| 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 | 46.3 | Very low | 55.7 | Low | 241 Ų | 241 | 153.7 Ų | 153.7 | 100% | 1.187 | 75% | 0.75 | S | S | * | * | 0 | 91.2 | 0 | -97 | 144.8 | 61.9 | 0 | 0 | 109.6 | C3 | M1-C3 PolarHBondContact O-N 3.01Š| |||
| 2 | R | 48.4 | Very low | 56.1 | Low | 257 Ų | 257 | 149.3 Ų | 149.3 | 97% | 0.97 | 74% | 0.738 | S | S | * | * | trans | -85.9 | 89.8 | 165 | -68.4 | 177 | 175.4 | -141.7 | -0.2 | 106.3 | ||||
| 3 | C | 60 | Low | 56.5 | Low | 80 Ų | 80 | 149.1 Ų | 149.1 | 54% | 0.541 | 74% | 0.74 | S | S | . | * | trans | -167 | 50.8 | 173.8 | -135.1 | 0 | 0 | 0 | 0 | 113.6 | M1 | M1-C3 PolarHBondContact O-N 3.01Š| ||
| 4 | L | 55.2 | Low | 56.6 | Low | 145 Ų | 145 | 154.6 Ų | 154.6 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -136.2 | -30.3 | 165.7 | -73.5 | 175.2 | 0 | 0 | 0 | 112.2 | E6 | L4-E6 PolarHBondContact O-N 3Š|
| 5 | A | 58.3 | Low | 56.8 | Low | 76 Ų | 76 | 153.2 Ų | 153.2 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -72.4 | -24.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 6 | E | 56 | Low | 56.9 | Low | 151 Ų | 151 | 149.7 Ų | 149.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -78.9 | -36.3 | 179.6 | -63.3 | -157.6 | 173.3 | 0 | 0 | 112.7 | L4 L8 R9 L10 | L4-E6 PolarHBondContact O-N 3Å; E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.24Å; E6-R9 PolarHBondContact O-N 3.25Å; E6-L10 PolarHBondContact O-N 3.19Å |
| 7 | F | 57.1 | Low | 57.3 | Low | 138 Ų | 138 | 146.5 Ų | 146.5 | 61% | 0.605 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -63.1 | -35.4 | 174.8 | -74 | -78.5 | 0 | 0 | 0 | 112.1 | R9 L10 L11 | F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.02Å; F7-L10 PolarHBondContact O-N 3.05Å; F7-L11 PolarHBondContact O-N 3.18Å |
| 8 | L | 56.9 | Low | 57.9 | Low | 125 Ų | 125 | 144.8 Ų | 144.8 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -69.2 | -29.8 | 177.3 | -125 | 127.5 | 0 | 0 | 0 | 112.7 | E6 | E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.24Å |
| 9 | R | 59.8 | Low | 58.9 | Low | 207 Ų | 207 | 139.5 Ų | 139.5 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -71.3 | -32.8 | 174.2 | -76.6 | -177.1 | 176.6 | -125 | -0.4 | 112.8 | E6 F7 | E6-R9 PolarHBondContact O-N 3.25Å; F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.02Å |
| 10 | L | 56.1 | Low | 60.4 | Low | 127 Ų | 127 | 138.4 Ų | 138.4 | 67% | 0.665 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -74.6 | -33.4 | 175.9 | -91.5 | 122.1 | 0 | 0 | 0 | 113 | E6 F7 V12 L13 | E6-L10 PolarHBondContact O-N 3.19Å; F7-L10 PolarHBondContact O-N 3.05Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 3.31Å |
| 11 | L | 58.1 | Low | 62 | Low | 144 Ų | 144 | 132.6 Ų | 132.6 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.5 | -26.7 | -176.3 | -150.3 | 81.7 | 0 | 0 | 0 | 113.6 | F7 | F7-L11 PolarHBondContact O-N 3.18Å |
| 12 | V | 60.6 | Low | 64.3 | Low | 100 Ų | 100 | 125.1 Ų | 125.1 | 61% | 0.606 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -78 | -21.3 | -176.7 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | L10 W14 | L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 2.86Å; V12-W14 VanDerWaalsContact C-N 3.28Å; V12-W14 PolarHBondContact O-N 2.82Å |
| 13 | L | 61.3 | Low | 66.6 | Low | 147 Ų | 147 | 115.1 Ų | 115.1 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -81.8 | 0.5 | -176.2 | -75.6 | 162.4 | 0 | 0 | 0 | 114.5 | L10 | L10-L13 PolarHBondContact O-N 3.31Š|
| 14 | W | 58.4 | Low | 68.3 | Low | 226 Ų | 226 | 115.2 Ų | 115.2 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -116.4 | 25 | -178.1 | -87.1 | 53.9 | 0 | 0 | 0 | 113.4 | V12 P16 | V12-W14 VanDerWaalsContact C-N 3.28Å; V12-W14 PolarHBondContact O-N 2.82Å; W14-P16 WeakPolarHBondContact O-CD 3.46Å |
| 15 | I | 60 | Low | 70.3 | Confident | 134 Ų | 134 | 111.5 Ų | 111.5 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | trans | -87.9 | 96.6 | 163.6 | -55.9 | 171.4 | 0 | 0 | 0 | 106.1 | A17 | I15-A17 PolarHBondContact O-N 3.43Š| ||
| 16 | P | 58.6 | Low | 71.5 | Confident | 97 Ų | 97 | 112.2 Ų | 112.2 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | trans | -54.9 | 120.7 | 162.7 | 23.1 | -30.3 | 0 | 0 | 0 | 106.2 | W14 T18 | W14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-T18 HydrophobicContact CB-CG2 4.25Å; P16-T18 HydrophobicContact CG-CG2 4.21Å; P16-T18 WeakPolarHBondContact O-CG2 3.26Å; P16-T18 PolarHBondContact O-N 3.08Å | ||
| 17 | A | 62.1 | Low | 72.9 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 79% | 0.793 | 59% | 0.591 | S | S | * | * | trans | -66.4 | 88.9 | 174 | 0 | 0 | 0 | 0 | 0 | 107.2 | I15 G19 | I15-A17 PolarHBondContact O-N 3.43Å; A17-G19 PolarHBondContact O-N 3.43Å | ||
| 18 | T | 68.4 | Low | 74.1 | Confident | 115 Ų | 115 | 107.6 Ų | 107.6 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | trans | -80.5 | 49.7 | -175.8 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | P16 D20 | P16-T18 HydrophobicContact CB-CG2 4.25Å; P16-T18 HydrophobicContact CG-CG2 4.21Å; P16-T18 WeakPolarHBondContact O-CG2 3.26Å; P16-T18 PolarHBondContact O-N 3.08Å; T18-D20 VanDerWaalsContact C-N 3.32Å | ||
| 19 | G | 78.2 | Confident | 75.6 | Confident | 44 Ų | 44 | 106 Ų | 106 | 45% | 0.454 | 61% | 0.605 | S | S | . | * | trans | -67 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A17 K46 E117 | A17-G19 PolarHBondContact O-N 3.43Å; G19-K46 PolarHBondContact O-NZ 2.86Å; G19-E117 VanDerWaalsContact O-OE2 3.13Å | ||
| 20 | D | 88.4 | Confident | 77.2 | Confident | 118 Ų | 118 | 99.2 Ų | 99.2 | 63% | 0.631 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -82 | 147.6 | -167.8 | -55.2 | -19.3 | 0 | 0 | 0 | 113.7 | T18 V22 | T18-D20 VanDerWaalsContact C-N 3.32Å; D20-V22 PolarHBondContact O-N 2.89Å |
| 21 | I | 93.4 | Very high | 79 | Confident | 16 Ų | 16 | 98.8 Ų | 98.8 | 8% | 0.082 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -75.6 | 119.3 | 165.7 | -63.5 | 161.1 | 0 | 0 | 0 | 110 | M23 S45 K46 L48 Q114 L116 E117 | I21-M23 HydrophobicContact CG2-SD 3.91Å; I21-S45 WeakPolarHBondContact CA-OG 3.45Å; I21-K46 HydrophobicContact CG1-CB 4.23Å; I21-K46 HydrophobicContact CG1-CD 3.97Å; I21-K46 HydrophobicContact CG1-CG 4.29Å; I21-L48 HydrophobicContact CD1-CD2 4.06Å; I21-L48 HydrophobicContact CG2-CD2 3.92Å; I21-Q114 HydrophobicContact CB-CG 3.92Å; I21-Q114 HydrophobicContact CD1-CG 4.44Å; I21-Q114 HydrophobicContact CG2-CB 4.26Å; I21-Q114 HydrophobicContact CG2-CG 3.71Å; I21-L116 HydrophobicContact CD1-CB 4Å; I21-L116 HydrophobicContact CD1-CD1 4.25Å; I21-E117 HydrophobicContact CD1-CB 4.18Å; I21-E117 HydrophobicContact CD1-CG 3.74Å; I21-E117 HydrophobicContact CG1-CG 4.31Å; I21-E117 WeakPolarHBondContact CG1-OE2 3.37Å; I21-E117 PolarHBondContact N-OE2 2.86Å; I21-E117 VanDerWaalsContact N-OE2 3.09Å |
| 22 | V | 94.6 | Very high | 80.7 | Confident | 85 Ų | 85 | 93.7 Ų | 93.7 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -98.8 | 130.4 | 177.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | D20 S44 S45 | D20-V22 PolarHBondContact O-N 2.89Å; V22-S44 CarbonylContact O-C 3.49Å; V22-S44 WeakPolarHBondContact O-CA 3.38Å; V22-S45 PolarHBondContact N-OG 3.17Å; V22-S45 PolarHBondContact O-N 3.3Å |
| 23 | M | 96.2 | Very high | 82.4 | Confident | 47 Ų | 47 | 93.7 Ų | 93.7 | 23% | 0.232 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.3 | 175 | -53.3 | -54.3 | -62.8 | 0 | 0 | 110.2 | I21 C42 R43 L48 L57 Q114 | I21-M23 HydrophobicContact CG2-SD 3.91Å; M23-C42 WeakPolarHBondContact CE-SG 3.4Å; M23-R43 CarbonylContact C-O 3.5Å; M23-R43 WeakPolarHBondContact CA-O 3.33Å; M23-L48 HydrophobicContact CE-CD1 4.18Å; M23-L57 HydrophobicContact CE-CD1 3.92Å; M23-Q114 HydrophobicContact CG-CG 4.3Å; M23-Q114 HydrophobicContact SD-CB 3.74Å; M23-Q114 HydrophobicContact SD-CG 3.89Å |
| 24 | T | 97.4 | Very high | 84.1 | Confident | 82 Ų | 82 | 91.9 Ų | 91.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.2 | 129 | -178 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | C42 R43 | T24-C42 CarbonylContact O-C 3.59Å; T24-C42 WeakPolarHBondContact O-CA 3.26Å; T24-R43 PolarHBondContact N-O 3.47Å; T24-R43 PolarHBondContact O-N 3.47Å |
| 25 | Q | 96.7 | Very high | 86 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 31% | 0.313 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.2 | 173.5 | -71.9 | 174.8 | -134.6 | 0 | 0 | 109.6 | C42 Y110 C112 | Q25-C42 HydrophobicContact CG-CB 4.22Å; Q25-Y110 PolarHBondContact NE2-O 3.05Å; Q25-C112 PolarHBondContact OE1-SG 3.34Å; Q25-C112 VanDerWaalsContact OE1-SG 3.34Å |
| 26 | A | 84 | Confident | 87.8 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -80.7 | -33.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 27 | A | 84.1 | Confident | 89.7 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | trans | -112.6 | 126.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S29 V30 | A27-S29 VanDerWaalsContact C-N 3.29Å; A27-S29 PolarHBondContact O-N 2.89Å; A27-V30 HydrophobicContact CB-CG2 4.06Å | ||
| 28 | P | 83.1 | Confident | 91.4 | Very high | 139 Ų | 139 | 75.7 Ų | 75.7 | 90% | 0.903 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -70.2 | -27.6 | 177.1 | 28.1 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 29 | S | 88.8 | Confident | 92.7 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | trans | -151.2 | 141.4 | 179 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | A27 | A27-S29 VanDerWaalsContact C-N 3.29Å; A27-S29 PolarHBondContact O-N 2.89Å | ||
| 30 | V | 92.7 | Very high | 93.7 | Very high | 65 Ų | 65 | 71.9 Ų | 71.9 | 39% | 0.394 | 46% | 0.46 | S | S | . | . | trans | -122.5 | 104.1 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | A27 V38 I40 | A27-V30 HydrophobicContact CB-CG2 4.06Å; V30-V38 HydrophobicContact CG1-CB 4.04Å; V30-V38 HydrophobicContact CG1-CG1 3.98Å; V30-I40 HydrophobicContact CG2-CG1 4.41Å | ||
| 31 | P | 94.1 | Very high | 94.1 | Very high | 118 Ų | 118 | 69.4 Ų | 69.4 | 77% | 0.766 | 45% | 0.452 | S | S | * | . | trans | -67.4 | 142.5 | 174.5 | 29.4 | -33.3 | 0 | 0 | 0 | 109.8 | ||||
| 32 | A | 94.6 | Very high | 94.3 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 31% | 0.306 | 45% | 0.449 | S | S | . | . | trans | -148.5 | 137.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V38 V102 | A32-V38 HydrophobicContact CB-CG1 3.54Å; A32-V102 HydrophobicContact CB-CB 4.38Å; A32-V102 HydrophobicContact CB-CG1 4Å; A32-V102 HydrophobicContact CB-CG2 4.13Å | ||
| 33 | N | 96.4 | Very high | 94.5 | Very high | 100 Ų | 100 | 71.7 Ų | 71.7 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | trans | -90.6 | 152.8 | 169.5 | -56.3 | -38.5 | 0 | 0 | 0 | 110.4 | G35 E36 | N33-G35 PolarHBondContact O-N 3.46Å; N33-E36 HydrophobicContact CB-CG 4.04Å; N33-E36 WeakPolarHBondContact CB-OE1 3.41Å; N33-E36 PolarHBondContact N-OE2 2.79Å; N33-E36 PolarHBondContact ND2-OE1 3.28Å; N33-E36 VanDerWaalsContact O-CB 3.3Å; N33-E36 WeakPolarHBondContact O-CB 3.47Å; N33-E36 PolarHBondContact O-N 2.84Å | ||
| 34 | P | 97.1 | Very high | 94.5 | Very high | 108 Ų | 108 | 69.6 Ų | 69.6 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 133.5 | 174 | -27.8 | 35.5 | 0 | 0 | 0 | 112.5 | E36 V102 | P34-E36 VanDerWaalsContact C-N 3.3Å; P34-E36 PolarHBondContact O-N 2.86Å; P34-V102 CarbonylContact C-O 3.58Å; P34-V102 VanDerWaalsContact CA-O 3.24Å; P34-V102 WeakPolarHBondContact CA-O 3.24Å |
| 35 | G | 97.8 | Very high | 94.4 | Very high | 54 Ų | 54 | 69 Ų | 69 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -14.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N33 V102 | N33-G35 PolarHBondContact O-N 3.46Å; G35-V102 PolarHBondContact N-O 2.95Å |
| 36 | E | 98 | Very high | 94.4 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | trans | -69.9 | 171.4 | 173.7 | -68.6 | 179.1 | 175 | 0 | 0 | 111.6 | N33 P34 R101 V102 | N33-E36 HydrophobicContact CB-CG 4.04Å; N33-E36 WeakPolarHBondContact CB-OE1 3.41Å; N33-E36 PolarHBondContact N-OE2 2.79Å; N33-E36 PolarHBondContact ND2-OE1 3.28Å; N33-E36 VanDerWaalsContact O-CB 3.3Å; N33-E36 WeakPolarHBondContact O-CB 3.47Å; N33-E36 PolarHBondContact O-N 2.84Å; P34-E36 VanDerWaalsContact C-N 3.3Å; P34-E36 PolarHBondContact O-N 2.86Å; E36-R101 WeakPolarHBondContact O-CA 3.3Å; E36-R101 PolarHBondContact O-N 3.37Å; E36-V102 PolarHBondContact O-N 2.92Å | ||
| 37 | S | 98 | Very high | 94.9 | Very high | 56 Ų | 56 | 67.9 Ų | 67.9 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | trans | -120 | 134.2 | 170.5 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | I99 | S37-I99 CarbonylContact C-O 3.53Å; S37-I99 WeakPolarHBondContact CA-O 3.3Å | ||
| 38 | V | 97 | Very high | 95.5 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 11% | 0.109 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156.3 | 179 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | V30 A32 R98 I99 V102 | V30-V38 HydrophobicContact CG1-CB 4.04Å; V30-V38 HydrophobicContact CG1-CG1 3.98Å; A32-V38 HydrophobicContact CB-CG1 3.54Å; V38-R98 WeakPolarHBondContact O-CA 3.26Å; V38-I99 HydrophobicContact CG2-CB 3.99Å; V38-I99 HydrophobicContact CG2-CD1 4.07Å; V38-I99 HydrophobicContact CG2-CG1 4.23Å; V38-I99 PolarHBondContact N-O 3.43Å; V38-I99 PolarHBondContact O-N 2.93Å; V38-V102 HydrophobicContact CG2-CG2 3.83Å |
| 39 | S | 97.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 63.4 Ų | 63.4 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.3 | 176.8 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | L97 R98 | S39-L97 CarbonylContact C-O 3.52Å; S39-L97 VanDerWaalsContact CA-O 3.26Å; S39-L97 WeakPolarHBondContact CA-O 3.2Å; S39-R98 PolarHBondContact OG-NH1 2.91Å |
| 40 | I | 97.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.9 | 177.4 | -60.2 | 166 | 0 | 0 | 0 | 107.3 | V30 W59 T96 L97 Y110 | V30-I40 HydrophobicContact CG2-CG1 4.41Å; I40-W59 HydrophobicContact CB-CH2 4.44Å; I40-W59 HydrophobicContact CG2-CH2 4.03Å; I40-W59 HydrophobicContact CG2-CZ3 3.96Å; I40-W59 WeakPolarHBondContact O-CH2 3.47Å; I40-T96 WeakPolarHBondContact O-CA 2.92Å; I40-L97 HydrophobicContact CB-CB 4.37Å; I40-L97 HydrophobicContact CD1-CD2 4.24Å; I40-L97 PolarHBondContact N-O 2.75Å; I40-L97 PolarHBondContact O-N 2.91Å; I40-Y110 HydrophobicContact CD1-CD1 4.5Å; I40-Y110 HydrophobicContact CD1-CD2 3.76Å; I40-Y110 HydrophobicContact CD1-CE2 4.42Å; I40-Y110 HydrophobicContact CD1-CG 3.79Å |
| 41 | S | 97.5 | Very high | 96.6 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 141.3 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | F95 | S41-F95 WeakPolarHBondContact CA-O 3.26Å |
| 42 | C | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.3 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | M23 T24 Q25 W59 F95 C112 | M23-C42 WeakPolarHBondContact CE-SG 3.4Å; T24-C42 CarbonylContact O-C 3.59Å; T24-C42 WeakPolarHBondContact O-CA 3.26Å; Q25-C42 HydrophobicContact CG-CB 4.22Å; C42-W59 HydrophobicContact CB-CH2 3.54Å; C42-W59 HydrophobicContact CB-CZ2 3.79Å; C42-W59 HydrophobicContact CB-CZ3 4.45Å; C42-F95 PolarHBondContact N-O 3.37Å; C42-F95 PolarHBondContact O-N 3.43Å; C42-C112 HydrophobicContact CB-CB 3.51Å; C42-C112 WeakPolarHBondContact CB-SG 3.17Å; C42-C112 WeakPolarHBondContact SG-CB 3.44Å; C42-C112 CovalentContact SG-SG 2.01Å; C42-C112 PolarHBondContact SG-SG 3.18Å |
| 43 | R | 98 | Very high | 96.8 | Very high | 147 Ų | 147 | 63.4 Ų | 63.4 | 56% | 0.555 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.1 | 176.6 | -178.3 | 173.7 | -68.2 | 155.7 | 1.7 | 111.2 | M23 T24 T93 D94 | M23-R43 CarbonylContact C-O 3.5Å; M23-R43 WeakPolarHBondContact CA-O 3.33Å; T24-R43 PolarHBondContact N-O 3.47Å; T24-R43 PolarHBondContact O-N 3.47Å; R43-T93 CarbonylContact C-O 3.19Å; R43-T93 WeakPolarHBondContact CA-O 3.41Å; R43-D94 IonicContact CZ-OD1 3.53Å; R43-D94 VanDerWaalsContact CZ-OD1 3.32Å; R43-D94 IonicContact NE-OD1 2.79Å; R43-D94 PolarHBondContact NE-OD1 3.34Å; R43-D94 IonicContact NH2-OD1 3.59Å; R43-D94 PolarHBondContact NH2-OD1 3.09Å |
| 44 | S | 97 | Very high | 96.7 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.028 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 151.1 | 169 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | V22 K46 T93 | V22-S44 CarbonylContact O-C 3.49Å; V22-S44 WeakPolarHBondContact O-CA 3.38Å; S44-K46 VanDerWaalsContact C-N 3.26Å; S44-K46 WeakPolarHBondContact CB-O 3.49Å; S44-K46 PolarHBondContact O-N 3.37Å; S44-K46 PolarHBondContact OG-O 3.33Å; S44-T93 PolarHBondContact N-O 3.47Å; S44-T93 WeakPolarHBondContact O-CB 3.35Å; S44-T93 WeakPolarHBondContact O-CG2 3.38Å; S44-T93 WeakPolarHBondContact OG-CA 3.21Å |
| 45 | S | 96 | Very high | 96.8 | Very high | 68 Ų | 68 | 57.8 Ų | 57.8 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -71.7 | -18.3 | 176.5 | 62.6 | 0 | 0 | 0 | 0 | 114 | I21 V22 | I21-S45 WeakPolarHBondContact CA-OG 3.45Å; V22-S45 PolarHBondContact N-OG 3.17Å; V22-S45 PolarHBondContact O-N 3.3Å |
| 46 | K | 95.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 57.4 Ų | 57.4 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -138.8 | 163.5 | 178.2 | -53.4 | -178.9 | -162.6 | 162 | 0 | 110.3 | G19 I21 S44 L48 E117 | G19-K46 PolarHBondContact O-NZ 2.86Å; I21-K46 HydrophobicContact CG1-CB 4.23Å; I21-K46 HydrophobicContact CG1-CD 3.97Å; I21-K46 HydrophobicContact CG1-CG 4.29Å; S44-K46 VanDerWaalsContact C-N 3.26Å; S44-K46 WeakPolarHBondContact CB-O 3.49Å; S44-K46 PolarHBondContact O-N 3.37Å; S44-K46 PolarHBondContact OG-O 3.33Å; K46-L48 PolarHBondContact O-N 2.91Å; K46-E117 IonicContact NZ-OE1 3.34Å; K46-E117 PolarHBondContact NZ-OE1 3.36Å; K46-E117 IonicContact NZ-OE2 3.53Å |
| 47 | S | 96.1 | Very high | 96.7 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | trans | -58.4 | 133.4 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 111 | L49 G92 | S47-L49 VanDerWaalsContact C-N 3.31Å; S47-L49 WeakPolarHBondContact OG-CB 3.23Å; S47-L49 PolarHBondContact OG-N 3.49Å; S47-G92 WeakPolarHBondContact CA-O 3.31Å | ||
| 48 | L | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -90.8 | 8.3 | 175.1 | -57.9 | -171.6 | 0 | 0 | 0 | 113.6 | I21 M23 K46 H50 T55 Y56 L57 G92 F95 Q114 L116 | I21-L48 HydrophobicContact CD1-CD2 4.06Å; I21-L48 HydrophobicContact CG2-CD2 3.92Å; M23-L48 HydrophobicContact CE-CD1 4.18Å; K46-L48 PolarHBondContact O-N 2.91Å; L48-H50 PolarHBondContact O-N 3.05Å; L48-T55 HydrophobicContact CB-CG2 3.64Å; L48-T55 VanDerWaalsContact O-CA 3.29Å; L48-T55 WeakPolarHBondContact O-CA 3.33Å; L48-Y56 PolarHBondContact O-N 2.9Å; L48-L57 HydrophobicContact CD1-CB 4.1Å; L48-L57 HydrophobicContact CD1-CD1 3.8Å; L48-G92 PolarHBondContact N-O 2.76Å; L48-F95 HydrophobicContact CB-CE2 4.48Å; L48-F95 HydrophobicContact CB-CZ 4.05Å; L48-F95 HydrophobicContact CD1-CD2 4.45Å; L48-F95 HydrophobicContact CD1-CE2 3.61Å; L48-F95 HydrophobicContact CD1-CZ 3.87Å; L48-F95 HydrophobicContact CG-CE2 3.95Å; L48-F95 HydrophobicContact CG-CZ 4.03Å; L48-Q114 HydrophobicContact CD1-CB 3.88Å; L48-Q114 HydrophobicContact CD2-CB 3.61Å; L48-Q114 HydrophobicContact CD2-CG 4.47Å; L48-Q114 HydrophobicContact CG-CB 4.41Å; L48-L116 HydrophobicContact CB-CD1 4.42Å; L48-L116 HydrophobicContact CD2-CD1 4.31Å | ||
| 49 | L | 97.2 | Very high | 96.8 | Very high | 97 Ų | 97 | 51.8 Ų | 51.8 | 51% | 0.508 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 116.2 | 178 | -178 | 64.3 | 0 | 0 | 0 | 110.8 | S47 G53 | S47-L49 VanDerWaalsContact C-N 3.31Å; S47-L49 WeakPolarHBondContact OG-CB 3.23Å; S47-L49 PolarHBondContact OG-N 3.49Å; L49-G53 WeakPolarHBondContact CD1-O 3.45Å |
| 50 | H | 95.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | trans | -81.8 | 161.4 | 173.9 | -172 | -110.4 | 0 | 0 | 0 | 111.8 | L48 S52 G53 N54 Y56 L116 | L48-H50 PolarHBondContact O-N 3.05Å; H50-S52 WeakPolarHBondContact ND1-CB 3.34Å; H50-S52 PolarHBondContact ND1-N 2.81Å; H50-S52 PolarHBondContact ND1-OG 2.89Å; H50-S52 PolarHBondContact O-N 3.34Å; H50-S52 VanDerWaalsContact O-N 3.1Å; H50-G53 PolarHBondContact O-N 2.77Å; H50-N54 WeakPolarHBondContact CB-O 3.45Å; H50-N54 PolarHBondContact N-O 3.04Å; H50-Y56 HydrophobicContact CB-CD2 3.68Å; H50-Y56 HydrophobicContact CB-CE2 3.37Å; H50-Y56 AromaticContact CG-CE2 3.75Å; H50-L116 HydrophobicContact CB-CD2 3.84Å | ||
| 51 | S | 95.5 | Very high | 96.9 | Very high | 118 Ų | 118 | 50.6 Ų | 50.6 | 83% | 0.825 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.9 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | G53 | S51-G53 PolarHBondContact O-N 2.92Š|
| 52 | S | 95.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.3 | 173.9 | 68.4 | 0 | 0 | 0 | 0 | 114 | H50 N54 | H50-S52 WeakPolarHBondContact ND1-CB 3.34Å; H50-S52 PolarHBondContact ND1-N 2.81Å; H50-S52 PolarHBondContact ND1-OG 2.89Å; H50-S52 PolarHBondContact O-N 3.34Å; H50-S52 VanDerWaalsContact O-N 3.1Å; S52-N54 VanDerWaalsContact C-N 3.29Å; S52-N54 PolarHBondContact O-N 2.8Å; S52-N54 PolarHBondContact OG-ND2 2.79Å |
| 53 | G | 95.5 | Very high | 96.9 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 84.1 | -3.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L49 H50 S51 | L49-G53 WeakPolarHBondContact CD1-O 3.45Å; H50-G53 PolarHBondContact O-N 2.77Å; S51-G53 PolarHBondContact O-N 2.92Å |
| 54 | N | 96.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -86.3 | 143.6 | 176.9 | -65.8 | -37.6 | 0 | 0 | 0 | 110.7 | H50 S52 Y56 | H50-N54 WeakPolarHBondContact CB-O 3.45Å; H50-N54 PolarHBondContact N-O 3.04Å; S52-N54 VanDerWaalsContact C-N 3.29Å; S52-N54 PolarHBondContact O-N 2.8Å; S52-N54 PolarHBondContact OG-ND2 2.79Å; N54-Y56 HydrophobicContact CB-CD2 4.34Å; N54-Y56 HydrophobicContact CB-CE2 3.76Å | ||
| 55 | T | 97.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -103.6 | 121.3 | 172.8 | -58.2 | 0 | 0 | 0 | 0 | 110 | L48 L57 Y74 I75 F95 | L48-T55 HydrophobicContact CB-CG2 3.64Å; L48-T55 VanDerWaalsContact O-CA 3.29Å; L48-T55 WeakPolarHBondContact O-CA 3.33Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.89Å; T55-L57 VanDerWaalsContact O-N 3.11Å; T55-Y74 WeakPolarHBondContact O-CA 3.34Å; T55-I75 HydrophobicContact CG2-CD1 3.62Å; T55-I75 HydrophobicContact CG2-CG1 3.82Å; T55-F95 HydrophobicContact CG2-CE1 3.83Å; T55-F95 HydrophobicContact CG2-CZ 3.89Å |
| 56 | Y | 96.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | trans | -91.9 | 63 | -171.1 | -73.8 | -104.5 | 0 | 0 | 0 | 111.9 | L48 H50 N54 Y58 Y74 Q114 G115 L116 | L48-Y56 PolarHBondContact O-N 2.9Å; H50-Y56 HydrophobicContact CB-CD2 3.68Å; H50-Y56 HydrophobicContact CB-CE2 3.37Å; H50-Y56 AromaticContact CG-CE2 3.75Å; N54-Y56 HydrophobicContact CB-CD2 4.34Å; N54-Y56 HydrophobicContact CB-CE2 3.76Å; Y56-Y58 HydrophobicContact CD1-CE2 4.32Å; Y56-Y58 WeakPolarHBondContact CD1-OH 3.4Å; Y56-Y74 HydrophobicContact CD1-CD1 4.49Å; Y56-Y74 AromaticContact CD1-CE1 3.74Å; Y56-Y74 HydrophobicContact CD1-CE1 3.74Å; Y56-Y74 AromaticContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CG-CE1 4.26Å; Y56-Q114 WeakPolarHBondContact O-CA 3.49Å; Y56-G115 PolarHBondContact O-N 3.5Å; Y56-L116 HydrophobicContact CD2-CD2 3.48Å; Y56-L116 VanDerWaalsContact CD2-CD2 3.48Å; Y56-L116 HydrophobicContact CE2-CD2 4.26Å; Y56-L116 HydrophobicContact CG-CD2 3.79Å | ||
| 57 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.3 | 169.1 | -175.8 | 84.8 | 0 | 0 | 0 | 110.4 | M23 L48 T55 Y74 I75 F95 C112 | M23-L57 HydrophobicContact CE-CD1 3.92Å; L48-L57 HydrophobicContact CD1-CB 4.1Å; L48-L57 HydrophobicContact CD1-CD1 3.8Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.89Å; T55-L57 VanDerWaalsContact O-N 3.11Å; L57-Y74 PolarHBondContact O-N 2.89Å; L57-I75 HydrophobicContact CB-CG1 4.3Å; L57-I75 PolarHBondContact O-N 2.84Å; L57-F95 HydrophobicContact CB-CD1 4.41Å; L57-F95 HydrophobicContact CB-CE1 4.36Å; L57-F95 HydrophobicContact CD1-CB 4.27Å; L57-F95 HydrophobicContact CD1-CD1 4.47Å; L57-F95 HydrophobicContact CD1-CD2 3.73Å; L57-F95 HydrophobicContact CD1-CE2 4.15Å; L57-F95 HydrophobicContact CD1-CG 3.9Å; L57-F95 HydrophobicContact CD2-CB 3.45Å; L57-F95 VanDerWaalsContact CD2-CB 3.45Å; L57-F95 HydrophobicContact CD2-CD1 3.53Å; L57-F95 HydrophobicContact CD2-CD2 4.17Å; L57-F95 HydrophobicContact CD2-CE1 4.28Å; L57-F95 HydrophobicContact CD2-CG 3.44Å; L57-F95 VanDerWaalsContact CD2-CG 3.44Å; L57-F95 HydrophobicContact CG-CB 4.47Å; L57-F95 HydrophobicContact CG-CD1 4.33Å; L57-F95 HydrophobicContact CG-CD2 4.44Å; L57-F95 HydrophobicContact CG-CG 4.16Å; L57-C112 HydrophobicContact CD1-CB 4.29Å |
| 58 | Y | 98.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145 | 175.3 | -56.1 | -97 | 0 | 0 | 0 | 110.3 | Y56 L70 I72 Y73 Y74 C112 M113 | Y56-Y58 HydrophobicContact CD1-CE2 4.32Å; Y56-Y58 WeakPolarHBondContact CD1-OH 3.4Å; Y58-L70 HydrophobicContact CD1-CD1 3.96Å; Y58-I72 CarbonylContact C-O 3.56Å; Y58-I72 VanDerWaalsContact CA-O 3.27Å; Y58-I72 WeakPolarHBondContact CA-O 3.48Å; Y58-Y73 VanDerWaalsContact CD1-CB 3.49Å; Y58-Y74 WeakPolarHBondContact OH-CE1 3.49Å; Y58-C112 CarbonylContact O-C 3.59Å; Y58-C112 WeakPolarHBondContact O-CA 3.38Å; Y58-M113 PolarHBondContact N-O 2.92Å; Y58-M113 PolarHBondContact O-N 3.1Å |
| 59 | W | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.6 | 168.4 | -70.5 | 97.1 | 0 | 0 | 0 | 109.8 | I40 C42 L71 I72 L97 Y111 C112 | I40-W59 HydrophobicContact CB-CH2 4.44Å; I40-W59 HydrophobicContact CG2-CH2 4.03Å; I40-W59 HydrophobicContact CG2-CZ3 3.96Å; I40-W59 WeakPolarHBondContact O-CH2 3.47Å; C42-W59 HydrophobicContact CB-CH2 3.54Å; C42-W59 HydrophobicContact CB-CZ2 3.79Å; C42-W59 HydrophobicContact CB-CZ3 4.45Å; W59-L71 HydrophobicContact CB-CB 4.32Å; W59-L71 HydrophobicContact CB-CD2 4.41Å; W59-L71 WeakPolarHBondContact O-CA 3.36Å; W59-L71 WeakPolarHBondContact O-CB 3.32Å; W59-L71 PolarHBondContact O-N 3.45Å; W59-I72 HydrophobicContact CB-CB 4.14Å; W59-I72 PolarHBondContact N-O 3.16Å; W59-I72 PolarHBondContact O-N 3.32Å; W59-L97 HydrophobicContact CD2-CB 3.67Å; W59-L97 HydrophobicContact CD2-CD2 4.12Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.87Å; W59-L97 HydrophobicContact CE3-CD2 3.85Å; W59-L97 HydrophobicContact CE3-CG 4.46Å; W59-L97 HydrophobicContact CG-CB 4.28Å; W59-L97 HydrophobicContact CG-CD1 4.37Å; W59-L97 HydrophobicContact CG-CD2 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.81Å; W59-L97 HydrophobicContact CZ2-CB 3.64Å; W59-L97 VanDerWaalsContact CZ2-N 3.34Å; W59-L97 HydrophobicContact CZ3-CB 3.93Å; W59-L97 HydrophobicContact CZ3-CD2 4.31Å; W59-Y111 CarbonylContact C-O 3.54Å; W59-Y111 WeakPolarHBondContact CA-O 3.33Å; W59-C112 HydrophobicContact CD2-CB 4.21Å; W59-C112 HydrophobicContact CE3-CB 3.94Å; W59-C112 HydrophobicContact CH2-CB 3.93Å; W59-C112 HydrophobicContact CZ2-CB 4.16Å; W59-C112 HydrophobicContact CZ3-CB 3.81Å |
| 60 | F | 98.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 21% | 0.211 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.6 | 175 | -64.9 | -96.8 | 0 | 0 | 0 | 110.2 | P68 Q69 L70 Y110 Y111 M113 | F60-P68 HydrophobicContact CB-CB 4.33Å; F60-Q69 CarbonylContact C-O 3.52Å; F60-Q69 WeakPolarHBondContact CA-O 3.49Å; F60-L70 HydrophobicContact CD1-CB 4.27Å; F60-L70 HydrophobicContact CD1-CD1 4.4Å; F60-L70 HydrophobicContact CE1-CB 3.98Å; F60-L70 HydrophobicContact CE1-CD1 3.9Å; F60-L70 HydrophobicContact CE2-CD1 4.31Å; F60-L70 HydrophobicContact CZ-CD1 3.85Å; F60-Y110 CarbonylContact O-C 3.56Å; F60-Y110 VanDerWaalsContact O-CA 3.3Å; F60-Y110 WeakPolarHBondContact O-CA 3.48Å; F60-Y111 PolarHBondContact N-O 3.35Å; F60-Y111 PolarHBondContact O-N 3.03Å; F60-M113 HydrophobicContact CD2-CB 4.32Å; F60-M113 HydrophobicContact CE2-CB 4Å; F60-M113 HydrophobicContact CE2-SD 4.05Å |
| 61 | L | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126 | 170.4 | 171.2 | 55.6 | 0 | 0 | 0 | 109.2 | R63 Q69 Y110 | L61-R63 HydrophobicContact CD2-CG 4.35Å; L61-R63 HydrophobicContact CG-CG 4.24Å; L61-Q69 PolarHBondContact N-O 3.09Å; L61-Q69 PolarHBondContact O-N 3.06Å; L61-Y110 HydrophobicContact CB-CD1 4.21Å; L61-Y110 HydrophobicContact CB-CE1 3.98Å; L61-Y110 HydrophobicContact CD1-CD1 4.11Å; L61-Y110 HydrophobicContact CD1-CD2 4.14Å; L61-Y110 HydrophobicContact CD1-CE1 3.71Å; L61-Y110 HydrophobicContact CD1-CE2 3.73Å; L61-Y110 HydrophobicContact CD1-CG 4.32Å; L61-Y110 HydrophobicContact CD2-CE1 4.14Å; L61-Y110 HydrophobicContact CG-CE1 4.15Å |
| 62 | Q | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.9 | 169.4 | -171.2 | 175.3 | 14 | 0 | 0 | 110.2 | Q66 P68 G108 V109 Y111 | Q62-Q66 VanDerWaalsContact CG-O 3.26Å; Q62-Q66 WeakPolarHBondContact CG-O 3.39Å; Q62-Q66 PolarHBondContact NE2-O 2.81Å; Q62-P68 HydrophobicContact CB-CB 4.37Å; Q62-P68 HydrophobicContact CB-CG 4.18Å; Q62-P68 HydrophobicContact CG-CG 4.18Å; Q62-G108 CarbonylContact O-C 3.55Å; Q62-G108 VanDerWaalsContact O-CA 3.26Å; Q62-G108 WeakPolarHBondContact O-CA 3.44Å; Q62-V109 PolarHBondContact N-O 2.75Å; Q62-V109 PolarHBondContact O-N 2.83Å; Q62-Y111 HydrophobicContact CB-CE2 3.85Å; Q62-Y111 PolarHBondContact OE1-OH 3.24Å |
| 63 | R | 96.4 | Very high | 97.6 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | trans | -77.4 | 156.3 | 172.4 | -64.8 | -173.7 | -174.1 | 102.1 | -5.9 | 111 | L61 G65 Q66 E105 | L61-R63 HydrophobicContact CD2-CG 4.35Å; L61-R63 HydrophobicContact CG-CG 4.24Å; R63-G65 PolarHBondContact O-N 3.23Å; R63-Q66 HydrophobicContact CB-CB 4.26Å; R63-Q66 HydrophobicContact CB-CG 4.21Å; R63-Q66 PolarHBondContact O-N 2.82Å; R63-E105 PolarHBondContact NE-O 3.21Å; R63-E105 VanDerWaalsContact NE-O 3.08Å | ||
| 64 | P | 96.1 | Very high | 97.8 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 68% | 0.682 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 127.6 | 175.5 | -27.4 | 35.4 | 0 | 0 | 0 | 112.2 | Q66 V107 | P64-Q66 PolarHBondContact O-N 2.97Å; P64-V107 WeakPolarHBondContact CD-O 3.48Å |
| 65 | G | 97 | Very high | 97.9 | Very high | 95 Ų | 95 | 51 Ų | 51 | 98% | 0.979 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 4.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R63 | R63-G65 PolarHBondContact O-N 3.23Š|
| 66 | Q | 97.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -109.4 | 160.1 | 177.4 | -60.2 | -172.3 | -8.3 | 0 | 0 | 111.4 | Q62 R63 P64 | Q62-Q66 VanDerWaalsContact CG-O 3.26Å; Q62-Q66 WeakPolarHBondContact CG-O 3.39Å; Q62-Q66 PolarHBondContact NE2-O 2.81Å; R63-Q66 HydrophobicContact CB-CB 4.26Å; R63-Q66 HydrophobicContact CB-CG 4.21Å; R63-Q66 PolarHBondContact O-N 2.82Å; P64-Q66 PolarHBondContact O-N 2.97Å |
| 67 | S | 97.7 | Very high | 98 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | trans | -74 | 155.3 | 166.5 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | Q69 | S67-Q69 PolarHBondContact O-N 3.48Š| ||
| 68 | P | 97.8 | Very high | 98 | Very high | 66 Ų | 66 | 57.3 Ų | 57.3 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | trans | -55.2 | 135.2 | 171.2 | -23.9 | 33.7 | 0 | 0 | 0 | 111.8 | F60 Q62 | F60-P68 HydrophobicContact CB-CB 4.33Å; Q62-P68 HydrophobicContact CB-CB 4.37Å; Q62-P68 HydrophobicContact CB-CG 4.18Å; Q62-P68 HydrophobicContact CG-CG 4.18Å | ||
| 69 | Q | 98.3 | Very high | 98 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 43% | 0.425 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.5 | 176.4 | -67.1 | 177.5 | 24.1 | 0 | 0 | 109.8 | F60 L61 S67 L71 | F60-Q69 CarbonylContact C-O 3.52Å; F60-Q69 WeakPolarHBondContact CA-O 3.49Å; L61-Q69 PolarHBondContact N-O 3.09Å; L61-Q69 PolarHBondContact O-N 3.06Å; S67-Q69 PolarHBondContact O-N 3.48Å; Q69-L71 PolarHBondContact O-N 3.3Å |
| 70 | L | 98.6 | Very high | 98 | Very high | 68 Ų | 68 | 62.4 Ų | 62.4 | 36% | 0.356 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 127.5 | 176.4 | -179.2 | 66.5 | 0 | 0 | 0 | 109.6 | Y58 F60 Y73 A79 | Y58-L70 HydrophobicContact CD1-CD1 3.96Å; F60-L70 HydrophobicContact CD1-CB 4.27Å; F60-L70 HydrophobicContact CD1-CD1 4.4Å; F60-L70 HydrophobicContact CE1-CB 3.98Å; F60-L70 HydrophobicContact CE1-CD1 3.9Å; F60-L70 HydrophobicContact CE2-CD1 4.31Å; F60-L70 HydrophobicContact CZ-CD1 3.85Å; L70-Y73 HydrophobicContact CD2-CD1 4.38Å; L70-A79 HydrophobicContact CB-CB 4.39Å; L70-A79 HydrophobicContact CD2-CB 4.17Å; L70-A79 HydrophobicContact CG-CB 4.02Å; L70-A79 WeakPolarHBondContact O-CB 3.31Å |
| 71 | L | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -54.5 | 179.7 | -171.2 | 76.2 | 0 | 0 | 0 | 110.7 | W59 Q69 A79 V82 F86 L97 Y110 | W59-L71 HydrophobicContact CB-CB 4.32Å; W59-L71 HydrophobicContact CB-CD2 4.41Å; W59-L71 WeakPolarHBondContact O-CA 3.36Å; W59-L71 WeakPolarHBondContact O-CB 3.32Å; W59-L71 PolarHBondContact O-N 3.45Å; Q69-L71 PolarHBondContact O-N 3.3Å; L71-A79 PolarHBondContact O-N 2.85Å; L71-V82 HydrophobicContact CD1-CB 4.42Å; L71-V82 HydrophobicContact CD1-CG1 3.45Å; L71-V82 VanDerWaalsContact CD1-CG1 3.45Å; L71-V82 HydrophobicContact CD1-CG2 4.03Å; L71-V82 HydrophobicContact CG-CG1 4.08Å; L71-F86 HydrophobicContact CD1-CD1 4.03Å; L71-F86 HydrophobicContact CD1-CD2 4.25Å; L71-F86 HydrophobicContact CD1-CE1 4.14Å; L71-F86 HydrophobicContact CD1-CE2 4.37Å; L71-F86 HydrophobicContact CD1-CG 4.07Å; L71-F86 HydrophobicContact CD1-CZ 4.3Å; L71-F86 HydrophobicContact CD2-CD1 3.71Å; L71-F86 HydrophobicContact CD2-CE1 4.08Å; L71-F86 HydrophobicContact CD2-CG 4.34Å; L71-F86 HydrophobicContact CG-CD1 4.27Å; L71-F86 HydrophobicContact CG-CG 4.44Å; L71-L97 HydrophobicContact CD2-CD1 3.8Å; L71-L97 HydrophobicContact CD2-CD2 3.85Å; L71-Y110 HydrophobicContact CD2-CD1 4.09Å; L71-Y110 HydrophobicContact CD2-CE1 3.85Å |
| 72 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.8 | -178.5 | -64.3 | 178.1 | 0 | 0 | 0 | 109.3 | Y58 W59 I75 N77 L78 S87 L97 | Y58-I72 CarbonylContact C-O 3.56Å; Y58-I72 VanDerWaalsContact CA-O 3.27Å; Y58-I72 WeakPolarHBondContact CA-O 3.48Å; W59-I72 HydrophobicContact CB-CB 4.14Å; W59-I72 PolarHBondContact N-O 3.16Å; W59-I72 PolarHBondContact O-N 3.32Å; I72-I75 VanDerWaalsContact CG2-C 3.49Å; I72-I75 WeakPolarHBondContact CG2-O 3.32Å; I72-N77 CarbonylContact C-O 3.49Å; I72-N77 WeakPolarHBondContact CA-O 3.37Å; I72-N77 WeakPolarHBondContact CG2-O 2.98Å; I72-L78 HydrophobicContact CD1-CD2 4.04Å; I72-L78 HydrophobicContact CG1-CD2 3.73Å; I72-S87 VanDerWaalsContact CD1-C 3.48Å; I72-L97 HydrophobicContact CD1-CD1 3.67Å |
| 73 | Y | 98.4 | Very high | 98 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 157.3 | 172.2 | 66.7 | -81.1 | 0 | 0 | 0 | 110.8 | Y58 L70 I75 N77 | Y58-Y73 VanDerWaalsContact CD1-CB 3.49Å; L70-Y73 HydrophobicContact CD2-CD1 4.38Å; Y73-I75 VanDerWaalsContact C-N 3.34Å; Y73-I75 PolarHBondContact O-N 2.81Å; Y73-N77 HydrophobicContact CD1-CB 3.9Å; Y73-N77 VanDerWaalsContact CD1-O 3.26Å; Y73-N77 WeakPolarHBondContact CD1-O 3.34Å; Y73-N77 HydrophobicContact CD2-CB 4Å; Y73-N77 HydrophobicContact CE1-CB 3.56Å; Y73-N77 HydrophobicContact CE2-CB 3.68Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.19Å; Y73-N77 HydrophobicContact CG-CB 4.11Å; Y73-N77 VanDerWaalsContact CZ-CB 3.43Å; Y73-N77 PolarHBondContact N-O 3.28Å; Y73-N77 VanDerWaalsContact O-CB 3.31Å; Y73-N77 WeakPolarHBondContact O-CB 3.46Å; Y73-N77 PolarHBondContact O-N 2.97Å |
| 74 | Y | 97.8 | Very high | 98.1 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 52.1 | -176.4 | -58.3 | -37 | 0 | 0 | 0 | 113.6 | T55 Y56 L57 Y58 S76 | T55-Y74 WeakPolarHBondContact O-CA 3.34Å; Y56-Y74 HydrophobicContact CD1-CD1 4.49Å; Y56-Y74 AromaticContact CD1-CE1 3.74Å; Y56-Y74 HydrophobicContact CD1-CE1 3.74Å; Y56-Y74 AromaticContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CG-CE1 4.26Å; L57-Y74 PolarHBondContact O-N 2.89Å; Y58-Y74 WeakPolarHBondContact OH-CE1 3.49Å; Y74-S76 PolarHBondContact O-N 2.92Å |
| 75 | I | 98.2 | Very high | 98.2 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 14% | 0.138 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -49.3 | -178.1 | -55.3 | 162.8 | 0 | 0 | 0 | 114.6 | T55 L57 I72 Y73 G88 F95 | T55-I75 HydrophobicContact CG2-CD1 3.62Å; T55-I75 HydrophobicContact CG2-CG1 3.82Å; L57-I75 HydrophobicContact CB-CG1 4.3Å; L57-I75 PolarHBondContact O-N 2.84Å; I72-I75 VanDerWaalsContact CG2-C 3.49Å; I72-I75 WeakPolarHBondContact CG2-O 3.32Å; Y73-I75 VanDerWaalsContact C-N 3.34Å; Y73-I75 PolarHBondContact O-N 2.81Å; I75-G88 CarbonylContact O-C 3.54Å; I75-G88 WeakPolarHBondContact O-CA 2.95Å; I75-F95 HydrophobicContact CD1-CE1 4.32Å; I75-F95 HydrophobicContact CG1-CD1 4.34Å; I75-F95 HydrophobicContact CG1-CE1 4.09Å |
| 76 | S | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 49% | 0.49 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | -8.2 | -164.2 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | Y74 G88 | Y74-S76 PolarHBondContact O-N 2.92Å; S76-G88 WeakPolarHBondContact CB-O 3.27Å |
| 77 | N | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.7 | -178.4 | -61.3 | -22.7 | 0 | 0 | 0 | 110.6 | I72 Y73 | I72-N77 CarbonylContact C-O 3.49Å; I72-N77 WeakPolarHBondContact CA-O 3.37Å; I72-N77 WeakPolarHBondContact CG2-O 2.98Å; Y73-N77 HydrophobicContact CD1-CB 3.9Å; Y73-N77 VanDerWaalsContact CD1-O 3.26Å; Y73-N77 WeakPolarHBondContact CD1-O 3.34Å; Y73-N77 HydrophobicContact CD2-CB 4Å; Y73-N77 HydrophobicContact CE1-CB 3.56Å; Y73-N77 HydrophobicContact CE2-CB 3.68Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.19Å; Y73-N77 HydrophobicContact CG-CB 4.11Å; Y73-N77 VanDerWaalsContact CZ-CB 3.43Å; Y73-N77 PolarHBondContact N-O 3.28Å; Y73-N77 VanDerWaalsContact O-CB 3.31Å; Y73-N77 WeakPolarHBondContact O-CB 3.46Å; Y73-N77 PolarHBondContact O-N 2.97Å |
| 78 | L | 98.8 | Very high | 98.3 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 32% | 0.319 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.6 | 176.5 | -66.4 | 166.6 | 0 | 0 | 0 | 110.6 | I72 V82 F86 | I72-L78 HydrophobicContact CD1-CD2 4.04Å; I72-L78 HydrophobicContact CG1-CD2 3.73Å; L78-V82 HydrophobicContact CB-CB 4.31Å; L78-V82 HydrophobicContact CD2-CB 4.23Å; L78-V82 HydrophobicContact CD2-CG1 3.6Å; L78-F86 HydrophobicContact CD2-CB 3.82Å; L78-F86 WeakPolarHBondContact CD2-O 3.43Å |
| 79 | A | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 159.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | L70 L71 G81 V82 | L70-A79 HydrophobicContact CB-CB 4.39Å; L70-A79 HydrophobicContact CD2-CB 4.17Å; L70-A79 HydrophobicContact CG-CB 4.02Å; L70-A79 WeakPolarHBondContact O-CB 3.31Å; L71-A79 PolarHBondContact O-N 2.85Å; A79-G81 PolarHBondContact O-N 3.43Å; A79-V82 HydrophobicContact CB-CG2 3.94Å; A79-V82 WeakPolarHBondContact O-CB 3.39Å; A79-V82 WeakPolarHBondContact O-CG2 3.37Å; A79-V82 PolarHBondContact O-N 2.88Å; A79-V82 VanDerWaalsContact O-N 3.09Å |
| 80 | S | 98.3 | Very high | 98.4 | Very high | 132 Ų | 132 | 50.7 Ų | 50.7 | 92% | 0.923 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 128.8 | -180 | -59.4 | 0 | 0 | 0 | 0 | 112 | V82 | S80-V82 VanDerWaalsContact C-N 3.29Å; S80-V82 PolarHBondContact O-N 2.01Å |
| 81 | G | 97.8 | Very high | 98.2 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 86% | 0.856 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -1.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | A79 P83 | A79-G81 PolarHBondContact O-N 3.43Å; G81-P83 WeakPolarHBondContact O-CD 3.21Å |
| 82 | V | 98.3 | Very high | 98.1 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | trans | -77.5 | 127.1 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L71 L78 A79 S80 F86 | L71-V82 HydrophobicContact CD1-CB 4.42Å; L71-V82 HydrophobicContact CD1-CG1 3.45Å; L71-V82 VanDerWaalsContact CD1-CG1 3.45Å; L71-V82 HydrophobicContact CD1-CG2 4.03Å; L71-V82 HydrophobicContact CG-CG1 4.08Å; L78-V82 HydrophobicContact CB-CB 4.31Å; L78-V82 HydrophobicContact CD2-CB 4.23Å; L78-V82 HydrophobicContact CD2-CG1 3.6Å; A79-V82 HydrophobicContact CB-CG2 3.94Å; A79-V82 WeakPolarHBondContact O-CB 3.39Å; A79-V82 WeakPolarHBondContact O-CG2 3.37Å; A79-V82 PolarHBondContact O-N 2.88Å; A79-V82 VanDerWaalsContact O-N 3.09Å; S80-V82 VanDerWaalsContact C-N 3.29Å; S80-V82 PolarHBondContact O-N 2.01Å; V82-F86 HydrophobicContact CG1-CB 4.03Å; V82-F86 HydrophobicContact CG1-CD2 3.71Å; V82-F86 HydrophobicContact CG1-CE2 4.49Å; V82-F86 HydrophobicContact CG1-CG 4.06Å | ||
| 83 | P | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 55 Ų | 55 | 29% | 0.286 | 36% | 0.358 | S | S | . | . | trans | -61.1 | 148.8 | 178.7 | -27.4 | 37.2 | 0 | 0 | 0 | 113.9 | G81 R85 F86 | G81-P83 WeakPolarHBondContact O-CD 3.21Å; P83-R85 HydrophobicContact CB-CG 4.1Å; P83-R85 PolarHBondContact O-N 2.84Å; P83-F86 HydrophobicContact CB-CD2 4.26Å; P83-F86 HydrophobicContact CB-CE2 4.47Å; P83-F86 HydrophobicContact CG-CE2 4.37Å; P83-F86 WeakPolarHBondContact O-CD2 3.34Å; P83-F86 PolarHBondContact O-N 2.9Å; P83-F86 VanDerWaalsContact O-N 3.16Å | ||
| 84 | D | 98 | Very high | 98 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.2 | 179.1 | 72.1 | -11.3 | 0 | 0 | 0 | 114.2 | F86 R101 | D84-F86 PolarHBondContact O-N 2.84Å; D84-R101 IonicContact OD1-NH2 3.43Å |
| 85 | R | 98.1 | Very high | 98 | Very high | 14 Ų | 14 | 51 Ų | 51 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.7 | 175.6 | 85.2 | -177.5 | 166.5 | -107.2 | -7.3 | 112.1 | P83 I99 S100 E103 E105 D106 | P83-R85 HydrophobicContact CB-CG 4.1Å; P83-R85 PolarHBondContact O-N 2.84Å; R85-I99 HydrophobicContact CG-CG2 4.44Å; R85-S100 VanDerWaalsContact CA-OG 3.31Å; R85-S100 WeakPolarHBondContact CA-OG 3.41Å; R85-S100 VanDerWaalsContact CB-O 3.23Å; R85-S100 WeakPolarHBondContact CB-O 3.39Å; R85-S100 WeakPolarHBondContact CG-O 3.14Å; R85-S100 PolarHBondContact O-N 3.03Å; R85-S100 PolarHBondContact O-OG 3.11Å; R85-E103 VanDerWaalsContact CZ-CD 3.47Å; R85-E103 IonicContact CZ-OE1 3.61Å; R85-E103 IonicContact CZ-OE2 3.64Å; R85-E103 IonicContact NE-OE1 2.9Å; R85-E103 IonicContact NH1-OE1 2.88Å; R85-E103 PolarHBondContact NH1-OE1 3.24Å; R85-E103 IonicContact NH1-OE2 2.85Å; R85-E103 PolarHBondContact NH1-OE2 2.9Å; R85-E103 IonicContact NH2-OE2 3.32Å; R85-E105 IonicContact CZ-OE1 3.97Å; R85-E105 IonicContact NH1-OE1 3.28Å; R85-E105 IonicContact NH2-OE1 3.9Å; R85-E105 PolarHBondContact NH2-OE1 2.85Å; R85-D106 IonicContact CZ-OD1 3.92Å; R85-D106 IonicContact CZ-OD2 2.93Å; R85-D106 IonicContact NE-OD1 2.75Å; R85-D106 PolarHBondContact NE-OD1 3.43Å; R85-D106 IonicContact NE-OD2 2.91Å; R85-D106 PolarHBondContact NE-OD2 2.83Å; R85-D106 IonicContact NH2-OD1 3.63Å; R85-D106 PolarHBondContact NH2-OD1 3.06Å; R85-D106 IonicContact NH2-OD2 3.57Å |
| 86 | F | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.3 | 171.9 | -65.6 | -84.1 | 0 | 0 | 0 | 111 | L71 L78 V82 P83 D84 L97 R98 I99 D106 Y110 | L71-F86 HydrophobicContact CD1-CD1 4.03Å; L71-F86 HydrophobicContact CD1-CD2 4.25Å; L71-F86 HydrophobicContact CD1-CE1 4.14Å; L71-F86 HydrophobicContact CD1-CE2 4.37Å; L71-F86 HydrophobicContact CD1-CG 4.07Å; L71-F86 HydrophobicContact CD1-CZ 4.3Å; L71-F86 HydrophobicContact CD2-CD1 3.71Å; L71-F86 HydrophobicContact CD2-CE1 4.08Å; L71-F86 HydrophobicContact CD2-CG 4.34Å; L71-F86 HydrophobicContact CG-CD1 4.27Å; L71-F86 HydrophobicContact CG-CG 4.44Å; L78-F86 HydrophobicContact CD2-CB 3.82Å; L78-F86 WeakPolarHBondContact CD2-O 3.43Å; V82-F86 HydrophobicContact CG1-CB 4.03Å; V82-F86 HydrophobicContact CG1-CD2 3.71Å; V82-F86 HydrophobicContact CG1-CE2 4.49Å; V82-F86 HydrophobicContact CG1-CG 4.06Å; P83-F86 HydrophobicContact CB-CD2 4.26Å; P83-F86 HydrophobicContact CB-CE2 4.47Å; P83-F86 HydrophobicContact CG-CE2 4.37Å; P83-F86 WeakPolarHBondContact O-CD2 3.34Å; P83-F86 PolarHBondContact O-N 2.9Å; P83-F86 VanDerWaalsContact O-N 3.16Å; D84-F86 PolarHBondContact O-N 2.84Å; F86-L97 HydrophobicContact CD1-CD1 4.48Å; F86-R98 CarbonylContact C-O 3.57Å; F86-R98 WeakPolarHBondContact CA-O 3.13Å; F86-I99 HydrophobicContact CD1-CB 4.4Å; F86-I99 HydrophobicContact CD1-CD1 4.34Å; F86-I99 HydrophobicContact CD1-CG1 3.78Å; F86-I99 HydrophobicContact CD1-CG2 4.14Å; F86-I99 HydrophobicContact CE1-CB 4.34Å; F86-I99 HydrophobicContact CE1-CD1 3.78Å; F86-I99 HydrophobicContact CE1-CG1 3.7Å; F86-I99 HydrophobicContact CE1-CG2 3.82Å; F86-I99 HydrophobicContact CZ-CG2 4.22Å; F86-D106 VanDerWaalsContact CZ-OD1 3.26Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.48Å; F86-Y110 HydrophobicContact CE1-CE1 4.02Å |
| 87 | S | 98.7 | Very high | 98 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 146.5 | 174.3 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | I72 R98 | I72-S87 VanDerWaalsContact CD1-C 3.48Å; S87-R98 PolarHBondContact N-O 3.27Å; S87-R98 PolarHBondContact O-N 2.88Å |
| 88 | G | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I75 S76 T96 | I75-G88 CarbonylContact O-C 3.54Å; I75-G88 WeakPolarHBondContact O-CA 2.95Å; S76-G88 WeakPolarHBondContact CB-O 3.27Å; G88-T96 CarbonylContact C-O 3.51Å; G88-T96 WeakPolarHBondContact CA-O 3.38Å |
| 89 | S | 98.4 | Very high | 98 | Very high | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 165.2 | -178.8 | 66.1 | 0 | 0 | 0 | 0 | 111 | F95 T96 | S89-F95 CarbonylContact O-C 3.57Å; S89-F95 WeakPolarHBondContact O-CA 3.45Å; S89-T96 PolarHBondContact N-O 2.99Å; S89-T96 PolarHBondContact O-N 2.85Å |
| 90 | G | 97.7 | Very high | 98 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | 173 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D94 | G90-D94 WeakPolarHBondContact CA-O 3.26Å |
| 91 | S | 96.2 | Very high | 98 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 162.4 | 178 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | T93 D94 | S91-T93 PolarHBondContact O-N 2.98Å; S91-D94 PolarHBondContact N-O 2.68Å; S91-D94 PolarHBondContact O-N 3.47Å |
| 92 | G | 95.2 | Very high | 98 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -104.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | S47 L48 F95 | S47-G92 WeakPolarHBondContact CA-O 3.31Å; L48-G92 PolarHBondContact N-O 2.76Å; G92-F95 VanDerWaalsContact O-CZ 3.31Å; G92-F95 WeakPolarHBondContact O-CZ 3.46Å |
| 93 | T | 97.6 | Very high | 98 | Very high | 48 Ų | 48 | 47 Ų | 47 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -11.4 | -174.8 | 49.3 | 0 | 0 | 0 | 0 | 114.9 | R43 S44 S91 | R43-T93 CarbonylContact C-O 3.19Å; R43-T93 WeakPolarHBondContact CA-O 3.41Å; S44-T93 PolarHBondContact N-O 3.47Å; S44-T93 WeakPolarHBondContact O-CB 3.35Å; S44-T93 WeakPolarHBondContact O-CG2 3.38Å; S44-T93 WeakPolarHBondContact OG-CA 3.21Å; S91-T93 PolarHBondContact O-N 2.98Å |
| 94 | D | 98.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.6 | -169.2 | -65.6 | -95.5 | 0 | 0 | 0 | 110.5 | R43 G90 S91 | R43-D94 IonicContact CZ-OD1 3.53Å; R43-D94 VanDerWaalsContact CZ-OD1 3.32Å; R43-D94 IonicContact NE-OD1 2.79Å; R43-D94 PolarHBondContact NE-OD1 3.34Å; R43-D94 IonicContact NH2-OD1 3.59Å; R43-D94 PolarHBondContact NH2-OD1 3.09Å; G90-D94 WeakPolarHBondContact CA-O 3.26Å; S91-D94 PolarHBondContact N-O 2.68Å; S91-D94 PolarHBondContact O-N 3.47Å |
| 95 | F | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.7 | -172.7 | -54.2 | -78.4 | 0 | 0 | 0 | 111.5 | S41 C42 L48 T55 L57 I75 S89 G92 | S41-F95 WeakPolarHBondContact CA-O 3.26Å; C42-F95 PolarHBondContact N-O 3.37Å; C42-F95 PolarHBondContact O-N 3.43Å; L48-F95 HydrophobicContact CB-CE2 4.48Å; L48-F95 HydrophobicContact CB-CZ 4.05Å; L48-F95 HydrophobicContact CD1-CD2 4.45Å; L48-F95 HydrophobicContact CD1-CE2 3.61Å; L48-F95 HydrophobicContact CD1-CZ 3.87Å; L48-F95 HydrophobicContact CG-CE2 3.95Å; L48-F95 HydrophobicContact CG-CZ 4.03Å; T55-F95 HydrophobicContact CG2-CE1 3.83Å; T55-F95 HydrophobicContact CG2-CZ 3.89Å; L57-F95 HydrophobicContact CB-CD1 4.41Å; L57-F95 HydrophobicContact CB-CE1 4.36Å; L57-F95 HydrophobicContact CD1-CB 4.27Å; L57-F95 HydrophobicContact CD1-CD1 4.47Å; L57-F95 HydrophobicContact CD1-CD2 3.73Å; L57-F95 HydrophobicContact CD1-CE2 4.15Å; L57-F95 HydrophobicContact CD1-CG 3.9Å; L57-F95 HydrophobicContact CD2-CB 3.45Å; L57-F95 VanDerWaalsContact CD2-CB 3.45Å; L57-F95 HydrophobicContact CD2-CD1 3.53Å; L57-F95 HydrophobicContact CD2-CD2 4.17Å; L57-F95 HydrophobicContact CD2-CE1 4.28Å; L57-F95 HydrophobicContact CD2-CG 3.44Å; L57-F95 VanDerWaalsContact CD2-CG 3.44Å; L57-F95 HydrophobicContact CG-CB 4.47Å; L57-F95 HydrophobicContact CG-CD1 4.33Å; L57-F95 HydrophobicContact CG-CD2 4.44Å; L57-F95 HydrophobicContact CG-CG 4.16Å; I75-F95 HydrophobicContact CD1-CE1 4.32Å; I75-F95 HydrophobicContact CG1-CD1 4.34Å; I75-F95 HydrophobicContact CG1-CE1 4.09Å; S89-F95 CarbonylContact O-C 3.57Å; S89-F95 WeakPolarHBondContact O-CA 3.45Å; G92-F95 VanDerWaalsContact O-CZ 3.31Å; G92-F95 WeakPolarHBondContact O-CZ 3.46Å |
| 96 | T | 98.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 128.6 | -179.4 | -60.8 | 0 | 0 | 0 | 0 | 110 | I40 G88 S89 | I40-T96 WeakPolarHBondContact O-CA 2.92Å; G88-T96 CarbonylContact C-O 3.51Å; G88-T96 WeakPolarHBondContact CA-O 3.38Å; S89-T96 PolarHBondContact N-O 2.99Å; S89-T96 PolarHBondContact O-N 2.85Å |
| 97 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.2 | 160.3 | 174.2 | 65.7 | 0 | 0 | 0 | 108.1 | S39 I40 W59 L71 I72 F86 Y110 | S39-L97 CarbonylContact C-O 3.52Å; S39-L97 VanDerWaalsContact CA-O 3.26Å; S39-L97 WeakPolarHBondContact CA-O 3.2Å; I40-L97 HydrophobicContact CB-CB 4.37Å; I40-L97 HydrophobicContact CD1-CD2 4.24Å; I40-L97 PolarHBondContact N-O 2.75Å; I40-L97 PolarHBondContact O-N 2.91Å; W59-L97 HydrophobicContact CD2-CB 3.67Å; W59-L97 HydrophobicContact CD2-CD2 4.12Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.87Å; W59-L97 HydrophobicContact CE3-CD2 3.85Å; W59-L97 HydrophobicContact CE3-CG 4.46Å; W59-L97 HydrophobicContact CG-CB 4.28Å; W59-L97 HydrophobicContact CG-CD1 4.37Å; W59-L97 HydrophobicContact CG-CD2 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.81Å; W59-L97 HydrophobicContact CZ2-CB 3.64Å; W59-L97 VanDerWaalsContact CZ2-N 3.34Å; W59-L97 HydrophobicContact CZ3-CB 3.93Å; W59-L97 HydrophobicContact CZ3-CD2 4.31Å; L71-L97 HydrophobicContact CD2-CD1 3.8Å; L71-L97 HydrophobicContact CD2-CD2 3.85Å; I72-L97 HydrophobicContact CD1-CD1 3.67Å; F86-L97 HydrophobicContact CD1-CD1 4.48Å; L97-Y110 HydrophobicContact CD2-CD1 3.33Å; L97-Y110 HydrophobicContact CD2-CE1 3.83Å; L97-Y110 HydrophobicContact CD2-CG 4.03Å |
| 98 | R | 98.2 | Very high | 97.5 | Very high | 99 Ų | 99 | 51 Ų | 51 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.4 | 173.6 | 176.1 | 167.7 | -173.5 | 74.6 | -3.8 | 110 | V38 S39 F86 S87 | V38-R98 WeakPolarHBondContact O-CA 3.26Å; S39-R98 PolarHBondContact OG-NH1 2.91Å; F86-R98 CarbonylContact C-O 3.57Å; F86-R98 WeakPolarHBondContact CA-O 3.13Å; S87-R98 PolarHBondContact N-O 3.27Å; S87-R98 PolarHBondContact O-N 2.88Å |
| 99 | I | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.6 | 173.1 | -44.5 | 175 | 0 | 0 | 0 | 105.9 | S37 V38 R85 F86 V102 Y110 | S37-I99 CarbonylContact C-O 3.53Å; S37-I99 WeakPolarHBondContact CA-O 3.3Å; V38-I99 HydrophobicContact CG2-CB 3.99Å; V38-I99 HydrophobicContact CG2-CD1 4.07Å; V38-I99 HydrophobicContact CG2-CG1 4.23Å; V38-I99 PolarHBondContact N-O 3.43Å; V38-I99 PolarHBondContact O-N 2.93Å; R85-I99 HydrophobicContact CG-CG2 4.44Å; F86-I99 HydrophobicContact CD1-CB 4.4Å; F86-I99 HydrophobicContact CD1-CD1 4.34Å; F86-I99 HydrophobicContact CD1-CG1 3.78Å; F86-I99 HydrophobicContact CD1-CG2 4.14Å; F86-I99 HydrophobicContact CE1-CB 4.34Å; F86-I99 HydrophobicContact CE1-CD1 3.78Å; F86-I99 HydrophobicContact CE1-CG1 3.7Å; F86-I99 HydrophobicContact CE1-CG2 3.82Å; F86-I99 HydrophobicContact CZ-CG2 4.22Å; I99-V102 HydrophobicContact CB-CG2 4.2Å; I99-V102 HydrophobicContact CG2-CG2 3.95Å; I99-Y110 HydrophobicContact CD1-CE1 4.05Å; I99-Y110 HydrophobicContact CD1-CE2 4.07Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.48Å |
| 100 | S | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 52 Ų | 52 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -90.8 | 151.3 | 169.3 | 63.3 | 0 | 0 | 0 | 0 | 109.5 | R85 V102 | R85-S100 VanDerWaalsContact CA-OG 3.31Å; R85-S100 WeakPolarHBondContact CA-OG 3.41Å; R85-S100 VanDerWaalsContact CB-O 3.23Å; R85-S100 WeakPolarHBondContact CB-O 3.39Å; R85-S100 WeakPolarHBondContact CG-O 3.14Å; R85-S100 PolarHBondContact O-N 3.03Å; R85-S100 PolarHBondContact O-OG 3.11Å; S100-V102 PolarHBondContact O-N 3.35Å |
| 101 | R | 98 | Very high | 97.3 | Very high | 137 Ų | 137 | 54.9 Ų | 54.9 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 47.4 | 59.7 | 177.6 | -58.1 | -178.4 | -64.1 | -84.5 | 0.8 | 112.3 | E36 D84 E103 | E36-R101 WeakPolarHBondContact O-CA 3.3Å; E36-R101 PolarHBondContact O-N 3.37Å; D84-R101 IonicContact OD1-NH2 3.43Å; R101-E103 PolarHBondContact O-N 2.84Å |
| 102 | V | 98.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | trans | -51.1 | 138.1 | -178.5 | 170.9 | 0 | 0 | 0 | 0 | 111 | A32 P34 G35 E36 V38 I99 S100 D106 | A32-V102 HydrophobicContact CB-CB 4.38Å; A32-V102 HydrophobicContact CB-CG1 4Å; A32-V102 HydrophobicContact CB-CG2 4.13Å; P34-V102 CarbonylContact C-O 3.58Å; P34-V102 VanDerWaalsContact CA-O 3.24Å; P34-V102 WeakPolarHBondContact CA-O 3.24Å; G35-V102 PolarHBondContact N-O 2.95Å; E36-V102 PolarHBondContact O-N 2.92Å; V38-V102 HydrophobicContact CG2-CG2 3.83Å; I99-V102 HydrophobicContact CB-CG2 4.2Å; I99-V102 HydrophobicContact CG2-CG2 3.95Å; S100-V102 PolarHBondContact O-N 3.35Å; V102-D106 HydrophobicContact CG1-CB 4.36Å | ||
| 103 | E | 98 | Very high | 97.4 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | trans | -118.5 | 163.4 | 177.2 | -70.4 | 171.6 | -155.4 | 0 | 0 | 111.2 | R85 R101 E105 D106 | R85-E103 VanDerWaalsContact CZ-CD 3.47Å; R85-E103 IonicContact CZ-OE1 3.61Å; R85-E103 IonicContact CZ-OE2 3.64Å; R85-E103 IonicContact NE-OE1 2.9Å; R85-E103 IonicContact NH1-OE1 2.88Å; R85-E103 PolarHBondContact NH1-OE1 3.24Å; R85-E103 IonicContact NH1-OE2 2.85Å; R85-E103 PolarHBondContact NH1-OE2 2.9Å; R85-E103 IonicContact NH2-OE2 3.32Å; R101-E103 PolarHBondContact O-N 2.84Å; E103-E105 HydrophobicContact CB-CG 3.93Å; E103-E105 PolarHBondContact O-N 2.92Å; E103-D106 PolarHBondContact N-OD2 2.88Å; E103-D106 WeakPolarHBondContact O-CB 3.31Å; E103-D106 PolarHBondContact O-N 3.19Å | ||
| 104 | A | 95.8 | Very high | 97.4 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D106 V107 | A104-D106 VanDerWaalsContact C-N 3.26Å; A104-D106 PolarHBondContact O-N 3.44Å; A104-V107 WeakPolarHBondContact O-CG2 3.29Å |
| 105 | E | 95.5 | Very high | 97.2 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -76.1 | -8.4 | 177.4 | 60.9 | -177.3 | -135 | 0 | 0 | 114.6 | R63 R85 E103 | R63-E105 PolarHBondContact NE-O 3.21Å; R63-E105 VanDerWaalsContact NE-O 3.08Å; R85-E105 IonicContact CZ-OE1 3.97Å; R85-E105 IonicContact NH1-OE1 3.28Å; R85-E105 IonicContact NH2-OE1 3.9Å; R85-E105 PolarHBondContact NH2-OE1 2.85Å; E103-E105 HydrophobicContact CB-CG 3.93Å; E103-E105 PolarHBondContact O-N 2.92Å |
| 106 | D | 96.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -84 | -1.3 | 177.6 | -59 | -26.1 | 0 | 0 | 0 | 111.9 | R85 F86 V102 E103 A104 G108 Y110 | R85-D106 IonicContact CZ-OD1 3.92Å; R85-D106 IonicContact CZ-OD2 2.93Å; R85-D106 IonicContact NE-OD1 2.75Å; R85-D106 PolarHBondContact NE-OD1 3.43Å; R85-D106 IonicContact NE-OD2 2.91Å; R85-D106 PolarHBondContact NE-OD2 2.83Å; R85-D106 IonicContact NH2-OD1 3.63Å; R85-D106 PolarHBondContact NH2-OD1 3.06Å; R85-D106 IonicContact NH2-OD2 3.57Å; F86-D106 VanDerWaalsContact CZ-OD1 3.26Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.48Å; V102-D106 HydrophobicContact CG1-CB 4.36Å; E103-D106 PolarHBondContact N-OD2 2.88Å; E103-D106 WeakPolarHBondContact O-CB 3.31Å; E103-D106 PolarHBondContact O-N 3.19Å; A104-D106 VanDerWaalsContact C-N 3.26Å; A104-D106 PolarHBondContact O-N 3.44Å; D106-G108 PolarHBondContact O-N 3.33Å; D106-Y110 PolarHBondContact O-OH 2.65Å |
| 107 | V | 96.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | trans | -67.5 | 115 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | P64 A104 | P64-V107 WeakPolarHBondContact CD-O 3.48Å; A104-V107 WeakPolarHBondContact O-CG2 3.29Å | ||
| 108 | G | 96.5 | Very high | 95.3 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 177.5 | -174.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q62 D106 | Q62-G108 CarbonylContact O-C 3.55Å; Q62-G108 VanDerWaalsContact O-CA 3.26Å; Q62-G108 WeakPolarHBondContact O-CA 3.44Å; D106-G108 PolarHBondContact O-N 3.33Å |
| 109 | V | 96.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 66.3 Ų | 66.3 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.6 | 174 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | Q62 Y111 | Q62-V109 PolarHBondContact N-O 2.75Å; Q62-V109 PolarHBondContact O-N 2.83Å; V109-Y111 HydrophobicContact CB-CE2 3.91Å; V109-Y111 HydrophobicContact CG1-CD1 4.39Å; V109-Y111 HydrophobicContact CG1-CD2 4.42Å; V109-Y111 HydrophobicContact CG1-CE1 3.7Å; V109-Y111 HydrophobicContact CG1-CE2 3.73Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.4Å |
| 110 | Y | 97.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 69.4 Ų | 69.4 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.8 | 178.1 | -68.6 | -94.1 | 0 | 0 | 0 | 110.1 | Q25 I40 F60 L61 L71 F86 L97 I99 D106 | Q25-Y110 PolarHBondContact NE2-O 3.05Å; I40-Y110 HydrophobicContact CD1-CD1 4.5Å; I40-Y110 HydrophobicContact CD1-CD2 3.76Å; I40-Y110 HydrophobicContact CD1-CE2 4.42Å; I40-Y110 HydrophobicContact CD1-CG 3.79Å; F60-Y110 CarbonylContact O-C 3.56Å; F60-Y110 VanDerWaalsContact O-CA 3.3Å; F60-Y110 WeakPolarHBondContact O-CA 3.48Å; L61-Y110 HydrophobicContact CB-CD1 4.21Å; L61-Y110 HydrophobicContact CB-CE1 3.98Å; L61-Y110 HydrophobicContact CD1-CD1 4.11Å; L61-Y110 HydrophobicContact CD1-CD2 4.14Å; L61-Y110 HydrophobicContact CD1-CE1 3.71Å; L61-Y110 HydrophobicContact CD1-CE2 3.73Å; L61-Y110 HydrophobicContact CD1-CG 4.32Å; L61-Y110 HydrophobicContact CD2-CE1 4.14Å; L61-Y110 HydrophobicContact CG-CE1 4.15Å; L71-Y110 HydrophobicContact CD2-CD1 4.09Å; L71-Y110 HydrophobicContact CD2-CE1 3.85Å; F86-Y110 HydrophobicContact CE1-CE1 4.02Å; L97-Y110 HydrophobicContact CD2-CD1 3.33Å; L97-Y110 HydrophobicContact CD2-CE1 3.83Å; L97-Y110 HydrophobicContact CD2-CG 4.03Å; I99-Y110 HydrophobicContact CD1-CE1 4.05Å; I99-Y110 HydrophobicContact CD1-CE2 4.07Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.48Å; D106-Y110 PolarHBondContact O-OH 2.65Å |
| 111 | Y | 97 | Very high | 93.2 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 37% | 0.373 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132 | 179.7 | -56.8 | -80 | 0 | 0 | 0 | 110.1 | W59 F60 Q62 V109 | W59-Y111 CarbonylContact C-O 3.54Å; W59-Y111 WeakPolarHBondContact CA-O 3.33Å; F60-Y111 PolarHBondContact N-O 3.35Å; F60-Y111 PolarHBondContact O-N 3.03Å; Q62-Y111 HydrophobicContact CB-CE2 3.85Å; Q62-Y111 PolarHBondContact OE1-OH 3.24Å; V109-Y111 HydrophobicContact CB-CE2 3.91Å; V109-Y111 HydrophobicContact CG1-CD1 4.39Å; V109-Y111 HydrophobicContact CG1-CD2 4.42Å; V109-Y111 HydrophobicContact CG1-CE1 3.7Å; V109-Y111 HydrophobicContact CG1-CE2 3.73Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.4Å |
| 112 | C | 97.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139.4 | 161.9 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | Q25 C42 L57 Y58 W59 | Q25-C112 PolarHBondContact OE1-SG 3.34Å; Q25-C112 VanDerWaalsContact OE1-SG 3.34Å; C42-C112 HydrophobicContact CB-CB 3.51Å; C42-C112 WeakPolarHBondContact CB-SG 3.17Å; C42-C112 WeakPolarHBondContact SG-CB 3.44Å; C42-C112 CovalentContact SG-SG 2.01Å; C42-C112 PolarHBondContact SG-SG 3.18Å; L57-C112 HydrophobicContact CD1-CB 4.29Å; Y58-C112 CarbonylContact O-C 3.59Å; Y58-C112 WeakPolarHBondContact O-CA 3.38Å; W59-C112 HydrophobicContact CD2-CB 4.21Å; W59-C112 HydrophobicContact CE3-CB 3.94Å; W59-C112 HydrophobicContact CH2-CB 3.93Å; W59-C112 HydrophobicContact CZ2-CB 4.16Å; W59-C112 HydrophobicContact CZ3-CB 3.81Å |
| 113 | M | 96.7 | Very high | 92.6 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 44% | 0.438 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142.3 | 180 | 179.1 | -177.8 | 170.7 | 0 | 0 | 109.9 | Y58 F60 | Y58-M113 PolarHBondContact N-O 2.92Å; Y58-M113 PolarHBondContact O-N 3.1Å; F60-M113 HydrophobicContact CD2-CB 4.32Å; F60-M113 HydrophobicContact CE2-CB 4Å; F60-M113 HydrophobicContact CE2-SD 4.05Å |
| 114 | Q | 96.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 145.2 | 169 | 67 | 83.4 | 23.1 | 0 | 0 | 110.7 | I21 M23 L48 Y56 E117 | I21-Q114 HydrophobicContact CB-CG 3.92Å; I21-Q114 HydrophobicContact CD1-CG 4.44Å; I21-Q114 HydrophobicContact CG2-CB 4.26Å; I21-Q114 HydrophobicContact CG2-CG 3.71Å; M23-Q114 HydrophobicContact CG-CG 4.3Å; M23-Q114 HydrophobicContact SD-CB 3.74Å; M23-Q114 HydrophobicContact SD-CG 3.89Å; L48-Q114 HydrophobicContact CD1-CB 3.88Å; L48-Q114 HydrophobicContact CD2-CB 3.61Å; L48-Q114 HydrophobicContact CD2-CG 4.47Å; L48-Q114 HydrophobicContact CG-CB 4.41Å; Y56-Q114 WeakPolarHBondContact O-CA 3.49Å; Q114-E117 PolarHBondContact NE2-O 3.36Å |
| 115 | G | 94.8 | Very high | 92 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | trans | -118.5 | 22.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y56 | Y56-G115 PolarHBondContact O-N 3.5Š| ||
| 116 | L | 92.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -87.2 | -48.2 | 177.7 | -72.1 | -171.3 | 0 | 0 | 0 | 113 | I21 L48 H50 Y56 | I21-L116 HydrophobicContact CD1-CB 4Å; I21-L116 HydrophobicContact CD1-CD1 4.25Å; L48-L116 HydrophobicContact CB-CD1 4.42Å; L48-L116 HydrophobicContact CD2-CD1 4.31Å; H50-L116 HydrophobicContact CB-CD2 3.84Å; Y56-L116 HydrophobicContact CD2-CD2 3.48Å; Y56-L116 VanDerWaalsContact CD2-CD2 3.48Å; Y56-L116 HydrophobicContact CE2-CD2 4.26Å; Y56-L116 HydrophobicContact CG-CD2 3.79Å |
| 117 | E | 85.8 | Confident | 91.4 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | trans | -112.4 | 126.5 | -175.5 | -67.9 | 176.4 | -172.2 | 0 | 0 | 108.9 | G19 I21 K46 Q114 | G19-E117 VanDerWaalsContact O-OE2 3.13Å; I21-E117 HydrophobicContact CD1-CB 4.18Å; I21-E117 HydrophobicContact CD1-CG 3.74Å; I21-E117 HydrophobicContact CG1-CG 4.31Å; I21-E117 WeakPolarHBondContact CG1-OE2 3.37Å; I21-E117 PolarHBondContact N-OE2 2.86Å; I21-E117 VanDerWaalsContact N-OE2 3.09Å; K46-E117 IonicContact NZ-OE1 3.34Å; K46-E117 PolarHBondContact NZ-OE1 3.36Å; K46-E117 IonicContact NZ-OE2 3.53Å; Q114-E117 PolarHBondContact NE2-O 3.36Å | ||
| 118 | Y | 77.2 | Confident | 91 | Very high | 172 Ų | 172 | 69.5 Ų | 69.5 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | trans | -106.2 | 145.7 | 171.3 | -61.8 | -87.4 | 0 | 0 | 0 | 108.4 | ||||
| 119 | P | 63.4 | Low | 90.5 | Very high | 197 Ų | 197 | 73.2 Ų | 73.2 | 100% | 1.279 | 38% | 0.375 | S | S | * | . | trans | -58 | 0 | 173.3 | -18.7 | 30.7 | 0 | 0 | 0 | 113.1 |
Retrieved 119 of 119 residues in 145 ms
(Link to these results)