7Å; H3315-L3390 WeakPolarHBondContact ND1-CD1 3.41Å; H3315-F3394 AromaticContact CD2-CE2 3.49Å; H3315-F3394 VanDerWaalsContact CD2-CE2 3.49Å; H3315-F3394 WeakPolarHBondContact CD2-CE2 3.38Å; H3315-F3394 AromaticContact CD2-CZ 4Å |
| 3316 | L | 92.2 | Very high | 90.5 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.6 | -178.6 | -64.6 | 148.5 | 0 | 0 | 0 | 109.4 | R3294 T3295 L3319 L3348 A3360 | R3294-L3316 CarbonylContact C-O 3.59Å; R3294-L3316 WeakPolarHBondContact CA-O 3.34Å; T3295-L3316 PolarHBondContact N-O 2.88Å; T3295-L3316 PolarHBondContact O-N 2.79Å; L3316-L3319 HydrophobicContact CD1-CD2 4.47Å; L3316-L3348 HydrophobicContact CB-CD1 4.12Å; L3316-L3348 HydrophobicContact CD2-CD1 3.84Å; L3316-L3348 HydrophobicContact CD2-CD2 4.27Å; L3316-A3360 HydrophobicContact CD2-CB 3.61Å; L3316-A3360 HydrophobicContact CG-CB 4.27Å |
| 3317 | R | 91.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 14% | 0.143 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.2 | 173 | -64 | 173.4 | 69.7 | 176.4 | 7.2 | 109.8 | A3293 L3319 L3348 M3359 D3396 | A3293-R3317 CarbonylContact O-C 3.5Å; A3293-R3317 WeakPolarHBondContact O-CA 3.1Å; R3317-L3319 PolarHBondContact O-N 3.11Å; R3317-L3348 WeakPolarHBondContact O-CD1 3.49Å; R3317-M3359 HydrophobicContact CB-CE 4.28Å; R3317-M3359 WeakPolarHBondContact CB-O 3.5Å; R3317-M3359 HydrophobicContact CB-SD 4.42Å; R3317-M3359 PolarHBondContact N-O 2.83Å; R3317-D3396 IonicContact NH1-OD2 3.7Å; R3317-D3396 IonicContact NH2-OD2 3.32Å; R3317-D3396 PolarHBondContact NH2-OD2 3.32Å |
| 3318 | Q | 90.6 | Very high | 91 | Very high | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.294 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 51.5 | 174.5 | -56.1 | -179.8 | -9.7 | 0 | 0 | 113.1 | G3292 A3293 G3349 H3350 M3359 | G3292-Q3318 CarbonylContact O-C 3.59Å; G3292-Q3318 WeakPolarHBondContact O-CA 3.42Å; G3292-Q3318 PolarHBondContact O-N 3.44Å; A3293-Q3318 PolarHBondContact O-N 2.83Å; Q3318-G3349 PolarHBondContact O-N 2.84Å; Q3318-G3349 VanDerWaalsContact O-N 3.09Å; Q3318-H3350 PolarHBondContact OE1-ND1 2.76Å; Q3318-M3359 HydrophobicContact CB-CE 3.99Å; Q3318-M3359 HydrophobicContact CG-CE 4.06Å; Q3318-M3359 VanDerWaalsContact OE1-CE 3.23Å |
| 3319 | L | 92.8 | Very high | 91 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.6 | 175.5 | 178.8 | 66 | 0 | 0 | 0 | 109.9 | W3186 K3291 G3292 L3316 R3317 V3321 L3348 | W3186-L3319 HydrophobicContact CZ2-CD2 4.29Å; K3291-L3319 CarbonylContact C-O 3.49Å; K3291-L3319 VanDerWaalsContact CA-O 3.32Å; K3291-L3319 WeakPolarHBondContact CA-O 3.38Å; G3292-L3319 PolarHBondContact N-O 2.81Å; G3292-L3319 PolarHBondContact O-N 3.33Å; L3316-L3319 HydrophobicContact CD1-CD2 4.47Å; R3317-L3319 PolarHBondContact O-N 3.11Å; L3319-V3321 HydrophobicContact CD1-CG2 3.87Å; L3319-V3321 HydrophobicContact CD2-CG2 4.36Å; L3319-V3321 HydrophobicContact CG-CG2 4.04Å; L3319-L3348 HydrophobicContact CB-CD1 4.42Å; L3319-L3348 HydrophobicContact CD1-CD1 4.42Å |
| 3320 | A | 93.2 | Very high | 90.6 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 111.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | M3290 C3346 R3347 | M3290-A3320 CarbonylContact O-C 3.53Å; M3290-A3320 VanDerWaalsContact O-CA 3.29Å; M3290-A3320 WeakPolarHBondContact O-CA 3.49Å; A3320-C3346 CarbonylContact O-C 3.53Å; A3320-R3347 HydrophobicContact CB-CB 4.29Å; A3320-R3347 PolarHBondContact N-O 3.34Å; A3320-R3347 PolarHBondContact O-N 2.88Å |
| 3321 | V | 93.2 | Very high | 90 | Very high | 27 Ų | 27 | 37 Ų | 37 | 16% | 0.164 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.1 | 178.1 | -177 | 0 | 0 | 0 | 0 | 108.8 | R3289 M3290 L3319 L3344 T3345 | R3289-V3321 CarbonylContact C-O 3.48Å; R3289-V3321 WeakPolarHBondContact CA-O 3.44Å; M3290-V3321 HydrophobicContact CB-CB 4.29Å; M3290-V3321 PolarHBondContact N-O 3.17Å; M3290-V3321 PolarHBondContact O-N 3.41Å; L3319-V3321 HydrophobicContact CD1-CG2 3.87Å; L3319-V3321 HydrophobicContact CD2-CG2 4.36Å; L3319-V3321 HydrophobicContact CG-CG2 4.04Å; V3321-L3344 HydrophobicContact CG1-CD1 3.63Å; V3321-T3345 CarbonylContact C-O 3.56Å; V3321-T3345 WeakPolarHBondContact CA-O 3.38Å |
| 3322 | E | 94.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.7 | 174.6 | 177.2 | 169.8 | -148.1 | 0 | 0 | 109.1 | R3287 I3288 R3324 L3344 T3345 | R3287-E3322 IonicContact CZ-OE1 3.4Å; R3287-E3322 IonicContact NE-OE1 3.99Å; R3287-E3322 PolarHBondContact NE-OE1 3.46Å; R3287-E3322 IonicContact NH2-OE1 3.43Å; R3287-E3322 PolarHBondContact NH2-OE1 3.44Å; I3288-E3322 CarbonylContact O-C 3.47Å; I3288-E3322 WeakPolarHBondContact O-CA 3.27Å; E3322-R3324 VanDerWaalsContact CD-NE 3.34Å; E3322-R3324 HydrophobicContact CG-CG 4.2Å; E3322-R3324 IonicContact OE1-CZ 3.01Å; E3322-R3324 VanDerWaalsContact OE1-CZ 3.3Å; E3322-R3324 IonicContact OE1-NE 2.79Å; E3322-R3324 PolarHBondContact OE1-NE 2.86Å; E3322-R3324 IonicContact OE1-NH2 2.81Å; E3322-R3324 PolarHBondContact OE1-NH2 2.85Å; E3322-R3324 IonicContact OE2-CZ 3.92Å; E3322-R3324 IonicContact OE2-NE 3.98Å; E3322-R3324 IonicContact OE2-NH2 3.21Å; E3322-R3324 PolarHBondContact OE2-NH2 3.12Å; E3322-L3344 CarbonylContact O-C 3.47Å; E3322-L3344 WeakPolarHBondContact O-CA 3.42Å; E3322-T3345 PolarHBondContact N-O 3.04Å; E3322-T3345 PolarHBondContact O-N 3.47Å |
| 3323 | F | 93.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.5 | 173.9 | 174.7 | -107.5 | 0 | 0 | 0 | 109.3 | R3287 I3288 N3325 Q3342 V3343 L3344 L3562 L3565 D3566 | R3287-F3323 CarbonylContact C-O 3.55Å; R3287-F3323 WeakPolarHBondContact CA-O 3.4Å; I3288-F3323 HydrophobicContact CB-CB 4.34Å; I3288-F3323 HydrophobicContact CB-CD1 4.41Å; I3288-F3323 HydrophobicContact CD1-CD1 4.04Å; I3288-F3323 HydrophobicContact CG1-CD1 4.29Å; I3288-F3323 PolarHBondContact N-O 2.77Å; I3288-F3323 PolarHBondContact O-N 2.89Å; F3323-N3325 HydrophobicContact CE1-CB 4Å; F3323-N3325 HydrophobicContact CZ-CB 3.89Å; F3323-Q3342 HydrophobicContact CE2-CB 4.15Å; F3323-Q3342 HydrophobicContact CE2-CG 4.38Å; F3323-Q3342 HydrophobicContact CZ-CG 4.43Å; F3323-V3343 CarbonylContact C-O 3.51Å; F3323-V3343 WeakPolarHBondContact CA-O 3.16Å; F3323-L3344 HydrophobicContact CB-CD1 4.27Å; F3323-L3344 HydrophobicContact CD2-CD1 4.46Å; F3323-L3562 HydrophobicContact CD2-CD2 3.73Å; F3323-L3562 HydrophobicContact CE2-CD2 3.56Å; F3323-L3565 HydrophobicContact CB-CD1 4.11Å; F3323-L3565 HydrophobicContact CD1-CB 4.01Å; F3323-L3565 HydrophobicContact CD1-CD1 3.94Å; F3323-L3565 HydrophobicContact CD2-CD1 4.12Å; F3323-L3565 HydrophobicContact CE1-CB 3.74Å; F3323-L3565 HydrophobicContact CE1-CD1 4.42Å; F3323-L3565 HydrophobicContact CG-CD1 3.77Å; F3323-L3565 HydrophobicContact CZ-CB 4.1Å; F3323-D3566 VanDerWaalsContact CZ-OD1 3.25Å; F3323-D3566 WeakPolarHBondContact CZ-OD1 3.48Å |
| 3324 | R | 92.8 | Very high | 87 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.9 | 175.3 | -58.3 | -177.8 | -174.2 | 167.7 | 11 | 108.4 | S3286 R3287 E3322 Q3342 V3343 | S3286-R3324 CarbonylContact O-C 3.46Å; S3286-R3324 WeakPolarHBondContact O-CA 3.37Å; R3287-R3324 HydrophobicContact CG-CG 4.13Å; R3287-R3324 VanDerWaalsContact NH2-NH2 3.12Å; E3322-R3324 VanDerWaalsContact CD-NE 3.34Å; E3322-R3324 HydrophobicContact CG-CG 4.2Å; E3322-R3324 IonicContact OE1-CZ 3.01Å; E3322-R3324 VanDerWaalsContact OE1-CZ 3.3Å; E3322-R3324 IonicContact OE1-NE 2.79Å; E3322-R3324 PolarHBondContact OE1-NE 2.86Å; E3322-R3324 IonicContact OE1-NH2 2.81Å; E3322-R3324 PolarHBondContact OE1-NH2 2.85Å; E3322-R3324 IonicContact OE2-CZ 3.92Å; E3322-R3324 IonicContact OE2-NE 3.98Å; E3322-R3324 IonicContact OE2-NH2 3.21Å; E3322-R3324 PolarHBondContact OE2-NH2 3.12Å; R3324-Q3342 CarbonylContact O-C 3.49Å; R3324-Q3342 WeakPolarHBondContact O-CA 3.48Å; R3324-V3343 HydrophobicContact CB-CB 4.34Å; R3324-V3343 PolarHBondContact N-O 3.4Å; R3324-V3343 PolarHBondContact O-N 3.35Å |
| 3325 | N | 90.9 | Very high | 86.1 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136.6 | 170.1 | -175.4 | -28.6 | 0 | 0 | 0 | 108.9 | W3257 G3285 S3286 F3323 V3340 V3341 D3566 | W3257-N3325 VanDerWaalsContact CE2-ND2 3.31Å; W3257-N3325 HydrophobicContact CZ2-CB 4.08Å; W3257-N3325 WeakPolarHBondContact CZ2-ND2 3.13Å; W3257-N3325 PolarHBondContact NE1-ND2 3.4Å; G3285-N3325 CarbonylContact C-O 3.51Å; G3285-N3325 WeakPolarHBondContact CA-O 3.31Å; S3286-N3325 PolarHBondContact N-O 2.86Å; S3286-N3325 PolarHBondContact O-N 2.86Å; F3323-N3325 HydrophobicContact CE1-CB 4Å; F3323-N3325 HydrophobicContact CZ-CB 3.89Å; N3325-V3340 VanDerWaalsContact OD1-CG1 3.29Å; N3325-V3340 WeakPolarHBondContact OD1-CG1 3.28Å; N3325-V3341 WeakPolarHBondContact CA-O 3.3Å; N3325-D3566 PolarHBondContact ND2-OD1 2.69Å; N3325-D3566 PolarHBondContact ND2-OD2 3.45Å |
| 3326 | R | 88 | Confident | 85.2 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 118.2 | 167.4 | -167 | -178.9 | -165.2 | 134 | 12.9 | 109.5 | D3174 A3283 L3284 V3340 V3341 | D3174-R3326 IonicContact OD2-CZ 2.86Å; D3174-R3326 IonicContact OD2-NE 2.92Å; D3174-R3326 PolarHBondContact OD2-NE 2.82Å; D3174-R3326 IonicContact OD2-NH2 2.98Å; D3174-R3326 PolarHBondContact OD2-NH2 2.84Å; A3283-R3326 HydrophobicContact CB-CG 4.06Å; L3284-R3326 CarbonylContact O-C 3.5Å; L3284-R3326 WeakPolarHBondContact O-CA 3.44Å; R3326-V3340 WeakPolarHBondContact O-CA 3.49Å; R3326-V3341 PolarHBondContact N-O 3.2Å; R3326-V3341 PolarHBondContact O-N 2.8Å |
| 3327 | A | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | W3257 L3261 A3283 L3284 S3339 V3340 | W3257-A3327 HydrophobicContact CB-CB 3.89Å; W3257-A3327 HydrophobicContact CD2-CB 3.56Å; W3257-A3327 HydrophobicContact CE3-CB 3.68Å; W3257-A3327 HydrophobicContact CG-CB 3.65Å; W3257-A3327 HydrophobicContact CZ3-CB 4.44Å; L3261-A3327 HydrophobicContact CD1-CB 4.29Å; A3283-A3327 WeakPolarHBondContact CA-O 3.47Å; L3284-A3327 PolarHBondContact N-O 2.82Å; L3284-A3327 PolarHBondContact O-N 3.43Å; A3327-S3339 WeakPolarHBondContact CA-O 3.18Å; A3327-V3340 HydrophobicContact CB-CG2 4.1Å |
| 3328 | R | 84.5 | Confident | 84 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.5 | 177.9 | 58.6 | 174.5 | -177 | 174.6 | 3.1 | 110.2 | V3330 T3338 S3339 | R3328-V3330 HydrophobicContact CG-CG2 3.86Å; R3328-T3338 CarbonylContact O-C 3.52Å; R3328-T3338 WeakPolarHBondContact O-CA 3.29Å; R3328-S3339 PolarHBondContact N-O 3.49Å; R3328-S3339 PolarHBondContact NE-OG 3.33Å; R3328-S3339 PolarHBondContact O-N 3.43Å |
| 3329 | D | 82.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.9 | 169.2 | -69.1 | -30.5 | 0 | 0 | 0 | 109.9 | L3336 T3338 | D3329-L3336 HydrophobicContact CB-CD1 4.03Å; D3329-T3338 PolarHBondContact OD1-OG1 3.46Å; D3329-T3338 VanDerWaalsContact OD1-OG1 3.1Å |
| 3330 | V | 79.2 | Confident | 83.6 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.3 | -177.2 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | R3328 H3337 | R3328-V3330 HydrophobicContact CG-CG2 3.86Å; V3330-H3337 PolarHBondContact N-O 2.89Å; V3330-H3337 WeakPolarHBondContact O-CA 3.49Å; V3330-H3337 WeakPolarHBondContact O-CB 3.42Å; V3330-H3337 PolarHBondContact O-N 2.78Å |
| 3331 | V | 78.3 | Confident | 83.4 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 65% | 0.648 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 117.7 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | Q3335 L3336 | V3331-Q3335 WeakPolarHBondContact CA-O 3.32Å; V3331-L3336 HydrophobicContact CG2-CD1 4.12Å |
| 3332 | R | 71.7 | Confident | 83.4 | Confident | 136 Ų | 136 | 56.3 Ų | 56.3 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.6 | 172.7 | -169.3 | -177.1 | -81 | -176.9 | -3.1 | 107.3 | Q3334 Q3335 H3337 | R3332-Q3334 VanDerWaalsContact C-N 3.26Å; R3332-Q3334 PolarHBondContact O-N 2.85Å; R3332-Q3335 PolarHBondContact N-O 3.47Å; R3332-Q3335 PolarHBondContact O-N 3.4Å; R3332-Q3335 VanDerWaalsContact O-O 3.07Å; R3332-H3337 PolarHBondContact O-NE2 3.36Å |
| 3333 | D | 72.5 | Confident | 83.4 | Confident | 140 Ų | 140 | 56.9 Ų | 56.9 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.3 | 179.4 | -52.3 | -32.7 | 0 | 0 | 0 | 114.4 | Q3335 | D3333-Q3335 PolarHBondContact O-N 2.82Å; D3333-Q3335 VanDerWaalsContact O-N 3.1Å |
| 3334 | Q | 70.4 | Confident | 83.4 | Confident | 194 Ų | 194 | 57.7 Ų | 57.7 | 91% | 0.907 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.6 | -176.1 | -52.5 | 179.3 | 9.2 | 0 | 0 | 115.3 | R3332 | R3332-Q3334 VanDerWaalsContact C-N 3.26Å; R3332-Q3334 PolarHBondContact O-N 2.85Å |
| 3335 | Q | 74.7 | Confident | 83.4 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146.4 | 174.9 | -65.3 | -176 | -17.5 | 0 | 0 | 110.9 | V3331 R3332 D3333 H3337 L3431 | V3331-Q3335 WeakPolarHBondContact CA-O 3.32Å; R3332-Q3335 PolarHBondContact N-O 3.47Å; R3332-Q3335 PolarHBondContact O-N 3.4Å; R3332-Q3335 VanDerWaalsContact O-O 3.07Å; D3333-Q3335 PolarHBondContact O-N 2.82Å; D3333-Q3335 VanDerWaalsContact O-N 3.1Å; Q3335-H3337 PolarHBondContact O-CD2 2.86Å; Q3335-H3337 PolarHBondContact O-N 2.85Å; Q3335-L3431 HydrophobicContact CB-CD1 3.72Å; Q3335-L3431 HydrophobicContact CG-CD1 4.33Å |
| 3336 | L | 74.3 | Confident | 83.5 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 41% | 0.414 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.2 | 174.8 | -169.8 | 71.9 | 0 | 0 | 0 | 108.9 | D3329 V3331 V3432 | D3329-L3336 HydrophobicContact CB-CD1 4.03Å; V3331-L3336 HydrophobicContact CG2-CD1 4.12Å; L3336-V3432 HydrophobicContact CD2-CG2 4.32Å; L3336-V3432 HydrophobicContact CG-CG2 4.35Å; L3336-V3432 WeakPolarHBondContact O-CB 3.34Å; L3336-V3432 WeakPolarHBondContact O-CG2 3.4Å; L3336-V3432 PolarHBondContact O-N 3.27Å; L3336-V3432 VanDerWaalsContact O-N 3.09Å |
| 3337 | H | 77.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.8 | 173 | -62.8 | -92.1 | 0 | 0 | 0 | 110 | V3330 R3332 Q3335 L3429 V3430 L3431 | V3330-H3337 PolarHBondContact N-O 2.89Å; V3330-H3337 WeakPolarHBondContact O-CA 3.49Å; V3330-H3337 WeakPolarHBondContact O-CB 3.42Å; V3330-H3337 PolarHBondContact O-N 2.78Å; R3332-H3337 PolarHBondContact O-NE2 3.36Å; Q3335-H3337 PolarHBondContact O-CD2 2.86Å; Q3335-H3337 PolarHBondContact O-N 2.85Å; H3337-L3429 HydrophobicContact CB-CD1 3.76Å; H3337-L3429 HydrophobicContact CB-CG 4.19Å; H3337-V3430 CarbonylContact C-O 3.54Å; H3337-V3430 VanDerWaalsContact CA-O 3.28Å; H3337-V3430 WeakPolarHBondContact CA-O 3.43Å; H3337-L3431 WeakPolarHBondContact CE1-CD1 3.3Å |
| 3338 | T | 81.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 116.8 | 166.4 | -55.3 | 0 | 0 | 0 | 0 | 108.4 | L3261 R3328 D3329 V3340 V3430 | L3261-T3338 HydrophobicContact CD1-CG2 3.56Å; R3328-T3338 CarbonylContact O-C 3.52Å; R3328-T3338 WeakPolarHBondContact O-CA 3.29Å; D3329-T3338 PolarHBondContact OD1-OG1 3.46Å; D3329-T3338 VanDerWaalsContact OD1-OG1 3.1Å; T3338-V3340 HydrophobicContact CG2-CG2 3.97Å; T3338-V3430 PolarHBondContact N-O 2.84Å; T3338-V3430 PolarHBondContact O-N 2.74Å |
| 3339 | S | 85.9 | Confident | 83.6 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.3 | 173.2 | 167.9 | 0 | 0 | 0 | 0 | 108.8 | A3327 R3328 H3428 | A3327-S3339 WeakPolarHBondContact CA-O 3.18Å; R3328-S3339 PolarHBondContact N-O 3.49Å; R3328-S3339 PolarHBondContact NE-OG 3.33Å; R3328-S3339 PolarHBondContact O-N 3.43Å; S3339-H3428 CarbonylContact C-O 3.47Å; S3339-H3428 WeakPolarHBondContact CA-O 2.9Å |
| 3340 | V | 87.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | W3257 N3325 R3326 A3327 T3338 Q3342 H3428 | W3257-V3340 HydrophobicContact CG-CG2 4.34Å; N3325-V3340 VanDerWaalsContact OD1-CG1 3.29Å; N3325-V3340 WeakPolarHBondContact OD1-CG1 3.28Å; R3326-V3340 WeakPolarHBondContact O-CA 3.49Å; A3327-V3340 HydrophobicContact CB-CG2 4.1Å; T3338-V3340 HydrophobicContact CG2-CG2 3.97Å; V3340-Q3342 HydrophobicContact CG1-CG 4.26Å; V3340-H3428 HydrophobicContact CB-CB 4.24Å; V3340-H3428 PolarHBondContact N-O 2.9Å; V3340-H3428 PolarHBondContact O-CD2 2.84Å; V3340-H3428 PolarHBondContact O-N 2.78Å |
| 3341 | V | 90.1 | Very high | 82.9 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109 | N3325 R3326 V3343 | N3325-V3341 WeakPolarHBondContact CA-O 3.3Å; R3326-V3341 PolarHBondContact N-O 3.2Å; R3326-V3341 PolarHBondContact O-N 2.8Å; V3341-V3343 HydrophobicContact CG1-CG2 4.32Å |
| 3342 | Q | 92.1 | Very high | 82.5 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129 | 177 | -61.5 | 165.7 | -8 | 0 | 0 | 109.6 | F3323 R3324 V3340 I3425 M3426 H3428 D3566 | F3323-Q3342 HydrophobicContact CE2-CB 4.15Å; F3323-Q3342 HydrophobicContact CE2-CG 4.38Å; F3323-Q3342 HydrophobicContact CZ-CG 4.43Å; R3324-Q3342 CarbonylContact O-C 3.49Å; R3324-Q3342 WeakPolarHBondContact O-CA 3.48Å; V3340-Q3342 HydrophobicContact CG1-CG 4.26Å; Q3342-I3425 CarbonylContact O-C 3.56Å; Q3342-I3425 WeakPolarHBondContact O-CA 3.31Å; Q3342-M3426 HydrophobicContact CB-CB 4.22Å; Q3342-M3426 PolarHBondContact N-O 2.81Å; Q3342-M3426 PolarHBondContact O-N 2.8Å; Q3342-H3428 VanDerWaalsContact CD-NE2 3.34Å; Q3342-H3428 PolarHBondContact OE1-NE2 3.22Å; Q3342-D3566 PolarHBondContact NE2-OD1 2.9Å; Q3342-D3566 VanDerWaalsContact NE2-OD1 3.14Å; Q3342-D3566 PolarHBondContact NE2-OD2 2.89Å |
| 3343 | V | 93.3 | Very high | 82.3 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 17% | 0.17 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.8 | 176 | -178 | 0 | 0 | 0 | 0 | 108.7 | F3323 R3324 V3341 L3424 I3425 | F3323-V3343 CarbonylContact C-O 3.51Å; F3323-V3343 WeakPolarHBondContact CA-O 3.16Å; R3324-V3343 HydrophobicContact CB-CB 4.34Å; R3324-V3343 PolarHBondContact N-O 3.4Å; R3324-V3343 PolarHBondContact O-N 3.35Å; V3341-V3343 HydrophobicContact CG1-CG2 4.32Å; V3343-L3424 CarbonylContact C-O 3.49Å; V3343-L3424 WeakPolarHBondContact CA-O 3.33Å; V3343-I3425 HydrophobicContact CG1-CG1 4.19Å; V3343-I3425 HydrophobicContact CG2-CG1 4.23Å; V3343-I3425 HydrophobicContact CG2-CG2 4.23Å |
| 3344 | L | 94 | Very high | 82.1 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.3 | 173.7 | 179 | 71.5 | 0 | 0 | 0 | 109.5 | V3321 E3322 F3323 C3423 L3424 V3557 L3561 L3562 | V3321-L3344 HydrophobicContact CG1-CD1 3.63Å; E3322-L3344 CarbonylContact O-C 3.47Å; E3322-L3344 WeakPolarHBondContact O-CA 3.42Å; F3323-L3344 HydrophobicContact CB-CD1 4.27Å; F3323-L3344 HydrophobicContact CD2-CD1 4.46Å; L3344-C3423 CarbonylContact O-C 3.54Å; L3344-C3423 WeakPolarHBondContact O-CA 3.26Å; L3344-L3424 HydrophobicContact CB-CB 4.37Å; L3344-L3424 PolarHBondContact N-O 2.85Å; L3344-L3424 PolarHBondContact O-N 2.89Å; L3344-V3557 HydrophobicContact CD2-CG1 3.85Å; L3344-L3561 HydrophobicContact CD1-CD2 4.34Å; L3344-L3561 HydrophobicContact CD2-CD2 4.06Å; L3344-L3562 HydrophobicContact CB-CD2 4.01Å; L3344-L3562 HydrophobicContact CD2-CD2 4.17Å; L3344-L3562 HydrophobicContact CG-CD2 4.46Å |
| 3345 | T | 93.2 | Very high | 81.7 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.4 | 172.4 | -54.6 | 0 | 0 | 0 | 0 | 110 | V3321 E3322 R3347 V3422 | V3321-T3345 CarbonylContact C-O 3.56Å; V3321-T3345 WeakPolarHBondContact CA-O 3.38Å; E3322-T3345 PolarHBondContact N-O 3.04Å; E3322-T3345 PolarHBondContact O-N 3.47Å; T3345-R3347 HydrophobicContact CG2-CG 4.33Å; T3345-V3422 CarbonylContact C-O 3.57Å; T3345-V3422 VanDerWaalsContact CA-O 3.32Å; T3345-V3422 WeakPolarHBondContact CA-O 3.2Å |
| 3346 | C | 92.7 | Very high | 81.3 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131.6 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | A3320 R3421 V3422 | A3320-C3346 CarbonylContact O-C 3.53Å; C3346-R3421 CarbonylContact O-C 3.56Å; C3346-R3421 WeakPolarHBondContact O-CA 3.47Å; C3346-V3422 PolarHBondContact N-O 2.99Å; C3346-V3422 PolarHBondContact O-N 2.95Å |
| 3347 | R | 91.2 | Very high | 81.5 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 30% | 0.302 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.7 | 175.5 | -68.7 | 177.1 | 179.7 | 109.7 | -1.6 | 108.8 | A3320 T3345 F3420 R3421 | A3320-R3347 HydrophobicContact CB-CB 4.29Å; A3320-R3347 PolarHBondContact N-O 3.34Å; A3320-R3347 PolarHBondContact O-N 2.88Å; T3345-R3347 HydrophobicContact CG2-CG 4.33Å; R3347-F3420 WeakPolarHBondContact CA-O 3.26Å; R3347-R3421 HydrophobicContact CG-CB 4.27Å; R3347-R3421 HydrophobicContact CG-CG 3.93Å; R3347-R3421 VanDerWaalsContact NE-CZ 3.3Å; R3347-R3421 VanDerWaalsContact NE-NE 3.18Å |
| 3348 | L | 89.1 | Confident | 81.8 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115.7 | 173.5 | -167.8 | 74.3 | 0 | 0 | 0 | 107.8 | L3316 R3317 L3319 M3359 A3360 C3419 F3420 | L3316-L3348 HydrophobicContact CB-CD1 4.12Å; L3316-L3348 HydrophobicContact CD2-CD1 3.84Å; L3316-L3348 HydrophobicContact CD2-CD2 4.27Å; R3317-L3348 WeakPolarHBondContact O-CD1 3.49Å; L3319-L3348 HydrophobicContact CB-CD1 4.42Å; L3319-L3348 HydrophobicContact CD1-CD1 4.42Å; L3348-M3359 HydrophobicContact CD2-CB 3.56Å; L3348-M3359 HydrophobicContact CG-CB 3.72Å; L3348-A3360 HydrophobicContact CD2-CB 3.56Å; L3348-C3419 VanDerWaalsContact O-CA 3.29Å; L3348-C3419 WeakPolarHBondContact O-CA 3.39Å; L3348-F3420 HydrophobicContact CB-CD1 3.73Å; L3348-F3420 HydrophobicContact CB-CE1 3.64Å; L3348-F3420 HydrophobicContact CB-CG 4.36Å; L3348-F3420 HydrophobicContact CB-CZ 4.19Å; L3348-F3420 HydrophobicContact CD2-CD1 3.85Å; L3348-F3420 HydrophobicContact CD2-CE1 3.58Å; L3348-F3420 HydrophobicContact CG-CD1 4.45Å; L3348-F3420 HydrophobicContact CG-CE1 4.22Å; L3348-F3420 PolarHBondContact N-O 2.8Å; L3348-F3420 PolarHBondContact O-N 3.05Å; L3348-F3420 VanDerWaalsContact O-N 3.17Å |
| 3349 | G | 83.6 | Confident | 81.9 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 93.7 | 167.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q3318 | Q3318-G3349 PolarHBondContact O-N 2.84Å; Q3318-G3349 VanDerWaalsContact O-N 3.09Å |
| 3350 | H | 77 | Confident | 82.1 | Confident | 81 Ų | 81 | 47.5 Ų | 47.5 | 38% | 0.375 | 26% | 0.262 | S | S | . | . | trans | -106.3 | 158 | 174.5 | -66.4 | 75.1 | 0 | 0 | 0 | 109.3 | Q3318 S3352 S3353 | Q3318-H3350 PolarHBondContact OE1-ND1 2.76Å; H3350-S3352 PolarHBondContact O-N 2.83Å; H3350-S3353 PolarHBondContact N-OG 3.18Å; H3350-S3353 PolarHBondContact O-N 2.78Å; H3350-S3353 PolarHBondContact O-OG 2.77Å | ||
| 3351 | K | 69.1 | Low | 82.3 | Confident | 196 Ų | 196 | 47.3 Ų | 47.3 | 85% | 0.852 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.5 | 174.8 | -66.5 | -172.2 | 176.1 | -172.3 | 0 | 113.8 | ||
| 3352 | S | 69.9 | Low | 82.4 | Confident | 109 Ų | 109 | 46.8 Ų | 46.8 | 76% | 0.762 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -6.3 | 179.3 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | H3350 | H3350-S3352 PolarHBondContact O-N 2.83Š|
| 3353 | S | 67.5 | Low | 82.4 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -74.9 | 139.2 | 174.6 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | H3350 C3419 | H3350-S3353 PolarHBondContact N-OG 3.18Å; H3350-S3353 PolarHBondContact O-N 2.78Å; H3350-S3353 PolarHBondContact O-OG 2.77Å; S3353-C3419 PolarHBondContact OG-SG 3.04Å |
| 3354 | P | 68.9 | Low | 82.3 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | trans | -58.7 | 140 | 178.1 | 24.4 | -32.5 | 0 | 0 | 0 | 109.7 | D3356 N3357 | P3354-D3356 PolarHBondContact O-N 3.48Å; P3354-D3356 VanDerWaalsContact O-N 3.11Å; P3354-N3357 HydrophobicContact CG-CB 4.14Å; P3354-N3357 WeakPolarHBondContact CG-ND2 3.14Å; P3354-N3357 WeakPolarHBondContact O-CB 3.41Å; P3354-N3357 PolarHBondContact O-N 2.76Å | ||
| 3355 | P | 62.2 | Low | 82.1 | Confident | 73 Ų | 73 | 46.2 Ų | 46.2 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | -170.9 | 23.4 | -33.8 | 0 | 0 | 0 | 113.2 | ||
| 3356 | D | 66.4 | Low | 81.8 | Confident | 120 Ų | 120 | 49.4 Ų | 49.4 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4 | -179 | -65.3 | -24 | 0 | 0 | 0 | 114.1 | P3354 I3358 N3455 | P3354-D3356 PolarHBondContact O-N 3.48Å; P3354-D3356 VanDerWaalsContact O-N 3.11Å; D3356-I3358 PolarHBondContact O-N 3.18Å; D3356-N3455 PolarHBondContact OD1-ND2 2.61Å |
| 3357 | N | 77.5 | Confident | 81.4 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | trans | -68.6 | 124.2 | 177.7 | -99.1 | -4.5 | 0 | 0 | 0 | 110.5 | P3354 M3359 | P3354-N3357 HydrophobicContact CG-CB 4.14Å; P3354-N3357 WeakPolarHBondContact CG-ND2 3.14Å; P3354-N3357 WeakPolarHBondContact O-CB 3.41Å; P3354-N3357 PolarHBondContact O-N 2.76Å; N3357-M3359 HydrophobicContact CB-SD 4.1Å; N3357-M3359 WeakPolarHBondContact O-CG 3.34Å; N3357-M3359 PolarHBondContact O-N 2.87Å | ||
| 3358 | I | 83.6 | Confident | 80.7 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | trans | -66.7 | 119.3 | 169 | -59 | 163.1 | 0 | 0 | 0 | 107.4 | D3356 A3360 V3361 F3394 K3416 | D3356-I3358 PolarHBondContact O-N 3.18Å; I3358-A3360 WeakPolarHBondContact CG2-O 3.34Å; I3358-V3361 HydrophobicContact CG2-CG2 3.34Å; I3358-F3394 HydrophobicContact CB-CE1 4.16Å; I3358-F3394 HydrophobicContact CG2-CE1 4.21Å; I3358-F3394 HydrophobicContact CG2-CZ 4.25Å; I3358-F3394 VanDerWaalsContact O-CE1 3.32Å; I3358-F3394 WeakPolarHBondContact O-CE1 3.15Å; I3358-K3416 HydrophobicContact CD1-CB 4.37Å; I3358-K3416 HydrophobicContact CD1-CD 3.79Å; I3358-K3416 HydrophobicContact CD1-CG 4.31Å; I3358-K3416 HydrophobicContact CG1-CB 4.36Å; I3358-K3416 HydrophobicContact CG2-CB 3.96Å; I3358-K3416 HydrophobicContact CG2-CG 4.41Å | ||
| 3359 | M | 85.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | trans | -103.3 | -26.5 | -178.1 | -62.2 | -54.7 | -90.1 | 0 | 0 | 112.6 | R3317 Q3318 L3348 N3357 I3417 C3419 | R3317-M3359 HydrophobicContact CB-CE 4.28Å; R3317-M3359 WeakPolarHBondContact CB-O 3.5Å; R3317-M3359 HydrophobicContact CB-SD 4.42Å; R3317-M3359 PolarHBondContact N-O 2.83Å; Q3318-M3359 HydrophobicContact CB-CE 3.99Å; Q3318-M3359 HydrophobicContact CG-CE 4.06Å; Q3318-M3359 VanDerWaalsContact OE1-CE 3.23Å; L3348-M3359 HydrophobicContact CD2-CB 3.56Å; L3348-M3359 HydrophobicContact CG-CB 3.72Å; N3357-M3359 HydrophobicContact CB-SD 4.1Å; N3357-M3359 WeakPolarHBondContact O-CG 3.34Å; N3357-M3359 PolarHBondContact O-N 2.87Å; M3359-I3417 PolarHBondContact N-O 3.27Å; M3359-C3419 HydrophobicContact CG-CB 4.4Å; M3359-C3419 WeakPolarHBondContact CG-SG 3.33Å | ||
| 3360 | A | 90.2 | Very high | 79.5 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H3315 L3316 L3348 I3358 I3417 | H3315-A3360 CarbonylContact O-C 3.56Å; H3315-A3360 WeakPolarHBondContact O-CA 3.05Å; H3315-A3360 WeakPolarHBondContact O-CB 3.34Å; L3316-A3360 HydrophobicContact CD2-CB 3.61Å; L3316-A3360 HydrophobicContact CG-CB 4.27Å; L3348-A3360 HydrophobicContact CD2-CB 3.56Å; I3358-A3360 WeakPolarHBondContact CG2-O 3.34Å; A3360-I3417 HydrophobicContact CB-CB 4.11Å; A3360-I3417 HydrophobicContact CB-CD1 4.34Å; A3360-I3417 PolarHBondContact N-O 2.81Å; A3360-I3417 PolarHBondContact O-N 2.8Å |
| 3361 | V | 91.5 | Very high | 79.5 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.7 | -179.8 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | H3315 I3358 L3363 V3393 F3394 F3415 K3416 | H3315-V3361 PolarHBondContact N-O 2.81Å; H3315-V3361 PolarHBondContact O-N 3.01Å; I3358-V3361 HydrophobicContact CG2-CG2 3.34Å; V3361-L3363 HydrophobicContact CG1-CD2 3.29Å; V3361-L3363 HydrophobicContact CG1-CG 3.65Å; V3361-V3393 HydrophobicContact CG2-CG1 4.07Å; V3361-F3394 HydrophobicContact CB-CZ 4.49Å; V3361-F3394 HydrophobicContact CG2-CE1 4.5Å; V3361-F3394 HydrophobicContact CG2-CE2 4Å; V3361-F3394 HydrophobicContact CG2-CZ 3.56Å; V3361-F3415 VanDerWaalsContact CA-O 3.27Å; V3361-F3415 WeakPolarHBondContact CA-O 3.3Å; V3361-K3416 HydrophobicContact CG2-CG 4.39Å |
| 3362 | V | 92.4 | Very high | 80.1 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.7 | 165.8 | -171.1 | 0 | 0 | 0 | 0 | 107.2 | L3313 F3314 L3414 F3415 L3469 | L3313-V3362 CarbonylContact O-C 3.49Å; L3313-V3362 WeakPolarHBondContact O-CA 3.37Å; F3314-V3362 HydrophobicContact CD1-CB 4.4Å; F3314-V3362 HydrophobicContact CD1-CG1 3.77Å; F3314-V3362 HydrophobicContact CD1-CG2 3.83Å; F3314-V3362 HydrophobicContact CE1-CG1 3.63Å; F3314-V3362 HydrophobicContact CE1-CG2 4.23Å; F3314-V3362 HydrophobicContact CZ-CG1 4.34Å; V3362-L3414 HydrophobicContact CB-CB 4.23Å; V3362-L3414 HydrophobicContact CG1-CB 4.33Å; V3362-L3414 HydrophobicContact CG1-CD1 3.88Å; V3362-L3414 WeakPolarHBondContact O-CA 3.47Å; V3362-L3414 WeakPolarHBondContact O-CB 3.35Å; V3362-L3414 PolarHBondContact O-N 2.78Å; V3362-F3415 HydrophobicContact CB-CB 4.17Å; V3362-F3415 HydrophobicContact CB-CD2 4.05Å; V3362-F3415 HydrophobicContact CG2-CB 4.09Å; V3362-F3415 HydrophobicContact CG2-CD2 4.18Å; V3362-F3415 PolarHBondContact N-O 2.88Å; V3362-F3415 PolarHBondContact O-N 3.35Å; V3362-L3469 HydrophobicContact CG1-CD1 4.49Å |
| 3363 | L | 90.9 | Very high | 80.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.6 | 178.5 | -58.1 | 179.6 | 0 | 0 | 0 | 110 | A3312 L3313 V3361 P3389 V3393 A3413 | A3312-L3363 CarbonylContact C-O 3.59Å; A3312-L3363 VanDerWaalsContact CA-O 3.3Å; A3312-L3363 WeakPolarHBondContact CA-O 3.3Å; L3313-L3363 HydrophobicContact CB-CB 4.33Å; L3313-L3363 HydrophobicContact CD2-CD1 4.35Å; L3313-L3363 PolarHBondContact N-O 2.78Å; L3313-L3363 PolarHBondContact O-N 2.79Å; V3361-L3363 HydrophobicContact CG1-CD2 3.29Å; V3361-L3363 HydrophobicContact CG1-CG 3.65Å; L3363-P3389 HydrophobicContact CD1-CB 4.01Å; L3363-V3393 HydrophobicContact CD1-CG2 3.99Å; L3363-V3393 HydrophobicContact CD2-CG2 4.13Å; L3363-A3413 HydrophobicContact CD2-CB 3.59Å |
| 3364 | R | 91.7 | Very high | 80.8 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124 | 158.6 | 175.9 | -175.8 | -175.8 | -163.3 | 2.7 | 107.3 | M3411 S3412 L3414 S3465 F3468 | R3364-M3411 CarbonylContact O-C 3.55Å; R3364-M3411 WeakPolarHBondContact O-CA 3.12Å; R3364-S3412 PolarHBondContact N-O 2.76Å; R3364-S3412 PolarHBondContact O-N 3.28Å; R3364-L3414 HydrophobicContact CB-CD1 4.27Å; R3364-L3414 HydrophobicContact CB-CG 4.32Å; R3364-S3465 PolarHBondContact NH1-OG 2.83Å; R3364-F3468 HydrophobicContact CB-CD1 4.3Å; R3364-F3468 HydrophobicContact CB-CE1 4.34Å; R3364-F3468 HydrophobicContact CG-CD1 3.79Å; R3364-F3468 HydrophobicContact CG-CE1 3.85Å; R3364-F3468 HydrophobicContact CG-CG 4.48Å |
| 3365 | C | 89.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136 | 179.9 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | Q3310 W3311 V3409 N3410 | Q3310-C3365 CarbonylContact C-O 3.57Å; Q3310-C3365 VanDerWaalsContact CA-O 3.28Å; Q3310-C3365 WeakPolarHBondContact CA-O 3.48Å; W3311-C3365 HydrophobicContact CD2-CB 3.56Å; W3311-C3365 HydrophobicContact CE3-CB 4.15Å; W3311-C3365 HydrophobicContact CG-CB 4Å; W3311-C3365 HydrophobicContact CH2-CB 4.06Å; W3311-C3365 HydrophobicContact CZ2-CB 3.47Å; W3311-C3365 VanDerWaalsContact CZ2-CB 3.47Å; W3311-C3365 HydrophobicContact CZ3-CB 4.37Å; W3311-C3365 PolarHBondContact N-O 3.47Å; W3311-C3365 PolarHBondContact O-N 2.77Å; C3365-V3409 HydrophobicContact CB-CG1 3.86Å; C3365-N3410 CarbonylContact C-O 3.59Å; C3365-N3410 WeakPolarHBondContact CA-O 3.45Å |
| 3366 | Q | 88 | Confident | 81.9 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 38% | 0.379 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.7 | 176.9 | 179.5 | 169.4 | -15.5 | 0 | 0 | 110.2 | Q3309 Q3310 V3409 N3410 | Q3309-Q3366 WeakPolarHBondContact O-CA 3.15Å; Q3310-Q3366 HydrophobicContact CG-CB 4.13Å; Q3310-Q3366 HydrophobicContact CG-CG 4.05Å; Q3366-V3409 WeakPolarHBondContact O-CG1 3.31Å; Q3366-N3410 HydrophobicContact CB-CB 4.22Å; Q3366-N3410 PolarHBondContact N-O 3.37Å; Q3366-N3410 PolarHBondContact O-N 2.79Å; Q3366-N3410 VanDerWaalsContact O-N 3.14Å |
| 3367 | R | 83.7 | Confident | 82.6 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | trans | -57.6 | 136.6 | -178.7 | 178.2 | 179 | -134.6 | -165.3 | -107.9 | 111.4 | S3306 Q3309 W3311 W3371 Y3384 | S3306-R3367 PolarHBondContact O-NH1 2.79Å; Q3309-R3367 WeakPolarHBondContact O-CB 3.34Å; Q3309-R3367 PolarHBondContact O-N 2.72Å; W3311-R3367 HydrophobicContact CZ3-CB 4.12Å; R3367-W3371 HydrophobicContact CG-CE3 4.23Å; R3367-W3371 VanDerWaalsContact CZ-CE3 3.45Å; R3367-W3371 VanDerWaalsContact NE-CE3 3.26Å; R3367-Y3384 WeakPolarHBondContact CG-OH 3.32Å | ||
| 3368 | S | 75.5 | Confident | 83 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | trans | -100.5 | -168.8 | 166.7 | 79.8 | 0 | 0 | 0 | 0 | 111.6 | Y3370 R3408 | S3368-Y3370 VanDerWaalsContact C-N 3.28Å; S3368-Y3370 PolarHBondContact O-N 2.89Å; S3368-R3408 WeakPolarHBondContact CB-O 3.29Å; S3368-R3408 PolarHBondContact OG-O 3.07Å | ||
| 3369 | Q | 71.4 | Confident | 83.1 | Confident | 164 Ų | 164 | 60.6 Ų | 60.6 | 77% | 0.766 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -61.4 | -25.9 | -175.9 | -68.3 | 177.2 | -5.9 | 0 | 0 | 115.1 | W3371 | Q3369-W3371 WeakPolarHBondContact O-CZ3 3.5Š|
| 3370 | Y | 76.4 | Confident | 83.1 | Confident | 159 Ų | 159 | 63.8 Ų | 63.8 | 62% | 0.624 | 30% | 0.302 | S | S | * | . | trans | -116.2 | 129.9 | -176.8 | -65.1 | -77.7 | 0 | 0 | 0 | 112 | S3368 Y3384 | S3368-Y3370 VanDerWaalsContact C-N 3.28Å; S3368-Y3370 PolarHBondContact O-N 2.89Å; Y3370-Y3384 WeakPolarHBondContact O-CE2 3.39Å | ||
| 3371 | W | 77.8 | Confident | 83 | Confident | 115 Ų | 115 | 64 Ų | 64 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | trans | -142.5 | 152.9 | 175.9 | 60 | 91 | 0 | 0 | 0 | 110.9 | R3367 Q3369 Y3384 | R3367-W3371 HydrophobicContact CG-CE3 4.23Å; R3367-W3371 VanDerWaalsContact CZ-CE3 3.45Å; R3367-W3371 VanDerWaalsContact NE-CE3 3.26Å; Q3369-W3371 WeakPolarHBondContact O-CZ3 3.5Å; W3371-Y3384 HydrophobicContact CB-CE2 4.17Å | ||
| 3372 | P | 80.9 | Confident | 82.9 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | trans | -62.4 | 148.1 | 178.1 | -20.9 | 32.1 | 0 | 0 | 0 | 112.6 | W3381 Y3384 Y3407 | P3372-W3381 HydrophobicContact CB-CD2 3.89Å; P3372-W3381 HydrophobicContact CB-CE3 4.36Å; P3372-W3381 HydrophobicContact CB-CG 4.22Å; P3372-W3381 HydrophobicContact CB-CZ2 4.07Å; P3372-W3381 HydrophobicContact CG-CD2 4.15Å; P3372-W3381 HydrophobicContact CG-CE3 4.26Å; P3372-W3381 HydrophobicContact CG-CG 4.47Å; P3372-W3381 WeakPolarHBondContact O-CH2 3.26Å; P3372-W3381 VanDerWaalsContact O-CZ2 3.25Å; P3372-W3381 WeakPolarHBondContact O-CZ2 3.48Å; P3372-Y3384 HydrophobicContact CG-CD1 4.34Å; P3372-Y3384 HydrophobicContact CG-CG 3.96Å; P3372-Y3407 HydrophobicContact CG-CE1 4.14Å | ||
| 3373 | T | 80.2 | Confident | 82.6 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | trans | -81.6 | 168.3 | 177.9 | 68.4 | 0 | 0 | 0 | 0 | 111 | L3375 S3376 W3381 | T3373-L3375 PolarHBondContact O-N 2.78Å; T3373-L3375 PolarHBondContact OG1-N 2.89Å; T3373-S3376 PolarHBondContact N-OG 3.02Å; T3373-S3376 VanDerWaalsContact O-CB 3.22Å; T3373-S3376 WeakPolarHBondContact O-CB 3.2Å; T3373-S3376 PolarHBondContact O-N 2.69Å; T3373-S3376 VanDerWaalsContact O-N 3.08Å; T3373-S3376 PolarHBondContact OG1-N 2.81Å; T3373-S3376 PolarHBondContact OG1-OG 3.15Å; T3373-W3381 PolarHBondContact O-NE1 3.2Å | ||
| 3374 | Q | 73.2 | Confident | 82.4 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.8 | 175.1 | -69.7 | -174.2 | -13.1 | 0 | 0 | 113.4 | K3126 | K3126-Q3374 PolarHBondContact NZ-O 3.23Š|
| 3375 | L | 74.2 | Confident | 82.3 | Confident | 166 Ų | 166 | 65.5 Ų | 65.5 | 87% | 0.869 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.6 | 177.2 | -63 | 172.5 | 0 | 0 | 0 | 113.2 | T3373 | T3373-L3375 PolarHBondContact O-N 2.78Å; T3373-L3375 PolarHBondContact OG1-N 2.89Å |
| 3376 | S | 78.9 | Confident | 82.1 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -61.2 | 148.4 | 178.1 | -78.7 | 0 | 0 | 0 | 0 | 112 | T3373 E3380 | T3373-S3376 PolarHBondContact N-OG 3.02Å; T3373-S3376 VanDerWaalsContact O-CB 3.22Å; T3373-S3376 WeakPolarHBondContact O-CB 3.2Å; T3373-S3376 PolarHBondContact O-N 2.69Å; T3373-S3376 VanDerWaalsContact O-N 3.08Å; T3373-S3376 PolarHBondContact OG1-N 2.81Å; T3373-S3376 PolarHBondContact OG1-OG 3.15Å; S3376-E3380 WeakPolarHBondContact CB-OE2 3.14Å; S3376-E3380 PolarHBondContact OG-OE2 3.42Å |
| 3377 | M | 81.7 | Confident | 82 | Confident | 137 Ų | 137 | 64.2 Ų | 64.2 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | trans | -65.1 | 152.3 | 176.6 | -59.5 | -167.5 | -152.2 | 0 | 0 | 110.8 | K3379 E3380 W3381 | M3377-K3379 PolarHBondContact O-N 3.23Å; M3377-K3379 VanDerWaalsContact O-N 3.16Å; M3377-E3380 HydrophobicContact CB-CG 4.45Å; M3377-E3380 WeakPolarHBondContact O-CB 3.43Å; M3377-E3380 PolarHBondContact O-N 3.46Å; M3377-W3381 PolarHBondContact O-N 2.71Å | ||
| 3378 | V | 85.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.8 | -38.2 | 178.1 | 177 | 0 | 0 | 0 | 0 | 111.7 | M3092 K3126 E3380 W3381 F3382 | M3092-V3378 HydrophobicContact CE-CG2 4.41Å; M3092-V3378 HydrophobicContact SD-CG2 4.2Å; K3126-V3378 HydrophobicContact CB-CG2 3.91Å; V3378-E3380 VanDerWaalsContact C-N 3.34Å; V3378-E3380 PolarHBondContact O-N 2.85Å; V3378-W3381 WeakPolarHBondContact O-CB 3.45Å; V3378-W3381 PolarHBondContact O-N 3.36Å; V3378-F3382 HydrophobicContact CG1-CD2 3.67Å; V3378-F3382 HydrophobicContact CG1-CE2 3.36Å; V3378-F3382 WeakPolarHBondContact O-CD2 3.33Å; V3378-F3382 PolarHBondContact O-N 2.83Å; V3378-F3382 VanDerWaalsContact O-N 3.17Å |
| 3379 | K | 86 | Confident | 82.3 | Confident | 123 Ų | 123 | 62.1 Ų | 62.1 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 176.9 | -65.6 | -175.4 | -178.3 | -179.7 | 0 | 113.6 | E3124 M3377 W3381 F3382 Q3383 | E3124-K3379 WeakPolarHBondContact OE1-CE 3.38Å; E3124-K3379 IonicContact OE1-NZ 3.99Å; M3377-K3379 PolarHBondContact O-N 3.23Å; M3377-K3379 VanDerWaalsContact O-N 3.16Å; K3379-W3381 VanDerWaalsContact C-N 3.33Å; K3379-F3382 PolarHBondContact O-N 2.99Å; K3379-Q3383 WeakPolarHBondContact O-CB 3.25Å; K3379-Q3383 PolarHBondContact O-N 3.08Å |
| 3380 | E | 85.7 | Confident | 82.9 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 178.7 | -64.7 | 179.4 | 176.8 | 0 | 0 | 111.2 | S3376 M3377 V3378 Q3383 Y3384 | S3376-E3380 WeakPolarHBondContact CB-OE2 3.14Å; S3376-E3380 PolarHBondContact OG-OE2 3.42Å; M3377-E3380 HydrophobicContact CB-CG 4.45Å; M3377-E3380 WeakPolarHBondContact O-CB 3.43Å; M3377-E3380 PolarHBondContact O-N 3.46Å; V3378-E3380 VanDerWaalsContact C-N 3.34Å; V3378-E3380 PolarHBondContact O-N 2.85Å; E3380-Q3383 PolarHBondContact O-N 2.82Å; E3380-Y3384 WeakPolarHBondContact O-CB 3.38Å; E3380-Y3384 PolarHBondContact O-N 3.46Å |
| 3381 | W | 88 | Confident | 83 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.038 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 174.7 | -80.4 | 99.4 | 0 | 0 | 0 | 112.5 | M3136 L3192 F3305 P3372 T3373 M3377 V3378 K3379 Y3384 A3385 | M3136-W3381 HydrophobicContact CE-CB 4.09Å; M3136-W3381 HydrophobicContact CE-CD2 3.64Å; M3136-W3381 HydrophobicContact CE-CE3 4.06Å; M3136-W3381 HydrophobicContact CE-CG 3.65Å; M3136-W3381 HydrophobicContact SD-CB 3.78Å; M3136-W3381 HydrophobicContact SD-CD2 4.33Å; M3136-W3381 HydrophobicContact SD-CG 3.69Å; L3192-W3381 HydrophobicContact CD1-CB 3.9Å; F3305-W3381 HydrophobicContact CB-CH2 3.81Å; F3305-W3381 HydrophobicContact CB-CZ3 3.88Å; F3305-W3381 HydrophobicContact CG-CZ3 4.42Å; P3372-W3381 HydrophobicContact CB-CD2 3.89Å; P3372-W3381 HydrophobicContact CB-CE3 4.36Å; P3372-W3381 HydrophobicContact CB-CG 4.22Å; P3372-W3381 HydrophobicContact CB-CZ2 4.07Å; P3372-W3381 HydrophobicContact CG-CD2 4.15Å; P3372-W3381 HydrophobicContact CG-CE3 4.26Å; P3372-W3381 HydrophobicContact CG-CG 4.47Å; P3372-W3381 WeakPolarHBondContact O-CH2 3.26Å; P3372-W3381 VanDerWaalsContact O-CZ2 3.25Å; P3372-W3381 WeakPolarHBondContact O-CZ2 3.48Å; T3373-W3381 PolarHBondContact O-NE1 3.2Å; M3377-W3381 PolarHBondContact O-N 2.71Å; V3378-W3381 WeakPolarHBondContact O-CB 3.45Å; V3378-W3381 PolarHBondContact O-N 3.36Å; K3379-W3381 VanDerWaalsContact C-N 3.33Å; W3381-Y3384 HydrophobicContact CE3-CD1 4.47Å; W3381-Y3384 PolarHBondContact O-N 3.01Å; W3381-A3385 VanDerWaalsContact O-CB 3.31Å; W3381-A3385 WeakPolarHBondContact O-CB 3.43Å; W3381-A3385 PolarHBondContact O-N 2.75Å |
| 3382 | F | 89.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 174.8 | -76.3 | -65.2 | 0 | 0 | 0 | 112.7 | M3136 F3138 E3190 L3192 V3378 K3379 Y3384 C3386 S3387 | M3136-F3382 HydrophobicContact CB-CE2 4.26Å; M3136-F3382 HydrophobicContact CB-CZ 4.13Å; F3138-F3382 HydrophobicContact CB-CD2 3.62Å; F3138-F3382 HydrophobicContact CB-CE1 4.36Å; F3138-F3382 HydrophobicContact CB-CE2 3.31Å; F3138-F3382 HydrophobicContact CB-CG 4.28Å; F3138-F3382 HydrophobicContact CB-CZ 3.73Å; F3138-F3382 HydrophobicContact CG-CD2 4.37Å; F3138-F3382 HydrophobicContact CG-CE2 4.45Å; E3190-F3382 VanDerWaalsContact C-CE1 3.41Å; E3190-F3382 HydrophobicContact CB-CD1 3.49Å; E3190-F3382 VanDerWaalsContact CB-CD1 3.49Å; E3190-F3382 HydrophobicContact CB-CE1 3.4Å; E3190-F3382 HydrophobicContact CB-CG 4.41Å; E3190-F3382 HydrophobicContact CB-CZ 4.25Å; E3190-F3382 HydrophobicContact CG-CD1 4.49Å; E3190-F3382 VanDerWaalsContact O-CE1 3.31Å; E3190-F3382 WeakPolarHBondContact O-CE1 3.46Å; E3190-F3382 VanDerWaalsContact O-CZ 3.26Å; E3190-F3382 WeakPolarHBondContact O-CZ 3.34Å; E3190-F3382 WeakPolarHBondContact OE2-CD1 3.36Å; L3192-F3382 HydrophobicContact CD1-CD1 4.37Å; L3192-F3382 HydrophobicContact CD1-CE1 4.22Å; L3192-F3382 HydrophobicContact CD2-CD1 4.1Å; L3192-F3382 HydrophobicContact CD2-CE1 3.91Å; L3192-F3382 HydrophobicContact CG-CD1 4.1Å; L3192-F3382 HydrophobicContact CG-CE1 3.62Å; L3192-F3382 HydrophobicContact CG-CZ 4.09Å; V3378-F3382 HydrophobicContact CG1-CD2 3.67Å; V3378-F3382 HydrophobicContact CG1-CE2 3.36Å; V3378-F3382 WeakPolarHBondContact O-CD2 3.33Å; V3378-F3382 PolarHBondContact O-N 2.83Å; V3378-F3382 VanDerWaalsContact O-N 3.17Å; K3379-F3382 PolarHBondContact O-N 2.99Å; F3382-Y3384 VanDerWaalsContact C-N 3.31Å; F3382-Y3384 PolarHBondContact O-N 2.8Å; F3382-C3386 WeakPolarHBondContact O-CA 3.39Å; F3382-C3386 WeakPolarHBondContact O-CB 3.44Å; F3382-C3386 PolarHBondContact O-N 2.63Å; F3382-S3387 PolarHBondContact O-N 2.86Å |
| 3383 | Q | 86.3 | Confident | 82.5 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -60.6 | -41.4 | 173.3 | -174.8 | 175.3 | -3.3 | 0 | 0 | 111.9 | K3379 E3380 A3388 N3405 | K3379-Q3383 WeakPolarHBondContact O-CB 3.25Å; K3379-Q3383 PolarHBondContact O-N 3.08Å; E3380-Q3383 PolarHBondContact O-N 2.82Å; Q3383-A3388 WeakPolarHBondContact O-CB 3.24Å; Q3383-A3388 PolarHBondContact O-N 2.69Å; Q3383-N3405 PolarHBondContact NE2-OD1 2.87Å |
| 3384 | Y | 87 | Confident | 82.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -69.8 | -50.6 | 176.8 | 170.3 | -104.3 | 0 | 0 | 0 | 113.2 | W3311 R3367 Y3370 W3371 P3372 E3380 W3381 F3382 P3389 Y3407 V3409 | W3311-Y3384 AromaticContact CH2-CE1 3.74Å; W3311-Y3384 HydrophobicContact CH2-CE1 3.74Å; W3311-Y3384 HydrophobicContact CH2-CE2 4.32Å; W3311-Y3384 AromaticContact CH2-CZ 3.55Å; W3311-Y3384 WeakPolarHBondContact CH2-OH 3.27Å; W3311-Y3384 HydrophobicContact CZ2-CE1 4.18Å; W3311-Y3384 HydrophobicContact CZ3-CE1 4.17Å; W3311-Y3384 WeakPolarHBondContact CZ3-OH 3.35Å; R3367-Y3384 WeakPolarHBondContact CG-OH 3.32Å; Y3370-Y3384 WeakPolarHBondContact O-CE2 3.39Å; W3371-Y3384 HydrophobicContact CB-CE2 4.17Å; P3372-Y3384 HydrophobicContact CG-CD1 4.34Å; P3372-Y3384 HydrophobicContact CG-CG 3.96Å; E3380-Y3384 WeakPolarHBondContact O-CB 3.38Å; E3380-Y3384 PolarHBondContact O-N 3.46Å; W3381-Y3384 HydrophobicContact CE3-CD1 4.47Å; W3381-Y3384 PolarHBondContact O-N 3.01Å; F3382-Y3384 VanDerWaalsContact C-N 3.31Å; F3382-Y3384 PolarHBondContact O-N 2.8Å; Y3384-P3389 WeakPolarHBondContact O-CD 3.33Å; Y3384-Y3407 AromaticContact CD2-CD1 3.55Å; Y3384-Y3407 HydrophobicContact CD2-CD1 3.55Å; Y3384-Y3407 HydrophobicContact CD2-CE1 4.25Å; Y3384-Y3407 AromaticContact CD2-CG 3.72Å; Y3384-Y3407 HydrophobicContact CD2-CG 3.72Å; Y3384-Y3407 HydrophobicContact CE2-CD1 4.28Å; Y3384-Y3407 HydrophobicContact CG-CD1 4.41Å; Y3384-Y3407 HydrophobicContact CG-CG 4.47Å; Y3384-V3409 HydrophobicContact CD2-CG2 4.45Å; Y3384-V3409 HydrophobicContact CE2-CG2 4.11Å |
| 3385 | A | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -86.2 | -30.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | L3192 A3298 F3300 W3311 W3381 | L3192-A3385 HydrophobicContact CD1-CB 4.23Å; L3192-A3385 HydrophobicContact CD2-CB 3.6Å; A3298-A3385 HydrophobicContact CB-CB 4.45Å; F3300-A3385 HydrophobicContact CE2-CB 4.45Å; F3300-A3385 HydrophobicContact CZ-CB 4.07Å; W3311-A3385 PolarHBondContact NE1-O 3.09Å; W3381-A3385 VanDerWaalsContact O-CB 3.31Å; W3381-A3385 WeakPolarHBondContact O-CB 3.43Å; W3381-A3385 PolarHBondContact O-N 2.75Å |
| 3386 | C | 87 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -112.7 | -60.7 | -176.9 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | F3382 A3388 P3389 L3390 | F3382-C3386 WeakPolarHBondContact O-CA 3.39Å; F3382-C3386 WeakPolarHBondContact O-CB 3.44Å; F3382-C3386 PolarHBondContact O-N 2.63Å; C3386-A3388 PolarHBondContact O-N 2.61Å; C3386-P3389 WeakPolarHBondContact O-CD 3.32Å; C3386-L3390 HydrophobicContact CB-CD1 4.44Å; C3386-L3390 WeakPolarHBondContact O-CB 3.22Å; C3386-L3390 WeakPolarHBondContact O-CD1 3.33Å; C3386-L3390 WeakPolarHBondContact O-CG 3.18Å; C3386-L3390 PolarHBondContact O-N 3.31Å; C3386-L3390 VanDerWaalsContact O-N 3.08Å |
| 3387 | S | 84.3 | Confident | 79.2 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -66.1 | -41.8 | -169.1 | -45.7 | 0 | 0 | 0 | 0 | 113.4 | F3382 L3390 S3391 | F3382-S3387 PolarHBondContact O-N 2.86Å; S3387-L3390 PolarHBondContact O-N 3.16Å; S3387-S3391 WeakPolarHBondContact O-CB 3.14Å; S3387-S3391 PolarHBondContact O-N 3.13Å |
| 3388 | A | 83 | Confident | 77.5 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -53.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q3383 C3386 L3390 S3391 | Q3383-A3388 WeakPolarHBondContact O-CB 3.24Å; Q3383-A3388 PolarHBondContact O-N 2.69Å; C3386-A3388 PolarHBondContact O-N 2.61Å; A3388-L3390 VanDerWaalsContact C-N 3.33Å; A3388-L3390 PolarHBondContact O-N 3.4Å; A3388-S3391 PolarHBondContact O-N 3.04Å; A3388-S3391 PolarHBondContact O-OG 3.12Å |
| 3389 | P | 83.1 | Confident | 75.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 175.5 | -25.2 | 34.1 | 0 | 0 | 0 | 114.9 | W3311 L3313 L3363 Y3384 C3386 S3392 V3409 | W3311-P3389 HydrophobicContact CZ2-CG 4.49Å; L3313-P3389 HydrophobicContact CD2-CB 4.04Å; L3313-P3389 HydrophobicContact CD2-CG 4.47Å; L3363-P3389 HydrophobicContact CD1-CB 4.01Å; Y3384-P3389 WeakPolarHBondContact O-CD 3.33Å; C3386-P3389 WeakPolarHBondContact O-CD 3.32Å; P3389-S3392 PolarHBondContact O-OG 3.13Å; P3389-V3409 HydrophobicContact CG-CB 4.44Å; P3389-V3409 HydrophobicContact CG-CG1 4.33Å |
| 3390 | L | 84 | Confident | 73.1 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.6 | -31.3 | -177.8 | -68.9 | 171.6 | 0 | 0 | 0 | 112.9 | L3313 H3315 C3386 S3387 A3388 S3392 V3393 F3394 | L3313-L3390 HydrophobicContact CD2-CD1 4.34Å; L3313-L3390 HydrophobicContact CD2-CD2 4.05Å; L3313-L3390 HydrophobicContact CD2-CG 3.88Å; H3315-L3390 HydrophobicContact CB-CD2 3.7Å; H3315-L3390 WeakPolarHBondContact ND1-CD1 3.41Å; C3386-L3390 HydrophobicContact CB-CD1 4.44Å; C3386-L3390 WeakPolarHBondContact O-CB 3.22Å; C3386-L3390 WeakPolarHBondContact O-CD1 3.33Å; C3386-L3390 WeakPolarHBondContact O-CG 3.18Å; C3386-L3390 PolarHBondContact O-N 3.31Å; C3386-L3390 VanDerWaalsContact O-N 3.08Å; S3387-L3390 PolarHBondContact O-N 3.16Å; A3388-L3390 VanDerWaalsContact C-N 3.33Å; A3388-L3390 PolarHBondContact O-N 3.4Å; L3390-S3392 PolarHBondContact O-N 2.82Å; L3390-V3393 PolarHBondContact O-N 3.48Å; L3390-F3394 HydrophobicContact CD2-CD2 4Å; L3390-F3394 HydrophobicContact CD2-CE2 3.88Å; L3390-F3394 PolarHBondContact O-N 3.07Å |
| 3391 | S | 78.7 | Confident | 70.9 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 46% | 0.462 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -28.3 | 180 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | S3387 A3388 | S3387-S3391 WeakPolarHBondContact O-CB 3.14Å; S3387-S3391 PolarHBondContact O-N 3.13Å; A3388-S3391 PolarHBondContact O-N 3.04Å; A3388-S3391 PolarHBondContact O-OG 3.12Å |
| 3392 | S | 72.9 | Confident | 68.4 | Low | 70 Ų | 70 | 55.4 Ų | 55.4 | 49% | 0.49 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -11.7 | 177.7 | 44 | 0 | 0 | 0 | 0 | 114.2 | P3389 L3390 M3411 | P3389-S3392 PolarHBondContact O-OG 3.13Å; L3390-S3392 PolarHBondContact O-N 2.82Å; S3392-M3411 WeakPolarHBondContact OG-CE 3.38Å; S3392-M3411 PolarHBondContact OG-SD 3.34Å |
| 3393 | V | 75.9 | Confident | 66.2 | Low | 32 Ų | 32 | 64.4 Ų | 64.4 | 19% | 0.194 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -38 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | V3361 L3363 L3390 M3411 | V3361-V3393 HydrophobicContact CG2-CG1 4.07Å; L3363-V3393 HydrophobicContact CD1-CG2 3.99Å; L3363-V3393 HydrophobicContact CD2-CG2 4.13Å; L3390-V3393 PolarHBondContact O-N 3.48Å; V3393-M3411 HydrophobicContact CG2-CE 4.33Å; V3393-M3411 HydrophobicContact CG2-SD 3.88Å |
| 3394 | F | 75.1 | Confident | 64.6 | Low | 18 Ų | 18 | 65.6 Ų | 65.6 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | trans | -116 | 110.8 | -179.7 | -61.2 | -72 | 0 | 0 | 0 | 109.7 | H3315 I3358 V3361 L3390 D3396 A3397 | H3315-F3394 AromaticContact CD2-CE2 3.49Å; H3315-F3394 VanDerWaalsContact CD2-CE2 3.49Å; H3315-F3394 WeakPolarHBondContact CD2-CE2 3.38Å; H3315-F3394 AromaticContact CD2-CZ 4Å; I3358-F3394 HydrophobicContact CB-CE1 4.16Å; I3358-F3394 HydrophobicContact CG2-CE1 4.21Å; I3358-F3394 HydrophobicContact CG2-CZ 4.25Å; I3358-F3394 VanDerWaalsContact O-CE1 3.32Å; I3358-F3394 WeakPolarHBondContact O-CE1 3.15Å; V3361-F3394 HydrophobicContact CB-CZ 4.49Å; V3361-F3394 HydrophobicContact CG2-CE1 4.5Å; V3361-F3394 HydrophobicContact CG2-CE2 4Å; V3361-F3394 HydrophobicContact CG2-CZ 3.56Å; L3390-F3394 HydrophobicContact CD2-CD2 4Å; L3390-F3394 HydrophobicContact CD2-CE2 3.88Å; L3390-F3394 PolarHBondContact O-N 3.07Å; F3394-D3396 PolarHBondContact O-N 3.48Å; F3394-A3397 PolarHBondContact O-N 2.94Å | ||
| 3395 | V | 57.6 | Low | 63.2 | Low | 134 Ų | 134 | 68.3 Ų | 68.3 | 81% | 0.812 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.9 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | A3397 | V3395-A3397 VanDerWaalsContact C-N 3.3Å; V3395-A3397 PolarHBondContact O-N 2.87Å |
| 3396 | D | 53.7 | Low | 61.9 | Low | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.8 | 179.3 | -55.9 | -24.4 | 0 | 0 | 0 | 115 | R3317 F3394 | R3317-D3396 IonicContact NH1-OD2 3.7Å; R3317-D3396 IonicContact NH2-OD2 3.32Å; R3317-D3396 PolarHBondContact NH2-OD2 3.32Å; F3394-D3396 PolarHBondContact O-N 3.48Å |
| 3397 | A | 50.6 | Low | 61.1 | Low | 29 Ų | 29 | 73.9 Ų | 73.9 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -64.9 | 126.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | F3394 V3395 L3399 | F3394-A3397 PolarHBondContact O-N 2.94Å; V3395-A3397 VanDerWaalsContact C-N 3.3Å; V3395-A3397 PolarHBondContact O-N 2.87Å; A3397-L3399 PolarHBondContact O-N 2.81Å |
| 3398 | P | 45.5 | Very low | 60.4 | Low | 94 Ų | 94 | 81.3 Ų | 81.3 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | trans | -59.1 | 112 | -175.6 | 22.2 | -30.4 | 0 | 0 | 0 | 109.1 | A3400 | P3398-A3400 PolarHBondContact O-N 2.9Š| ||
| 3399 | L | 40.1 | Very low | 60.2 | Low | 171 Ų | 171 | 82 Ų | 82 | 90% | 0.895 | 49% | 0.492 | S | S | * | . | trans | -65.3 | 73 | 162.5 | -81 | 120.6 | 0 | 0 | 0 | 107.9 | A3397 G3401 | A3397-L3399 PolarHBondContact O-N 2.81Å; L3399-G3401 VanDerWaalsContact C-N 3.3Å; L3399-G3401 PolarHBondContact O-N 2.84Å | ||
| 3400 | A | 40.3 | Very low | 60.2 | Low | 94 Ų | 94 | 87 Ų | 87 | 78% | 0.777 | 52% | 0.519 | S | S | * | . | trans | -72.1 | 90.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P3398 | P3398-A3400 PolarHBondContact O-N 2.9Š| ||
| 3401 | G | 38.2 | Very low | 60.3 | Low | 62 Ų | 62 | 90.2 Ų | 90.2 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 74.4 | 114.1 | 162 | 0 | 0 | 0 | 0 | 0 | 115.4 | L3399 K3403 | L3399-G3401 VanDerWaalsContact C-N 3.3Å; L3399-G3401 PolarHBondContact O-N 2.84Å; G3401-K3403 PolarHBondContact O-N 2.78Å |
| 3402 | S | 35.5 | Very low | 60.6 | Low | 133 Ų | 133 | 88 Ų | 88 | 93% | 0.93 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -52.9 | 89.6 | 171.5 | -171.5 | 0 | 0 | 0 | 0 | 113 | ||
| 3403 | K | 44.4 | Very low | 61.2 | Low | 195 Ų | 195 | 86.2 Ų | 86.2 | 85% | 0.848 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -135.4 | 120.4 | 146.7 | -72.1 | -171.7 | 178.8 | -179.3 | 0 | 105.3 | G3401 N3405 | G3401-K3403 PolarHBondContact O-N 2.78Å; K3403-N3405 PolarHBondContact O-N 2.68Å |
| 3404 | A | 51.7 | Low | 61.7 | Low | 101 Ų | 101 | 84.8 Ų | 84.8 | 84% | 0.835 | 50% | 0.5 | S | S | * | . | trans | -45.6 | 117.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P3406 | A3404-P3406 VanDerWaalsContact O-CD 3.31Å; A3404-P3406 WeakPolarHBondContact O-CD 3.32Å; A3404-P3406 VanDerWaalsContact O-N 3.09Å | ||
| 3405 | N | 57.8 | Low | 62.3 | Low | 60 Ų | 60 | 85 Ų | 85 | 32% | 0.321 | 50% | 0.501 | S | S | . | . | trans | -58.8 | 115.2 | 179.6 | -162.9 | 5.5 | 0 | 0 | 0 | 107.9 | Q3383 K3403 Y3407 | Q3383-N3405 PolarHBondContact NE2-OD1 2.87Å; K3403-N3405 PolarHBondContact O-N 2.68Å; N3405-Y3407 PolarHBondContact O-N 2.89Å | ||
| 3406 | P | 61.6 | Low | 63.8 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | trans | -72 | -15.5 | -169.8 | 27.8 | -34.8 | 0 | 0 | 0 | 112.7 | A3404 R3408 | A3404-P3406 VanDerWaalsContact O-CD 3.31Å; A3404-P3406 WeakPolarHBondContact O-CD 3.32Å; A3404-P3406 VanDerWaalsContact O-N 3.09Å; P3406-R3408 PolarHBondContact O-N 2.9Å | ||
| 3407 | Y | 70.2 | Confident | 65.5 | Low | 38 Ų | 38 | 79.3 Ų | 79.3 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | trans | -90.2 | 104.6 | -175.5 | -54.7 | -64.7 | 0 | 0 | 0 | 110.9 | P3372 Y3384 N3405 | P3372-Y3407 HydrophobicContact CG-CE1 4.14Å; Y3384-Y3407 AromaticContact CD2-CD1 3.55Å; Y3384-Y3407 HydrophobicContact CD2-CD1 3.55Å; Y3384-Y3407 HydrophobicContact CD2-CE1 4.25Å; Y3384-Y3407 AromaticContact CD2-CG 3.72Å; Y3384-Y3407 HydrophobicContact CD2-CG 3.72Å; Y3384-Y3407 HydrophobicContact CE2-CD1 4.28Å; Y3384-Y3407 HydrophobicContact CG-CD1 4.41Å; Y3384-Y3407 HydrophobicContact CG-CG 4.47Å; N3405-Y3407 PolarHBondContact O-N 2.89Å | ||
| 3408 | R | 69.5 | Low | 67.3 | Low | 209 Ų | 209 | 78.3 Ų | 78.3 | 79% | 0.789 | 45% | 0.453 | S | S | * | . | trans | -88.2 | 137.2 | 163.2 | -65.8 | -172.8 | 178 | -174.9 | -0.3 | 108.6 | S3368 P3406 | S3368-R3408 WeakPolarHBondContact CB-O 3.29Å; S3368-R3408 PolarHBondContact OG-O 3.07Å; P3406-R3408 PolarHBondContact O-N 2.9Å | ||
| 3409 | V | 78.9 | Confident | 69.3 | Low | 24 Ų | 24 | 74 Ų | 74 | 15% | 0.145 | 43% | 0.425 | C | S | . | . | trans | -133.9 | 132.2 | 178.5 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | W3311 C3365 Q3366 Y3384 P3389 M3411 | W3311-V3409 HydrophobicContact CH2-CB 4.44Å; W3311-V3409 HydrophobicContact CH2-CG1 3.49Å; W3311-V3409 VanDerWaalsContact CH2-CG1 3.49Å; W3311-V3409 HydrophobicContact CH2-CG2 4.02Å; W3311-V3409 HydrophobicContact CZ2-CG1 3.63Å; W3311-V3409 HydrophobicContact CZ2-CG2 4.23Å; W3311-V3409 HydrophobicContact CZ3-CG1 4.47Å; C3365-V3409 HydrophobicContact CB-CG1 3.86Å; Q3366-V3409 WeakPolarHBondContact O-CG1 3.31Å; Y3384-V3409 HydrophobicContact CD2-CG2 4.45Å; Y3384-V3409 HydrophobicContact CE2-CG2 4.11Å; P3389-V3409 HydrophobicContact CG-CB 4.44Å; P3389-V3409 HydrophobicContact CG-CG1 4.33Å; V3409-M3411 PolarHBondContact O-N 2.96Å | ||
| 3410 | N | 83 | Confident | 71.6 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.1 | 174.1 | -72.1 | -11 | 0 | 0 | 0 | 107.9 | C3365 Q3366 | C3365-N3410 CarbonylContact C-O 3.59Å; C3365-N3410 WeakPolarHBondContact CA-O 3.45Å; Q3366-N3410 HydrophobicContact CB-CB 4.22Å; Q3366-N3410 PolarHBondContact N-O 3.37Å; Q3366-N3410 PolarHBondContact O-N 2.79Å; Q3366-N3410 VanDerWaalsContact O-N 3.14Å |
| 3411 | M | 85.7 | Confident | 73.9 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 38% | 0.384 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.7 | -176.6 | 60.9 | 161 | -170.8 | 0 | 0 | 111.7 | R3364 S3392 V3393 V3409 | R3364-M3411 CarbonylContact O-C 3.55Å; R3364-M3411 WeakPolarHBondContact O-CA 3.12Å; S3392-M3411 WeakPolarHBondContact OG-CE 3.38Å; S3392-M3411 PolarHBondContact OG-SD 3.34Å; V3393-M3411 HydrophobicContact CG2-CE 4.33Å; V3393-M3411 HydrophobicContact CG2-SD 3.88Å; V3409-M3411 PolarHBondContact O-N 2.96Å |
| 3412 | S | 85.4 | Confident | 76.4 | Confident | 19 Ų | 19 | 66 Ų | 66 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.3 | 164.2 | 63 | 0 | 0 | 0 | 0 | 109.9 | R3364 L3414 E3462 S3465 | R3364-S3412 PolarHBondContact N-O 2.76Å; R3364-S3412 PolarHBondContact O-N 3.28Å; S3412-L3414 PolarHBondContact O-N 3.04Å; S3412-E3462 WeakPolarHBondContact CB-OE2 3.46Å; S3412-E3462 PolarHBondContact OG-OE2 3.24Å; S3412-S3465 PolarHBondContact OG-OG 2.86Å |
| 3413 | A | 85.3 | Confident | 79.2 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 28% | 0.281 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 113 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L3363 T3460 | L3363-A3413 HydrophobicContact CD2-CB 3.59Å; A3413-T3460 VanDerWaalsContact O-CB 3.32Å; A3413-T3460 WeakPolarHBondContact O-CB 3.46Å |
| 3414 | L | 86.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -51.5 | -178.7 | -65.2 | 172.5 | 0 | 0 | 0 | 111.8 | V3362 R3364 S3412 V3459 T3460 S3465 L3469 | V3362-L3414 HydrophobicContact CB-CB 4.23Å; V3362-L3414 HydrophobicContact CG1-CB 4.33Å; V3362-L3414 HydrophobicContact CG1-CD1 3.88Å; V3362-L3414 WeakPolarHBondContact O-CA 3.47Å; V3362-L3414 WeakPolarHBondContact O-CB 3.35Å; V3362-L3414 PolarHBondContact O-N 2.78Å; R3364-L3414 HydrophobicContact CB-CD1 4.27Å; R3364-L3414 HydrophobicContact CB-CG 4.32Å; S3412-L3414 PolarHBondContact O-N 3.04Å; L3414-V3459 WeakPolarHBondContact O-CA 3.48Å; L3414-T3460 HydrophobicContact CD2-CG2 3.95Å; L3414-T3460 PolarHBondContact O-N 2.81Å; L3414-S3465 VanDerWaalsContact CD2-O 3.23Å; L3414-S3465 WeakPolarHBondContact CD2-O 3.31Å; L3414-L3469 HydrophobicContact CD1-CB 4.17Å; L3414-L3469 HydrophobicContact CD1-CD1 4.49Å; L3414-L3469 HydrophobicContact CD1-CD2 4.36Å |
| 3415 | F | 88.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 50 Ų | 50 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 134.5 | -176.6 | -63.8 | -80.3 | 0 | 0 | 0 | 109.5 | V3361 V3362 L3458 V3459 L3466 L3469 L3544 | V3361-F3415 VanDerWaalsContact CA-O 3.27Å; V3361-F3415 WeakPolarHBondContact CA-O 3.3Å; V3362-F3415 HydrophobicContact CB-CB 4.17Å; V3362-F3415 HydrophobicContact CB-CD2 4.05Å; V3362-F3415 HydrophobicContact CG2-CB 4.09Å; V3362-F3415 HydrophobicContact CG2-CD2 4.18Å; V3362-F3415 PolarHBondContact N-O 2.88Å; V3362-F3415 PolarHBondContact O-N 3.35Å; F3415-L3458 CarbonylContact C-O 3.49Å; F3415-L3458 WeakPolarHBondContact CA-O 3.36Å; F3415-V3459 HydrophobicContact CD1-CB 4.49Å; F3415-V3459 HydrophobicContact CD1-CG1 4.32Å; F3415-V3459 HydrophobicContact CD1-CG2 3.78Å; F3415-V3459 HydrophobicContact CE1-CB 4.37Å; F3415-V3459 HydrophobicContact CE1-CG1 3.83Å; F3415-V3459 HydrophobicContact CE1-CG2 3.73Å; F3415-V3459 HydrophobicContact CZ-CG1 4.45Å; F3415-L3466 HydrophobicContact CE1-CD2 4.35Å; F3415-L3466 HydrophobicContact CE2-CD2 3.83Å; F3415-L3466 HydrophobicContact CZ-CD2 3.47Å; F3415-L3466 VanDerWaalsContact CZ-CD2 3.47Å; F3415-L3469 HydrophobicContact CD2-CD2 4.4Å; F3415-L3469 HydrophobicContact CE2-CD2 3.73Å; F3415-L3544 HydrophobicContact CZ-CD1 4.34Å; F3415-L3544 HydrophobicContact CZ-CD2 4.22Å |
| 3416 | K | 88.4 | Confident | 84.9 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120 | 164.8 | -59.9 | 169.8 | 169.8 | -176.1 | 0 | 107.8 | I3358 V3361 L3458 | I3358-K3416 HydrophobicContact CD1-CB 4.37Å; I3358-K3416 HydrophobicContact CD1-CD 3.79Å; I3358-K3416 HydrophobicContact CD1-CG 4.31Å; I3358-K3416 HydrophobicContact CG1-CB 4.36Å; I3358-K3416 HydrophobicContact CG2-CB 3.96Å; I3358-K3416 HydrophobicContact CG2-CG 4.41Å; V3361-K3416 HydrophobicContact CG2-CG 4.39Å; K3416-L3458 HydrophobicContact CB-CB 4.12Å; K3416-L3458 HydrophobicContact CB-CD1 4.31Å; K3416-L3458 HydrophobicContact CD-CD1 3.99Å; K3416-L3458 PolarHBondContact N-O 2.95Å; K3416-L3458 PolarHBondContact O-N 2.71Å |
| 3417 | I | 88.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.3 | -172.9 | -50.2 | 175.4 | 0 | 0 | 0 | 108.2 | M3359 A3360 F3420 F3453 V3457 | M3359-I3417 PolarHBondContact N-O 3.27Å; A3360-I3417 HydrophobicContact CB-CB 4.11Å; A3360-I3417 HydrophobicContact CB-CD1 4.34Å; A3360-I3417 PolarHBondContact N-O 2.81Å; A3360-I3417 PolarHBondContact O-N 2.8Å; I3417-F3420 HydrophobicContact CG2-CD1 3.69Å; I3417-F3420 HydrophobicContact CG2-CE1 4Å; I3417-F3453 HydrophobicContact CG2-CE1 4.39Å; I3417-V3457 HydrophobicContact CG1-CG1 4.19Å; I3417-V3457 HydrophobicContact CG2-CG2 4.38Å |
| 3418 | P | 88.3 | Confident | 87 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | trans | -76.1 | -172.1 | 174.9 | 32.2 | -33.2 | 0 | 0 | 0 | 111.2 | F3420 N3455 | P3418-F3420 PolarHBondContact O-N 2.99Å; P3418-N3455 HydrophobicContact CB-CB 3.88Å; P3418-N3455 HydrophobicContact CG-CB 3.96Å; P3418-N3455 VanDerWaalsContact CG-O 3.26Å; P3418-N3455 WeakPolarHBondContact CG-O 3.4Å | ||
| 3419 | C | 88.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -57.1 | 137.1 | 170 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | L3348 S3353 M3359 D3454 | L3348-C3419 VanDerWaalsContact O-CA 3.29Å; L3348-C3419 WeakPolarHBondContact O-CA 3.39Å; S3353-C3419 PolarHBondContact OG-SG 3.04Å; M3359-C3419 HydrophobicContact CG-CB 4.4Å; M3359-C3419 WeakPolarHBondContact CG-SG 3.33Å; C3419-D3454 HydrophobicContact CB-CB 4.14Å; C3419-D3454 WeakPolarHBondContact CB-OD2 3.42Å; C3419-D3454 PolarHBondContact O-N 2.79Å |
| 3420 | F | 88.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 159.6 | 177.6 | 78.3 | -98.2 | 0 | 0 | 0 | 112.7 | R3347 L3348 I3417 P3418 V3422 D3452 F3453 | R3347-F3420 WeakPolarHBondContact CA-O 3.26Å; L3348-F3420 HydrophobicContact CB-CD1 3.73Å; L3348-F3420 HydrophobicContact CB-CE1 3.64Å; L3348-F3420 HydrophobicContact CB-CG 4.36Å; L3348-F3420 HydrophobicContact CB-CZ 4.19Å; L3348-F3420 HydrophobicContact CD2-CD1 3.85Å; L3348-F3420 HydrophobicContact CD2-CE1 3.58Å; L3348-F3420 HydrophobicContact CG-CD1 4.45Å; L3348-F3420 HydrophobicContact CG-CE1 4.22Å; L3348-F3420 PolarHBondContact N-O 2.8Å; L3348-F3420 PolarHBondContact O-N 3.05Å; L3348-F3420 VanDerWaalsContact O-N 3.17Å; I3417-F3420 HydrophobicContact CG2-CD1 3.69Å; I3417-F3420 HydrophobicContact CG2-CE1 4Å; P3418-F3420 PolarHBondContact O-N 2.99Å; F3420-V3422 HydrophobicContact CD2-CG2 3.73Å; F3420-V3422 HydrophobicContact CE2-CB 4.37Å; F3420-V3422 HydrophobicContact CE2-CG2 3.76Å; F3420-D3452 CarbonylContact C-O 3.51Å; F3420-D3452 WeakPolarHBondContact CA-O 3.17Å; F3420-F3453 HydrophobicContact CB-CD1 3.38Å; F3420-F3453 HydrophobicContact CB-CE1 3.54Å; F3420-F3453 HydrophobicContact CB-CG 3.96Å; F3420-F3453 HydrophobicContact CB-CZ 4.26Å; F3420-F3453 HydrophobicContact CD1-CE1 4.16Å; F3420-F3453 HydrophobicContact CD2-CE1 4.39Å; F3420-F3453 HydrophobicContact CG-CD1 4.16Å; F3420-F3453 AromaticContact CG-CE1 3.8Å; F3420-F3453 HydrophobicContact CG-CE1 3.8Å; F3420-F3453 HydrophobicContact CG-CZ 4.4Å |
| 3421 | R | 90 | Very high | 86.7 | Confident | 90 Ų | 90 | 33.2 Ų | 33.2 | 34% | 0.34 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.8 | 172.7 | 177.1 | -177.9 | -61.7 | -163.4 | 1.7 | 109.7 | C3346 R3347 S3451 D3452 | C3346-R3421 CarbonylContact O-C 3.56Å; C3346-R3421 WeakPolarHBondContact O-CA 3.47Å; R3347-R3421 HydrophobicContact CG-CB 4.27Å; R3347-R3421 HydrophobicContact CG-CG 3.93Å; R3347-R3421 VanDerWaalsContact NE-CZ 3.3Å; R3347-R3421 VanDerWaalsContact NE-NE 3.18Å; R3421-S3451 CarbonylContact O-C 3.55Å; R3421-S3451 VanDerWaalsContact O-CA 3.31Å; R3421-S3451 WeakPolarHBondContact O-CA 3.1Å; R3421-D3452 PolarHBondContact N-O 2.83Å; R3421-D3452 PolarHBondContact O-N 2.98Å |
| 3422 | V | 90.3 | Very high | 85.7 | Confident | 33 Ų | 33 | 31.1 Ų | 31.1 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.7 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 108.9 | T3345 C3346 F3420 L3449 K3450 | T3345-V3422 CarbonylContact C-O 3.57Å; T3345-V3422 VanDerWaalsContact CA-O 3.32Å; T3345-V3422 WeakPolarHBondContact CA-O 3.2Å; C3346-V3422 PolarHBondContact N-O 2.99Å; C3346-V3422 PolarHBondContact O-N 2.95Å; F3420-V3422 HydrophobicContact CD2-CG2 3.73Å; F3420-V3422 HydrophobicContact CE2-CB 4.37Å; F3420-V3422 HydrophobicContact CE2-CG2 3.76Å; V3422-L3449 HydrophobicContact CG1-CD1 3.66Å; V3422-K3450 CarbonylContact C-O 3.57Å; V3422-K3450 WeakPolarHBondContact CA-O 3.26Å |
| 3423 | C | 93.2 | Very high | 84.5 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.3 | 171.8 | -169.1 | 0 | 0 | 0 | 0 | 108.7 | L3344 L3449 K3450 | L3344-C3423 CarbonylContact O-C 3.54Å; L3344-C3423 WeakPolarHBondContact O-CA 3.26Å; C3423-L3449 WeakPolarHBondContact O-CA 3.47Å; C3423-K3450 PolarHBondContact N-O 3.26Å; C3423-K3450 PolarHBondContact O-N 2.82Å |
| 3424 | L | 91.6 | Very high | 82.8 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.6 | 174.6 | 177.5 | 68.6 | 0 | 0 | 0 | 108.3 | V3343 L3344 M3426 Q3448 L3449 V3557 L3562 | V3343-L3424 CarbonylContact C-O 3.49Å; V3343-L3424 WeakPolarHBondContact CA-O 3.33Å; L3344-L3424 HydrophobicContact CB-CB 4.37Å; L3344-L3424 PolarHBondContact N-O 2.85Å; L3344-L3424 PolarHBondContact O-N 2.89Å; L3424-M3426 HydrophobicContact CD1-CG 4.5Å; L3424-M3426 HydrophobicContact CD1-SD 3.77Å; L3424-M3426 HydrophobicContact CD2-CG 4.31Å; L3424-M3426 HydrophobicContact CD2-SD 4.27Å; L3424-M3426 HydrophobicContact CG-CG 4.1Å; L3424-M3426 HydrophobicContact CG-SD 4Å; L3424-Q3448 CarbonylContact C-O 3.52Å; L3424-Q3448 WeakPolarHBondContact CA-O 3.31Å; L3424-L3449 HydrophobicContact CB-CD1 3.99Å; L3424-L3449 HydrophobicContact CD1-CB 4.21Å; L3424-L3449 HydrophobicContact CD1-CD1 3.92Å; L3424-V3557 HydrophobicContact CD2-CB 4.08Å; L3424-V3557 HydrophobicContact CD2-CG1 3.58Å; L3424-L3562 HydrophobicContact CD2-CD1 4.19Å |
| 3425 | I | 92.8 | Very high | 80.7 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.1 | 175.5 | -55 | 173.5 | 0 | 0 | 0 | 107.3 | Q3342 V3343 C3447 Q3448 | Q3342-I3425 CarbonylContact O-C 3.56Å; Q3342-I3425 WeakPolarHBondContact O-CA 3.31Å; V3343-I3425 HydrophobicContact CG1-CG1 4.19Å; V3343-I3425 HydrophobicContact CG2-CG1 4.23Å; V3343-I3425 HydrophobicContact CG2-CG2 4.23Å; I3425-C3447 CarbonylContact O-C 3.46Å; I3425-C3447 WeakPolarHBondContact O-CA 3.48Å; I3425-Q3448 HydrophobicContact CB-CB 4.21Å; I3425-Q3448 PolarHBondContact N-O 3.24Å; I3425-Q3448 PolarHBondContact O-N 2.81Å |
| 3426 | M | 89.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.7 | 176.9 | -52.9 | -66.6 | -76.5 | 0 | 0 | 108.1 | Q3342 L3424 V3445 D3446 C3447 Y3517 P3554 L3562 | Q3342-M3426 HydrophobicContact CB-CB 4.22Å; Q3342-M3426 PolarHBondContact N-O 2.81Å; Q3342-M3426 PolarHBondContact O-N 2.8Å; L3424-M3426 HydrophobicContact CD1-CG 4.5Å; L3424-M3426 HydrophobicContact CD1-SD 3.77Å; L3424-M3426 HydrophobicContact CD2-CG 4.31Å; L3424-M3426 HydrophobicContact CD2-SD 4.27Å; L3424-M3426 HydrophobicContact CG-CG 4.1Å; L3424-M3426 HydrophobicContact CG-SD 4Å; M3426-V3445 HydrophobicContact CB-CG1 4.38Å; M3426-V3445 HydrophobicContact CE-CG1 3.55Å; M3426-D3446 CarbonylContact C-O 3.47Å; M3426-D3446 WeakPolarHBondContact CA-O 3.48Å; M3426-C3447 HydrophobicContact CE-CB 4.27Å; M3426-C3447 HydrophobicContact SD-CB 3.71Å; M3426-C3447 VanDerWaalsContact SD-SG 3.7Å; M3426-Y3517 HydrophobicContact CE-CD1 3.87Å; M3426-Y3517 HydrophobicContact CE-CE1 3.58Å; M3426-P3554 HydrophobicContact CE-CB 4.16Å; M3426-P3554 HydrophobicContact SD-CB 4.38Å; M3426-L3562 HydrophobicContact CG-CD1 3.83Å |
| 3427 | D | 89.5 | Confident | 76.2 | Confident | 50 Ų | 50 | 54 Ų | 54 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.1 | 175.2 | -172.6 | 4.9 | 0 | 0 | 0 | 108.8 | V3445 D3446 | D3427-V3445 WeakPolarHBondContact O-CA 3.33Å; D3427-D3446 HydrophobicContact CB-CB 4.23Å; D3427-D3446 PolarHBondContact N-O 2.78Å; D3427-D3446 PolarHBondContact O-N 2.81Å |
| 3428 | H | 85.7 | Confident | 74 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127 | -179.4 | -57.8 | -104.9 | 0 | 0 | 0 | 108.9 | S3339 V3340 Q3342 V3445 Q3558 | S3339-H3428 CarbonylContact C-O 3.47Å; S3339-H3428 WeakPolarHBondContact CA-O 2.9Å; V3340-H3428 HydrophobicContact CB-CB 4.24Å; V3340-H3428 PolarHBondContact N-O 2.9Å; V3340-H3428 PolarHBondContact O-CD2 2.84Å; V3340-H3428 PolarHBondContact O-N 2.78Å; Q3342-H3428 VanDerWaalsContact CD-NE2 3.34Å; Q3342-H3428 PolarHBondContact OE1-NE2 3.22Å; H3428-V3445 VanDerWaalsContact ND1-CG2 3.35Å; H3428-V3445 WeakPolarHBondContact ND1-CG2 3.43Å; H3428-Q3558 VanDerWaalsContact CE1-CD 3.49Å; H3428-Q3558 PolarHBondContact CE1-NE2 3.26Å; H3428-Q3558 VanDerWaalsContact CE1-NE2 3.32Å; H3428-Q3558 PolarHBondContact NE2-NE2 2.9Å; H3428-Q3558 PolarHBondContact NE2-OE1 2.91Å |
| 3429 | L | 81 | Confident | 71.8 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 23% | 0.225 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 112.2 | 169.6 | -168.2 | 71.4 | 0 | 0 | 0 | 108.8 | H3337 L3444 | H3337-L3429 HydrophobicContact CB-CD1 3.76Å; H3337-L3429 HydrophobicContact CB-CG 4.19Å; L3429-L3444 PolarHBondContact N-O 3.27Å |
| 3430 | V | 75.3 | Confident | 70.1 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 10% | 0.097 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.1 | -177.2 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | H3337 T3338 | H3337-V3430 CarbonylContact C-O 3.54Å; H3337-V3430 VanDerWaalsContact CA-O 3.28Å; H3337-V3430 WeakPolarHBondContact CA-O 3.43Å; T3338-V3430 PolarHBondContact N-O 2.84Å; T3338-V3430 PolarHBondContact O-N 2.74Å |
| 3431 | L | 69.4 | Low | 68.6 | Low | 46 Ų | 46 | 83 Ų | 83 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.1 | 170.4 | -178.5 | 66.4 | 0 | 0 | 0 | 109.6 | Q3335 H3337 D3433 | Q3335-L3431 HydrophobicContact CB-CD1 3.72Å; Q3335-L3431 HydrophobicContact CG-CD1 4.33Å; H3337-L3431 WeakPolarHBondContact CE1-CD1 3.3Å; L3431-D3433 PolarHBondContact O-N 3.07Å |
| 3432 | V | 65 | Low | 67.1 | Low | 33 Ų | 33 | 82.5 Ų | 82.5 | 20% | 0.2 | 45% | 0.449 | C | S | . | . | trans | -82 | 95.1 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | L3336 T3434 | L3336-V3432 HydrophobicContact CD2-CG2 4.32Å; L3336-V3432 HydrophobicContact CG-CG2 4.35Å; L3336-V3432 WeakPolarHBondContact O-CB 3.34Å; L3336-V3432 WeakPolarHBondContact O-CG2 3.4Å; L3336-V3432 PolarHBondContact O-N 3.27Å; L3336-V3432 VanDerWaalsContact O-N 3.09Å; V3432-T3434 PolarHBondContact O-N 3.4Å; V3432-T3434 VanDerWaalsContact O-N 3.07Å | ||
| 3433 | D | 59.4 | Low | 66.2 | Low | 125 Ų | 125 | 84.3 Ų | 84.3 | 67% | 0.668 | 45% | 0.453 | S | S | * | . | trans | -59.6 | 111.7 | -179.1 | -70.8 | -21.1 | 0 | 0 | 0 | 110.2 | L3431 | L3431-D3433 PolarHBondContact O-N 3.07Š| ||
| 3434 | T | 50.2 | Low | 65.4 | Low | 129 Ų | 129 | 86.4 Ų | 86.4 | 79% | 0.791 | 46% | 0.461 | S | S | * | . | trans | -82 | 123.6 | 161.2 | 51.3 | 0 | 0 | 0 | 0 | 107.9 | V3432 G3436 | V3432-T3434 PolarHBondContact O-N 3.4Å; V3432-T3434 VanDerWaalsContact O-N 3.07Å; T3434-G3436 PolarHBondContact O-N 3.47Å | ||
| 3435 | D | 43 | Very low | 65 | Low | 185 Ų | 185 | 86 Ų | 86 | 99% | 0.989 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -34 | 87.5 | -177.1 | -69.7 | -44.8 | 0 | 0 | 0 | 115.2 | ||
| 3436 | G | 40.6 | Very low | 64.8 | Low | 52 Ų | 52 | 84.7 Ų | 84.7 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | trans | -142.3 | 139 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T3434 E3438 | T3434-G3436 PolarHBondContact O-N 3.47Å; G3436-E3438 VanDerWaalsContact C-N 3.27Å; G3436-E3438 PolarHBondContact O-N 3Å; G3436-E3438 VanDerWaalsContact O-N 3.11Å | ||
| 3437 | P | 40.8 | Very low | 64.8 | Low | 140 Ų | 140 | 84.7 Ų | 84.7 | 91% | 0.909 | 45% | 0.453 | S | S | * | . | trans | -88.1 | 49.4 | -173.5 | 38.1 | -35.6 | 0 | 0 | 0 | 112.2 | ||||
| 3438 | E | 41.8 | Very low | 64.9 | Low | 179 Ų | 179 | 85.3 Ų | 85.3 | 84% | 0.836 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -123 | 136.8 | -179.8 | -67.2 | -163.3 | 161.2 | 0 | 0 | 112.8 | G3436 | G3436-E3438 VanDerWaalsContact C-N 3.27Å; G3436-E3438 PolarHBondContact O-N 3Å; G3436-E3438 VanDerWaalsContact O-N 3.11Å |
| 3439 | E | 42.1 | Very low | 65.1 | Low | 187 Ų | 187 | 85.2 Ų | 85.2 | 87% | 0.874 | 45% | 0.454 | S | S | * | . | trans | 6.7 | 103.3 | 169.6 | -135 | 168.6 | -167.1 | 0 | 0 | 117.2 | V3441 | E3439-V3441 PolarHBondContact O-N 3.17Š| ||
| 3440 | R | 52.4 | Low | 65.5 | Low | 218 Ų | 218 | 87.7 Ų | 87.7 | 82% | 0.823 | 46% | 0.463 | S | S | * | . | trans | -59.2 | 98.4 | 175.5 | -73.9 | 180 | 179.3 | 167.9 | -0.5 | 110.8 | ||||
| 3441 | V | 57 | Low | 66.2 | Low | 110 Ų | 110 | 87 Ų | 87 | 67% | 0.667 | 46% | 0.459 | S | S | * | . | trans | -57.8 | 125.7 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E3439 R3443 | E3439-V3441 PolarHBondContact O-N 3.17Å; V3441-R3443 PolarHBondContact O-N 3.2Å | ||
| 3442 | P | 59.1 | Low | 67 | Low | 80 Ų | 80 | 88.3 Ų | 88.3 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | trans | -62.2 | 136.5 | 179.6 | 23 | -31.3 | 0 | 0 | 0 | 110.6 | L3444 V3516 | P3442-L3444 PolarHBondContact O-N 3.27Å; P3442-L3444 VanDerWaalsContact O-N 3.15Å; P3442-V3516 HydrophobicContact CB-CG2 3.73Å; P3442-V3516 HydrophobicContact CG-CG2 4.38Å | ||
| 3443 | R | 70.4 | Confident | 68 | Low | 71 Ų | 71 | 89 Ų | 89 | 27% | 0.268 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 113.6 | 177.4 | -69.1 | -176.6 | -176.5 | 176.1 | 4.6 | 109.4 | S3253 V3441 R3515 V3516 | S3253-R3443 PolarHBondContact O-NH1 3.3Å; S3253-R3443 PolarHBondContact O-NH2 2.76Å; V3441-R3443 PolarHBondContact O-N 3.2Å; R3443-R3515 HydrophobicContact CB-CG 4.04Å; R3443-R3515 CarbonylContact O-C 3.56Å; R3443-R3515 VanDerWaalsContact O-CA 3.29Å; R3443-R3515 WeakPolarHBondContact O-CA 3.27Å; R3443-V3516 PolarHBondContact O-N 3.17Å |
| 3444 | L | 77.2 | Confident | 69.1 | Low | 78 Ų | 78 | 87.6 Ų | 87.6 | 41% | 0.408 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 129.5 | 177.2 | -167.7 | 72 | 0 | 0 | 0 | 109.8 | L3429 P3442 V3516 T3518 | L3429-L3444 PolarHBondContact N-O 3.27Å; P3442-L3444 PolarHBondContact O-N 3.27Å; P3442-L3444 VanDerWaalsContact O-N 3.15Å; L3444-V3516 HydrophobicContact CD1-CG1 4.4Å; L3444-T3518 WeakPolarHBondContact CD1-OG1 3.48Å |
| 3445 | V | 83.5 | Confident | 70.6 | Confident | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.006 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 111.9 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | M3426 D3427 H3428 R3515 V3516 Y3517 T3518 | M3426-V3445 HydrophobicContact CB-CG1 4.38Å; M3426-V3445 HydrophobicContact CE-CG1 3.55Å; D3427-V3445 WeakPolarHBondContact O-CA 3.33Å; H3428-V3445 VanDerWaalsContact ND1-CG2 3.35Å; H3428-V3445 WeakPolarHBondContact ND1-CG2 3.43Å; V3445-R3515 HydrophobicContact CG2-CB 3.93Å; V3445-R3515 HydrophobicContact CG2-CG 4.12Å; V3445-V3516 PolarHBondContact N-O 2.93Å; V3445-Y3517 HydrophobicContact CB-CD1 4.22Å; V3445-Y3517 HydrophobicContact CB-CE1 4.4Å; V3445-Y3517 HydrophobicContact CG1-CD1 4.23Å; V3445-Y3517 HydrophobicContact CG1-CE1 4.22Å; V3445-Y3517 WeakPolarHBondContact O-CA 3.32Å; V3445-T3518 PolarHBondContact O-N 3.27Å |
| 3446 | D | 87.8 | Confident | 72.5 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.5 | 175.7 | -79.4 | -51.5 | 0 | 0 | 0 | 110.1 | M3426 D3427 T3518 R3520 | M3426-D3446 CarbonylContact C-O 3.47Å; M3426-D3446 WeakPolarHBondContact CA-O 3.48Å; D3427-D3446 HydrophobicContact CB-CB 4.23Å; D3427-D3446 PolarHBondContact N-O 2.78Å; D3427-D3446 PolarHBondContact O-N 2.81Å; D3446-T3518 CarbonylContact C-O 3.52Å; D3446-T3518 WeakPolarHBondContact CA-O 3.49Å; D3446-T3518 WeakPolarHBondContact OD1-CB 3.43Å; D3446-R3520 HydrophobicContact CB-CG 4.44Å; D3446-R3520 IonicContact OD1-CZ 2.67Å; D3446-R3520 IonicContact OD1-NE 3.33Å; D3446-R3520 PolarHBondContact OD1-NE 3.48Å; D3446-R3520 VanDerWaalsContact OD1-NE 3.13Å; D3446-R3520 IonicContact OD1-NH2 2.87Å; D3446-R3520 IonicContact OD2-CZ 3.61Å; D3446-R3520 VanDerWaalsContact OD2-CZ 3.24Å; D3446-R3520 IonicContact OD2-NE 3.04Å; D3446-R3520 PolarHBondContact OD2-NE 3.29Å; D3446-R3520 IonicContact OD2-NH2 3.62Å; D3446-R3520 PolarHBondContact OD2-NH2 3.46Å |
| 3447 | C | 89.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.6 | -176 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I3425 M3426 T3518 V3519 R3520 P3554 | I3425-C3447 CarbonylContact O-C 3.46Å; I3425-C3447 WeakPolarHBondContact O-CA 3.48Å; M3426-C3447 HydrophobicContact CE-CB 4.27Å; M3426-C3447 HydrophobicContact SD-CB 3.71Å; M3426-C3447 VanDerWaalsContact SD-SG 3.7Å; C3447-T3518 PolarHBondContact N-O 2.82Å; C3447-V3519 HydrophobicContact CB-CG2 4.36Å; C3447-V3519 CarbonylContact O-C 3.53Å; C3447-V3519 WeakPolarHBondContact O-CA 3.01Å; C3447-R3520 PolarHBondContact O-N 2.91Å; C3447-P3554 VanDerWaalsContact SG-CG 3.52Å |
| 3448 | Q | 91 | Very high | 76.6 | Confident | 64 Ų | 64 | 72 Ų | 72 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.1 | 167.9 | -61.2 | 178.1 | 10.2 | 0 | 0 | 109.6 | L3424 I3425 R3520 L3521 | L3424-Q3448 CarbonylContact C-O 3.52Å; L3424-Q3448 WeakPolarHBondContact CA-O 3.31Å; I3425-Q3448 HydrophobicContact CB-CB 4.21Å; I3425-Q3448 PolarHBondContact N-O 3.24Å; I3425-Q3448 PolarHBondContact O-N 2.81Å; Q3448-R3520 HydrophobicContact CG-CB 3.89Å; Q3448-L3521 WeakPolarHBondContact CA-O 3.49Å; Q3448-L3521 HydrophobicContact CB-CB 3.98Å; Q3448-L3521 HydrophobicContact CG-CB 3.97Å |
| 3449 | L | 90.2 | Very high | 78.7 | Confident | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.1 | 175.1 | -177 | 79.5 | 0 | 0 | 0 | 109.8 | V3422 C3423 L3424 L3521 W3522 E3523 L3524 | V3422-L3449 HydrophobicContact CG1-CD1 3.66Å; C3423-L3449 WeakPolarHBondContact O-CA 3.47Å; L3424-L3449 HydrophobicContact CB-CD1 3.99Å; L3424-L3449 HydrophobicContact CD1-CB 4.21Å; L3424-L3449 HydrophobicContact CD1-CD1 3.92Å; L3449-L3521 PolarHBondContact N-O 2.89Å; L3449-W3522 HydrophobicContact CB-CE3 3.85Å; L3449-W3522 HydrophobicContact CB-CZ3 4.02Å; L3449-W3522 HydrophobicContact CD2-CD2 4.18Å; L3449-W3522 HydrophobicContact CD2-CE3 3.78Å; L3449-W3522 HydrophobicContact CD2-CH2 3.5Å; L3449-W3522 HydrophobicContact CD2-CZ2 3.92Å; L3449-W3522 HydrophobicContact CD2-CZ3 3.42Å; L3449-W3522 VanDerWaalsContact CD2-CZ3 3.42Å; L3449-W3522 HydrophobicContact CG-CE3 4.46Å; L3449-W3522 HydrophobicContact CG-CZ3 4.34Å; L3449-E3523 PolarHBondContact O-N 2.89Å; L3449-L3524 HydrophobicContact CD2-CD1 4.39Å |
| 3450 | K | 90.7 | Very high | 80.6 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.8 | 169.6 | -175.2 | 174.7 | -175.7 | 174.6 | 0 | 110.3 | V3422 C3423 E3523 | V3422-K3450 CarbonylContact C-O 3.57Å; V3422-K3450 WeakPolarHBondContact CA-O 3.26Å; C3423-K3450 PolarHBondContact N-O 3.26Å; C3423-K3450 PolarHBondContact O-N 2.82Å; K3450-E3523 HydrophobicContact CG-CB 4.46Å |
| 3451 | S | 88.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.3 | 175.2 | 77.6 | 0 | 0 | 0 | 0 | 111.8 | R3421 E3523 L3524 K3525 | R3421-S3451 CarbonylContact O-C 3.55Å; R3421-S3451 VanDerWaalsContact O-CA 3.31Å; R3421-S3451 WeakPolarHBondContact O-CA 3.1Å; S3451-E3523 PolarHBondContact N-O 3.09Å; S3451-E3523 PolarHBondContact OG-O 3.49Å; S3451-E3523 VanDerWaalsContact OG-O 3.05Å; S3451-L3524 VanDerWaalsContact OG-CA 3.31Å; S3451-L3524 WeakPolarHBondContact OG-CA 3.36Å; S3451-K3525 PolarHBondContact OG-N 2.82Å; S3451-K3525 VanDerWaalsContact OG-N 3.12Å |
| 3452 | D | 87.3 | Confident | 82.9 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.1 | 174.7 | -55.2 | -39.3 | 0 | 0 | 0 | 108.4 | F3420 R3421 | F3420-D3452 CarbonylContact C-O 3.51Å; F3420-D3452 WeakPolarHBondContact CA-O 3.17Å; R3421-D3452 PolarHBondContact N-O 2.83Å; R3421-D3452 PolarHBondContact O-N 2.98Å |
| 3453 | F | 84.8 | Confident | 83.9 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 20% | 0.202 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.1 | 177 | -69.6 | -98.4 | 0 | 0 | 0 | 109.4 | I3417 F3420 V3457 P3526 | I3417-F3453 HydrophobicContact CG2-CE1 4.39Å; F3420-F3453 HydrophobicContact CB-CD1 3.38Å; F3420-F3453 HydrophobicContact CB-CE1 3.54Å; F3420-F3453 HydrophobicContact CB-CG 3.96Å; F3420-F3453 HydrophobicContact CB-CZ 4.26Å; F3420-F3453 HydrophobicContact CD1-CE1 4.16Å; F3420-F3453 HydrophobicContact CD2-CE1 4.39Å; F3420-F3453 HydrophobicContact CG-CD1 4.16Å; F3420-F3453 AromaticContact CG-CE1 3.8Å; F3420-F3453 HydrophobicContact CG-CE1 3.8Å; F3420-F3453 HydrophobicContact CG-CZ 4.4Å; F3453-V3457 HydrophobicContact CD1-CG2 4.2Å; F3453-V3457 HydrophobicContact CE1-CG2 4.18Å; F3453-P3526 HydrophobicContact CD1-CB 4.24Å; F3453-P3526 HydrophobicContact CD2-CB 3.68Å; F3453-P3526 HydrophobicContact CD2-CG 4.32Å; F3453-P3526 HydrophobicContact CE1-CB 4.14Å; F3453-P3526 HydrophobicContact CE2-CB 3.55Å; F3453-P3526 HydrophobicContact CE2-CG 3.81Å; F3453-P3526 HydrophobicContact CG-CB 4.03Å; F3453-P3526 HydrophobicContact CZ-CB 3.8Å; F3453-P3526 HydrophobicContact CZ-CG 4.15Å |
| 3454 | D | 82.8 | Confident | 84.5 | Confident | 97 Ų | 97 | 53.8 Ų | 53.8 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -78.4 | -25.8 | -177.9 | -67.4 | -11.6 | 0 | 0 | 0 | 112.3 | C3419 | C3419-D3454 HydrophobicContact CB-CB 4.14Å; C3419-D3454 WeakPolarHBondContact CB-OD2 3.42Å; C3419-D3454 PolarHBondContact O-N 2.79Å |
| 3455 | N | 81.9 | Confident | 84.8 | Confident | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.353 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -149.1 | -177.7 | 178.7 | -156 | -16.2 | 0 | 0 | 0 | 111.3 | D3356 P3418 | D3356-N3455 PolarHBondContact OD1-ND2 2.61Å; P3418-N3455 HydrophobicContact CB-CB 3.88Å; P3418-N3455 HydrophobicContact CG-CB 3.96Å; P3418-N3455 VanDerWaalsContact CG-O 3.26Å; P3418-N3455 WeakPolarHBondContact CG-O 3.4Å |
| 3456 | C | 82.6 | Confident | 84.6 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 143.1 | 178.7 | -59 | 0 | 0 | 0 | 0 | 112.4 | H3527 Q3529 | C3456-H3527 CarbonylContact C-O 3.47Å; C3456-H3527 WeakPolarHBondContact CA-O 3.48Å; C3456-H3527 HydrophobicContact CB-CB 4.27Å; C3456-H3527 WeakPolarHBondContact CB-O 3.28Å; C3456-H3527 WeakPolarHBondContact SG-CB 3.47Å; C3456-Q3529 HydrophobicContact CB-CB 4.24Å |
| 3457 | V | 84.9 | Confident | 84.5 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.2 | 168.8 | -180 | 0 | 0 | 0 | 0 | 108.5 | I3417 F3453 V3459 P3526 H3527 V3528 Q3529 | I3417-V3457 HydrophobicContact CG1-CG1 4.19Å; I3417-V3457 HydrophobicContact CG2-CG2 4.38Å; F3453-V3457 HydrophobicContact CD1-CG2 4.2Å; F3453-V3457 HydrophobicContact CE1-CG2 4.18Å; V3457-V3459 HydrophobicContact CG1-CG2 4.48Å; V3457-P3526 HydrophobicContact CG2-CB 4.12Å; V3457-H3527 PolarHBondContact N-O 3.18Å; V3457-V3528 HydrophobicContact CB-CG2 4.42Å; V3457-V3528 WeakPolarHBondContact O-CA 3.13Å; V3457-Q3529 PolarHBondContact O-N 3.25Å |
| 3458 | L | 84.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.3 | 178.8 | -51.2 | 173.2 | 0 | 0 | 0 | 109.6 | F3415 K3416 Q3529 | F3415-L3458 CarbonylContact C-O 3.49Å; F3415-L3458 WeakPolarHBondContact CA-O 3.36Å; K3416-L3458 HydrophobicContact CB-CB 4.12Å; K3416-L3458 HydrophobicContact CB-CD1 4.31Å; K3416-L3458 HydrophobicContact CD-CD1 3.99Å; K3416-L3458 PolarHBondContact N-O 2.95Å; K3416-L3458 PolarHBondContact O-N 2.71Å; L3458-Q3529 HydrophobicContact CD2-CB 4Å; L3458-Q3529 VanDerWaalsContact CD2-OE1 3.31Å |
| 3459 | V | 84.2 | Confident | 84.1 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.3 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L3414 F3415 V3457 L3466 V3528 Q3529 I3540 | L3414-V3459 WeakPolarHBondContact O-CA 3.48Å; F3415-V3459 HydrophobicContact CD1-CB 4.49Å; F3415-V3459 HydrophobicContact CD1-CG1 4.32Å; F3415-V3459 HydrophobicContact CD1-CG2 3.78Å; F3415-V3459 HydrophobicContact CE1-CB 4.37Å; F3415-V3459 HydrophobicContact CE1-CG1 3.83Å; F3415-V3459 HydrophobicContact CE1-CG2 3.73Å; F3415-V3459 HydrophobicContact CZ-CG1 4.45Å; V3457-V3459 HydrophobicContact CG1-CG2 4.48Å; V3459-L3466 HydrophobicContact CG1-CD1 4.34Å; V3459-L3466 HydrophobicContact CG1-CD2 4.32Å; V3459-V3528 HydrophobicContact CB-CG1 4.38Å; V3459-V3528 HydrophobicContact CG2-CG1 3.31Å; V3459-Q3529 PolarHBondContact N-O 3.14Å; V3459-Q3529 VanDerWaalsContact N-O 3.13Å; V3459-I3540 HydrophobicContact CG2-CD1 4.39Å |
| 3460 | T | 82.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | trans | -58.2 | 152.4 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 113.1 | A3413 L3414 E3462 L3466 W3530 | A3413-T3460 VanDerWaalsContact O-CB 3.32Å; A3413-T3460 WeakPolarHBondContact O-CB 3.46Å; L3414-T3460 HydrophobicContact CD2-CG2 3.95Å; L3414-T3460 PolarHBondContact O-N 2.81Å; T3460-E3462 HydrophobicContact CG2-CB 4.45Å; T3460-E3462 PolarHBondContact OG1-N 3.41Å; T3460-L3466 HydrophobicContact CG2-CD2 4.39Å; T3460-L3466 HydrophobicContact CG2-CG 4.06Å; T3460-W3530 VanDerWaalsContact O-CD1 3.29Å; T3460-W3530 PolarHBondContact O-NE1 2.76Å | ||
| 3461 | H | 77.5 | Confident | 83.6 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -82.6 | -20.2 | 173.3 | -64.1 | -137.8 | 0 | 0 | 0 | 112 | L3463 M3531 | H3461-L3463 PolarHBondContact O-N 2.85Å; H3461-M3531 HydrophobicContact CB-SD 4.47Å; H3461-M3531 WeakPolarHBondContact CE1-CA 3.25Å; H3461-M3531 VanDerWaalsContact CE1-SD 3.51Å; H3461-M3531 WeakPolarHBondContact ND1-CG 3.33Å; H3461-M3531 PolarHBondContact ND1-SD 3.48Å; H3461-M3531 PolarHBondContact NE2-N 2.9Å |
| 3462 | E | 81.2 | Confident | 83.5 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | trans | -78.7 | 100.6 | -176.4 | -64.3 | 173.8 | -175 | 0 | 0 | 111.3 | S3412 T3460 E3464 S3465 L3466 | S3412-E3462 WeakPolarHBondContact CB-OE2 3.46Å; S3412-E3462 PolarHBondContact OG-OE2 3.24Å; T3460-E3462 HydrophobicContact CG2-CB 4.45Å; T3460-E3462 PolarHBondContact OG1-N 3.41Å; E3462-E3464 PolarHBondContact O-N 2.84Å; E3462-S3465 PolarHBondContact O-N 3.39Å; E3462-S3465 VanDerWaalsContact O-N 3.11Å; E3462-S3465 PolarHBondContact OE2-OG 2.93Å; E3462-L3466 PolarHBondContact O-N 2.84Å | ||
| 3463 | L | 79.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -33 | 176.6 | -171 | 66.5 | 0 | 0 | 0 | 112.4 | H3461 S3465 L3466 N3467 | H3461-L3463 PolarHBondContact O-N 2.85Å; L3463-S3465 VanDerWaalsContact C-N 3.26Å; L3463-S3465 PolarHBondContact O-N 3.15Å; L3463-L3466 PolarHBondContact O-N 2.86Å; L3463-N3467 PolarHBondContact O-N 2.84Å |
| 3464 | E | 82.9 | Confident | 83.3 | Confident | 147 Ų | 147 | 58.5 Ų | 58.5 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58 | -39.8 | 175.4 | -65.3 | -176.5 | -177.4 | 0 | 0 | 112.4 | E3462 N3467 F3468 | E3462-E3464 PolarHBondContact O-N 2.84Å; E3464-N3467 PolarHBondContact O-N 2.76Å; E3464-F3468 WeakPolarHBondContact O-CB 3.29Å; E3464-F3468 PolarHBondContact O-N 2.8Å |
| 3465 | S | 83.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73 | -32.7 | -177.1 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | R3364 S3412 L3414 E3462 L3463 L3469 | R3364-S3465 PolarHBondContact NH1-OG 2.83Å; S3412-S3465 PolarHBondContact OG-OG 2.86Å; L3414-S3465 VanDerWaalsContact CD2-O 3.23Å; L3414-S3465 WeakPolarHBondContact CD2-O 3.31Å; E3462-S3465 PolarHBondContact O-N 3.39Å; E3462-S3465 VanDerWaalsContact O-N 3.11Å; E3462-S3465 PolarHBondContact OE2-OG 2.93Å; L3463-S3465 VanDerWaalsContact C-N 3.26Å; L3463-S3465 PolarHBondContact O-N 3.15Å; S3465-L3469 PolarHBondContact O-N 2.87Å |
| 3466 | L | 80.1 | Confident | 83.3 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | 170.3 | -69.7 | 172.8 | 0 | 0 | 0 | 112.6 | F3415 V3459 T3460 E3462 L3463 F3468 L3469 R3470 | F3415-L3466 HydrophobicContact CE1-CD2 4.35Å; F3415-L3466 HydrophobicContact CE2-CD2 3.83Å; F3415-L3466 HydrophobicContact CZ-CD2 3.47Å; F3415-L3466 VanDerWaalsContact CZ-CD2 3.47Å; V3459-L3466 HydrophobicContact CG1-CD1 4.34Å; V3459-L3466 HydrophobicContact CG1-CD2 4.32Å; T3460-L3466 HydrophobicContact CG2-CD2 4.39Å; T3460-L3466 HydrophobicContact CG2-CG 4.06Å; E3462-L3466 PolarHBondContact O-N 2.84Å; L3463-L3466 PolarHBondContact O-N 2.86Å; L3466-F3468 VanDerWaalsContact C-N 3.34Å; L3466-L3469 PolarHBondContact O-N 2.66Å; L3466-R3470 PolarHBondContact O-N 2.79Å; L3466-R3470 VanDerWaalsContact O-N 3.14Å |
| 3467 | N | 83.9 | Confident | 83 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.5 | -75 | -21.4 | 0 | 0 | 0 | 111.5 | L3463 E3464 L3469 R3470 E3471 | L3463-N3467 PolarHBondContact O-N 2.84Å; E3464-N3467 PolarHBondContact O-N 2.76Å; N3467-L3469 VanDerWaalsContact C-N 3.32Å; N3467-L3469 PolarHBondContact O-N 2.84Å; N3467-R3470 WeakPolarHBondContact O-CB 3.39Å; N3467-R3470 PolarHBondContact O-N 3.37Å; N3467-R3470 VanDerWaalsContact O-N 3.16Å; N3467-E3471 WeakPolarHBondContact O-CG 3.41Å; N3467-E3471 PolarHBondContact O-N 3.12Å |
| 3468 | F | 87.2 | Confident | 82.4 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.1 | -45.4 | 173.4 | 165.4 | -100.4 | 0 | 0 | 0 | 112.2 | H3301 Q3310 A3312 R3364 E3464 L3466 R3470 E3471 L3472 | H3301-F3468 HydrophobicContact CB-CE2 4.26Å; Q3310-F3468 HydrophobicContact CB-CE2 3.91Å; Q3310-F3468 HydrophobicContact CB-CZ 4.1Å; A3312-F3468 HydrophobicContact CB-CE1 4.16Å; R3364-F3468 HydrophobicContact CB-CD1 4.3Å; R3364-F3468 HydrophobicContact CB-CE1 4.34Å; R3364-F3468 HydrophobicContact CG-CD1 3.79Å; R3364-F3468 HydrophobicContact CG-CE1 3.85Å; R3364-F3468 HydrophobicContact CG-CG 4.48Å; E3464-F3468 WeakPolarHBondContact O-CB 3.29Å; E3464-F3468 PolarHBondContact O-N 2.8Å; L3466-F3468 VanDerWaalsContact C-N 3.34Å; F3468-R3470 VanDerWaalsContact C-N 3.34Å; F3468-R3470 PolarHBondContact O-N 3.02Å; F3468-E3471 PolarHBondContact O-N 3.05Å; F3468-L3472 HydrophobicContact CE1-CD2 4.48Å; F3468-L3472 HydrophobicContact CZ-CD1 4.46Å; F3468-L3472 HydrophobicContact CZ-CD2 4.43Å; F3468-L3472 VanDerWaalsContact O-CB 3.31Å; F3468-L3472 WeakPolarHBondContact O-CB 3.45Å; F3468-L3472 PolarHBondContact O-N 2.89Å |
| 3469 | L | 87 | Confident | 81.3 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 178.5 | -177.5 | 66.8 | 0 | 0 | 0 | 111.4 | A3312 F3314 V3362 L3414 F3415 S3465 L3466 N3467 L3472 V3473 | A3312-L3469 HydrophobicContact CB-CD1 4.48Å; F3314-L3469 HydrophobicContact CE1-CD1 4.13Å; F3314-L3469 HydrophobicContact CZ-CD1 3.77Å; V3362-L3469 HydrophobicContact CG1-CD1 4.49Å; L3414-L3469 HydrophobicContact CD1-CB 4.17Å; L3414-L3469 HydrophobicContact CD1-CD1 4.49Å; L3414-L3469 HydrophobicContact CD1-CD2 4.36Å; F3415-L3469 HydrophobicContact CD2-CD2 4.4Å; F3415-L3469 HydrophobicContact CE2-CD2 3.73Å; S3465-L3469 PolarHBondContact O-N 2.87Å; L3466-L3469 PolarHBondContact O-N 2.66Å; N3467-L3469 VanDerWaalsContact C-N 3.32Å; N3467-L3469 PolarHBondContact O-N 2.84Å; L3469-L3472 PolarHBondContact O-N 2.87Å; L3469-V3473 HydrophobicContact CD1-CG2 4.43Å; L3469-V3473 WeakPolarHBondContact O-CG2 3.5Å; L3469-V3473 PolarHBondContact O-N 2.82Å |
| 3470 | R | 83.7 | Confident | 80.2 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.2 | -179.6 | 178.2 | 170.7 | 171.6 | -3.5 | 111.8 | L3466 N3467 F3468 S3474 | L3466-R3470 PolarHBondContact O-N 2.79Å; L3466-R3470 VanDerWaalsContact O-N 3.14Å; N3467-R3470 WeakPolarHBondContact O-CB 3.39Å; N3467-R3470 PolarHBondContact O-N 3.37Å; N3467-R3470 VanDerWaalsContact O-N 3.16Å; F3468-R3470 VanDerWaalsContact C-N 3.34Å; F3468-R3470 PolarHBondContact O-N 3.02Å; R3470-S3474 VanDerWaalsContact O-CB 3.29Å; R3470-S3474 WeakPolarHBondContact O-CB 3.31Å; R3470-S3474 PolarHBondContact O-N 3.49Å; R3470-S3474 PolarHBondContact O-OG 2.83Å |
| 3471 | E | 85.7 | Confident | 79.1 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 175.3 | -74 | 179.9 | -175.3 | 0 | 0 | 111.5 | N3467 F3468 S3474 S3475 | N3467-E3471 WeakPolarHBondContact O-CG 3.41Å; N3467-E3471 PolarHBondContact O-N 3.12Å; F3468-E3471 PolarHBondContact O-N 3.05Å; E3471-S3474 PolarHBondContact O-N 3.09Å; E3471-S3475 VanDerWaalsContact O-CB 3.23Å; E3471-S3475 WeakPolarHBondContact O-CB 3.23Å; E3471-S3475 PolarHBondContact O-N 3.17Å |
| 3472 | L | 87.2 | Confident | 77.9 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -54.1 | 176.7 | -172.1 | 76.3 | 0 | 0 | 0 | 110.6 | C3299 H3301 A3312 F3468 L3469 S3474 S3475 Y3476 | C3299-L3472 HydrophobicContact CB-CD2 4.03Å; H3301-L3472 HydrophobicContact CB-CD1 3.76Å; A3312-L3472 HydrophobicContact CB-CD2 3.38Å; F3468-L3472 HydrophobicContact CE1-CD2 4.48Å; F3468-L3472 HydrophobicContact CZ-CD1 4.46Å; F3468-L3472 HydrophobicContact CZ-CD2 4.43Å; F3468-L3472 VanDerWaalsContact O-CB 3.31Å; F3468-L3472 WeakPolarHBondContact O-CB 3.45Å; F3468-L3472 PolarHBondContact O-N 2.89Å; L3469-L3472 PolarHBondContact O-N 2.87Å; L3472-S3474 VanDerWaalsContact C-N 3.34Å; L3472-S3474 PolarHBondContact O-N 3.43Å; L3472-S3475 WeakPolarHBondContact O-CB 3.4Å; L3472-S3475 PolarHBondContact O-N 2.8Å; L3472-S3475 PolarHBondContact O-OG 3.28Å; L3472-Y3476 HydrophobicContact CD1-CD2 4.37Å; L3472-Y3476 HydrophobicContact CD1-CE2 3.81Å; L3472-Y3476 HydrophobicContact CG-CD2 4.31Å; L3472-Y3476 HydrophobicContact CG-CE2 4.08Å; L3472-Y3476 VanDerWaalsContact O-CD2 3.31Å; L3472-Y3476 WeakPolarHBondContact O-CD2 3.3Å; L3472-Y3476 PolarHBondContact O-N 3Å; L3472-Y3476 VanDerWaalsContact O-N 3.17Å |
| 3473 | V | 84 | Confident | 76.3 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | L3469 S3475 Y3476 V3477 | L3469-V3473 HydrophobicContact CD1-CG2 4.43Å; L3469-V3473 WeakPolarHBondContact O-CG2 3.5Å; L3469-V3473 PolarHBondContact O-N 2.82Å; V3473-S3475 PolarHBondContact O-N 3.43Å; V3473-Y3476 PolarHBondContact O-N 2.8Å; V3473-V3477 HydrophobicContact CG1-CG2 4.34Å; V3473-V3477 WeakPolarHBondContact O-CG2 3.22Å; V3473-V3477 PolarHBondContact O-N 3.3Å |
| 3474 | S | 82.2 | Confident | 74.4 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | R3470 E3471 L3472 Y3476 V3477 I3478 | R3470-S3474 VanDerWaalsContact O-CB 3.29Å; R3470-S3474 WeakPolarHBondContact O-CB 3.31Å; R3470-S3474 PolarHBondContact O-N 3.49Å; R3470-S3474 PolarHBondContact O-OG 2.83Å; E3471-S3474 PolarHBondContact O-N 3.09Å; L3472-S3474 VanDerWaalsContact C-N 3.34Å; L3472-S3474 PolarHBondContact O-N 3.43Å; S3474-Y3476 PolarHBondContact O-N 2.81Å; S3474-V3477 PolarHBondContact O-N 2.82Å; S3474-I3478 WeakPolarHBondContact O-CB 3.45Å; S3474-I3478 WeakPolarHBondContact O-CD1 3.47Å; S3474-I3478 WeakPolarHBondContact O-CG1 3.49Å; S3474-I3478 PolarHBondContact O-N 3.2Å |
| 3475 | S | 82.1 | Confident | 72.4 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -33.1 | -179 | 82.7 | 0 | 0 | 0 | 0 | 113.8 | R3195 E3471 L3472 V3473 S3479 | R3195-S3475 PolarHBondContact NE-O 3.01Å; E3471-S3475 VanDerWaalsContact O-CB 3.23Å; E3471-S3475 WeakPolarHBondContact O-CB 3.23Å; E3471-S3475 PolarHBondContact O-N 3.17Å; L3472-S3475 WeakPolarHBondContact O-CB 3.4Å; L3472-S3475 PolarHBondContact O-N 2.8Å; L3472-S3475 PolarHBondContact O-OG 3.28Å; V3473-S3475 PolarHBondContact O-N 3.43Å; S3475-S3479 VanDerWaalsContact O-CB 3.3Å; S3475-S3479 WeakPolarHBondContact O-CB 3.36Å; S3475-S3479 PolarHBondContact O-N 3.14Å; S3475-S3479 VanDerWaalsContact O-N 3.13Å; S3475-S3479 PolarHBondContact O-OG 3.34Å; S3475-S3479 VanDerWaalsContact O-OG 3.12Å |
| 3476 | Y | 82.9 | Confident | 70 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.6 | -36.6 | 175.1 | -83.8 | -107 | 0 | 0 | 0 | 112 | M3193 T3194 R3195 C3299 F3300 L3472 V3473 S3474 S3479 S3480 | M3193-Y3476 HydrophobicContact CB-CE1 4.48Å; M3193-Y3476 PolarHBondContact O-OH 3.21Å; T3194-Y3476 VanDerWaalsContact C-CZ 3.48Å; T3194-Y3476 WeakPolarHBondContact CA-OH 3.48Å; T3194-Y3476 WeakPolarHBondContact O-CE1 3.22Å; T3194-Y3476 PolarHBondContact O-OH 3.19Å; R3195-Y3476 HydrophobicContact CB-CE2 4.18Å; R3195-Y3476 HydrophobicContact CG-CD2 4.5Å; R3195-Y3476 PolarHBondContact N-OH 2.98Å; C3299-Y3476 HydrophobicContact CB-CE2 4.31Å; F3300-Y3476 PolarHBondContact N-OH 3.19Å; F3300-Y3476 PolarHBondContact O-OH 3.1Å; L3472-Y3476 HydrophobicContact CD1-CD2 4.37Å; L3472-Y3476 HydrophobicContact CD1-CE2 3.81Å; L3472-Y3476 HydrophobicContact CG-CD2 4.31Å; L3472-Y3476 HydrophobicContact CG-CE2 4.08Å; L3472-Y3476 VanDerWaalsContact O-CD2 3.31Å; L3472-Y3476 WeakPolarHBondContact O-CD2 3.3Å; L3472-Y3476 PolarHBondContact O-N 3Å; L3472-Y3476 VanDerWaalsContact O-N 3.17Å; V3473-Y3476 PolarHBondContact O-N 2.8Å; S3474-Y3476 PolarHBondContact O-N 2.81Å; Y3476-S3479 WeakPolarHBondContact CA-OG 3.35Å; Y3476-S3479 PolarHBondContact O-OG 2.84Å; Y3476-S3479 VanDerWaalsContact O-OG 3.04Å; Y3476-S3480 PolarHBondContact O-N 3.38Å; Y3476-S3480 VanDerWaalsContact O-N 3.13Å |
| 3477 | V | 76.8 | Confident | 67.9 | Low | 43 Ų | 43 | 70.1 Ų | 70.1 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | V3473 S3474 S3479 S3480 Y3481 W3556 | V3473-V3477 HydrophobicContact CG1-CG2 4.34Å; V3473-V3477 WeakPolarHBondContact O-CG2 3.22Å; V3473-V3477 PolarHBondContact O-N 3.3Å; S3474-V3477 PolarHBondContact O-N 2.82Å; V3477-S3479 VanDerWaalsContact C-N 3.35Å; V3477-S3479 PolarHBondContact O-N 3.14Å; V3477-S3480 WeakPolarHBondContact O-CB 3.48Å; V3477-S3480 PolarHBondContact O-N 2.99Å; V3477-S3480 VanDerWaalsContact O-N 3.16Å; V3477-S3480 PolarHBondContact O-OG 3.48Å; V3477-Y3481 HydrophobicContact CG1-CD2 4.28Å; V3477-Y3481 HydrophobicContact CG1-CE2 3.88Å; V3477-Y3481 WeakPolarHBondContact O-CD2 3.4Å; V3477-W3556 HydrophobicContact CG2-CH2 4.35Å |
| 3478 | I | 72.1 | Confident | 65.6 | Low | 94 Ų | 94 | 72.4 Ų | 72.4 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.9 | -67 | 164 | 0 | 0 | 0 | 111.2 | S3474 S3480 Y3481 S3482 | S3474-I3478 WeakPolarHBondContact O-CB 3.45Å; S3474-I3478 WeakPolarHBondContact O-CD1 3.47Å; S3474-I3478 WeakPolarHBondContact O-CG1 3.49Å; S3474-I3478 PolarHBondContact O-N 3.2Å; I3478-S3480 VanDerWaalsContact C-N 3.25Å; I3478-S3480 PolarHBondContact O-N 3.41Å; I3478-Y3481 PolarHBondContact O-N 2.64Å; I3478-S3482 VanDerWaalsContact CG2-OG 3.28Å; I3478-S3482 WeakPolarHBondContact CG2-OG 3.34Å; I3478-S3482 PolarHBondContact O-N 2.89Å; I3478-S3482 PolarHBondContact O-OG 3.47Å |
| 3479 | S | 61.2 | Low | 63.2 | Low | 8 Ų | 8 | 79.3 Ų | 79.3 | 6% | 0.056 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.2 | -25.9 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 113 | R3195 S3475 Y3476 V3477 Y3481 | R3195-S3479 PolarHBondContact O-OG 3.08Å; S3475-S3479 VanDerWaalsContact O-CB 3.3Å; S3475-S3479 WeakPolarHBondContact O-CB 3.36Å; S3475-S3479 PolarHBondContact O-N 3.14Å; S3475-S3479 VanDerWaalsContact O-N 3.13Å; S3475-S3479 PolarHBondContact O-OG 3.34Å; S3475-S3479 VanDerWaalsContact O-OG 3.12Å; Y3476-S3479 WeakPolarHBondContact CA-OG 3.35Å; Y3476-S3479 PolarHBondContact O-OG 2.84Å; Y3476-S3479 VanDerWaalsContact O-OG 3.04Å; V3477-S3479 VanDerWaalsContact C-N 3.35Å; V3477-S3479 PolarHBondContact O-N 3.14Å; S3479-Y3481 VanDerWaalsContact C-N 3.3Å; S3479-Y3481 PolarHBondContact O-N 3.2Å |
| 3480 | S | 61.1 | Low | 60.7 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 25% | 0.252 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.6 | -29 | 175.4 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | Y3476 V3477 I3478 | Y3476-S3480 PolarHBondContact O-N 3.38Å; Y3476-S3480 VanDerWaalsContact O-N 3.13Å; V3477-S3480 WeakPolarHBondContact O-CB 3.48Å; V3477-S3480 PolarHBondContact O-N 2.99Å; V3477-S3480 VanDerWaalsContact O-N 3.16Å; V3477-S3480 PolarHBondContact O-OG 3.48Å; I3478-S3480 VanDerWaalsContact C-N 3.25Å; I3478-S3480 PolarHBondContact O-N 3.41Å |
| 3481 | Y | 58.9 | Low | 58.4 | Low | 172 Ų | 172 | 88.9 Ų | 88.9 | 68% | 0.675 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -103.7 | -32.8 | -178.6 | -60.2 | -69.6 | 0 | 0 | 0 | 114 | V3477 I3478 S3479 | V3477-Y3481 HydrophobicContact CG1-CD2 4.28Å; V3477-Y3481 HydrophobicContact CG1-CE2 3.88Å; V3477-Y3481 WeakPolarHBondContact O-CD2 3.4Å; I3478-Y3481 PolarHBondContact O-N 2.64Å; S3479-Y3481 VanDerWaalsContact C-N 3.3Å; S3479-Y3481 PolarHBondContact O-N 3.2Å |
| 3482 | S | 52.9 | Low | 55.9 | Low | 65 Ų | 65 | 94.5 Ų | 94.5 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | trans | -105.8 | 96 | -178 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | I3478 | I3478-S3482 VanDerWaalsContact CG2-OG 3.28Å; I3478-S3482 WeakPolarHBondContact CG2-OG 3.34Å; I3478-S3482 PolarHBondContact O-N 2.89Å; I3478-S3482 PolarHBondContact O-OG 3.47Å | ||
| 3483 | G | 47 | Very low | 53.5 | Low | 28 Ų | 28 | 101.5 Ų | 101.5 | 29% | 0.289 | 54% | 0.537 | S | S | . | . | trans | -65.3 | 146.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y3199 R3485 | Y3199-G3483 WeakPolarHBondContact OH-CA 3.41Å; G3483-R3485 PolarHBondContact O-N 3.16Å | ||
| 3484 | P | 41 | Very low | 51.1 | Low | 98 Ų | 98 | 102.4 Ų | 102.4 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -77.4 | 57.7 | 177.5 | 31.8 | -32.4 | 0 | 0 | 0 | 111.6 | Y3199 | Y3199-P3484 HydrophobicContact CE1-CG 4.16Å; Y3199-P3484 WeakPolarHBondContact OH-CD 3.25Å |
| 3485 | R | 39.9 | Very low | 49 | Very low | 220 Ų | 220 | 105.7 Ų | 105.7 | 83% | 0.83 | 58% | 0.575 | S | S | * | * | trans | -142 | 111 | 169.8 | -84.3 | -171.6 | 171.5 | -177.2 | -3.9 | 108.8 | G3483 | G3483-R3485 PolarHBondContact O-N 3.16Š| ||
| 3486 | G | 34.1 | Very low | 46.7 | Very low | 52 Ų | 52 | 109.4 Ų | 109.4 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | trans | 147 | 40.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | D3488 | G3486-D3488 PolarHBondContact O-N 3.14Š| ||
| 3487 | T | 36 | Very low | 44.4 | Very low | 139 Ų | 139 | 111.5 Ų | 111.5 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 4.6 | 161.6 | 31.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 3488 | D | 34.4 | Very low | 42.4 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 5.3 | -174.4 | -72 | -42.1 | 0 | 0 | 0 | 116.4 | G3486 | G3486-D3488 PolarHBondContact O-N 3.14Š|
| 3489 | I | 36.7 | Very low | 40.5 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -88.4 | -11.7 | 175.6 | -62.4 | 176.4 | 0 | 0 | 0 | 112.6 | ||
| 3490 | S | 35.5 | Very low | 39.2 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -92.6 | 8.9 | 178.6 | -112 | 0 | 0 | 0 | 0 | 115.6 | ||
| 3491 | R | 34.8 | Very low | 37.8 | Very low | 216 Ų | 216 | 135.1 Ų | 135.1 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -115.7 | 8.6 | -174.8 | -104.1 | -178.1 | -175.3 | 171.2 | 1.2 | 116.5 | ||
| 3492 | R | 33.8 | Very low | 36.5 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -111.4 | 13.8 | -178.6 | -85.2 | -171.3 | -176.3 | 176.2 | 2.4 | 116.9 | ||
| 3493 | V | 35.9 | Very low | 35.4 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 92% | 0.915 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 70.1 | 167.6 | -168.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3494 | A | 33.5 | Very low | 34.6 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -127.7 | 75.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3495 | S | 38.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -171.9 | 97 | 165.4 | 165.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 3496 | G | 34.7 | Very low | 33.3 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | 81.2 | 116.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3497 | G | 33.8 | Very low | 33.1 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 119.1 | 98.3 | 151 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3498 | Q | 35.5 | Very low | 32.7 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | 53.4 | 107 | 157.5 | -82.7 | 173.3 | -17 | 0 | 0 | 120.1 | ||||
| 3499 | R | 31.7 | Very low | 32.8 | Very low | 248 Ų | 248 | 139 Ų | 139 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 119.4 | 164.1 | -72.1 | 177.3 | 179.3 | 168.4 | -0.2 | 110.7 | ||
| 3500 | V | 33.4 | Very low | 33 | Very low | 128 Ų | 128 | 136 Ų | 136 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 125.9 | 151.7 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | L3502 | V3500-L3502 PolarHBondContact O-N 2.92Š|
| 3501 | P | 31.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 120.6 | 179.6 | 27.7 | -25.2 | 0 | 0 | 0 | 110.5 | T3503 | P3501-T3503 PolarHBondContact O-N 2.84Å; P3501-T3503 VanDerWaalsContact O-N 3.15Å |
| 3502 | L | 31.6 | Very low | 34.4 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 101.9 | 166.2 | -81.9 | 124.9 | 0 | 0 | 0 | 109.4 | V3500 | V3500-L3502 PolarHBondContact O-N 2.92Š| ||
| 3503 | T | 31.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 127.7 | 168.9 | 47 | 0 | 0 | 0 | 0 | 111 | P3501 | P3501-T3503 PolarHBondContact O-N 2.84Å; P3501-T3503 VanDerWaalsContact O-N 3.15Å | ||
| 3504 | S | 29.2 | Very low | 37.3 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 56.2 | 111.4 | 152.4 | 61.6 | 0 | 0 | 0 | 0 | 120.4 | ||
| 3505 | G | 26.7 | Very low | 39.4 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | 97.9 | 16.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | E3507 | G3505-E3507 PolarHBondContact O-N 2.78Š| ||
| 3506 | G | 26.6 | Very low | 41.4 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | trans | -81.2 | 102.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | V3508 | G3506-V3508 PolarHBondContact O-N 2.9Š| ||
| 3507 | E | 29.3 | Very low | 43.6 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | trans | -59.8 | 124.6 | 166.8 | -69.6 | 170.7 | 173.3 | 0 | 0 | 109.9 | G3505 Y3509 K3547 | G3505-E3507 PolarHBondContact O-N 2.78Å; E3507-Y3509 VanDerWaalsContact C-N 3.26Å; E3507-Y3509 HydrophobicContact CB-CD2 3.54Å; E3507-Y3509 HydrophobicContact CB-CE2 3.65Å; E3507-Y3509 HydrophobicContact CG-CE2 4.21Å; E3507-Y3509 PolarHBondContact O-N 3.17Å; E3507-Y3509 WeakPolarHBondContact OE2-CE2 3.49Å; E3507-K3547 IonicContact OE1-NZ 3.05Å; E3507-K3547 PolarHBondContact OE1-NZ 2.98Å | ||
| 3508 | V | 29.5 | Very low | 46 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | trans | -69.9 | 82.5 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 109 | G3506 | G3506-V3508 PolarHBondContact O-N 2.9Š| ||
| 3509 | Y | 36.4 | Very low | 48.3 | Very low | 145 Ų | 145 | 104.6 Ų | 104.6 | 57% | 0.569 | 60% | 0.602 | S | S | * | * | trans | -121 | 99.7 | 167.3 | -71.1 | -71.6 | 0 | 0 | 0 | 108.8 | E3507 L3511 | E3507-Y3509 VanDerWaalsContact C-N 3.26Å; E3507-Y3509 HydrophobicContact CB-CD2 3.54Å; E3507-Y3509 HydrophobicContact CB-CE2 3.65Å; E3507-Y3509 HydrophobicContact CG-CE2 4.21Å; E3507-Y3509 PolarHBondContact O-N 3.17Å; E3507-Y3509 WeakPolarHBondContact OE2-CE2 3.49Å; Y3509-L3511 PolarHBondContact O-N 3.38Å | ||
| 3510 | P | 39.3 | Very low | 50.9 | Low | 94 Ų | 94 | 100.2 Ų | 100.2 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | trans | -93.4 | 95.2 | 173.2 | 32.7 | -24.2 | 0 | 0 | 0 | 109.7 | ||||
| 3511 | L | 49 | Very low | 53.4 | Low | 129 Ų | 129 | 97.1 Ų | 97.1 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | trans | 170.5 | 87.2 | 149.6 | -100.2 | 140.7 | 0 | 0 | 0 | 104.2 | Y3509 D3513 | Y3509-L3511 PolarHBondContact O-N 3.38Å; L3511-D3513 PolarHBondContact O-N 3.39Å | ||
| 3512 | T | 51.8 | Low | 55.9 | Low | 125 Ų | 125 | 94.1 Ų | 94.1 | 77% | 0.767 | 54% | 0.54 | S | S | * | . | trans | -62.1 | 105.4 | 169.3 | 47 | 0 | 0 | 0 | 0 | 107 | N3514 | T3512-N3514 PolarHBondContact O-N 3.23Å; T3512-N3514 PolarHBondContact O-OD1 3.44Å | ||
| 3513 | D | 63.6 | Low | 58.4 | Low | 42 Ų | 42 | 88.6 Ų | 88.6 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | trans | -68.1 | 117.9 | 174.4 | -176.1 | -2.3 | 0 | 0 | 0 | 108.9 | L3511 R3515 Y3517 R3559 | L3511-D3513 PolarHBondContact O-N 3.39Å; D3513-R3515 PolarHBondContact O-N 3.11Å; D3513-R3515 VanDerWaalsContact OD1-CB 3.25Å; D3513-R3515 WeakPolarHBondContact OD1-CB 3.44Å; D3513-R3515 WeakPolarHBondContact OD1-CD 3.5Å; D3513-R3515 WeakPolarHBondContact OD1-CG 3.29Å; D3513-R3515 PolarHBondContact OD1-N 3.17Å; D3513-R3515 VanDerWaalsContact OD1-N 3.16Å; D3513-R3515 IonicContact OD1-NE 3.8Å; D3513-Y3517 WeakPolarHBondContact OD2-CE2 3.41Å; D3513-Y3517 PolarHBondContact OD2-OH 2.99Å; D3513-Y3517 VanDerWaalsContact OD2-OH 3.07Å; D3513-R3559 VanDerWaalsContact CB-CZ 3.43Å; D3513-R3559 IonicContact OD2-CZ 2.66Å; D3513-R3559 VanDerWaalsContact OD2-CZ 3.31Å; D3513-R3559 IonicContact OD2-NE 2.88Å; D3513-R3559 PolarHBondContact OD2-NE 3.25Å; D3513-R3559 IonicContact OD2-NH2 2.72Å; D3513-R3559 PolarHBondContact OD2-NH2 3.16Å | ||
| 3514 | N | 67.5 | Low | 60.7 | Low | 106 Ų | 106 | 85.1 Ų | 85.1 | 57% | 0.567 | 49% | 0.485 | S | S | * | . | trans | -74.9 | 1.6 | -177.4 | -63 | -17.6 | 0 | 0 | 0 | 112.6 | T3512 | T3512-N3514 PolarHBondContact O-N 3.23Å; T3512-N3514 PolarHBondContact O-OD1 3.44Å | ||
| 3515 | R | 77.3 | Confident | 62.7 | Low | 38 Ų | 38 | 86.3 Ų | 86.3 | 14% | 0.143 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.7 | 178.7 | -61 | 170.7 | -167.5 | -173.5 | 8.8 | 111.1 | R3443 V3445 D3513 Y3517 D3563 | R3443-R3515 HydrophobicContact CB-CG 4.04Å; R3443-R3515 CarbonylContact O-C 3.56Å; R3443-R3515 VanDerWaalsContact O-CA 3.29Å; R3443-R3515 WeakPolarHBondContact O-CA 3.27Å; V3445-R3515 HydrophobicContact CG2-CB 3.93Å; V3445-R3515 HydrophobicContact CG2-CG 4.12Å; D3513-R3515 PolarHBondContact O-N 3.11Å; D3513-R3515 VanDerWaalsContact OD1-CB 3.25Å; D3513-R3515 WeakPolarHBondContact OD1-CB 3.44Å; D3513-R3515 WeakPolarHBondContact OD1-CD 3.5Å; D3513-R3515 WeakPolarHBondContact OD1-CG 3.29Å; D3513-R3515 PolarHBondContact OD1-N 3.17Å; D3513-R3515 VanDerWaalsContact OD1-N 3.16Å; D3513-R3515 IonicContact OD1-NE 3.8Å; R3515-Y3517 HydrophobicContact CB-CD2 4.29Å; R3515-Y3517 HydrophobicContact CB-CE2 3.69Å; R3515-Y3517 WeakPolarHBondContact O-CD2 3.13Å; R3515-D3563 IonicContact CZ-OD1 2.63Å; R3515-D3563 IonicContact CZ-OD2 3.71Å; R3515-D3563 IonicContact NH1-OD1 3.77Å; R3515-D3563 PolarHBondContact NH1-OD1 3.01Å; R3515-D3563 IonicContact NH1-OD2 3.68Å; R3515-D3563 IonicContact NH2-OD1 3.12Å; R3515-D3563 PolarHBondContact NH2-OD1 3.44Å; R3515-D3563 VanDerWaalsContact NH2-OD1 3.13Å; R3515-D3563 IonicContact NH2-OD2 2.75Å; R3515-D3563 PolarHBondContact NH2-OD2 3.33Å |
| 3516 | V | 79.2 | Confident | 64.9 | Low | 72 Ų | 72 | 83.1 Ų | 83.1 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.3 | 171 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | P3442 R3443 L3444 V3445 | P3442-V3516 HydrophobicContact CB-CG2 3.73Å; P3442-V3516 HydrophobicContact CG-CG2 4.38Å; R3443-V3516 PolarHBondContact O-N 3.17Å; L3444-V3516 HydrophobicContact CD1-CG1 4.4Å; V3445-V3516 PolarHBondContact N-O 2.93Å |
| 3517 | Y | 81.2 | Confident | 67.1 | Low | 25 Ų | 25 | 85.1 Ų | 85.1 | 10% | 0.098 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.7 | -175.9 | -70.1 | -101.7 | 0 | 0 | 0 | 110.4 | M3426 V3445 D3513 R3515 P3554 K3555 Q3558 | M3426-Y3517 HydrophobicContact CE-CD1 3.87Å; M3426-Y3517 HydrophobicContact CE-CE1 3.58Å; V3445-Y3517 HydrophobicContact CB-CD1 4.22Å; V3445-Y3517 HydrophobicContact CB-CE1 4.4Å; V3445-Y3517 HydrophobicContact CG1-CD1 4.23Å; V3445-Y3517 HydrophobicContact CG1-CE1 4.22Å; V3445-Y3517 WeakPolarHBondContact O-CA 3.32Å; D3513-Y3517 WeakPolarHBondContact OD2-CE2 3.41Å; D3513-Y3517 PolarHBondContact OD2-OH 2.99Å; D3513-Y3517 VanDerWaalsContact OD2-OH 3.07Å; R3515-Y3517 HydrophobicContact CB-CD2 4.29Å; R3515-Y3517 HydrophobicContact CB-CE2 3.69Å; R3515-Y3517 WeakPolarHBondContact O-CD2 3.13Å; Y3517-P3554 HydrophobicContact CD1-CB 4.36Å; Y3517-K3555 HydrophobicContact CD1-CG 4.33Å; Y3517-K3555 HydrophobicContact CD2-CD 4.16Å; Y3517-K3555 HydrophobicContact CD2-CG 3.66Å; Y3517-K3555 HydrophobicContact CE1-CG 4.11Å; Y3517-K3555 HydrophobicContact CE2-CD 4.21Å; Y3517-K3555 HydrophobicContact CE2-CG 3.42Å; Y3517-K3555 VanDerWaalsContact CE2-CG 3.42Å; Y3517-K3555 HydrophobicContact CG-CG 4.11Å; Y3517-Q3558 HydrophobicContact CE1-CB 4.43Å |
| 3518 | T | 84.2 | Confident | 69.3 | Low | 60 Ų | 60 | 79.7 Ų | 79.7 | 37% | 0.368 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.8 | 175 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | L3444 V3445 D3446 C3447 R3520 | L3444-T3518 WeakPolarHBondContact CD1-OG1 3.48Å; V3445-T3518 PolarHBondContact O-N 3.27Å; D3446-T3518 CarbonylContact C-O 3.52Å; D3446-T3518 WeakPolarHBondContact CA-O 3.49Å; D3446-T3518 WeakPolarHBondContact OD1-CB 3.43Å; C3447-T3518 PolarHBondContact N-O 2.82Å; T3518-R3520 PolarHBondContact O-N 2.79Å |
| 3519 | V | 83.6 | Confident | 71.6 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.2 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | C3447 W3522 | C3447-V3519 HydrophobicContact CB-CG2 4.36Å; C3447-V3519 CarbonylContact O-C 3.53Å; C3447-V3519 WeakPolarHBondContact O-CA 3.01Å; V3519-W3522 HydrophobicContact CG1-CB 3.91Å; V3519-W3522 HydrophobicContact CG1-CE3 4.15Å |
| 3520 | R | 86.5 | Confident | 73.4 | Confident | 156 Ų | 156 | 72.1 Ų | 72.1 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -37.1 | 178.7 | -66.8 | -173.8 | 179.4 | -165.5 | 5.1 | 112.8 | D3446 C3447 Q3448 T3518 | D3446-R3520 HydrophobicContact CB-CG 4.44Å; D3446-R3520 IonicContact OD1-CZ 2.67Å; D3446-R3520 IonicContact OD1-NE 3.33Å; D3446-R3520 PolarHBondContact OD1-NE 3.48Å; D3446-R3520 VanDerWaalsContact OD1-NE 3.13Å; D3446-R3520 IonicContact OD1-NH2 2.87Å; D3446-R3520 IonicContact OD2-CZ 3.61Å; D3446-R3520 VanDerWaalsContact OD2-CZ 3.24Å; D3446-R3520 IonicContact OD2-NE 3.04Å; D3446-R3520 PolarHBondContact OD2-NE 3.29Å; D3446-R3520 IonicContact OD2-NH2 3.62Å; D3446-R3520 PolarHBondContact OD2-NH2 3.46Å; C3447-R3520 PolarHBondContact O-N 2.91Å; Q3448-R3520 HydrophobicContact CG-CB 3.89Å; T3518-R3520 PolarHBondContact O-N 2.79Å |
| 3521 | L | 86.8 | Confident | 74.8 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.1 | 179.8 | -177.3 | 68.2 | 0 | 0 | 0 | 109.8 | Q3448 L3449 E3523 | Q3448-L3521 WeakPolarHBondContact CA-O 3.49Å; Q3448-L3521 HydrophobicContact CB-CB 3.98Å; Q3448-L3521 HydrophobicContact CG-CB 3.97Å; L3449-L3521 PolarHBondContact N-O 2.89Å; L3521-E3523 HydrophobicContact CD1-CG 3.89Å; L3521-E3523 HydrophobicContact CG-CG 4.23Å |
| 3522 | W | 84.7 | Confident | 75.8 | Confident | 42 Ų | 42 | 70 Ų | 70 | 16% | 0.159 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 94.4 | 175.4 | -174.5 | -90.2 | 0 | 0 | 0 | 110.6 | L3449 V3519 L3524 P3549 R3550 I3553 P3554 | L3449-W3522 HydrophobicContact CB-CE3 3.85Å; L3449-W3522 HydrophobicContact CB-CZ3 4.02Å; L3449-W3522 HydrophobicContact CD2-CD2 4.18Å; L3449-W3522 HydrophobicContact CD2-CE3 3.78Å; L3449-W3522 HydrophobicContact CD2-CH2 3.5Å; L3449-W3522 HydrophobicContact CD2-CZ2 3.92Å; L3449-W3522 HydrophobicContact CD2-CZ3 3.42Å; L3449-W3522 VanDerWaalsContact CD2-CZ3 3.42Å; L3449-W3522 HydrophobicContact CG-CE3 4.46Å; L3449-W3522 HydrophobicContact CG-CZ3 4.34Å; V3519-W3522 HydrophobicContact CG1-CB 3.91Å; V3519-W3522 HydrophobicContact CG1-CE3 4.15Å; W3522-L3524 HydrophobicContact CZ2-CB 4.3Å; W3522-L3524 HydrophobicContact CZ2-CD2 3.95Å; W3522-P3549 WeakPolarHBondContact CH2-O 3.44Å; W3522-R3550 HydrophobicContact CD2-CB 4.37Å; W3522-R3550 HydrophobicContact CD2-CG 3.91Å; W3522-R3550 HydrophobicContact CE3-CB 4.49Å; W3522-R3550 HydrophobicContact CG-CG 4.04Å; W3522-R3550 HydrophobicContact CZ2-CG 4.3Å; W3522-I3553 HydrophobicContact CH2-CB 4.17Å; W3522-I3553 HydrophobicContact CH2-CD1 3.97Å; W3522-I3553 HydrophobicContact CH2-CG1 4.49Å; W3522-I3553 HydrophobicContact CZ2-CD1 4.25Å; W3522-P3554 HydrophobicContact CZ3-CG 3.89Å |
| 3523 | E | 83.7 | Confident | 77 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 80 | 176.3 | -64.2 | -172.9 | 153.8 | 0 | 0 | 109.7 | L3449 K3450 S3451 L3521 | L3449-E3523 PolarHBondContact O-N 2.89Å; K3450-E3523 HydrophobicContact CG-CB 4.46Å; S3451-E3523 PolarHBondContact N-O 3.09Å; S3451-E3523 PolarHBondContact OG-O 3.49Å; S3451-E3523 VanDerWaalsContact OG-O 3.05Å; L3521-E3523 HydrophobicContact CD1-CG 3.89Å; L3521-E3523 HydrophobicContact CG-CG 4.23Å |
| 3524 | L | 78 | Confident | 77.6 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 95.6 | 173 | -170 | 66.2 | 0 | 0 | 0 | 109.7 | L3449 S3451 W3522 P3526 V3537 | L3449-L3524 HydrophobicContact CD2-CD1 4.39Å; S3451-L3524 VanDerWaalsContact OG-CA 3.31Å; S3451-L3524 WeakPolarHBondContact OG-CA 3.36Å; W3522-L3524 HydrophobicContact CZ2-CB 4.3Å; W3522-L3524 HydrophobicContact CZ2-CD2 3.95Å; L3524-P3526 HydrophobicContact CD1-CG 4.41Å; L3524-P3526 HydrophobicContact CG-CG 4.25Å; L3524-P3526 WeakPolarHBondContact O-CD 3.07Å; L3524-V3537 HydrophobicContact CD2-CG1 4.21Å |
| 3525 | K | 73 | Confident | 77.9 | Confident | 141 Ų | 141 | 66.8 Ų | 66.8 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | trans | -115.5 | 51 | -176.8 | -63.5 | -177.1 | -179.2 | 172.7 | 0 | 115 | S3451 | S3451-K3525 PolarHBondContact OG-N 2.82Å; S3451-K3525 VanDerWaalsContact OG-N 3.12Å | ||
| 3526 | P | 71.2 | Confident | 77.8 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | trans | -76.8 | 122.3 | 161.6 | 26.1 | -23.1 | 0 | 0 | 0 | 109.4 | F3453 V3457 L3524 V3528 V3537 | F3453-P3526 HydrophobicContact CD1-CB 4.24Å; F3453-P3526 HydrophobicContact CD2-CB 3.68Å; F3453-P3526 HydrophobicContact CD2-CG 4.32Å; F3453-P3526 HydrophobicContact CE1-CB 4.14Å; F3453-P3526 HydrophobicContact CE2-CB 3.55Å; F3453-P3526 HydrophobicContact CE2-CG 3.81Å; F3453-P3526 HydrophobicContact CG-CB 4.03Å; F3453-P3526 HydrophobicContact CZ-CB 3.8Å; F3453-P3526 HydrophobicContact CZ-CG 4.15Å; V3457-P3526 HydrophobicContact CG2-CB 4.12Å; L3524-P3526 HydrophobicContact CD1-CG 4.41Å; L3524-P3526 HydrophobicContact CG-CG 4.25Å; L3524-P3526 WeakPolarHBondContact O-CD 3.07Å; P3526-V3528 HydrophobicContact CB-CG2 4.33Å; P3526-V3528 PolarHBondContact O-N 2.8Å; P3526-V3537 HydrophobicContact CG-CG1 4.03Å; P3526-V3537 HydrophobicContact CG-CG2 3.71Å; P3526-V3537 WeakPolarHBondContact O-CG2 2.97Å | ||
| 3527 | H | 73 | Confident | 77.7 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | trans | -72.8 | 119.8 | 162.3 | -68.8 | -68.8 | 0 | 0 | 0 | 107.6 | C3456 V3457 V3534 | C3456-H3527 CarbonylContact C-O 3.47Å; C3456-H3527 WeakPolarHBondContact CA-O 3.48Å; C3456-H3527 HydrophobicContact CB-CB 4.27Å; C3456-H3527 WeakPolarHBondContact CB-O 3.28Å; C3456-H3527 WeakPolarHBondContact SG-CB 3.47Å; V3457-H3527 PolarHBondContact N-O 3.18Å; H3527-V3534 HydrophobicContact CB-CG1 4.19Å | ||
| 3528 | V | 76.1 | Confident | 77.5 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.3 | -178.6 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | V3457 V3459 P3526 V3534 I3535 V3537 I3540 | V3457-V3528 HydrophobicContact CB-CG2 4.42Å; V3457-V3528 WeakPolarHBondContact O-CA 3.13Å; V3459-V3528 HydrophobicContact CB-CG1 4.38Å; V3459-V3528 HydrophobicContact CG2-CG1 3.31Å; P3526-V3528 HydrophobicContact CB-CG2 4.33Å; P3526-V3528 PolarHBondContact O-N 2.8Å; V3528-V3534 CarbonylContact O-C 3.58Å; V3528-V3534 WeakPolarHBondContact O-CA 3.47Å; V3528-I3535 PolarHBondContact O-N 2.97Å; V3528-V3537 HydrophobicContact CG2-CG2 3.97Å; V3528-I3540 HydrophobicContact CB-CD1 3.74Å; V3528-I3540 HydrophobicContact CG1-CD1 3.17Å; V3528-I3540 HydrophobicContact CG2-CD1 4.42Å |
| 3529 | Q | 78.1 | Confident | 77 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.3 | 178.6 | -163.8 | 177.6 | 11.3 | 0 | 0 | 109.2 | C3456 V3457 L3458 V3459 G3532 T3533 | C3456-Q3529 HydrophobicContact CB-CB 4.24Å; V3457-Q3529 PolarHBondContact O-N 3.25Å; L3458-Q3529 HydrophobicContact CD2-CB 4Å; L3458-Q3529 VanDerWaalsContact CD2-OE1 3.31Å; V3459-Q3529 PolarHBondContact N-O 3.14Å; V3459-Q3529 VanDerWaalsContact N-O 3.13Å; Q3529-G3532 PolarHBondContact NE2-O 3.23Å; Q3529-T3533 WeakPolarHBondContact CA-O 3.22Å |
| 3530 | W | 74.2 | Confident | 76.6 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.8 | 174.3 | -174.3 | 30.2 | 0 | 0 | 0 | 107.3 | T3460 G3532 T3533 I3535 L3543 | T3460-W3530 VanDerWaalsContact O-CD1 3.29Å; T3460-W3530 PolarHBondContact O-NE1 2.76Å; W3530-G3532 PolarHBondContact O-N 3.04Å; W3530-T3533 PolarHBondContact N-O 3.32Å; W3530-T3533 PolarHBondContact O-N 3Å; W3530-T3533 PolarHBondContact O-OG1 2.78Å; W3530-I3535 HydrophobicContact CB-CD1 3.7Å; W3530-I3535 HydrophobicContact CB-CG1 4.39Å; W3530-I3535 HydrophobicContact CD2-CD1 3.92Å; W3530-I3535 HydrophobicContact CE3-CD1 3.32Å; W3530-I3535 HydrophobicContact CG-CD1 4.14Å; W3530-I3535 HydrophobicContact CZ3-CD1 4.2Å; W3530-L3543 HydrophobicContact CH2-CD1 4.44Å; W3530-L3543 HydrophobicContact CZ3-CD1 4.16Å |
| 3531 | M | 67.6 | Low | 76 | Confident | 127 Ų | 127 | 66.6 Ų | 66.6 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 30.1 | -174.6 | -60.4 | -107.9 | -82.9 | 0 | 0 | 115.4 | H3461 T3533 | H3461-M3531 HydrophobicContact CB-SD 4.47Å; H3461-M3531 WeakPolarHBondContact CE1-CA 3.25Å; H3461-M3531 VanDerWaalsContact CE1-SD 3.51Å; H3461-M3531 WeakPolarHBondContact ND1-CG 3.33Å; H3461-M3531 PolarHBondContact ND1-SD 3.48Å; H3461-M3531 PolarHBondContact NE2-N 2.9Å; M3531-T3533 PolarHBondContact O-N 3.38Å; M3531-T3533 VanDerWaalsContact O-N 3.15Å |
| 3532 | G | 71.1 | Confident | 75.5 | Confident | 50 Ų | 50 | 69 Ų | 69 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -11.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q3529 W3530 | Q3529-G3532 PolarHBondContact NE2-O 3.23Å; W3530-G3532 PolarHBondContact O-N 3.04Å |
| 3533 | T | 75.6 | Confident | 74.9 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 138.2 | 179.2 | 62 | 0 | 0 | 0 | 0 | 111.5 | Q3529 W3530 M3531 I3535 | Q3529-T3533 WeakPolarHBondContact CA-O 3.22Å; W3530-T3533 PolarHBondContact N-O 3.32Å; W3530-T3533 PolarHBondContact O-N 3Å; W3530-T3533 PolarHBondContact O-OG1 2.78Å; M3531-T3533 PolarHBondContact O-N 3.38Å; M3531-T3533 VanDerWaalsContact O-N 3.15Å; T3533-I3535 PolarHBondContact O-N 3.03Å |
| 3534 | V | 77.2 | Confident | 74.2 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.6 | 174.4 | -178 | 0 | 0 | 0 | 0 | 108.6 | H3527 V3528 | H3527-V3534 HydrophobicContact CB-CG1 4.19Å; V3528-V3534 CarbonylContact O-C 3.58Å; V3528-V3534 WeakPolarHBondContact O-CA 3.47Å |
| 3535 | I | 73.8 | Confident | 73.8 | Confident | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 147.8 | -178.2 | -66.3 | -177.8 | 0 | 0 | 0 | 109.7 | V3528 W3530 T3533 V3537 R3539 I3540 | V3528-I3535 PolarHBondContact O-N 2.97Å; W3530-I3535 HydrophobicContact CB-CD1 3.7Å; W3530-I3535 HydrophobicContact CB-CG1 4.39Å; W3530-I3535 HydrophobicContact CD2-CD1 3.92Å; W3530-I3535 HydrophobicContact CE3-CD1 3.32Å; W3530-I3535 HydrophobicContact CG-CD1 4.14Å; W3530-I3535 HydrophobicContact CZ3-CD1 4.2Å; T3533-I3535 PolarHBondContact O-N 3.03Å; I3535-V3537 PolarHBondContact O-N 2.96Å; I3535-R3539 HydrophobicContact CG2-CB 4.2Å; I3535-I3540 HydrophobicContact CB-CD1 4.43Å; I3535-I3540 HydrophobicContact CG2-CD1 4.31Å; I3535-I3540 HydrophobicContact CG2-CG1 4.33Å |
| 3536 | N | 75.8 | Confident | 73.8 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | trans | -62.7 | 126.3 | 175.7 | -165.1 | -10.8 | 0 | 0 | 0 | 110.4 | D3538 R3539 | N3536-D3538 PolarHBondContact O-N 3.35Å; N3536-D3538 VanDerWaalsContact O-N 3.14Å; N3536-R3539 WeakPolarHBondContact O-CB 3.49Å; N3536-R3539 PolarHBondContact O-N 3.37Å | ||
| 3537 | V | 77.6 | Confident | 73.8 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 12% | 0.121 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -50.1 | -41.3 | -178.1 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | L3524 P3526 V3528 I3535 R3539 I3540 M3541 | L3524-V3537 HydrophobicContact CD2-CG1 4.21Å; P3526-V3537 HydrophobicContact CG-CG1 4.03Å; P3526-V3537 HydrophobicContact CG-CG2 3.71Å; P3526-V3537 WeakPolarHBondContact O-CG2 2.97Å; V3528-V3537 HydrophobicContact CG2-CG2 3.97Å; I3535-V3537 PolarHBondContact O-N 2.96Å; V3537-R3539 PolarHBondContact O-N 3.37Å; V3537-I3540 PolarHBondContact O-N 2.95Å; V3537-M3541 HydrophobicContact CG1-CG 3.95Å; V3537-M3541 VanDerWaalsContact O-CG 3.29Å; V3537-M3541 WeakPolarHBondContact O-CG 3.31Å; V3537-M3541 PolarHBondContact O-N 3.07Å |
| 3538 | D | 75.1 | Confident | 74.1 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.5 | -34.4 | -178.5 | -69.1 | -29.2 | 0 | 0 | 0 | 112.3 | N3536 M3541 M3542 | N3536-D3538 PolarHBondContact O-N 3.35Å; N3536-D3538 VanDerWaalsContact O-N 3.14Å; D3538-M3541 PolarHBondContact O-N 2.77Å; D3538-M3542 WeakPolarHBondContact O-CB 3.44Å; D3538-M3542 WeakPolarHBondContact O-CG 3.39Å; D3538-M3542 PolarHBondContact O-N 2.76Å |
| 3539 | R | 74 | Confident | 74 | Confident | 164 Ų | 164 | 73 Ų | 73 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.1 | -38.2 | 178.6 | -166.9 | 167.9 | -176.7 | 168.2 | -0.6 | 112 | I3535 N3536 V3537 L3543 | I3535-R3539 HydrophobicContact CG2-CB 4.2Å; N3536-R3539 WeakPolarHBondContact O-CB 3.49Å; N3536-R3539 PolarHBondContact O-N 3.37Å; V3537-R3539 PolarHBondContact O-N 3.37Å; R3539-L3543 WeakPolarHBondContact O-CG 3.23Å; R3539-L3543 PolarHBondContact O-N 2.92Å; R3539-L3543 VanDerWaalsContact O-N 3.11Å |
| 3540 | I | 75.5 | Confident | 74.2 | Confident | 11 Ų | 11 | 77 Ų | 77 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74.3 | -37.5 | 177.6 | -64.9 | 171.4 | 0 | 0 | 0 | 110.3 | V3459 V3528 I3535 V3537 M3542 L3543 L3544 | V3459-I3540 HydrophobicContact CG2-CD1 4.39Å; V3528-I3540 HydrophobicContact CB-CD1 3.74Å; V3528-I3540 HydrophobicContact CG1-CD1 3.17Å; V3528-I3540 HydrophobicContact CG2-CD1 4.42Å; I3535-I3540 HydrophobicContact CB-CD1 4.43Å; I3535-I3540 HydrophobicContact CG2-CD1 4.31Å; I3535-I3540 HydrophobicContact CG2-CG1 4.33Å; V3537-I3540 PolarHBondContact O-N 2.95Å; I3540-M3542 VanDerWaalsContact C-N 3.33Å; I3540-M3542 PolarHBondContact O-N 3.37Å; I3540-L3543 WeakPolarHBondContact O-CB 3.42Å; I3540-L3543 PolarHBondContact O-N 3.37Å; I3540-L3543 VanDerWaalsContact O-N 3.17Å; I3540-L3544 HydrophobicContact CG2-CD1 4.3Å; I3540-L3544 WeakPolarHBondContact O-CG 3.3Å; I3540-L3544 PolarHBondContact O-N 2.97Å |
| 3541 | M | 75 | Confident | 74.4 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 14% | 0.138 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 173.5 | -67.7 | -65.7 | -73.3 | 0 | 0 | 111.7 | V3537 D3538 L3544 G3545 F3546 P3549 I3553 | V3537-M3541 HydrophobicContact CG1-CG 3.95Å; V3537-M3541 VanDerWaalsContact O-CG 3.29Å; V3537-M3541 WeakPolarHBondContact O-CG 3.31Å; V3537-M3541 PolarHBondContact O-N 3.07Å; D3538-M3541 PolarHBondContact O-N 2.77Å; M3541-L3544 PolarHBondContact O-N 2.84Å; M3541-L3544 HydrophobicContact SD-CD1 4.38Å; M3541-G3545 PolarHBondContact O-N 2.93Å; M3541-G3545 VanDerWaalsContact O-N 3.17Å; M3541-F3546 HydrophobicContact CB-CB 4.3Å; M3541-F3546 HydrophobicContact CB-CD2 4.49Å; M3541-F3546 HydrophobicContact CE-CB 4.23Å; M3541-F3546 HydrophobicContact CE-CD2 3.56Å; M3541-F3546 HydrophobicContact CE-CE2 4.07Å; M3541-F3546 HydrophobicContact CE-CG 3.95Å; M3541-F3546 WeakPolarHBondContact O-CB 3.45Å; M3541-F3546 PolarHBondContact O-N 2.89Å; M3541-F3546 HydrophobicContact SD-CD2 4.09Å; M3541-P3549 HydrophobicContact CE-CB 4.02Å; M3541-I3553 HydrophobicContact CE-CD1 3.56Å; M3541-I3553 HydrophobicContact CE-CG1 4.19Å |
| 3542 | M | 75.1 | Confident | 75 | Confident | 113 Ų | 113 | 73.3 Ų | 73.3 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 171.8 | -76.7 | -170.5 | -67.7 | 0 | 0 | 112.3 | D3538 I3540 L3544 G3545 | D3538-M3542 WeakPolarHBondContact O-CB 3.44Å; D3538-M3542 WeakPolarHBondContact O-CG 3.39Å; D3538-M3542 PolarHBondContact O-N 2.76Å; I3540-M3542 VanDerWaalsContact C-N 3.33Å; I3540-M3542 PolarHBondContact O-N 3.37Å; M3542-L3544 VanDerWaalsContact C-N 3.3Å; M3542-L3544 PolarHBondContact O-N 3.26Å; M3542-G3545 WeakPolarHBondContact O-CA 3.4Å; M3542-G3545 PolarHBondContact O-N 3.28Å |
| 3543 | L | 71.7 | Confident | 75.6 | Confident | 70 Ų | 70 | 73 Ų | 73 | 37% | 0.366 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 174.8 | -73.8 | 167.5 | 0 | 0 | 0 | 112.1 | W3530 R3539 I3540 G3545 | W3530-L3543 HydrophobicContact CH2-CD1 4.44Å; W3530-L3543 HydrophobicContact CZ3-CD1 4.16Å; R3539-L3543 WeakPolarHBondContact O-CG 3.23Å; R3539-L3543 PolarHBondContact O-N 2.92Å; R3539-L3543 VanDerWaalsContact O-N 3.11Å; I3540-L3543 WeakPolarHBondContact O-CB 3.42Å; I3540-L3543 PolarHBondContact O-N 3.37Å; I3540-L3543 VanDerWaalsContact O-N 3.17Å; L3543-G3545 PolarHBondContact O-N 3.38Å |
| 3544 | L | 70.3 | Confident | 76 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -10.6 | 173.5 | -70.8 | 168.1 | 0 | 0 | 0 | 113.5 | F3415 I3540 M3541 M3542 F3546 | F3415-L3544 HydrophobicContact CZ-CD1 4.34Å; F3415-L3544 HydrophobicContact CZ-CD2 4.22Å; I3540-L3544 HydrophobicContact CG2-CD1 4.3Å; I3540-L3544 WeakPolarHBondContact O-CG 3.3Å; I3540-L3544 PolarHBondContact O-N 2.97Å; M3541-L3544 PolarHBondContact O-N 2.84Å; M3541-L3544 HydrophobicContact SD-CD1 4.38Å; M3542-L3544 VanDerWaalsContact C-N 3.3Å; M3542-L3544 PolarHBondContact O-N 3.26Å; L3544-F3546 HydrophobicContact CB-CD2 3.87Å; L3544-F3546 HydrophobicContact CB-CE2 3.91Å |
| 3545 | G | 69.7 | Low | 76.3 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | 3.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | M3541 M3542 L3543 K3547 | M3541-G3545 PolarHBondContact O-N 2.93Å; M3541-G3545 VanDerWaalsContact O-N 3.17Å; M3542-G3545 WeakPolarHBondContact O-CA 3.4Å; M3542-G3545 PolarHBondContact O-N 3.28Å; L3543-G3545 PolarHBondContact O-N 3.38Å; G3545-K3547 PolarHBondContact O-N 3.38Å |
| 3546 | F | 71.4 | Confident | 76.7 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | trans | -88 | 99.5 | 178.7 | -56.5 | -74.1 | 0 | 0 | 0 | 111 | M3541 L3544 T3552 | M3541-F3546 HydrophobicContact CB-CB 4.3Å; M3541-F3546 HydrophobicContact CB-CD2 4.49Å; M3541-F3546 HydrophobicContact CE-CB 4.23Å; M3541-F3546 HydrophobicContact CE-CD2 3.56Å; M3541-F3546 HydrophobicContact CE-CE2 4.07Å; M3541-F3546 HydrophobicContact CE-CG 3.95Å; M3541-F3546 WeakPolarHBondContact O-CB 3.45Å; M3541-F3546 PolarHBondContact O-N 2.89Å; M3541-F3546 HydrophobicContact SD-CD2 4.09Å; L3544-F3546 HydrophobicContact CB-CD2 3.87Å; L3544-F3546 HydrophobicContact CB-CE2 3.91Å; F3546-T3552 HydrophobicContact CD1-CG2 3.9Å; F3546-T3552 HydrophobicContact CE1-CG2 4.38Å | ||
| 3547 | K | 72.5 | Confident | 77.2 | Confident | 163 Ų | 163 | 68 Ų | 68 | 71% | 0.709 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -69.3 | -36.3 | 177.1 | -66 | 173.9 | -176.3 | 158 | 0 | 113.2 | E3507 G3545 | E3507-K3547 IonicContact OE1-NZ 3.05Å; E3507-K3547 PolarHBondContact OE1-NZ 2.98Å; G3545-K3547 PolarHBondContact O-N 3.38Å |
| 3548 | K | 78.2 | Confident | 77.6 | Confident | 123 Ų | 123 | 67 Ų | 67 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | trans | -132.7 | 80.6 | -179.1 | -69.6 | -174 | 175.6 | -173 | 0 | 110.8 | R3550 E3551 T3552 | K3548-R3550 VanDerWaalsContact C-N 3.26Å; K3548-R3550 PolarHBondContact O-N 3.41Å; K3548-E3551 IonicContact NZ-OE1 3.75Å; K3548-E3551 PolarHBondContact NZ-OE1 2.9Å; K3548-E3551 PolarHBondContact O-N 2.84Å; K3548-T3552 VanDerWaalsContact O-CB 3.26Å; K3548-T3552 WeakPolarHBondContact O-CB 3.49Å; K3548-T3552 PolarHBondContact O-N 3.42Å; K3548-T3552 PolarHBondContact O-OG1 2.92Å | ||
| 3549 | P | 75.7 | Confident | 77.9 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -34.6 | -173.7 | 22.5 | -32.5 | 0 | 0 | 0 | 113 | W3522 M3541 E3551 T3552 I3553 | W3522-P3549 WeakPolarHBondContact CH2-O 3.44Å; M3541-P3549 HydrophobicContact CE-CB 4.02Å; P3549-E3551 VanDerWaalsContact C-N 3.32Å; P3549-E3551 PolarHBondContact O-N 2.85Å; P3549-T3552 PolarHBondContact O-N 2.9Å; P3549-I3553 HydrophobicContact CB-CD1 4.2Å; P3549-I3553 WeakPolarHBondContact O-CG1 3.4Å; P3549-I3553 PolarHBondContact O-N 2.82Å |
| 3550 | R | 80.7 | Confident | 78.1 | Confident | 152 Ų | 152 | 64.4 Ų | 64.4 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.2 | -37.4 | -180 | -64.4 | -172.3 | 179.1 | -172.8 | -0.4 | 114 | W3522 K3548 P3554 | W3522-R3550 HydrophobicContact CD2-CB 4.37Å; W3522-R3550 HydrophobicContact CD2-CG 3.91Å; W3522-R3550 HydrophobicContact CE3-CB 4.49Å; W3522-R3550 HydrophobicContact CG-CG 4.04Å; W3522-R3550 HydrophobicContact CZ2-CG 4.3Å; K3548-R3550 VanDerWaalsContact C-N 3.26Å; K3548-R3550 PolarHBondContact O-N 3.41Å; R3550-P3554 VanDerWaalsContact O-CD 3.27Å; R3550-P3554 WeakPolarHBondContact O-CD 3.42Å; R3550-P3554 WeakPolarHBondContact O-CG 3.32Å |
| 3551 | E | 79.3 | Confident | 78.6 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 34% | 0.341 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -92.6 | -36 | 177.2 | -65 | 177 | -143.1 | 0 | 0 | 111.5 | K3548 P3549 K3555 | K3548-E3551 IonicContact NZ-OE1 3.75Å; K3548-E3551 PolarHBondContact NZ-OE1 2.9Å; K3548-E3551 PolarHBondContact O-N 2.84Å; P3549-E3551 VanDerWaalsContact C-N 3.32Å; P3549-E3551 PolarHBondContact O-N 2.85Å; E3551-K3555 WeakPolarHBondContact O-CB 3.42Å; E3551-K3555 VanDerWaalsContact O-CD 3.28Å; E3551-K3555 WeakPolarHBondContact O-CD 3.16Å; E3551-K3555 WeakPolarHBondContact O-CG 3.49Å; E3551-K3555 PolarHBondContact O-N 3.06Å; E3551-K3555 IonicContact OE2-NZ 3.48Å; E3551-K3555 PolarHBondContact OE2-NZ 3.08Å |
| 3552 | T | 80.5 | Confident | 79.3 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.4 | -42.8 | -169.2 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | F3546 K3548 P3549 K3555 W3556 | F3546-T3552 HydrophobicContact CD1-CG2 3.9Å; F3546-T3552 HydrophobicContact CE1-CG2 4.38Å; K3548-T3552 VanDerWaalsContact O-CB 3.26Å; K3548-T3552 WeakPolarHBondContact O-CB 3.49Å; K3548-T3552 PolarHBondContact O-N 3.42Å; K3548-T3552 PolarHBondContact O-OG1 2.92Å; P3549-T3552 PolarHBondContact O-N 2.9Å; T3552-K3555 PolarHBondContact O-N 3.37Å; T3552-W3556 VanDerWaalsContact CG2-CD1 3.42Å; T3552-W3556 WeakPolarHBondContact O-CB 3.43Å; T3552-W3556 PolarHBondContact O-N 2.91Å |
| 3553 | I | 83.3 | Confident | 79.8 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 23% | 0.226 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -50.5 | -177.3 | -59.3 | 174.2 | 0 | 0 | 0 | 111.3 | W3522 M3541 P3549 K3555 W3556 V3557 | W3522-I3553 HydrophobicContact CH2-CB 4.17Å; W3522-I3553 HydrophobicContact CH2-CD1 3.97Å; W3522-I3553 HydrophobicContact CH2-CG1 4.49Å; W3522-I3553 HydrophobicContact CZ2-CD1 4.25Å; M3541-I3553 HydrophobicContact CE-CD1 3.56Å; M3541-I3553 HydrophobicContact CE-CG1 4.19Å; P3549-I3553 HydrophobicContact CB-CD1 4.2Å; P3549-I3553 WeakPolarHBondContact O-CG1 3.4Å; P3549-I3553 PolarHBondContact O-N 2.82Å; I3553-K3555 VanDerWaalsContact C-N 3.3Å; I3553-K3555 PolarHBondContact O-N 2.79Å; I3553-W3556 PolarHBondContact O-N 2.95Å; I3553-V3557 HydrophobicContact CG2-CG2 4.12Å; I3553-V3557 WeakPolarHBondContact O-CG2 3.38Å; I3553-V3557 PolarHBondContact O-N 2.8Å |
| 3554 | P | 83.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.9 | -25.2 | 36.5 | 0 | 0 | 0 | 112.3 | M3426 C3447 Y3517 W3522 R3550 V3557 Q3558 | M3426-P3554 HydrophobicContact CE-CB 4.16Å; M3426-P3554 HydrophobicContact SD-CB 4.38Å; C3447-P3554 VanDerWaalsContact SG-CG 3.52Å; Y3517-P3554 HydrophobicContact CD1-CB 4.36Å; W3522-P3554 HydrophobicContact CZ3-CG 3.89Å; R3550-P3554 VanDerWaalsContact O-CD 3.27Å; R3550-P3554 WeakPolarHBondContact O-CD 3.42Å; R3550-P3554 WeakPolarHBondContact O-CG 3.32Å; P3554-V3557 PolarHBondContact O-N 3.06Å; P3554-Q3558 WeakPolarHBondContact O-CB 3.45Å; P3554-Q3558 PolarHBondContact O-N 2.92Å |
| 3555 | K | 84.2 | Confident | 81.4 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 23% | 0.226 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 175 | -77.3 | 172.2 | -177.4 | 173.8 | 0 | 112.2 | Y3517 E3551 T3552 I3553 Q3558 R3559 | Y3517-K3555 HydrophobicContact CD1-CG 4.33Å; Y3517-K3555 HydrophobicContact CD2-CD 4.16Å; Y3517-K3555 HydrophobicContact CD2-CG 3.66Å; Y3517-K3555 HydrophobicContact CE1-CG 4.11Å; Y3517-K3555 HydrophobicContact CE2-CD 4.21Å; Y3517-K3555 HydrophobicContact CE2-CG 3.42Å; Y3517-K3555 VanDerWaalsContact CE2-CG 3.42Å; Y3517-K3555 HydrophobicContact CG-CG 4.11Å; E3551-K3555 WeakPolarHBondContact O-CB 3.42Å; E3551-K3555 VanDerWaalsContact O-CD 3.28Å; E3551-K3555 WeakPolarHBondContact O-CD 3.16Å; E3551-K3555 WeakPolarHBondContact O-CG 3.49Å; E3551-K3555 PolarHBondContact O-N 3.06Å; E3551-K3555 IonicContact OE2-NZ 3.48Å; E3551-K3555 PolarHBondContact OE2-NZ 3.08Å; T3552-K3555 PolarHBondContact O-N 3.37Å; I3553-K3555 VanDerWaalsContact C-N 3.3Å; I3553-K3555 PolarHBondContact O-N 2.79Å; K3555-Q3558 PolarHBondContact O-N 2.96Å; K3555-R3559 WeakPolarHBondContact O-CG 3.32Å; K3555-R3559 PolarHBondContact O-N 3.22Å |
| 3556 | W | 81.4 | Confident | 82.3 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 45% | 0.447 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 179.6 | -88.8 | 78.1 | 0 | 0 | 0 | 112.7 | V3477 T3552 I3553 Q3558 G3560 | V3477-W3556 HydrophobicContact CG2-CH2 4.35Å; T3552-W3556 VanDerWaalsContact CG2-CD1 3.42Å; T3552-W3556 WeakPolarHBondContact O-CB 3.43Å; T3552-W3556 PolarHBondContact O-N 2.91Å; I3553-W3556 PolarHBondContact O-N 2.95Å; W3556-Q3558 VanDerWaalsContact C-N 3.33Å; W3556-G3560 WeakPolarHBondContact O-CA 3.34Å; W3556-G3560 PolarHBondContact O-N 3.32Å |
| 3557 | V | 86.6 | Confident | 83.1 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.236 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L3344 L3424 I3553 P3554 L3561 L3562 | L3344-V3557 HydrophobicContact CD2-CG1 3.85Å; L3424-V3557 HydrophobicContact CD2-CB 4.08Å; L3424-V3557 HydrophobicContact CD2-CG1 3.58Å; I3553-V3557 HydrophobicContact CG2-CG2 4.12Å; I3553-V3557 WeakPolarHBondContact O-CG2 3.38Å; I3553-V3557 PolarHBondContact O-N 2.8Å; P3554-V3557 PolarHBondContact O-N 3.06Å; V3557-L3561 WeakPolarHBondContact O-CB 3.27Å; V3557-L3561 PolarHBondContact O-N 2.78Å; V3557-L3562 HydrophobicContact CG1-CD1 4.11Å; V3557-L3562 HydrophobicContact CG1-CG 4.07Å; V3557-L3562 PolarHBondContact O-N 3.06Å |
| 3558 | Q | 85.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -59.4 | -56.4 | 175.8 | -170.1 | 69.5 | 42.2 | 0 | 0 | 111.2 | H3428 Y3517 P3554 K3555 W3556 L3562 D3563 | H3428-Q3558 VanDerWaalsContact CE1-CD 3.49Å; H3428-Q3558 PolarHBondContact CE1-NE2 3.26Å; H3428-Q3558 VanDerWaalsContact CE1-NE2 3.32Å; H3428-Q3558 PolarHBondContact NE2-NE2 2.9Å; H3428-Q3558 PolarHBondContact NE2-OE1 2.91Å; Y3517-Q3558 HydrophobicContact CE1-CB 4.43Å; P3554-Q3558 WeakPolarHBondContact O-CB 3.45Å; P3554-Q3558 PolarHBondContact O-N 2.92Å; K3555-Q3558 PolarHBondContact O-N 2.96Å; W3556-Q3558 VanDerWaalsContact C-N 3.33Å; Q3558-L3562 PolarHBondContact O-N 2.82Å; Q3558-D3563 PolarHBondContact NE2-OD1 2.86Å; Q3558-D3563 WeakPolarHBondContact O-CB 3.47Å; Q3558-D3563 VanDerWaalsContact O-CG 3.29Å; Q3558-D3563 PolarHBondContact O-N 2.82Å |
| 3559 | R | 81.8 | Confident | 84.4 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -70.9 | -37 | -175.5 | -65 | 177.8 | -160.7 | 160.5 | 10.7 | 113.2 | D3513 K3555 | D3513-R3559 VanDerWaalsContact CB-CZ 3.43Å; D3513-R3559 IonicContact OD2-CZ 2.66Å; D3513-R3559 VanDerWaalsContact OD2-CZ 3.31Å; D3513-R3559 IonicContact OD2-NE 2.88Å; D3513-R3559 PolarHBondContact OD2-NE 3.25Å; D3513-R3559 IonicContact OD2-NH2 2.72Å; D3513-R3559 PolarHBondContact OD2-NH2 3.16Å; K3555-R3559 WeakPolarHBondContact O-CG 3.32Å; K3555-R3559 PolarHBondContact O-N 3.22Å |
| 3560 | G | 78 | Confident | 85 | Confident | 62 Ų | 62 | 54 Ų | 54 | 64% | 0.639 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -84.8 | -24.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | W3556 | W3556-G3560 WeakPolarHBondContact O-CA 3.34Å; W3556-G3560 PolarHBondContact O-N 3.32Å |
| 3561 | L | 86.1 | Confident | 85.4 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -134.2 | -56.8 | -174.1 | -177.1 | 64.8 | 0 | 0 | 0 | 112.9 | L3344 V3557 D3563 A3564 L3565 | L3344-L3561 HydrophobicContact CD1-CD2 4.34Å; L3344-L3561 HydrophobicContact CD2-CD2 4.06Å; V3557-L3561 WeakPolarHBondContact O-CB 3.27Å; V3557-L3561 PolarHBondContact O-N 2.78Å; L3561-D3563 PolarHBondContact O-N 3.11Å; L3561-A3564 PolarHBondContact O-N 3.25Å; L3561-L3565 HydrophobicContact CD1-CD1 3.84Å; L3561-L3565 HydrophobicContact CD1-CG 4.13Å; L3561-L3565 HydrophobicContact CG-CD1 3.86Å; L3561-L3565 HydrophobicContact CG-CG 4.43Å; L3561-L3565 WeakPolarHBondContact O-CG 3.34Å; L3561-L3565 PolarHBondContact O-N 3.11Å |
| 3562 | L | 88.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -67.2 | -41.6 | -168.9 | -56.5 | 176 | 0 | 0 | 0 | 112.4 | F3323 L3344 L3424 M3426 V3557 Q3558 A3564 L3565 D3566 | F3323-L3562 HydrophobicContact CD2-CD2 3.73Å; F3323-L3562 HydrophobicContact CE2-CD2 3.56Å; L3344-L3562 HydrophobicContact CB-CD2 4.01Å; L3344-L3562 HydrophobicContact CD2-CD2 4.17Å; L3344-L3562 HydrophobicContact CG-CD2 4.46Å; L3424-L3562 HydrophobicContact CD2-CD1 4.19Å; M3426-L3562 HydrophobicContact CG-CD1 3.83Å; V3557-L3562 HydrophobicContact CG1-CD1 4.11Å; V3557-L3562 HydrophobicContact CG1-CG 4.07Å; V3557-L3562 PolarHBondContact O-N 3.06Å; Q3558-L3562 PolarHBondContact O-N 2.82Å; L3562-A3564 VanDerWaalsContact C-N 3.34Å; L3562-A3564 PolarHBondContact O-N 3.36Å; L3562-L3565 PolarHBondContact O-N 3.28Å; L3562-D3566 VanDerWaalsContact O-CB 3.32Å; L3562-D3566 WeakPolarHBondContact O-CB 3.26Å; L3562-D3566 PolarHBondContact O-N 2.81Å |
| 3563 | D | 87 | Confident | 86.1 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.219 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 179.4 | -71.8 | -19.6 | 0 | 0 | 0 | 111.7 | R3515 Q3558 L3561 D3566 E3567 | R3515-D3563 IonicContact CZ-OD1 2.63Å; R3515-D3563 IonicContact CZ-OD2 3.71Å; R3515-D3563 IonicContact NH1-OD1 3.77Å; R3515-D3563 PolarHBondContact NH1-OD1 3.01Å; R3515-D3563 IonicContact NH1-OD2 3.68Å; R3515-D3563 IonicContact NH2-OD1 3.12Å; R3515-D3563 PolarHBondContact NH2-OD1 3.44Å; R3515-D3563 VanDerWaalsContact NH2-OD1 3.13Å; R3515-D3563 IonicContact NH2-OD2 2.75Å; R3515-D3563 PolarHBondContact NH2-OD2 3.33Å; Q3558-D3563 PolarHBondContact NE2-OD1 2.86Å; Q3558-D3563 WeakPolarHBondContact O-CB 3.47Å; Q3558-D3563 VanDerWaalsContact O-CG 3.29Å; Q3558-D3563 PolarHBondContact O-N 2.82Å; L3561-D3563 PolarHBondContact O-N 3.11Å; D3563-D3566 WeakPolarHBondContact O-CB 3.47Å; D3563-D3566 PolarHBondContact O-N 3.14Å; D3563-E3567 WeakPolarHBondContact O-CB 3.4Å; D3563-E3567 PolarHBondContact O-N 3.44Å |
| 3564 | A | 86.2 | Confident | 86.3 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.7 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L3561 L3562 D3566 Y3568 | L3561-A3564 PolarHBondContact O-N 3.25Å; L3562-A3564 VanDerWaalsContact C-N 3.34Å; L3562-A3564 PolarHBondContact O-N 3.36Å; A3564-D3566 VanDerWaalsContact C-N 3.34Å; A3564-Y3568 WeakPolarHBondContact O-CB 3.14Å; A3564-Y3568 PolarHBondContact O-N 3.03Å |
| 3565 | L | 88.7 | Confident | 86.4 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 174 | -70.1 | 178.3 | 0 | 0 | 0 | 111.6 | I3288 F3323 L3561 L3562 S3569 | I3288-L3565 HydrophobicContact CD1-CD2 4.13Å; F3323-L3565 HydrophobicContact CB-CD1 4.11Å; F3323-L3565 HydrophobicContact CD1-CB 4.01Å; F3323-L3565 HydrophobicContact CD1-CD1 3.94Å; F3323-L3565 HydrophobicContact CD2-CD1 4.12Å; F3323-L3565 HydrophobicContact CE1-CB 3.74Å; F3323-L3565 HydrophobicContact CE1-CD1 4.42Å; F3323-L3565 HydrophobicContact CG-CD1 3.77Å; F3323-L3565 HydrophobicContact CZ-CB 4.1Å; L3561-L3565 HydrophobicContact CD1-CD1 3.84Å; L3561-L3565 HydrophobicContact CD1-CG 4.13Å; L3561-L3565 HydrophobicContact CG-CD1 3.86Å; L3561-L3565 HydrophobicContact CG-CG 4.43Å; L3561-L3565 WeakPolarHBondContact O-CG 3.34Å; L3561-L3565 PolarHBondContact O-N 3.11Å; L3562-L3565 PolarHBondContact O-N 3.28Å; L3565-S3569 WeakPolarHBondContact O-CB 3.33Å; L3565-S3569 PolarHBondContact O-N 2.96Å; L3565-S3569 PolarHBondContact O-OG 3.06Å; L3565-S3569 VanDerWaalsContact O-OG 3.06Å |
| 3566 | D | 88.5 | Confident | 86.4 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -53.6 | 174.7 | -98.8 | 38.3 | 0 | 0 | 0 | 111.6 | W3257 F3323 N3325 Q3342 L3562 D3563 A3564 Y3568 S3569 A3570 | W3257-D3566 PolarHBondContact NE1-OD2 3.4Å; W3257-D3566 VanDerWaalsContact NE1-OD2 3.16Å; F3323-D3566 VanDerWaalsContact CZ-OD1 3.25Å; F3323-D3566 WeakPolarHBondContact CZ-OD1 3.48Å; N3325-D3566 PolarHBondContact ND2-OD1 2.69Å; N3325-D3566 PolarHBondContact ND2-OD2 3.45Å; Q3342-D3566 PolarHBondContact NE2-OD1 2.9Å; Q3342-D3566 VanDerWaalsContact NE2-OD1 3.14Å; Q3342-D3566 PolarHBondContact NE2-OD2 2.89Å; L3562-D3566 VanDerWaalsContact O-CB 3.32Å; L3562-D3566 WeakPolarHBondContact O-CB 3.26Å; L3562-D3566 PolarHBondContact O-N 2.81Å; D3563-D3566 WeakPolarHBondContact O-CB 3.47Å; D3563-D3566 PolarHBondContact O-N 3.14Å; A3564-D3566 VanDerWaalsContact C-N 3.34Å; D3566-Y3568 VanDerWaalsContact C-N 3.33Å; D3566-Y3568 PolarHBondContact O-N 3.21Å; D3566-S3569 PolarHBondContact O-OG 3.37Å; D3566-S3569 VanDerWaalsContact O-N 3.1Å; D3566-S3569 WeakPolarHBondContact CA-OG 3.06Å; D3566-S3569 PolarHBondContact O-N 3.43Å; D3566-A3570 WeakPolarHBondContact O-CB 3.46Å; D3566-A3570 PolarHBondContact O-N 3.2Å |
| 3567 | E | 87.5 | Confident | 86.4 | Confident | 135 Ų | 135 | 45.2 Ų | 45.2 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -55.9 | -48.3 | 178 | -174.8 | -178.9 | 178.7 | 0 | 0 | 111.3 | D3563 S3569 A3570 Y3571 | D3563-E3567 WeakPolarHBondContact O-CB 3.4Å; D3563-E3567 PolarHBondContact O-N 3.44Å; E3567-S3569 VanDerWaalsContact C-N 3.34Å; E3567-S3569 PolarHBondContact O-N 2.92Å; E3567-A3570 PolarHBondContact O-N 2.76Å; E3567-Y3571 WeakPolarHBondContact O-CB 3.37Å; E3567-Y3571 PolarHBondContact O-N 3.01Å |
| 3568 | Y | 89.9 | Confident | 86.3 | Confident | 97 Ų | 97 | 47.2 Ų | 47.2 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -46 | 174.9 | 166.5 | -97 | 0 | 0 | 0 | 111.9 | Q3182 I3288 A3564 D3566 Y3571 A3572 | Q3182-Y3568 VanDerWaalsContact OE1-CE1 3.25Å; Q3182-Y3568 PolarHBondContact OE1-OH 3.08Å; I3288-Y3568 HydrophobicContact CD1-CD1 4.17Å; I3288-Y3568 HydrophobicContact CD1-CE1 4.19Å; A3564-Y3568 WeakPolarHBondContact O-CB 3.14Å; A3564-Y3568 PolarHBondContact O-N 3.03Å; D3566-Y3568 VanDerWaalsContact C-N 3.33Å; D3566-Y3568 PolarHBondContact O-N 3.21Å; Y3568-Y3571 PolarHBondContact O-N 2.8Å; Y3568-A3572 WeakPolarHBondContact O-CB 3.43Å; Y3568-A3572 PolarHBondContact O-N 2.87Å; Y3568-A3572 VanDerWaalsContact O-CB 3.29Å |
| 3569 | S | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -38.4 | -176.3 | 68.2 | 0 | 0 | 0 | 0 | 112.9 | W3257 S3286 L3565 D3566 E3567 A3572 V3573 | W3257-S3569 WeakPolarHBondContact CZ2-OG 3.47Å; S3286-S3569 VanDerWaalsContact OG-CB 3.24Å; S3286-S3569 WeakPolarHBondContact OG-CB 3.5Å; L3565-S3569 WeakPolarHBondContact O-CB 3.33Å; L3565-S3569 PolarHBondContact O-N 2.96Å; L3565-S3569 PolarHBondContact O-OG 3.06Å; L3565-S3569 VanDerWaalsContact O-OG 3.06Å; D3566-S3569 PolarHBondContact O-OG 3.37Å; D3566-S3569 VanDerWaalsContact O-N 3.1Å; D3566-S3569 WeakPolarHBondContact CA-OG 3.06Å; D3566-S3569 PolarHBondContact O-N 3.43Å; E3567-S3569 VanDerWaalsContact C-N 3.34Å; E3567-S3569 PolarHBondContact O-N 2.92Å; S3569-A3572 PolarHBondContact O-N 3.37Å; S3569-V3573 WeakPolarHBondContact O-CB 3.33Å; S3569-V3573 VanDerWaalsContact O-CG2 3.25Å; S3569-V3573 WeakPolarHBondContact O-CG2 3.47Å; S3569-V3573 PolarHBondContact O-N 3.44Å |
| 3570 | A | 87.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | C3256 W3257 P3260 D3566 E3567 V3573 Q3574 | C3256-A3570 HydrophobicContact CB-CB 3.89Å; C3256-A3570 WeakPolarHBondContact O-CB 3.18Å; W3257-A3570 HydrophobicContact CD2-CB 4.16Å; W3257-A3570 HydrophobicContact CE3-CB 4.35Å; W3257-A3570 HydrophobicContact CZ2-CB 4.5Å; P3260-A3570 HydrophobicContact CG-CB 4.25Å; D3566-A3570 WeakPolarHBondContact O-CB 3.46Å; D3566-A3570 PolarHBondContact O-N 3.2Å; E3567-A3570 PolarHBondContact O-N 2.76Å; A3570-V3573 PolarHBondContact O-N 3.45Å; A3570-Q3574 WeakPolarHBondContact O-CB 3.37Å; A3570-Q3574 PolarHBondContact O-N 2.89Å |
| 3571 | Y | 88.8 | Confident | 84.2 | Confident | 139 Ų | 139 | 52.1 Ų | 52.1 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.6 | -179.8 | -99.4 | 0 | 0 | 0 | 112.4 | E3567 Y3568 V3573 Q3574 K3575 | E3567-Y3571 WeakPolarHBondContact O-CB 3.37Å; E3567-Y3571 PolarHBondContact O-N 3.01Å; Y3568-Y3571 PolarHBondContact O-N 2.8Å; Y3571-V3573 PolarHBondContact O-N 3.13Å; Y3571-Q3574 PolarHBondContact O-N 3.02Å; Y3571-Q3574 WeakPolarHBondContact O-CB 3.39Å; Y3571-K3575 HydrophobicContact CE1-CG 3.9Å; Y3571-K3575 HydrophobicContact CE2-CD 4.49Å; Y3571-K3575 HydrophobicContact CE2-CG 4.24Å; Y3571-K3575 PolarHBondContact O-N 3.36Å; Y3571-K3575 VanDerWaalsContact OH-CE 3.29Å; Y3571-K3575 WeakPolarHBondContact OH-CE 3.32Å; Y3571-K3575 HydrophobicContact CD1-CG 4.39Å |
| 3572 | A | 88 | Confident | 84.1 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L3180 Y3568 S3569 L3576 | L3180-A3572 HydrophobicContact CD2-CB 3.45Å; L3180-A3572 VanDerWaalsContact CD2-CB 3.45Å; Y3568-A3572 WeakPolarHBondContact O-CB 3.43Å; Y3568-A3572 PolarHBondContact O-N 2.87Å; Y3568-A3572 VanDerWaalsContact O-CB 3.29Å; S3569-A3572 PolarHBondContact O-N 3.37Å; A3572-L3576 WeakPolarHBondContact O-CB 3.46Å; A3572-L3576 PolarHBondContact O-N 2.89Å |
| 3573 | V | 87.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L3180 W3257 P3260 L3284 S3569 A3570 Y3571 K3575 L3576 L3577 | L3180-V3573 HydrophobicContact CB-CG2 4.07Å; L3180-V3573 HydrophobicContact CD2-CG2 4.42Å; W3257-V3573 HydrophobicContact CZ3-CG2 4.4Å; P3260-V3573 HydrophobicContact CB-CG1 4.37Å; L3284-V3573 HydrophobicContact CD1-CG1 4.43Å; L3284-V3573 HydrophobicContact CD2-CG1 4.3Å; S3569-V3573 WeakPolarHBondContact O-CB 3.33Å; S3569-V3573 VanDerWaalsContact O-CG2 3.25Å; S3569-V3573 WeakPolarHBondContact O-CG2 3.47Å; S3569-V3573 PolarHBondContact O-N 3.44Å; A3570-V3573 PolarHBondContact O-N 3.45Å; Y3571-V3573 PolarHBondContact O-N 3.13Å; V3573-K3575 PolarHBondContact O-N 3.21Å; V3573-L3576 WeakPolarHBondContact O-CB 3.03Å; V3573-L3576 VanDerWaalsContact O-N 3.17Å; V3573-L3576 PolarHBondContact O-N 2.96Å; V3573-L3577 HydrophobicContact CG1-CD1 4.28Å; V3573-L3577 HydrophobicContact CG1-CG 4.43Å; V3573-L3577 WeakPolarHBondContact O-CG 3.41Å; V3573-L3577 PolarHBondContact O-N 2.88Å |
| 3574 | Q | 86.3 | Confident | 83.7 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 174.9 | -177.9 | -179.1 | 0.2 | 0 | 0 | 111.8 | P3260 A3570 Y3571 L3576 L3577 E3578 | P3260-Q3574 HydrophobicContact CG-CB 4.27Å; A3570-Q3574 WeakPolarHBondContact O-CB 3.37Å; A3570-Q3574 PolarHBondContact O-N 2.89Å; Y3571-Q3574 PolarHBondContact O-N 3.02Å; Y3571-Q3574 WeakPolarHBondContact O-CB 3.39Å; Q3574-L3576 VanDerWaalsContact C-N 3.29Å; Q3574-L3576 PolarHBondContact O-N 3.45Å; Q3574-L3577 PolarHBondContact O-N 3.24Å; Q3574-L3577 VanDerWaalsContact O-N 3.12Å; Q3574-E3578 PolarHBondContact O-N 3.45Å |
| 3575 | K | 86.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.4 | -33.8 | 176.6 | -68 | -47.2 | -175.4 | -166.6 | 0 | 113 | Y3571 V3573 E3578 L3579 | Y3571-K3575 HydrophobicContact CE1-CG 3.9Å; Y3571-K3575 HydrophobicContact CE2-CD 4.49Å; Y3571-K3575 HydrophobicContact CE2-CG 4.24Å; Y3571-K3575 PolarHBondContact O-N 3.36Å; Y3571-K3575 VanDerWaalsContact OH-CE 3.29Å; Y3571-K3575 WeakPolarHBondContact OH-CE 3.32Å; Y3571-K3575 HydrophobicContact CD1-CG 4.39Å; V3573-K3575 PolarHBondContact O-N 3.21Å; K3575-E3578 WeakPolarHBondContact CD-OE2 2.99Å; K3575-E3578 IonicContact NZ-OE1 3.52Å; K3575-E3578 PolarHBondContact NZ-OE1 3.45Å; K3575-E3578 IonicContact NZ-OE2 3.77Å; K3575-E3578 PolarHBondContact NZ-OE2 3.06Å; K3575-E3578 PolarHBondContact O-N 3.21Å; K3575-L3579 WeakPolarHBondContact O-CG 3.37Å; K3575-L3579 PolarHBondContact O-N 2.91Å; K3575-L3579 WeakPolarHBondContact O-CD1 3.31Å; K3575-L3579 WeakPolarHBondContact O-CB 3.33Å |
| 3576 | L | 84.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 172 | -177 | 134.5 | 0 | 0 | 0 | 112.2 | D3148 W3150 V3178 L3180 A3572 V3573 Q3574 L3579 N3580 | D3148-L3576 HydrophobicContact CB-CD1 3.51Å; W3150-L3576 HydrophobicContact CZ2-CD2 3.8Å; V3178-L3576 HydrophobicContact CG1-CD2 4.32Å; L3180-L3576 HydrophobicContact CD1-CD1 4.15Å; A3572-L3576 WeakPolarHBondContact O-CB 3.46Å; A3572-L3576 PolarHBondContact O-N 2.89Å; V3573-L3576 WeakPolarHBondContact O-CB 3.03Å; V3573-L3576 VanDerWaalsContact O-N 3.17Å; V3573-L3576 PolarHBondContact O-N 2.96Å; Q3574-L3576 VanDerWaalsContact C-N 3.29Å; Q3574-L3576 PolarHBondContact O-N 3.45Å; L3576-L3579 PolarHBondContact O-N 2.74Å; L3576-N3580 PolarHBondContact O-N 3.15Å; L3576-N3580 PolarHBondContact O-ND2 2.98Å |
| 3577 | L | 81.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 175 | -66.5 | 177.1 | 0 | 0 | 0 | 111.7 | W3150 P3260 M3263 F3264 L3267 L3284 V3573 Q3574 L3579 N3580 G3581 | W3150-L3577 HydrophobicContact CH2-CD2 4Å; P3260-L3577 WeakPolarHBondContact O-CD1 3.39Å; M3263-L3577 HydrophobicContact CB-CD1 4.46Å; M3263-L3577 HydrophobicContact CE-CB 4.14Å; M3263-L3577 HydrophobicContact CG-CB 4.31Å; M3263-L3577 HydrophobicContact SD-CB 3.79Å; F3264-L3577 HydrophobicContact CB-CD1 4.04Å; F3264-L3577 HydrophobicContact CD2-CD1 4.2Å; F3264-L3577 HydrophobicContact CD2-CD2 3.64Å; F3264-L3577 HydrophobicContact CE2-CD2 4.2Å; L3267-L3577 HydrophobicContact CD1-CB 4.31Å; L3267-L3577 HydrophobicContact CD1-CD2 4.07Å; L3284-L3577 HydrophobicContact CD1-CD1 4.49Å; V3573-L3577 HydrophobicContact CG1-CD1 4.28Å; V3573-L3577 HydrophobicContact CG1-CG 4.43Å; V3573-L3577 WeakPolarHBondContact O-CG 3.41Å; V3573-L3577 PolarHBondContact O-N 2.88Å; Q3574-L3577 PolarHBondContact O-N 3.24Å; Q3574-L3577 VanDerWaalsContact O-N 3.12Å; L3577-L3579 VanDerWaalsContact C-N 3.3Å; L3577-L3579 PolarHBondContact O-N 3.25Å; L3577-N3580 PolarHBondContact O-N 3.23Å; L3577-N3580 VanDerWaalsContact O-N 3.14Å; L3577-G3581 PolarHBondContact O-N 2.51Å |
| 3578 | E | 83.3 | Confident | 82.6 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 172.3 | -72.4 | 175.9 | -160.3 | 0 | 0 | 113.1 | M3263 Q3574 K3575 N3580 | M3263-E3578 HydrophobicContact CE-CB 4.25Å; M3263-E3578 HydrophobicContact CE-CG 3.77Å; M3263-E3578 HydrophobicContact SD-CG 4.12Å; Q3574-E3578 PolarHBondContact O-N 3.45Å; K3575-E3578 WeakPolarHBondContact CD-OE2 2.99Å; K3575-E3578 IonicContact NZ-OE1 3.52Å; K3575-E3578 PolarHBondContact NZ-OE1 3.45Å; K3575-E3578 IonicContact NZ-OE2 3.77Å; K3575-E3578 PolarHBondContact NZ-OE2 3.06Å; K3575-E3578 PolarHBondContact O-N 3.21Å; E3578-N3580 PolarHBondContact O-N 3.21Å |
| 3579 | L | 75.2 | Confident | 82 | Confident | 131 Ų | 131 | 49.9 Ų | 49.9 | 69% | 0.686 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68 | -22.8 | 175.2 | -86.6 | 157.8 | 0 | 0 | 0 | 113.2 | K3575 L3576 L3577 | K3575-L3579 WeakPolarHBondContact O-CG 3.37Å; K3575-L3579 PolarHBondContact O-N 2.91Å; K3575-L3579 WeakPolarHBondContact O-CD1 3.31Å; K3575-L3579 WeakPolarHBondContact O-CB 3.33Å; L3576-L3579 PolarHBondContact O-N 2.74Å; L3577-L3579 VanDerWaalsContact C-N 3.3Å; L3577-L3579 PolarHBondContact O-N 3.25Å |
| 3580 | N | 68.8 | Low | 81.4 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -102.1 | -27.1 | -176.5 | -73.6 | -56.3 | 0 | 0 | 0 | 114.2 | P3112 H3114 L3576 L3577 E3578 | P3112-N3580 WeakPolarHBondContact CB-OD1 3.23Å; P3112-N3580 WeakPolarHBondContact CG-OD1 3.24Å; H3114-N3580 PolarHBondContact NE2-ND2 3.47Å; H3114-N3580 PolarHBondContact NE2-OD1 3.05Å; L3576-N3580 PolarHBondContact O-N 3.15Å; L3576-N3580 PolarHBondContact O-ND2 2.98Å; L3577-N3580 PolarHBondContact O-N 3.23Å; L3577-N3580 VanDerWaalsContact O-N 3.14Å; E3578-N3580 PolarHBondContact O-N 3.21Å |
| 3581 | G | 58.7 | Low | 80.8 | Confident | 95 Ų | 95 | 58.7 Ų | 58.7 | 98% | 0.979 | 33% | 0.329 | S | S | * | . | trans | -75 | 0 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L3577 | L3577-G3581 PolarHBondContact O-N 2.51Š|
Retrieved 3,581 of 3,581 residues in 2915.7 ms
(Link to these results)