| 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 | 40 | Very low | 50.8 | Low | 245 Ų | 245 | 111 Ų | 111 | 100% | 1.207 | 66% | 0.66 | S | S | * | * | 0 | 76.3 | 0 | -65.6 | 158.2 | 72.8 | 0 | 0 | 108.7 | |||||
| 2 | S | 36.2 | Very low | 51.5 | Low | 120 Ų | 120 | 109.1 Ų | 109.1 | 84% | 0.839 | 65% | 0.65 | S | S | * | * | trans | -130.9 | 26.6 | -164.1 | -164.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | I | 46.4 | Very low | 52 | Low | 127 Ų | 127 | 109.2 Ų | 109.2 | 65% | 0.651 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -130.8 | -12 | -170.1 | -57.8 | 177.6 | 0 | 0 | 0 | 111.9 | F7 | I3-F7 HydrophobicContact CG2-CE2 4.43Š|
| 4 | G | 51.1 | Low | 52.3 | Low | 58 Ų | 58 | 109.5 Ų | 109.5 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -85 | -17.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 5 | A | 50.3 | Low | 52.8 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 74% | 0.744 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -83.5 | -33.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 6 | S | 51.2 | Low | 52.8 | Low | 72 Ų | 72 | 113.5 Ų | 113.5 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -77.7 | -19.6 | -176.9 | 45.2 | 0 | 0 | 0 | 0 | 114.3 | T10 | S6-T10 PolarHBondContact O-OG1 2.98Å |
| 7 | F | 53.4 | Low | 53 | Low | 148 Ų | 148 | 113.5 Ų | 113.5 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -81.7 | -15.1 | -180 | -87 | -85.2 | 0 | 0 | 0 | 114.5 | I3 T10 | I3-F7 HydrophobicContact CG2-CE2 4.43Å; F7-T10 WeakPolarHBondContact CA-OG1 3.22Å; F7-T10 PolarHBondContact O-OG1 3.47Å |
| 8 | L | 56.1 | Low | 52.9 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -92.1 | -38.7 | -179.3 | -79 | 166.3 | 0 | 0 | 0 | 113.2 | L11 V12 | L8-L11 PolarHBondContact O-N 3.06Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.31Å |
| 9 | S | 56.3 | Low | 52.4 | Low | 69 Ų | 69 | 116 Ų | 116 | 48% | 0.483 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 112 | L11 V12 I13 | S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.88Å; S9-V12 PolarHBondContact O-N 2.97Å; S9-I13 WeakPolarHBondContact O-CG1 3.46Å; S9-I13 PolarHBondContact O-N 3.32Å; S9-I13 VanDerWaalsContact O-N 3.09Å |
| 10 | T | 58.7 | Low | 52.2 | Low | 69 Ų | 69 | 115.8 Ų | 115.8 | 42% | 0.423 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.7 | -35.9 | 175.6 | 42.5 | 0 | 0 | 0 | 0 | 112.8 | S6 F7 L14 | S6-T10 PolarHBondContact O-OG1 2.98Å; F7-T10 WeakPolarHBondContact CA-OG1 3.22Å; F7-T10 PolarHBondContact O-OG1 3.47Å; T10-L14 WeakPolarHBondContact O-CD1 3.32Å; T10-L14 PolarHBondContact O-N 3.16Å; T10-L14 VanDerWaalsContact O-N 3.13Å |
| 11 | L | 58.8 | Low | 52 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 53% | 0.529 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.9 | -39.2 | 176.2 | -163.7 | 74.4 | 0 | 0 | 0 | 112.6 | L8 S9 L14 I15 | L8-L11 PolarHBondContact O-N 3.06Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-I15 PolarHBondContact O-N 3.46Å |
| 12 | V | 60.1 | Low | 52.7 | Low | 88 Ų | 88 | 110 Ų | 110 | 53% | 0.533 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.7 | -39.5 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | L8 S9 L14 I15 F16 | L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.31Å; S9-V12 PolarHBondContact O-N 2.97Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 3.27Å; V12-I15 PolarHBondContact O-N 3.27Å; V12-F16 HydrophobicContact CG1-CD2 4.49Å; V12-F16 PolarHBondContact O-N 3.03Å |
| 13 | I | 58 | Low | 54.2 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 57% | 0.569 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.5 | -41 | 174.2 | -68.3 | 164.8 | 0 | 0 | 0 | 110.9 | S9 I15 F16 V17 | S9-I13 WeakPolarHBondContact O-CG1 3.46Å; S9-I13 PolarHBondContact O-N 3.32Å; S9-I13 VanDerWaalsContact O-N 3.09Å; I13-I15 VanDerWaalsContact C-N 3.25Å; I13-I15 PolarHBondContact O-N 3.21Å; I13-F16 PolarHBondContact O-N 3.06Å; I13-V17 WeakPolarHBondContact O-CG2 3.1Å |
| 14 | L | 56.3 | Low | 55.6 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.1 | -28.2 | 177.3 | -108.2 | 90.3 | 0 | 0 | 0 | 114.2 | T10 L11 V12 | T10-L14 WeakPolarHBondContact O-CD1 3.32Å; T10-L14 PolarHBondContact O-N 3.16Å; T10-L14 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.01Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 3.27Å |
| 15 | I | 58.7 | Low | 57.1 | Low | 111 Ų | 111 | 110.7 Ų | 110.7 | 57% | 0.569 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78.5 | -34.7 | -177.3 | -68.3 | 169 | 0 | 0 | 0 | 111.6 | L11 V12 I13 V17 | L11-I15 PolarHBondContact O-N 3.46Å; V12-I15 PolarHBondContact O-N 3.27Å; I13-I15 VanDerWaalsContact C-N 3.25Å; I13-I15 PolarHBondContact O-N 3.21Å; I15-V17 VanDerWaalsContact C-N 3.3Å; I15-V17 PolarHBondContact O-N 3.43Å |
| 16 | F | 53.7 | Low | 58.9 | Low | 172 Ų | 172 | 108 Ų | 108 | 75% | 0.754 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.9 | -18.2 | 176.5 | -87.3 | -84.6 | 0 | 0 | 0 | 114 | V12 I13 L18 | V12-F16 HydrophobicContact CG1-CD2 4.49Å; V12-F16 PolarHBondContact O-N 3.03Å; I13-F16 PolarHBondContact O-N 3.06Å; F16-L18 PolarHBondContact O-N 3.35Å |
| 17 | V | 55 | Low | 60.5 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -5.8 | -179.3 | 169.4 | 0 | 0 | 0 | 0 | 113.3 | I13 I15 | I13-V17 WeakPolarHBondContact O-CG2 3.1Å; I15-V17 VanDerWaalsContact C-N 3.3Å; I15-V17 PolarHBondContact O-N 3.43Å |
| 18 | L | 51.5 | Low | 62.1 | Low | 140 Ų | 140 | 106 Ų | 106 | 73% | 0.733 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 16.3 | -169.5 | -66.4 | 174.9 | 0 | 0 | 0 | 115.6 | F16 | F16-L18 PolarHBondContact O-N 3.35Š|
| 19 | I | 44.6 | Very low | 63.7 | Low | 135 Ų | 135 | 103.2 Ų | 103.2 | 69% | 0.692 | 55% | 0.553 | S | S | * | * | trans | -129.1 | 103 | 174.9 | -54 | 179.3 | 0 | 0 | 0 | 110.2 | S21 | I19-S21 PolarHBondContact O-N 2.67Š| ||
| 20 | P | 47.3 | Very low | 65.3 | Low | 112 Ų | 112 | 100 Ų | 100 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | trans | -79.6 | 95.7 | 172.2 | 31.2 | -32.1 | 0 | 0 | 0 | 110.5 | H22 | P20-H22 PolarHBondContact O-N 2.9Š| ||
| 21 | S | 48.9 | Very low | 66.8 | Low | 101 Ų | 101 | 101.6 Ų | 101.6 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -77.8 | 105 | 165.1 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | I19 E23 | I19-S21 PolarHBondContact O-N 2.67Å; S21-E23 VanDerWaalsContact C-N 3.28Å; S21-E23 PolarHBondContact O-N 3.19Å | ||
| 22 | H | 54.8 | Low | 68.3 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | trans | -71.4 | 83.3 | 171.5 | -82.3 | -92.1 | 0 | 0 | 0 | 110.6 | P20 | P20-H22 PolarHBondContact O-N 2.9Š| ||
| 23 | E | 66.9 | Low | 69.6 | Low | 160 Ų | 160 | 98.6 Ų | 98.6 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | trans | -79.4 | 167.3 | 161.6 | -163.5 | 159.2 | -175 | 0 | 0 | 109.7 | S21 G49 | S21-E23 VanDerWaalsContact C-N 3.28Å; S21-E23 PolarHBondContact O-N 3.19Å; E23-G49 VanDerWaalsContact O-CA 3.28Å; E23-G49 WeakPolarHBondContact O-CA 3.44Å | ||
| 24 | V | 75.1 | Confident | 71 | Confident | 19 Ų | 19 | 97.1 Ų | 97.1 | 12% | 0.115 | 51% | 0.508 | C | S | . | . | trans | -90.3 | 127.1 | 174.7 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | V48 I53 A97 D99 I104 | V24-V48 WeakPolarHBondContact CA-O 3.46Å; V24-I53 HydrophobicContact CG1-CD1 3.89Å; V24-I53 HydrophobicContact CG1-CG1 4.25Å; V24-I53 HydrophobicContact CG2-CD1 4.17Å; V24-I53 HydrophobicContact CG2-CG1 4.27Å; V24-A97 HydrophobicContact CG1-CB 4.11Å; V24-D99 HydrophobicContact CG2-CB 4.16Å; V24-I104 HydrophobicContact CB-CD1 4.37Å; V24-I104 HydrophobicContact CG1-CD1 3.84Å; V24-I104 HydrophobicContact CG1-CG1 4.01Å; V24-I104 WeakPolarHBondContact O-CD1 3.04Å | ||
| 25 | E | 84.1 | Confident | 72.4 | Confident | 141 Ų | 141 | 91.7 Ų | 91.7 | 66% | 0.659 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.3 | -178.3 | -174.5 | 172.5 | -159.4 | 0 | 0 | 110.8 | A47 V48 | E25-A47 CarbonylContact O-C 3.47Å; E25-A47 WeakPolarHBondContact O-CA 3.45Å; E25-A47 WeakPolarHBondContact O-CB 3.07Å; E25-V48 PolarHBondContact N-O 2.89Å; E25-V48 PolarHBondContact O-N 3.42Å |
| 26 | F | 87.4 | Confident | 73.6 | Confident | 32 Ų | 32 | 89.4 Ų | 89.4 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.2 | 170.6 | -68.7 | -72.8 | 0 | 0 | 0 | 110.5 | E29 C45 S46 A47 A97 I104 S106 | F26-E29 HydrophobicContact CB-CG 3.78Å; F26-E29 HydrophobicContact CD2-CG 4.49Å; F26-E29 HydrophobicContact CG-CG 4.15Å; F26-C45 VanDerWaalsContact CE1-SG 3.53Å; F26-S46 CarbonylContact C-O 3.54Å; F26-S46 WeakPolarHBondContact CA-O 3.2Å; F26-A47 HydrophobicContact CD1-CB 4Å; F26-A47 HydrophobicContact CE1-CB 4.4Å; F26-A97 HydrophobicContact CD1-CB 4.41Å; F26-A97 HydrophobicContact CE1-CB 3.62Å; F26-A97 HydrophobicContact CZ-CB 3.84Å; F26-I104 HydrophobicContact CD2-CD1 3.48Å; F26-I104 VanDerWaalsContact CD2-CD1 3.48Å; F26-I104 HydrophobicContact CD2-CG1 4.14Å; F26-I104 HydrophobicContact CE2-CB 4.09Å; F26-I104 HydrophobicContact CE2-CD1 3.39Å; F26-I104 HydrophobicContact CE2-CG1 3.5Å; F26-I104 VanDerWaalsContact CE2-CG1 3.5Å; F26-I104 HydrophobicContact CG-CD1 4.15Å; F26-I104 HydrophobicContact CZ-CD1 4.02Å; F26-I104 HydrophobicContact CZ-CG1 3.83Å; F26-S106 VanDerWaalsContact CE2-N 3.31Å |
| 27 | V | 85 | Confident | 75.1 | Confident | 96 Ų | 96 | 86.3 Ų | 86.3 | 58% | 0.582 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -47.7 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | S46 V48 | V27-S46 WeakPolarHBondContact CB-OG 3.46Å; V27-S46 PolarHBondContact N-O 3.26Å; V27-V48 HydrophobicContact CG2-CB 4.39Å; V27-V48 HydrophobicContact CG2-CG2 3.58Å |
| 28 | D | 86.2 | Confident | 76.5 | Confident | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.7 | 168 | -57.6 | -76.2 | 0 | 0 | 0 | 109.8 | C45 S46 | D28-C45 CarbonylContact O-C 3.59Å; D28-C45 WeakPolarHBondContact O-CA 3.47Å; D28-S46 VanDerWaalsContact CB-OG 3.26Å; D28-S46 WeakPolarHBondContact CB-OG 3.4Å; D28-S46 VanDerWaalsContact CG-OG 3.31Å; D28-S46 PolarHBondContact N-O 3.03Å; D28-S46 PolarHBondContact N-OG 3.25Å; D28-S46 PolarHBondContact O-N 2.84Å; D28-S46 PolarHBondContact OD2-OG 2.74Å |
| 29 | E | 90.2 | Very high | 78.1 | Confident | 63 Ų | 63 | 83.5 Ų | 83.5 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | trans | -113.2 | 147.6 | 169.5 | -63.3 | -175.9 | 108.9 | 0 | 0 | 110.7 | F26 S106 K107 | F26-E29 HydrophobicContact CB-CG 3.78Å; F26-E29 HydrophobicContact CD2-CG 4.49Å; F26-E29 HydrophobicContact CG-CG 4.15Å; E29-S106 VanDerWaalsContact OE1-CA 3.31Å; E29-S106 WeakPolarHBondContact OE1-CA 3.42Å; E29-K107 HydrophobicContact CB-CD 4.02Å; E29-K107 HydrophobicContact CB-CG 3.96Å; E29-K107 PolarHBondContact O-NZ 3.43Å; E29-K107 PolarHBondContact OE1-N 2.9Å; E29-K107 VanDerWaalsContact OE2-CD 3.28Å; E29-K107 WeakPolarHBondContact OE2-CD 3.43Å; E29-K107 IonicContact OE2-NZ 3.97Å | ||
| 30 | P | 90.5 | Very high | 80.1 | Confident | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.019 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -63 | 138.2 | -177.4 | 27.8 | -36.5 | 0 | 0 | 0 | 111.9 | L43 V44 W57 K107 A109 | P30-L43 HydrophobicContact CB-CD2 4.5Å; P30-V44 VanDerWaalsContact CA-O 3.29Å; P30-V44 WeakPolarHBondContact CA-O 3.43Å; P30-W57 HydrophobicContact CB-CH2 3.9Å; P30-W57 HydrophobicContact CB-CZ3 3.87Å; P30-W57 HydrophobicContact CG-CH2 4.17Å; P30-W57 HydrophobicContact CG-CZ3 3.92Å; P30-K107 WeakPolarHBondContact O-CE 3.25Å; P30-A109 HydrophobicContact CB-CB 3.68Å; P30-A109 HydrophobicContact CG-CB 4.1Å |
| 31 | N | 90.6 | Very high | 82 | Confident | 102 Ų | 102 | 79 Ų | 79 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 153.9 | -179.5 | -64.5 | -42.4 | 0 | 0 | 0 | 111.6 | T33 K107 A109 | N31-T33 PolarHBondContact O-N 2.67Å; N31-T33 PolarHBondContact O-OG1 2.74Å; N31-K107 VanDerWaalsContact OD1-CE 3.3Å; N31-K107 WeakPolarHBondContact OD1-CE 3.4Å; N31-K107 PolarHBondContact OD1-NZ 3.49Å; N31-A109 WeakPolarHBondContact O-CB 3.34Å |
| 32 | D | 89 | Confident | 84 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -49 | 124.1 | 168.6 | -70.8 | -26.4 | 0 | 0 | 0 | 110.1 | Y34 S110 | D32-Y34 HydrophobicContact CB-CE2 4.33Å; D32-S110 WeakPolarHBondContact CA-O 3.35Å; D32-S110 WeakPolarHBondContact OD1-CA 3.46Å; D32-S110 WeakPolarHBondContact OD1-CB 3.34Å; D32-S110 PolarHBondContact OD1-N 2.85Å; D32-S110 PolarHBondContact OD1-OG 2.88Å |
| 33 | T | 87.8 | Confident | 85.7 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.8 | -170.5 | -56.9 | 0 | 0 | 0 | 0 | 111 | N31 I41 S110 V111 R112 | N31-T33 PolarHBondContact O-N 2.67Å; N31-T33 PolarHBondContact O-OG1 2.74Å; T33-I41 HydrophobicContact CG2-CD1 4.23Å; T33-I41 HydrophobicContact CG2-CG2 3.83Å; T33-S110 PolarHBondContact N-O 2.81Å; T33-V111 WeakPolarHBondContact O-CA 3.41Å; T33-R112 PolarHBondContact O-N 2.78Å |
| 34 | Y | 88 | Confident | 86.8 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.7 | -175.1 | -54.6 | -92 | 0 | 0 | 0 | 110.1 | D32 R112 S114 L145 P146 | D32-Y34 HydrophobicContact CB-CE2 4.33Å; Y34-R112 HydrophobicContact CD1-CB 4.03Å; Y34-R112 HydrophobicContact CE1-CB 4.23Å; Y34-S114 VanDerWaalsContact CB-OG 3.3Å; Y34-S114 WeakPolarHBondContact CB-OG 3.3Å; Y34-L145 HydrophobicContact CE1-CD2 4.26Å; Y34-P146 HydrophobicContact CD1-CB 4.43Å; Y34-P146 HydrophobicContact CD2-CB 4.02Å; Y34-P146 HydrophobicContact CD2-CG 4.25Å; Y34-P146 HydrophobicContact CE1-CB 4.48Å; Y34-P146 HydrophobicContact CE2-CB 4.06Å; Y34-P146 HydrophobicContact CG-CB 4.22Å; Y34-P146 HydrophobicContact CG-CG 4.21Å |
| 35 | G | 84.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 168.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | R112 S114 | G35-R112 PolarHBondContact N-O 3.42Å; G35-S114 PolarHBondContact N-OG 2.81Å; G35-S114 VanDerWaalsContact N-OG 3.09Å; G35-S114 WeakPolarHBondContact O-CB 3.24Å; G35-S114 PolarHBondContact O-N 2.98Å; G35-S114 PolarHBondContact O-OG 2.93Å |
| 36 | L | 84.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | trans | -68.5 | 153.1 | 166.9 | -72.3 | 173.3 | 0 | 0 | 0 | 110.2 | N38 Q39 F193 A194 Y195 | L36-N38 PolarHBondContact O-N 2.67Å; L36-Q39 HydrophobicContact CB-CB 4.12Å; L36-Q39 WeakPolarHBondContact O-CB 3.35Å; L36-Q39 PolarHBondContact O-N 3.07Å; L36-F193 HydrophobicContact CB-CZ 4.39Å; L36-F193 HydrophobicContact CD2-CE1 4.41Å; L36-F193 HydrophobicContact CD2-CZ 3.73Å; L36-F193 HydrophobicContact CG-CE2 4.02Å; L36-F193 HydrophobicContact CG-CZ 3.62Å; L36-A194 HydrophobicContact CD1-CB 4.02Å; L36-A194 HydrophobicContact CD2-CB 3.83Å; L36-A194 HydrophobicContact CG-CB 3.95Å; L36-Y195 HydrophobicContact CD2-CE2 4.01Å; L36-Y195 WeakPolarHBondContact CD2-OH 3.13Å | ||
| 37 | E | 84.2 | Confident | 87.8 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.1 | 164.3 | -166.3 | 178.8 | -136.9 | 0 | 0 | 109.8 | Q39 I113 | E37-Q39 VanDerWaalsContact C-N 3.27Å; E37-Q39 PolarHBondContact O-N 3.21Å; E37-I113 HydrophobicContact CB-CD1 4.44Å; E37-I113 HydrophobicContact CB-CG2 4.45Å; E37-I113 HydrophobicContact CG-CD1 4.32Å |
| 38 | N | 85.3 | Confident | 87.8 | Confident | 114 Ų | 114 | 55.1 Ų | 55.1 | 61% | 0.61 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 9.5 | -169.2 | -50.4 | -79.9 | 0 | 0 | 0 | 116 | L36 T84 L85 | L36-N38 PolarHBondContact O-N 2.67Å; N38-T84 HydrophobicContact CB-CG2 4.46Å; N38-L85 WeakPolarHBondContact CA-O 3.48Å; N38-L85 PolarHBondContact N-O 3.32Å |
| 39 | Q | 84.5 | Confident | 87.3 | Confident | 79 Ų | 79 | 52 Ų | 52 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | trans | -78.7 | 139.6 | 170.8 | -172.2 | 174.8 | -15.7 | 0 | 0 | 111.3 | L36 E37 I41 L85 | L36-Q39 HydrophobicContact CB-CB 4.12Å; L36-Q39 WeakPolarHBondContact O-CB 3.35Å; L36-Q39 PolarHBondContact O-N 3.07Å; E37-Q39 VanDerWaalsContact C-N 3.27Å; E37-Q39 PolarHBondContact O-N 3.21Å; Q39-I41 PolarHBondContact O-N 2.89Å; Q39-L85 PolarHBondContact O-N 2.78Å | ||
| 40 | Q | 87.6 | Confident | 86.3 | Confident | 145 Ų | 145 | 50.3 Ų | 50.3 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.7 | 169.2 | -171 | 175.9 | 5.6 | 0 | 0 | 110.1 | F83 | Q40-F83 WeakPolarHBondContact CA-O 3.43Å |
| 41 | I | 87.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.9 | 174.2 | -70.3 | -174.4 | 0 | 0 | 0 | 108.8 | T33 Q39 G82 F83 L85 V111 | T33-I41 HydrophobicContact CG2-CD1 4.23Å; T33-I41 HydrophobicContact CG2-CG2 3.83Å; Q39-I41 PolarHBondContact O-N 2.89Å; I41-G82 CarbonylContact O-C 3.56Å; I41-G82 VanDerWaalsContact O-CA 3.32Å; I41-G82 WeakPolarHBondContact O-CA 3.41Å; I41-F83 HydrophobicContact CG2-CE1 4.29Å; I41-F83 HydrophobicContact CG2-CZ 4.32Å; I41-F83 PolarHBondContact N-O 3.22Å; I41-F83 PolarHBondContact O-N 3.13Å; I41-F83 VanDerWaalsContact O-O 3.11Å; I41-L85 HydrophobicContact CD1-CB 3.84Å; I41-L85 HydrophobicContact CD1-CD2 3.58Å; I41-L85 HydrophobicContact CD1-CG 4.2Å; I41-L85 HydrophobicContact CG1-CB 4.25Å; I41-V111 HydrophobicContact CD1-CG1 3.94Å |
| 42 | T | 89.6 | Confident | 84.5 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 113.3 | 173.3 | -56.9 | 0 | 0 | 0 | 0 | 109 | V44 Y81 | T42-V44 HydrophobicContact CG2-CG2 4.26Å; T42-Y81 WeakPolarHBondContact CA-O 3.32Å |
| 43 | L | 89.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 146.3 | 165.5 | -63.7 | 178.3 | 0 | 0 | 0 | 109.4 | P30 W57 S80 Y81 F83 Y93 A109 V111 | P30-L43 HydrophobicContact CB-CD2 4.5Å; L43-W57 HydrophobicContact CB-CE3 4.48Å; L43-W57 HydrophobicContact CB-CH2 3.54Å; L43-W57 HydrophobicContact CB-CZ2 4.32Å; L43-W57 HydrophobicContact CB-CZ3 3.64Å; L43-W57 HydrophobicContact CD1-CE3 4.49Å; L43-W57 HydrophobicContact CD1-CZ3 4.02Å; L43-W57 HydrophobicContact CG-CZ3 4.48Å; L43-S80 CarbonylContact O-C 3.52Å; L43-S80 VanDerWaalsContact O-CA 3.28Å; L43-S80 WeakPolarHBondContact O-CA 3.43Å; L43-Y81 PolarHBondContact N-O 2.92Å; L43-Y81 PolarHBondContact O-N 2.79Å; L43-F83 HydrophobicContact CD1-CE1 4.19Å; L43-F83 HydrophobicContact CG-CE1 4.21Å; L43-Y93 VanDerWaalsContact CD1-CB 3.43Å; L43-Y93 HydrophobicContact CD1-CD1 4.06Å; L43-Y93 HydrophobicContact CD1-CD2 4.08Å; L43-Y93 HydrophobicContact CD1-CG 3.6Å; L43-A109 HydrophobicContact CD2-CB 4.41Å; L43-V111 HydrophobicContact CD1-CG2 3.93Å; L43-V111 HydrophobicContact CD2-CG2 3.85Å; L43-V111 HydrophobicContact CG-CG2 4.22Å |
| 44 | V | 91.1 | Very high | 84 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.1 | -175.8 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | P30 T42 Y78 | P30-V44 VanDerWaalsContact CA-O 3.29Å; P30-V44 WeakPolarHBondContact CA-O 3.43Å; T42-V44 HydrophobicContact CG2-CG2 4.26Å; V44-Y78 HydrophobicContact CG1-CD2 4.29Å; V44-Y78 HydrophobicContact CG1-CE2 3.41Å; V44-Y78 VanDerWaalsContact CG1-CE2 3.41Å; V44-Y78 WeakPolarHBondContact CG2-OH 3.3Å |
| 45 | C | 90.6 | Very high | 84 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 132.1 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | F26 D28 I55 W57 S79 C95 | F26-C45 VanDerWaalsContact CE1-SG 3.53Å; D28-C45 CarbonylContact O-C 3.59Å; D28-C45 WeakPolarHBondContact O-CA 3.47Å; C45-I55 HydrophobicContact CB-CG2 4.37Å; C45-W57 HydrophobicContact CB-CH2 3.57Å; C45-W57 HydrophobicContact CB-CZ2 3.42Å; C45-W57 VanDerWaalsContact CB-CZ2 3.42Å; C45-S79 PolarHBondContact N-O 3.19Å; C45-S79 PolarHBondContact O-N 3.31Å; C45-S79 VanDerWaalsContact O-O 3.11Å; C45-C95 HydrophobicContact CB-CB 3.7Å; C45-C95 WeakPolarHBondContact CB-SG 3.16Å; C45-C95 WeakPolarHBondContact SG-CB 3.34Å; C45-C95 CovalentContact SG-SG 2.03Å; C45-C95 PolarHBondContact SG-SG 3.33Å |
| 46 | S | 89.7 | Confident | 84.1 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.2 | 178.3 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | F26 V27 D28 V77 | F26-S46 CarbonylContact C-O 3.54Å; F26-S46 WeakPolarHBondContact CA-O 3.2Å; V27-S46 WeakPolarHBondContact CB-OG 3.46Å; V27-S46 PolarHBondContact N-O 3.26Å; D28-S46 VanDerWaalsContact CB-OG 3.26Å; D28-S46 WeakPolarHBondContact CB-OG 3.4Å; D28-S46 VanDerWaalsContact CG-OG 3.31Å; D28-S46 PolarHBondContact N-O 3.03Å; D28-S46 PolarHBondContact N-OG 3.25Å; D28-S46 PolarHBondContact O-N 2.84Å; D28-S46 PolarHBondContact OD2-OG 2.74Å; S46-V77 CarbonylContact C-O 3.57Å; S46-V77 VanDerWaalsContact CA-O 3.26Å; S46-V77 WeakPolarHBondContact CA-O 3.46Å |
| 47 | A | 87.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E25 F26 I53 I55 V77 A97 | E25-A47 CarbonylContact O-C 3.47Å; E25-A47 WeakPolarHBondContact O-CA 3.45Å; E25-A47 WeakPolarHBondContact O-CB 3.07Å; F26-A47 HydrophobicContact CD1-CB 4Å; F26-A47 HydrophobicContact CE1-CB 4.4Å; A47-I53 HydrophobicContact CB-CG2 4.44Å; A47-I55 HydrophobicContact CB-CD1 3.89Å; A47-I55 HydrophobicContact CB-CG1 4.39Å; A47-V77 PolarHBondContact N-O 3.4Å; A47-V77 PolarHBondContact O-N 3.41Å; A47-A97 HydrophobicContact CB-CB 3.72Å |
| 48 | V | 85.7 | Confident | 84.4 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 153.5 | -176.8 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | V24 E25 V27 I53 D75 | V24-V48 WeakPolarHBondContact CA-O 3.46Å; E25-V48 PolarHBondContact N-O 2.89Å; E25-V48 PolarHBondContact O-N 3.42Å; V27-V48 HydrophobicContact CG2-CB 4.39Å; V27-V48 HydrophobicContact CG2-CG2 3.58Å; V48-I53 VanDerWaalsContact C-CD1 3.4Å; V48-I53 WeakPolarHBondContact O-CD1 3.38Å; V48-D75 WeakPolarHBondContact CG2-O 3.45Å |
| 49 | G | 74.4 | Confident | 84.4 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 19% | 0.186 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 145 | -136 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E23 I53 | E23-G49 VanDerWaalsContact O-CA 3.28Å; E23-G49 WeakPolarHBondContact O-CA 3.44Å; G49-I53 VanDerWaalsContact CA-CD1 3.5Å |
| 50 | S | 68.8 | Low | 84.1 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -51.5 | 145 | -178.8 | -66.6 | 0 | 0 | 0 | 0 | 114.4 | N52 I53 D99 | S50-N52 PolarHBondContact O-N 2.63Å; S50-I53 WeakPolarHBondContact O-CG1 3.45Å; S50-I53 PolarHBondContact O-N 2.93Å; S50-D99 VanDerWaalsContact CB-OD2 3.23Å; S50-D99 WeakPolarHBondContact CB-OD2 3.38Å; S50-D99 PolarHBondContact OG-OD2 2.93Å |
| 51 | P | 69.5 | Low | 83.1 | Confident | 131 Ų | 131 | 43.1 Ų | 43.1 | 85% | 0.851 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -0.3 | -172.3 | 27.9 | -37 | 0 | 0 | 0 | 115.9 | ||
| 52 | N | 75.2 | Confident | 81.8 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | 31.4 | 178.2 | -65.5 | -48.4 | 0 | 0 | 0 | 112.1 | S50 | S50-N52 PolarHBondContact O-N 2.63Š|
| 53 | I | 81.1 | Confident | 80.4 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | trans | -60.5 | 137 | 173.8 | -78.2 | 163.2 | 0 | 0 | 0 | 110.8 | V24 A47 V48 G49 S50 I55 V77 A97 S98 D99 | V24-I53 HydrophobicContact CG1-CD1 3.89Å; V24-I53 HydrophobicContact CG1-CG1 4.25Å; V24-I53 HydrophobicContact CG2-CD1 4.17Å; V24-I53 HydrophobicContact CG2-CG1 4.27Å; A47-I53 HydrophobicContact CB-CG2 4.44Å; V48-I53 VanDerWaalsContact C-CD1 3.4Å; V48-I53 WeakPolarHBondContact O-CD1 3.38Å; G49-I53 VanDerWaalsContact CA-CD1 3.5Å; S50-I53 WeakPolarHBondContact O-CG1 3.45Å; S50-I53 PolarHBondContact O-N 2.93Å; I53-I55 HydrophobicContact CG2-CG1 4.27Å; I53-V77 HydrophobicContact CB-CG2 3.96Å; I53-V77 HydrophobicContact CG2-CB 4.05Å; I53-V77 HydrophobicContact CG2-CG2 3.87Å; I53-A97 HydrophobicContact CG2-CB 4.45Å; I53-S98 CarbonylContact C-O 3.58Å; I53-S98 WeakPolarHBondContact CA-O 3.41Å; I53-D99 HydrophobicContact CG1-CB 4.28Å | ||
| 54 | T | 85.3 | Confident | 78.7 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.4 | 171.1 | 57.3 | 0 | 0 | 0 | 0 | 110 | A97 S98 | T54-A97 WeakPolarHBondContact O-CA 3.36Å; T54-S98 PolarHBondContact N-O 2.95Å; T54-S98 PolarHBondContact O-N 2.85Å; T54-S98 PolarHBondContact O-OG 2.89Å; T54-S98 PolarHBondContact OG1-O 2.96Å; T54-S98 PolarHBondContact OG1-OG 3.3Å |
| 55 | I | 87.7 | Confident | 77.2 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.5 | 177 | -58.4 | -179.9 | 0 | 0 | 0 | 109.3 | C45 A47 I53 V77 C95 N96 A97 | C45-I55 HydrophobicContact CB-CG2 4.37Å; A47-I55 HydrophobicContact CB-CD1 3.89Å; A47-I55 HydrophobicContact CB-CG1 4.39Å; I53-I55 HydrophobicContact CG2-CG1 4.27Å; I55-V77 HydrophobicContact CD1-CB 4.18Å; I55-V77 HydrophobicContact CD1-CG1 3.99Å; I55-V77 WeakPolarHBondContact CD1-O 3.26Å; I55-V77 HydrophobicContact CG1-CB 4.46Å; I55-V77 HydrophobicContact CG1-CG1 4.07Å; I55-C95 HydrophobicContact CG2-CB 3.85Å; I55-N96 CarbonylContact C-O 3.54Å; I55-N96 WeakPolarHBondContact CA-O 3.34Å; I55-A97 HydrophobicContact CG1-CB 4.2Å |
| 56 | T | 87.1 | Confident | 75.7 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.9 | 178.5 | 57.1 | 0 | 0 | 0 | 0 | 111 | H58 C95 N96 | T56-H58 PolarHBondContact OG1-NE2 2.72Å; T56-C95 CarbonylContact O-C 3.49Å; T56-C95 VanDerWaalsContact O-CA 3.25Å; T56-C95 WeakPolarHBondContact O-CA 3.24Å; T56-N96 PolarHBondContact N-O 2.96Å; T56-N96 PolarHBondContact O-N 2.81Å; T56-N96 PolarHBondContact OG1-O 2.72Å |
| 57 | W | 89.1 | Confident | 74.3 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.015 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.2 | -178.4 | -71.8 | 91.5 | 0 | 0 | 0 | 112 | P30 L43 C45 V65 S79 Y81 C95 | P30-W57 HydrophobicContact CB-CH2 3.9Å; P30-W57 HydrophobicContact CB-CZ3 3.87Å; P30-W57 HydrophobicContact CG-CH2 4.17Å; P30-W57 HydrophobicContact CG-CZ3 3.92Å; L43-W57 HydrophobicContact CB-CE3 4.48Å; L43-W57 HydrophobicContact CB-CH2 3.54Å; L43-W57 HydrophobicContact CB-CZ2 4.32Å; L43-W57 HydrophobicContact CB-CZ3 3.64Å; L43-W57 HydrophobicContact CD1-CE3 4.49Å; L43-W57 HydrophobicContact CD1-CZ3 4.02Å; L43-W57 HydrophobicContact CG-CZ3 4.48Å; C45-W57 HydrophobicContact CB-CH2 3.57Å; C45-W57 HydrophobicContact CB-CZ2 3.42Å; C45-W57 VanDerWaalsContact CB-CZ2 3.42Å; W57-V65 PolarHBondContact O-N 2.95Å; W57-S79 PolarHBondContact NE1-OG 2.89Å; W57-Y81 HydrophobicContact CB-CG 4.46Å; W57-Y81 HydrophobicContact CD2-CG 4.37Å; W57-Y81 HydrophobicContact CG-CG 4.21Å; W57-C95 HydrophobicContact CD2-CB 4.2Å; W57-C95 HydrophobicContact CE3-CB 4.13Å; W57-C95 HydrophobicContact CH2-CB 4.43Å; W57-C95 HydrophobicContact CZ3-CB 4.24Å |
| 58 | H | 85.8 | Confident | 73.3 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140 | -175.2 | -58.4 | -87.3 | 0 | 0 | 0 | 110 | T56 Y93 Y94 | T56-H58 PolarHBondContact OG1-NE2 2.72Å; H58-Y93 WeakPolarHBondContact O-CA 3.34Å; H58-Y94 HydrophobicContact CB-CD1 4.08Å; H58-Y94 HydrophobicContact CB-CD2 4.04Å; H58-Y94 HydrophobicContact CB-CE1 3.58Å; H58-Y94 HydrophobicContact CB-CE2 3.55Å; H58-Y94 HydrophobicContact CB-CG 4.29Å; H58-Y94 AromaticContact CD2-CE2 3.86Å; H58-Y94 AromaticContact CG-CE2 3.8Å; H58-Y94 AromaticContact CG-CZ 3.9Å; H58-Y94 PolarHBondContact N-O 3.03Å; H58-Y94 PolarHBondContact O-N 2.92Å |
| 59 | K | 84.8 | Confident | 72.9 | Confident | 36 Ų | 36 | 66 Ų | 66 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 144 | 165 | -169.1 | -175.6 | -175.6 | -171.9 | 0 | 107.6 | D61 V65 E88 E90 D92 Y93 | K59-D61 PolarHBondContact O-N 3.01Å; K59-D61 VanDerWaalsContact O-N 3.12Å; K59-V65 HydrophobicContact CB-CG2 3.8Å; K59-E88 PolarHBondContact NZ-O 3.32Å; K59-E90 WeakPolarHBondContact CE-O 3.48Å; K59-E90 PolarHBondContact NZ-O 2.93Å; K59-D92 WeakPolarHBondContact CA-O 3.39Å; K59-Y93 HydrophobicContact CB-CD1 4.29Å; K59-Y93 HydrophobicContact CB-CE1 4.05Å; K59-Y93 HydrophobicContact CD-CE2 4.49Å; K59-Y93 HydrophobicContact CG-CE1 4.28Å; K59-Y93 HydrophobicContact CG-CE2 4.32Å |
| 60 | L | 78.3 | Confident | 72.9 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.9 | -174.7 | -150.1 | 75.9 | 0 | 0 | 0 | 113.7 | N62 D92 Y94 K108 | L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.47Å; L60-D92 HydrophobicContact CB-CB 4.2Å; L60-D92 PolarHBondContact N-O 3.18Å; L60-Y94 HydrophobicContact CD1-CD1 4.28Å; L60-Y94 HydrophobicContact CD1-CE1 3.97Å; L60-K108 HydrophobicContact CD1-CD 4.18Å |
| 61 | D | 67 | Low | 73.4 | Confident | 112 Ų | 112 | 75.2 Ų | 75.2 | 60% | 0.599 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 31.9 | -170.7 | -48.9 | -58.2 | 0 | 0 | 0 | 114.4 | K59 | K59-D61 PolarHBondContact O-N 3.01Å; K59-D61 VanDerWaalsContact O-N 3.12Å |
| 62 | N | 59.8 | Low | 73.6 | Confident | 147 Ų | 147 | 74.8 Ų | 74.8 | 79% | 0.786 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 77.1 | 155.1 | 174.1 | -119.2 | -28.2 | 0 | 0 | 0 | 117.3 | L60 | L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.47Å |
| 63 | I | 60 | Low | 73.4 | Confident | 140 Ų | 140 | 72.6 Ų | 72.6 | 72% | 0.718 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 69.5 | 126.6 | -170.5 | -50.7 | 178.4 | 0 | 0 | 0 | 113.6 | V65 | I63-V65 WeakPolarHBondContact O-CG2 3.44Å; I63-V65 PolarHBondContact O-N 3.16Å |
| 64 | S | 54.7 | Low | 72.9 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | B | Isolated β-bridge | trans | -62.5 | 122 | 176.9 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | A66 | S64-A66 PolarHBondContact O-N 3.5Å |
| 65 | V | 59.4 | Low | 72.3 | Confident | 35 Ų | 35 | 84.6 Ų | 84.6 | 21% | 0.212 | 48% | 0.475 | C | S | . | . | trans | -95.3 | 101 | -172.8 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | W57 K59 I63 Y81 | W57-V65 PolarHBondContact O-N 2.95Å; K59-V65 HydrophobicContact CB-CG2 3.8Å; I63-V65 WeakPolarHBondContact O-CG2 3.44Å; I63-V65 PolarHBondContact O-N 3.16Å; V65-Y81 HydrophobicContact CG1-CE1 4.23Å; V65-Y81 HydrophobicContact CG1-CE2 3.99Å; V65-Y81 WeakPolarHBondContact CG1-OH 3.43Å | ||
| 66 | A | 59.7 | Low | 71.9 | Confident | 67 Ų | 67 | 85 Ų | 85 | 55% | 0.554 | 48% | 0.48 | S | S | * | . | trans | 29 | 125.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | S64 G68 Y81 | S64-A66 PolarHBondContact O-N 3.5Å; A66-G68 PolarHBondContact O-N 3.02Å; A66-Y81 HydrophobicContact CB-CE2 4.39Å | ||
| 67 | S | 58.8 | Low | 71.8 | Confident | 119 Ų | 119 | 83 Ų | 83 | 83% | 0.832 | 47% | 0.468 | S | S | * | . | trans | -46.4 | 111.6 | 172.6 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 68 | G | 67.3 | Low | 71.7 | Confident | 9 Ų | 9 | 86.4 Ų | 86.4 | 9% | 0.093 | 48% | 0.481 | C | S | . | . | trans | -60.6 | 168 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A66 T70 S80 | A66-G68 PolarHBondContact O-N 3.02Å; G68-T70 VanDerWaalsContact C-N 3.32Å; G68-T70 PolarHBondContact O-N 2.98Å; G68-S80 CarbonylContact C-O 3.6Å; G68-S80 WeakPolarHBondContact CA-O 3.42Å | ||
| 69 | S | 76.6 | Confident | 71.8 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 91.6 | 175.4 | -166.7 | 0 | 0 | 0 | 0 | 109.5 | S80 | S69-S80 PolarHBondContact N-O 3.43Å; S69-S80 PolarHBondContact O-N 3.11Å |
| 70 | T | 75.4 | Confident | 71.9 | Confident | 76 Ų | 76 | 84 Ų | 84 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.8 | 175.2 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | G68 Y78 | G68-T70 VanDerWaalsContact C-N 3.32Å; G68-T70 PolarHBondContact O-N 2.98Å; T70-Y78 CarbonylContact C-O 3.59Å; T70-Y78 VanDerWaalsContact CA-O 3.27Å; T70-Y78 WeakPolarHBondContact CA-O 3.46Å |
| 71 | R | 78 | Confident | 72.4 | Confident | 163 Ų | 163 | 81.7 Ų | 81.7 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.5 | 169.8 | -63 | 179.6 | -178.5 | 178.1 | -0.3 | 107.8 | Y78 | R71-Y78 PolarHBondContact N-O 3.01Å; R71-Y78 PolarHBondContact O-N 2.97Å |
| 72 | V | 74.5 | Confident | 73.3 | Confident | 123 Ų | 123 | 78.3 Ų | 78.3 | 75% | 0.745 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.3 | 169.5 | -174 | 0 | 0 | 0 | 0 | 107.5 | V77 | V72-V77 HydrophobicContact CG2-CG2 4.42Å |
| 73 | T | 71.9 | Confident | 74.6 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 164.6 | 179.7 | 33 | 0 | 0 | 0 | 0 | 109.1 | D75 G76 | T73-D75 PolarHBondContact O-N 2.91Å; T73-G76 CarbonylContact C-O 3.56Å; T73-G76 PolarHBondContact N-O 2.92Å; T73-G76 PolarHBondContact O-N 2.84Å; T73-G76 VanDerWaalsContact O-N 3.14Å; T73-G76 PolarHBondContact OG1-O 2.94Å |
| 74 | E | 70.3 | Confident | 75.9 | Confident | 204 Ų | 204 | 68.8 Ų | 68.8 | 95% | 0.953 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.9 | 172.7 | -62.4 | -175.4 | 162.7 | 0 | 0 | 110.7 | G76 | E74-G76 PolarHBondContact O-N 2.9Š|
| 75 | D | 71.1 | Confident | 77.4 | Confident | 141 Ų | 141 | 64.6 Ų | 64.6 | 75% | 0.754 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 21.9 | 173.6 | -45.5 | -70.7 | 0 | 0 | 0 | 114.3 | V48 T73 | V48-D75 WeakPolarHBondContact CG2-O 3.45Å; T73-D75 PolarHBondContact O-N 2.91Å |
| 76 | G | 80.5 | Confident | 78.7 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.9 | -158.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T73 E74 | T73-G76 CarbonylContact C-O 3.56Å; T73-G76 PolarHBondContact N-O 2.92Å; T73-G76 PolarHBondContact O-N 2.84Å; T73-G76 VanDerWaalsContact O-N 3.14Å; T73-G76 PolarHBondContact OG1-O 2.94Å; E74-G76 PolarHBondContact O-N 2.9Å |
| 77 | V | 84.4 | Confident | 79.9 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.3 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | S46 A47 I53 I55 V72 | S46-V77 CarbonylContact C-O 3.57Å; S46-V77 VanDerWaalsContact CA-O 3.26Å; S46-V77 WeakPolarHBondContact CA-O 3.46Å; A47-V77 PolarHBondContact N-O 3.4Å; A47-V77 PolarHBondContact O-N 3.41Å; I53-V77 HydrophobicContact CB-CG2 3.96Å; I53-V77 HydrophobicContact CG2-CB 4.05Å; I53-V77 HydrophobicContact CG2-CG2 3.87Å; I55-V77 HydrophobicContact CD1-CB 4.18Å; I55-V77 HydrophobicContact CD1-CG1 3.99Å; I55-V77 WeakPolarHBondContact CD1-O 3.26Å; I55-V77 HydrophobicContact CG1-CB 4.46Å; I55-V77 HydrophobicContact CG1-CG1 4.07Å; V72-V77 HydrophobicContact CG2-CG2 4.42Å |
| 78 | Y | 87.3 | Confident | 81 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.4 | 172.3 | 176.8 | -83.7 | 0 | 0 | 0 | 109.8 | V44 T70 R71 | V44-Y78 HydrophobicContact CG1-CD2 4.29Å; V44-Y78 HydrophobicContact CG1-CE2 3.41Å; V44-Y78 VanDerWaalsContact CG1-CE2 3.41Å; V44-Y78 WeakPolarHBondContact CG2-OH 3.3Å; T70-Y78 CarbonylContact C-O 3.59Å; T70-Y78 VanDerWaalsContact CA-O 3.27Å; T70-Y78 WeakPolarHBondContact CA-O 3.46Å; R71-Y78 PolarHBondContact N-O 3.01Å; R71-Y78 PolarHBondContact O-N 2.97Å |
| 79 | S | 87.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 127.1 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | C45 W57 | C45-S79 PolarHBondContact N-O 3.19Å; C45-S79 PolarHBondContact O-N 3.31Å; C45-S79 VanDerWaalsContact O-O 3.11Å; W57-S79 PolarHBondContact NE1-OG 2.89Å |
| 80 | S | 88.5 | Confident | 82.3 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.3 | 173.1 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | L43 G68 S69 | L43-S80 CarbonylContact O-C 3.52Å; L43-S80 VanDerWaalsContact O-CA 3.28Å; L43-S80 WeakPolarHBondContact O-CA 3.43Å; G68-S80 CarbonylContact C-O 3.6Å; G68-S80 WeakPolarHBondContact CA-O 3.42Å; S69-S80 PolarHBondContact N-O 3.43Å; S69-S80 PolarHBondContact O-N 3.11Å |
| 81 | Y | 87 | Confident | 82.9 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 101.5 | 175.2 | 179 | -111.4 | 0 | 0 | 0 | 109.6 | T42 L43 W57 V65 A66 F83 Y93 | T42-Y81 WeakPolarHBondContact CA-O 3.32Å; L43-Y81 PolarHBondContact N-O 2.92Å; L43-Y81 PolarHBondContact O-N 2.79Å; W57-Y81 HydrophobicContact CB-CG 4.46Å; W57-Y81 HydrophobicContact CD2-CG 4.37Å; W57-Y81 HydrophobicContact CG-CG 4.21Å; V65-Y81 HydrophobicContact CG1-CE1 4.23Å; V65-Y81 HydrophobicContact CG1-CE2 3.99Å; V65-Y81 WeakPolarHBondContact CG1-OH 3.43Å; A66-Y81 HydrophobicContact CB-CE2 4.39Å; Y81-F83 AromaticContact CD1-CD1 3.5Å; Y81-F83 HydrophobicContact CD1-CD1 3.5Å; Y81-F83 VanDerWaalsContact CD1-CD1 3.5Å; Y81-F83 AromaticContact CD1-CE1 3.64Å; Y81-F83 HydrophobicContact CD1-CE1 3.64Å; Y81-F83 HydrophobicContact CE1-CB 4.3Å; Y81-F83 AromaticContact CE1-CD1 3.16Å; Y81-F83 HydrophobicContact CE1-CD1 3.16Å; Y81-F83 AromaticContact CE1-CE1 3.47Å; Y81-F83 HydrophobicContact CE1-CE1 3.47Å; Y81-F83 VanDerWaalsContact CE1-CE1 3.47Å; Y81-F83 AromaticContact CE1-CG 3.87Å; Y81-F83 HydrophobicContact CE1-CG 3.87Å; Y81-F83 HydrophobicContact CE1-CZ 4.38Å; Y81-F83 HydrophobicContact CG-CD1 4.45Å; Y81-F83 AromaticContact CZ-CD1 3.89Å; Y81-Y93 HydrophobicContact CD1-CD1 4.43Å; Y81-Y93 HydrophobicContact CD1-CE1 4.31Å; Y81-Y93 HydrophobicContact CE1-CD1 4.29Å; Y81-Y93 AromaticContact CE1-CE1 3.73Å; Y81-Y93 HydrophobicContact CE1-CE1 3.73Å |
| 82 | G | 86.2 | Confident | 83.4 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I41 | I41-G82 CarbonylContact O-C 3.56Å; I41-G82 VanDerWaalsContact O-CA 3.32Å; I41-G82 WeakPolarHBondContact O-CA 3.41Å |
| 83 | F | 86.9 | Confident | 84.2 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 161.1 | -179.2 | 61.7 | -80.2 | 0 | 0 | 0 | 111.9 | Q40 I41 L43 Y81 L85 N89 Y93 V111 | Q40-F83 WeakPolarHBondContact CA-O 3.43Å; I41-F83 HydrophobicContact CG2-CE1 4.29Å; I41-F83 HydrophobicContact CG2-CZ 4.32Å; I41-F83 PolarHBondContact N-O 3.22Å; I41-F83 PolarHBondContact O-N 3.13Å; I41-F83 VanDerWaalsContact O-O 3.11Å; L43-F83 HydrophobicContact CD1-CE1 4.19Å; L43-F83 HydrophobicContact CG-CE1 4.21Å; Y81-F83 AromaticContact CD1-CD1 3.5Å; Y81-F83 HydrophobicContact CD1-CD1 3.5Å; Y81-F83 VanDerWaalsContact CD1-CD1 3.5Å; Y81-F83 AromaticContact CD1-CE1 3.64Å; Y81-F83 HydrophobicContact CD1-CE1 3.64Å; Y81-F83 HydrophobicContact CE1-CB 4.3Å; Y81-F83 AromaticContact CE1-CD1 3.16Å; Y81-F83 HydrophobicContact CE1-CD1 3.16Å; Y81-F83 AromaticContact CE1-CE1 3.47Å; Y81-F83 HydrophobicContact CE1-CE1 3.47Å; Y81-F83 VanDerWaalsContact CE1-CE1 3.47Å; Y81-F83 AromaticContact CE1-CG 3.87Å; Y81-F83 HydrophobicContact CE1-CG 3.87Å; Y81-F83 HydrophobicContact CE1-CZ 4.38Å; Y81-F83 HydrophobicContact CG-CD1 4.45Å; Y81-F83 AromaticContact CZ-CD1 3.89Å; F83-L85 HydrophobicContact CE2-CD1 4.43Å; F83-N89 HydrophobicContact CD2-CB 3.86Å; F83-N89 HydrophobicContact CE2-CB 3.83Å; F83-Y93 HydrophobicContact CZ-CE2 4.08Å; F83-V111 HydrophobicContact CE2-CG1 4.29Å; F83-V111 HydrophobicContact CZ-CB 4.4Å; F83-V111 HydrophobicContact CZ-CG1 3.97Å; F83-V111 HydrophobicContact CZ-CG2 4.16Å |
| 84 | T | 88.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.4 | 169.1 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | N38 V86 N89 | N38-T84 HydrophobicContact CB-CG2 4.46Å; T84-V86 PolarHBondContact O-N 3.38Å; T84-N89 PolarHBondContact O-ND2 3.46Å |
| 85 | L | 86.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -71.8 | 116.9 | 175.7 | -179.1 | 59.2 | 0 | 0 | 0 | 110.1 | N38 Q39 I41 F83 V111 I113 | N38-L85 WeakPolarHBondContact CA-O 3.48Å; N38-L85 PolarHBondContact N-O 3.32Å; Q39-L85 PolarHBondContact O-N 2.78Å; I41-L85 HydrophobicContact CD1-CB 3.84Å; I41-L85 HydrophobicContact CD1-CD2 3.58Å; I41-L85 HydrophobicContact CD1-CG 4.2Å; I41-L85 HydrophobicContact CG1-CB 4.25Å; F83-L85 HydrophobicContact CE2-CD1 4.43Å; L85-V111 HydrophobicContact CD1-CG1 3.81Å; L85-V111 HydrophobicContact CD2-CG1 4.5Å; L85-I113 HydrophobicContact CD1-CG1 4.19Å; L85-I113 HydrophobicContact CD2-CG1 3.84Å; L85-I113 HydrophobicContact CG-CG1 3.89Å | ||
| 86 | V | 86.4 | Confident | 87 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | trans | -132.6 | 163.8 | 168.8 | -66.6 | 0 | 0 | 0 | 0 | 107.4 | T84 E88 N89 E90 | T84-V86 PolarHBondContact O-N 3.38Å; V86-E88 HydrophobicContact CG2-CB 4.25Å; V86-E88 PolarHBondContact O-N 2.95Å; V86-E88 VanDerWaalsContact O-N 3.13Å; V86-N89 HydrophobicContact CG2-CB 4.13Å; V86-N89 CarbonylContact O-C 3.59Å; V86-N89 WeakPolarHBondContact O-CA 3.07Å; V86-N89 PolarHBondContact O-N 3.24Å; V86-E90 PolarHBondContact O-N 3.18Å | ||
| 87 | S | 84 | Confident | 87.3 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -56.9 | -29.2 | -177.4 | 46.1 | 0 | 0 | 0 | 0 | 114 | N89 E90 | S87-N89 VanDerWaalsContact C-N 3.33Å; S87-N89 PolarHBondContact O-N 3.23Å; S87-E90 WeakPolarHBondContact O-CB 3.35Å; S87-E90 PolarHBondContact O-N 2.82Å |
| 88 | E | 83.1 | Confident | 87.3 | Confident | 163 Ų | 163 | 37.2 Ų | 37.2 | 76% | 0.762 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -68.2 | -30.5 | 173.6 | -56.8 | -180 | 168.8 | 0 | 0 | 113.2 | K59 V86 | K59-E88 PolarHBondContact NZ-O 3.32Å; V86-E88 HydrophobicContact CG2-CB 4.25Å; V86-E88 PolarHBondContact O-N 2.95Å; V86-E88 VanDerWaalsContact O-N 3.13Å |
| 89 | N | 84.3 | Confident | 86.9 | Confident | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -92.9 | 3.2 | 178.6 | -68.1 | -22.7 | 0 | 0 | 0 | 112.8 | F83 T84 V86 S87 Y93 | F83-N89 HydrophobicContact CD2-CB 3.86Å; F83-N89 HydrophobicContact CE2-CB 3.83Å; T84-N89 PolarHBondContact O-ND2 3.46Å; V86-N89 HydrophobicContact CG2-CB 4.13Å; V86-N89 CarbonylContact O-C 3.59Å; V86-N89 WeakPolarHBondContact O-CA 3.07Å; V86-N89 PolarHBondContact O-N 3.24Å; S87-N89 VanDerWaalsContact C-N 3.33Å; S87-N89 PolarHBondContact O-N 3.23Å; N89-Y93 PolarHBondContact O-OH 3.46Å |
| 90 | E | 87.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | trans | -72.6 | 135.7 | 170.2 | -176 | 156.7 | -143.9 | 0 | 0 | 110.1 | K59 V86 S87 R112 I113 | K59-E90 WeakPolarHBondContact CE-O 3.48Å; K59-E90 PolarHBondContact NZ-O 2.93Å; V86-E90 PolarHBondContact O-N 3.18Å; S87-E90 WeakPolarHBondContact O-CB 3.35Å; S87-E90 PolarHBondContact O-N 2.82Å; E90-R112 WeakPolarHBondContact OE1-CA 3.33Å; E90-R112 WeakPolarHBondContact OE1-CB 3.49Å; E90-R112 WeakPolarHBondContact OE1-CD 3.47Å; E90-I113 PolarHBondContact OE1-N 3.27Å | ||
| 91 | G | 86.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.3 | -171 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V111 R112 | G91-V111 PolarHBondContact N-O 2.03Å; G91-V111 VanDerWaalsContact N-O 3.1Å; G91-V111 PolarHBondContact O-N 2.82Å; G91-R112 PolarHBondContact O-NH1 2.69Å |
| 92 | D | 90.1 | Very high | 84.9 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124 | -173.4 | -62.6 | -4.3 | 0 | 0 | 0 | 110.6 | K59 L60 R112 | K59-D92 WeakPolarHBondContact CA-O 3.39Å; L60-D92 HydrophobicContact CB-CB 4.2Å; L60-D92 PolarHBondContact N-O 3.18Å; D92-R112 IonicContact OD1-CZ 2.79Å; D92-R112 IonicContact OD1-NH1 3.61Å; D92-R112 PolarHBondContact OD1-NH1 3.25Å; D92-R112 IonicContact OD1-NH2 3.21Å; D92-R112 PolarHBondContact OD1-NH2 3.5Å; D92-R112 IonicContact OD2-NH2 2.7Å |
| 93 | Y | 90.9 | Very high | 84.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.8 | -175.9 | -72.3 | -97.2 | 0 | 0 | 0 | 111.5 | L43 H58 K59 Y81 F83 N89 K108 A109 V111 | L43-Y93 VanDerWaalsContact CD1-CB 3.43Å; L43-Y93 HydrophobicContact CD1-CD1 4.06Å; L43-Y93 HydrophobicContact CD1-CD2 4.08Å; L43-Y93 HydrophobicContact CD1-CG 3.6Å; H58-Y93 WeakPolarHBondContact O-CA 3.34Å; K59-Y93 HydrophobicContact CB-CD1 4.29Å; K59-Y93 HydrophobicContact CB-CE1 4.05Å; K59-Y93 HydrophobicContact CD-CE2 4.49Å; K59-Y93 HydrophobicContact CG-CE1 4.28Å; K59-Y93 HydrophobicContact CG-CE2 4.32Å; Y81-Y93 HydrophobicContact CD1-CD1 4.43Å; Y81-Y93 HydrophobicContact CD1-CE1 4.31Å; Y81-Y93 HydrophobicContact CE1-CD1 4.29Å; Y81-Y93 AromaticContact CE1-CE1 3.73Å; Y81-Y93 HydrophobicContact CE1-CE1 3.73Å; F83-Y93 HydrophobicContact CZ-CE2 4.08Å; N89-Y93 PolarHBondContact O-OH 3.46Å; Y93-K108 CarbonylContact O-C 3.54Å; Y93-K108 WeakPolarHBondContact O-CA 3.08Å; Y93-A109 PolarHBondContact N-O 3.49Å; Y93-A109 PolarHBondContact O-N 2.89Å; Y93-V111 HydrophobicContact CD2-CB 4.11Å; Y93-V111 HydrophobicContact CD2-CG2 3.77Å; Y93-V111 HydrophobicContact CE2-CB 4.16Å; Y93-V111 HydrophobicContact CE2-CG2 4.19Å |
| 94 | Y | 91 | Very high | 84.8 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161.8 | 170.6 | 62.1 | -83.9 | 0 | 0 | 0 | 110.3 | H58 L60 N96 Q105 | H58-Y94 HydrophobicContact CB-CD1 4.08Å; H58-Y94 HydrophobicContact CB-CD2 4.04Å; H58-Y94 HydrophobicContact CB-CE1 3.58Å; H58-Y94 HydrophobicContact CB-CE2 3.55Å; H58-Y94 HydrophobicContact CB-CG 4.29Å; H58-Y94 AromaticContact CD2-CE2 3.86Å; H58-Y94 AromaticContact CG-CE2 3.8Å; H58-Y94 AromaticContact CG-CZ 3.9Å; H58-Y94 PolarHBondContact N-O 3.03Å; H58-Y94 PolarHBondContact O-N 2.92Å; L60-Y94 HydrophobicContact CD1-CD1 4.28Å; L60-Y94 HydrophobicContact CD1-CE1 3.97Å; Y94-N96 WeakPolarHBondContact CD2-OD1 3.44Å; Y94-N96 VanDerWaalsContact CE2-OD1 3.31Å; Y94-N96 WeakPolarHBondContact CE2-OD1 3.4Å; Y94-Q105 HydrophobicContact CD2-CG 3.42Å; Y94-Q105 VanDerWaalsContact CD2-CG 3.42Å; Y94-Q105 HydrophobicContact CE2-CG 3.83Å; Y94-Q105 HydrophobicContact CG-CG 4.24Å |
| 95 | C | 89.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 142.8 | 171.5 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | C45 I55 T56 W57 S106 | C45-C95 HydrophobicContact CB-CB 3.7Å; C45-C95 WeakPolarHBondContact CB-SG 3.16Å; C45-C95 WeakPolarHBondContact SG-CB 3.34Å; C45-C95 CovalentContact SG-SG 2.03Å; C45-C95 PolarHBondContact SG-SG 3.33Å; I55-C95 HydrophobicContact CG2-CB 3.85Å; T56-C95 CarbonylContact O-C 3.49Å; T56-C95 VanDerWaalsContact O-CA 3.25Å; T56-C95 WeakPolarHBondContact O-CA 3.24Å; W57-C95 HydrophobicContact CD2-CB 4.2Å; W57-C95 HydrophobicContact CE3-CB 4.13Å; W57-C95 HydrophobicContact CH2-CB 4.43Å; W57-C95 HydrophobicContact CZ3-CB 4.24Å; C95-S106 PolarHBondContact N-OG 2.69Å; C95-S106 PolarHBondContact O-N 2.91Å; C95-S106 PolarHBondContact O-OG 3.37Å; C95-S106 VanDerWaalsContact SG-CB 3.5Å; C95-S106 PolarHBondContact SG-OG 3.1Å; C95-S106 VanDerWaalsContact SG-OG 3.41Å |
| 96 | N | 89.6 | Confident | 85 | Confident | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.9 | 168.1 | -77.1 | 12 | 0 | 0 | 0 | 108.9 | I55 T56 Y94 I104 Q105 | I55-N96 CarbonylContact C-O 3.54Å; I55-N96 WeakPolarHBondContact CA-O 3.34Å; T56-N96 PolarHBondContact N-O 2.96Å; T56-N96 PolarHBondContact O-N 2.81Å; T56-N96 PolarHBondContact OG1-O 2.72Å; Y94-N96 WeakPolarHBondContact CD2-OD1 3.44Å; Y94-N96 VanDerWaalsContact CE2-OD1 3.31Å; Y94-N96 WeakPolarHBondContact CE2-OD1 3.4Å; N96-I104 CarbonylContact C-O 3.55Å; N96-I104 VanDerWaalsContact CA-O 3.26Å; N96-I104 WeakPolarHBondContact CA-O 3.24Å; N96-Q105 VanDerWaalsContact OD1-CG 3.27Å; N96-Q105 WeakPolarHBondContact OD1-CG 3.42Å |
| 97 | A | 88.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | V24 F26 A47 I53 T54 I55 W103 I104 | V24-A97 HydrophobicContact CG1-CB 4.11Å; F26-A97 HydrophobicContact CD1-CB 4.41Å; F26-A97 HydrophobicContact CE1-CB 3.62Å; F26-A97 HydrophobicContact CZ-CB 3.84Å; A47-A97 HydrophobicContact CB-CB 3.72Å; I53-A97 HydrophobicContact CG2-CB 4.45Å; T54-A97 WeakPolarHBondContact O-CA 3.36Å; I55-A97 HydrophobicContact CG1-CB 4.2Å; A97-W103 CarbonylContact O-C 3.52Å; A97-W103 VanDerWaalsContact O-CA 3.31Å; A97-W103 WeakPolarHBondContact O-CA 3.3Å; A97-I104 HydrophobicContact CB-CD1 4.46Å; A97-I104 HydrophobicContact CB-CG1 3.98Å; A97-I104 PolarHBondContact N-O 2.82Å; A97-I104 PolarHBondContact O-N 2.87Å |
| 98 | S | 84 | Confident | 85.5 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.3 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | I53 T54 H102 | I53-S98 CarbonylContact C-O 3.58Å; I53-S98 WeakPolarHBondContact CA-O 3.41Å; T54-S98 PolarHBondContact N-O 2.95Å; T54-S98 PolarHBondContact O-N 2.85Å; T54-S98 PolarHBondContact O-OG 2.89Å; T54-S98 PolarHBondContact OG1-O 2.96Å; T54-S98 PolarHBondContact OG1-OG 3.3Å; S98-H102 WeakPolarHBondContact CA-O 3.24Å |
| 99 | D | 79.8 | Confident | 85.9 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.16 | 27% | 0.27 | C | S | . | . | trans | -112 | -163.1 | 171.1 | 83.9 | -5.3 | 0 | 0 | 0 | 111.3 | V24 S50 I53 L101 H102 | V24-D99 HydrophobicContact CG2-CB 4.16Å; S50-D99 VanDerWaalsContact CB-OD2 3.23Å; S50-D99 WeakPolarHBondContact CB-OD2 3.38Å; S50-D99 PolarHBondContact OG-OD2 2.93Å; I53-D99 HydrophobicContact CG1-CB 4.28Å; D99-L101 PolarHBondContact O-N 3.2Å; D99-L101 PolarHBondContact OD1-N 2.83Å; D99-H102 PolarHBondContact N-O 2.88Å; D99-H102 PolarHBondContact OD1-N 2.91Å | ||
| 100 | S | 76.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 54 Ų | 54 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -72 | -6.5 | -179.2 | 47.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 101 | L | 70.6 | Confident | 86.3 | Confident | 138 Ų | 138 | 50.9 Ų | 50.9 | 72% | 0.723 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -134.4 | -32.1 | -173.5 | -67.9 | 170 | 0 | 0 | 0 | 113.3 | D99 | D99-L101 PolarHBondContact O-N 3.2Å; D99-L101 PolarHBondContact OD1-N 2.83Å |
| 102 | H | 72.3 | Confident | 86.4 | Confident | 130 Ų | 130 | 53.9 Ų | 53.9 | 60% | 0.602 | 26% | 0.262 | S | S | * | . | trans | -139.6 | 166.3 | -171.5 | -51.2 | 106.9 | 0 | 0 | 0 | 112.5 | S98 D99 | S98-H102 WeakPolarHBondContact CA-O 3.24Å; D99-H102 PolarHBondContact N-O 2.88Å; D99-H102 PolarHBondContact OD1-N 2.91Å | ||
| 103 | W | 83.2 | Confident | 86.3 | Confident | 167 Ų | 167 | 53.8 Ų | 53.8 | 63% | 0.633 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148.2 | 169.8 | 63.9 | -84.7 | 0 | 0 | 0 | 111 | A97 Q105 | A97-W103 CarbonylContact O-C 3.52Å; A97-W103 VanDerWaalsContact O-CA 3.31Å; A97-W103 WeakPolarHBondContact O-CA 3.3Å; W103-Q105 HydrophobicContact CZ3-CB 4.17Å |
| 104 | I | 87.2 | Confident | 86.1 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153.7 | 175.2 | 60.1 | 166.6 | 0 | 0 | 0 | 110 | V24 F26 N96 A97 | V24-I104 HydrophobicContact CB-CD1 4.37Å; V24-I104 HydrophobicContact CG1-CD1 3.84Å; V24-I104 HydrophobicContact CG1-CG1 4.01Å; V24-I104 WeakPolarHBondContact O-CD1 3.04Å; F26-I104 HydrophobicContact CD2-CD1 3.48Å; F26-I104 VanDerWaalsContact CD2-CD1 3.48Å; F26-I104 HydrophobicContact CD2-CG1 4.14Å; F26-I104 HydrophobicContact CE2-CB 4.09Å; F26-I104 HydrophobicContact CE2-CD1 3.39Å; F26-I104 HydrophobicContact CE2-CG1 3.5Å; F26-I104 VanDerWaalsContact CE2-CG1 3.5Å; F26-I104 HydrophobicContact CG-CD1 4.15Å; F26-I104 HydrophobicContact CZ-CD1 4.02Å; F26-I104 HydrophobicContact CZ-CG1 3.83Å; N96-I104 CarbonylContact C-O 3.55Å; N96-I104 VanDerWaalsContact CA-O 3.26Å; N96-I104 WeakPolarHBondContact CA-O 3.24Å; A97-I104 HydrophobicContact CB-CD1 4.46Å; A97-I104 HydrophobicContact CB-CG1 3.98Å; A97-I104 PolarHBondContact N-O 2.82Å; A97-I104 PolarHBondContact O-N 2.87Å |
| 105 | Q | 89.6 | Confident | 85.8 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134 | -178.7 | -168.3 | -149.6 | -85.4 | 0 | 0 | 109.4 | Y94 N96 W103 | Y94-Q105 HydrophobicContact CD2-CG 3.42Å; Y94-Q105 VanDerWaalsContact CD2-CG 3.42Å; Y94-Q105 HydrophobicContact CE2-CG 3.83Å; Y94-Q105 HydrophobicContact CG-CG 4.24Å; N96-Q105 VanDerWaalsContact OD1-CG 3.27Å; N96-Q105 WeakPolarHBondContact OD1-CG 3.42Å; W103-Q105 HydrophobicContact CZ3-CB 4.17Å |
| 106 | S | 91.2 | Very high | 85.7 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 170 | 175.6 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | F26 E29 C95 | F26-S106 VanDerWaalsContact CE2-N 3.31Å; E29-S106 VanDerWaalsContact OE1-CA 3.31Å; E29-S106 WeakPolarHBondContact OE1-CA 3.42Å; C95-S106 PolarHBondContact N-OG 2.69Å; C95-S106 PolarHBondContact O-N 2.91Å; C95-S106 PolarHBondContact O-OG 3.37Å; C95-S106 VanDerWaalsContact SG-CB 3.5Å; C95-S106 PolarHBondContact SG-OG 3.1Å; C95-S106 VanDerWaalsContact SG-OG 3.41Å |
| 107 | K | 90.6 | Very high | 85.6 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 155.5 | 155 | 79.5 | -172.3 | 173.1 | -143.4 | 0 | 110.5 | E29 P30 N31 | E29-K107 HydrophobicContact CB-CD 4.02Å; E29-K107 HydrophobicContact CB-CG 3.96Å; E29-K107 PolarHBondContact O-NZ 3.43Å; E29-K107 PolarHBondContact OE1-N 2.9Å; E29-K107 VanDerWaalsContact OE2-CD 3.28Å; E29-K107 WeakPolarHBondContact OE2-CD 3.43Å; E29-K107 IonicContact OE2-NZ 3.97Å; P30-K107 WeakPolarHBondContact O-CE 3.25Å; N31-K107 VanDerWaalsContact OD1-CE 3.3Å; N31-K107 WeakPolarHBondContact OD1-CE 3.4Å; N31-K107 PolarHBondContact OD1-NZ 3.49Å |
| 108 | K | 89.8 | Confident | 85.4 | Confident | 103 Ų | 103 | 65.2 Ų | 65.2 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 144 | 174.2 | -60 | -177 | -177.5 | -174.4 | 0 | 110.2 | L60 Y93 | L60-K108 HydrophobicContact CD1-CD 4.18Å; Y93-K108 CarbonylContact O-C 3.54Å; Y93-K108 WeakPolarHBondContact O-CA 3.08Å |
| 109 | A | 90.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P30 N31 L43 Y93 V111 | P30-A109 HydrophobicContact CB-CB 3.68Å; P30-A109 HydrophobicContact CG-CB 4.1Å; N31-A109 WeakPolarHBondContact O-CB 3.34Å; L43-A109 HydrophobicContact CD2-CB 4.41Å; Y93-A109 PolarHBondContact N-O 3.49Å; Y93-A109 PolarHBondContact O-N 2.89Å; A109-V111 PolarHBondContact O-N 2.85Å |
| 110 | S | 90.1 | Very high | 86 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 112.6 | 174.3 | -38.7 | 0 | 0 | 0 | 0 | 108.4 | D32 T33 | D32-S110 WeakPolarHBondContact CA-O 3.35Å; D32-S110 WeakPolarHBondContact OD1-CA 3.46Å; D32-S110 WeakPolarHBondContact OD1-CB 3.34Å; D32-S110 PolarHBondContact OD1-N 2.85Å; D32-S110 PolarHBondContact OD1-OG 2.88Å; T33-S110 PolarHBondContact N-O 2.81Å |
| 111 | V | 89.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.7 | 166 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | T33 I41 L43 F83 L85 G91 Y93 A109 | T33-V111 WeakPolarHBondContact O-CA 3.41Å; I41-V111 HydrophobicContact CD1-CG1 3.94Å; L43-V111 HydrophobicContact CD1-CG2 3.93Å; L43-V111 HydrophobicContact CD2-CG2 3.85Å; L43-V111 HydrophobicContact CG-CG2 4.22Å; F83-V111 HydrophobicContact CE2-CG1 4.29Å; F83-V111 HydrophobicContact CZ-CB 4.4Å; F83-V111 HydrophobicContact CZ-CG1 3.97Å; F83-V111 HydrophobicContact CZ-CG2 4.16Å; L85-V111 HydrophobicContact CD1-CG1 3.81Å; L85-V111 HydrophobicContact CD2-CG1 4.5Å; G91-V111 PolarHBondContact N-O 2.03Å; G91-V111 VanDerWaalsContact N-O 3.1Å; G91-V111 PolarHBondContact O-N 2.82Å; Y93-V111 HydrophobicContact CD2-CB 4.11Å; Y93-V111 HydrophobicContact CD2-CG2 3.77Å; Y93-V111 HydrophobicContact CE2-CB 4.16Å; Y93-V111 HydrophobicContact CE2-CG2 4.19Å; A109-V111 PolarHBondContact O-N 2.85Å |
| 112 | R | 89.5 | Confident | 87.5 | Confident | 71 Ų | 71 | 71 Ų | 71 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147 | -175.8 | -64.2 | -63.5 | -176.9 | -79.2 | -3 | 112.7 | T33 Y34 G35 E90 G91 D92 S114 | T33-R112 PolarHBondContact O-N 2.78Å; Y34-R112 HydrophobicContact CD1-CB 4.03Å; Y34-R112 HydrophobicContact CE1-CB 4.23Å; G35-R112 PolarHBondContact N-O 3.42Å; E90-R112 WeakPolarHBondContact OE1-CA 3.33Å; E90-R112 WeakPolarHBondContact OE1-CB 3.49Å; E90-R112 WeakPolarHBondContact OE1-CD 3.47Å; G91-R112 PolarHBondContact O-NH1 2.69Å; D92-R112 IonicContact OD1-CZ 2.79Å; D92-R112 IonicContact OD1-NH1 3.61Å; D92-R112 PolarHBondContact OD1-NH1 3.25Å; D92-R112 IonicContact OD1-NH2 3.21Å; D92-R112 PolarHBondContact OD1-NH2 3.5Å; D92-R112 IonicContact OD2-NH2 2.7Å; R112-S114 PolarHBondContact O-N 2.72Å |
| 113 | I | 87.6 | Confident | 88.4 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.6 | 169.6 | -64.4 | 176.5 | 0 | 0 | 0 | 108.3 | E37 L85 E90 | E37-I113 HydrophobicContact CB-CD1 4.44Å; E37-I113 HydrophobicContact CB-CG2 4.45Å; E37-I113 HydrophobicContact CG-CD1 4.32Å; L85-I113 HydrophobicContact CD1-CG1 4.19Å; L85-I113 HydrophobicContact CD2-CG1 3.84Å; L85-I113 HydrophobicContact CG-CG1 3.89Å; E90-I113 PolarHBondContact OE1-N 3.27Å |
| 114 | S | 86.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -72.9 | 142.4 | 179.5 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | Y34 G35 R112 L145 F193 | Y34-S114 VanDerWaalsContact CB-OG 3.3Å; Y34-S114 WeakPolarHBondContact CB-OG 3.3Å; G35-S114 PolarHBondContact N-OG 2.81Å; G35-S114 VanDerWaalsContact N-OG 3.09Å; G35-S114 WeakPolarHBondContact O-CB 3.24Å; G35-S114 PolarHBondContact O-N 2.98Å; G35-S114 PolarHBondContact O-OG 2.93Å; R112-S114 PolarHBondContact O-N 2.72Å; S114-L145 CarbonylContact C-O 3.52Å; S114-L145 WeakPolarHBondContact CA-O 3.41Å; S114-L145 WeakPolarHBondContact CB-O 3.36Å; S114-F193 VanDerWaalsContact OG-CE1 3.28Å; S114-F193 WeakPolarHBondContact OG-CE1 3.47Å; S114-F193 VanDerWaalsContact OG-CZ 3.27Å; S114-F193 WeakPolarHBondContact OG-CZ 3.47Å | ||
| 115 | F | 85.9 | Confident | 89.1 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162.8 | 171.1 | 66.2 | -92.1 | 0 | 0 | 0 | 112.3 | F143 G144 L145 | F115-F143 AromaticContact CE2-CD1 3.89Å; F115-F143 HydrophobicContact CE2-CD1 3.89Å; F115-F143 HydrophobicContact CE2-CE1 4.07Å; F115-F143 HydrophobicContact CZ-CD1 4.11Å; F115-F143 AromaticContact CZ-CE1 3.8Å; F115-F143 HydrophobicContact CZ-CE1 3.8Å; F115-G144 CarbonylContact O-C 3.58Å; F115-G144 WeakPolarHBondContact O-CA 3.17Å; F115-L145 HydrophobicContact CD1-CB 4.47Å; F115-L145 HydrophobicContact CE1-CB 4.17Å; F115-L145 HydrophobicContact CE1-CD1 3.8Å; F115-L145 HydrophobicContact CE1-CG 4.39Å; F115-L145 HydrophobicContact CZ-CD1 4.04Å; F115-L145 HydrophobicContact CZ-CG 4.49Å; F115-L145 PolarHBondContact N-O 2.68Å; F115-L145 PolarHBondContact O-N 2.98Å |
| 116 | L | 87.5 | Confident | 89.3 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 121.5 | 168.7 | -176.7 | 60.5 | 0 | 0 | 0 | 108.9 | P142 P148 A190 Y195 R197 | L116-P142 HydrophobicContact CD1-CB 3.88Å; L116-P142 HydrophobicContact CD1-CG 4.24Å; L116-P142 HydrophobicContact CG-CB 4.35Å; L116-P148 HydrophobicContact CD1-CB 3.87Å; L116-P148 HydrophobicContact CD1-CG 3.71Å; L116-A190 HydrophobicContact CD2-CB 4.46Å; L116-Y195 HydrophobicContact CB-CD2 4.14Å; L116-Y195 HydrophobicContact CB-CG 4.08Å; L116-R197 HydrophobicContact CD2-CB 4.37Å; L116-R197 HydrophobicContact CD2-CG 3.72Å; L116-R197 HydrophobicContact CG-CG 4.16Å |
| 117 | S | 86.7 | Confident | 89.2 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | trans | -59.3 | 154.1 | -179.6 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | P142 F143 | S117-P142 WeakPolarHBondContact O-CB 3.48Å; S117-F143 WeakPolarHBondContact CB-O 3.49Å; S117-F143 PolarHBondContact N-O 2.87Å | ||
| 118 | E | 84.3 | Confident | 89.1 | Confident | 156 Ų | 156 | 67.1 Ų | 67.1 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -71 | -32.3 | -174 | -60.4 | -173.1 | 146.4 | 0 | 0 | 113.5 | ||
| 119 | K | 85 | Confident | 89 | Confident | 159 Ų | 159 | 63 Ų | 63 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -112 | 132.2 | -169.3 | -62.1 | -178.6 | -177.6 | 178.3 | 0 | 111.1 | P142 | K119-P142 WeakPolarHBondContact O-CA 3.33Å; K119-P142 VanDerWaalsContact O-CB 3.27Å; K119-P142 WeakPolarHBondContact O-CB 3.49Å |
| 120 | F | 90.6 | Very high | 88.7 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | trans | -61.2 | 145.8 | 167.8 | -79.8 | -105.6 | 0 | 0 | 0 | 110 | L122 E123 P142 C188 A190 R197 E198 | F120-L122 VanDerWaalsContact C-N 3.33Å; F120-E123 HydrophobicContact CB-CG 3.5Å; F120-E123 HydrophobicContact CD2-CG 4.48Å; F120-E123 HydrophobicContact CG-CG 4.05Å; F120-P142 HydrophobicContact CD1-CG 4.47Å; F120-P142 HydrophobicContact CD2-CG 3.96Å; F120-P142 HydrophobicContact CE2-CG 4.19Å; F120-P142 HydrophobicContact CG-CG 4.1Å; F120-C188 HydrophobicContact CE1-CB 4.39Å; F120-A190 HydrophobicContact CE1-CB 4.05Å; F120-A190 HydrophobicContact CZ-CB 3.88Å; F120-R197 HydrophobicContact CE2-CB 3.83Å; F120-R197 HydrophobicContact CZ-CB 4.29Å; F120-E198 WeakPolarHBondContact CE2-O 3.45Å | ||
| 121 | K | 87.9 | Confident | 88.2 | Confident | 170 Ų | 170 | 68.8 Ų | 68.8 | 74% | 0.739 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -75.1 | -27.9 | 175.8 | 176.7 | 171.2 | 170.3 | -174.4 | 0 | 111.8 | I140 P141 | K121-I140 HydrophobicContact CB-CB 4.07Å; K121-I140 HydrophobicContact CB-CG2 3.89Å; K121-I140 HydrophobicContact CD-CG2 3.95Å; K121-I140 HydrophobicContact CG-CB 4.39Å; K121-I140 HydrophobicContact CG-CG2 4.11Å; K121-I140 PolarHBondContact N-O 3.36Å; K121-P141 PolarHBondContact N-O 2.81Å |
| 122 | L | 90.7 | Very high | 87.7 | Confident | 66 Ų | 66 | 71 Ų | 71 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -151.3 | 128.5 | 167.9 | -179.4 | 61.3 | 0 | 0 | 0 | 108.9 | F120 E138 I140 | F120-L122 VanDerWaalsContact C-N 3.33Å; L122-E138 HydrophobicContact CD2-CB 3.86Å; L122-I140 HydrophobicContact CB-CB 3.94Å; L122-I140 HydrophobicContact CB-CD1 3.86Å; L122-I140 HydrophobicContact CB-CG1 3.79Å; L122-I140 HydrophobicContact CD2-CD1 4.06Å; L122-I140 HydrophobicContact CD2-CG1 4.26Å; L122-I140 PolarHBondContact N-O 3.09Å; L122-I140 PolarHBondContact O-N 2.73Å |
| 123 | E | 91.7 | Very high | 87.5 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | trans | -101.8 | 145.6 | 175.7 | -66.6 | -171 | -158.2 | 0 | 0 | 111.1 | F120 Q125 S200 | F120-E123 HydrophobicContact CB-CG 3.5Å; F120-E123 HydrophobicContact CD2-CG 4.48Å; F120-E123 HydrophobicContact CG-CG 4.05Å; E123-Q125 PolarHBondContact O-NE2 2.98Å; E123-S200 WeakPolarHBondContact OE2-CB 3.33Å; E123-S200 PolarHBondContact OE2-N 3.13Å; E123-S200 PolarHBondContact OE2-OG 2.8Å | ||
| 124 | P | 93.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.019 | 37% | 0.372 | C | S | . | . | trans | -62.8 | 143.2 | -179.3 | 28.2 | -35.7 | 0 | 0 | 0 | 111.7 | E138 W152 C188 S199 A202 | P124-E138 WeakPolarHBondContact CA-O 3.06Å; P124-E138 WeakPolarHBondContact CB-O 3.43Å; P124-W152 HydrophobicContact CB-CH2 3.9Å; P124-W152 HydrophobicContact CB-CZ3 4.08Å; P124-W152 HydrophobicContact CG-CH2 4.25Å; P124-W152 HydrophobicContact CG-CZ3 4.2Å; P124-C188 HydrophobicContact CG-CB 4.36Å; P124-S199 WeakPolarHBondContact CD-OG 3.4Å; P124-S199 WeakPolarHBondContact CG-OG 3.46Å; P124-A202 HydrophobicContact CB-CB 3.74Å; P124-A202 HydrophobicContact CG-CB 4.09Å | ||
| 125 | Q | 92.8 | Very high | 87.8 | Confident | 127 Ų | 127 | 72.5 Ų | 72.5 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | trans | -111 | 151.7 | -176.8 | -60.3 | -56.7 | -54.5 | 0 | 0 | 111.3 | E123 K127 | E123-Q125 PolarHBondContact O-NE2 2.98Å; Q125-K127 PolarHBondContact O-N 2.85Å | ||
| 126 | N | 93 | Very high | 88.1 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | trans | -56.1 | 128.6 | 173.6 | -66.2 | -16.9 | 0 | 0 | 0 | 110.1 | Y203 | N126-Y203 VanDerWaalsContact CA-O 3.31Å; N126-Y203 WeakPolarHBondContact CA-O 3.3Å; N126-Y203 PolarHBondContact OD1-N 3.03Å | ||
| 127 | K | 89.9 | Confident | 88.4 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 30% | 0.3 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.9 | -170.6 | -155.8 | 155 | -173.9 | 164.2 | 0 | 111.3 | Q125 V129 V135 L136 L137 E138 Y203 L204 T205 | Q125-K127 PolarHBondContact O-N 2.85Å; K127-V129 HydrophobicContact CG-CG1 4.36Å; K127-V135 HydrophobicContact CD-CG2 3.76Å; K127-V135 HydrophobicContact CG-CG2 4.16Å; K127-L136 WeakPolarHBondContact CD-O 3.43Å; K127-L136 WeakPolarHBondContact CE-O 3.18Å; K127-L136 PolarHBondContact NZ-O 2.7Å; K127-L137 HydrophobicContact CB-CD2 4.18Å; K127-L137 HydrophobicContact CD-CD2 4.32Å; K127-E138 IonicContact NZ-OE2 3.45Å; K127-Y203 PolarHBondContact N-O 3.37Å; K127-L204 HydrophobicContact CB-CD1 4.31Å; K127-T205 PolarHBondContact O-N 2.78Å |
| 128 | V | 88.8 | Confident | 88.7 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123 | -176 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | T205 R207 | V128-T205 WeakPolarHBondContact CA-O 3.27Å; V128-T205 HydrophobicContact CG1-CG2 4.35Å; V128-R207 HydrophobicContact CG1-CG 3.78Å; V128-R207 VanDerWaalsContact CG1-NE 3.31Å |
| 129 | V | 87.3 | Confident | 89.1 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 161.8 | -170.1 | -66.8 | 0 | 0 | 0 | 0 | 110.4 | K127 V135 I178 L204 T205 V206 R207 | K127-V129 HydrophobicContact CG-CG1 4.36Å; V129-V135 HydrophobicContact CG1-CB 4.09Å; V129-V135 HydrophobicContact CG1-CG2 3.83Å; V129-V135 HydrophobicContact CG2-CB 4.47Å; V129-I178 HydrophobicContact CG2-CD1 3.71Å; V129-I178 HydrophobicContact CG2-CG2 4.36Å; V129-L204 HydrophobicContact CG2-CD1 3.82Å; V129-T205 PolarHBondContact N-O 2.89Å; V129-T205 VanDerWaalsContact N-O 3.1Å; V129-V206 HydrophobicContact CG2-CG2 4.49Å; V129-V206 CarbonylContact O-C 3.58Å; V129-V206 WeakPolarHBondContact O-CA 3.39Å; V129-R207 WeakPolarHBondContact O-CB 3.41Å; V129-R207 PolarHBondContact O-N 2.9Å |
| 130 | N | 83.7 | Confident | 89.4 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 154.2 | -177.9 | -41.7 | -85.1 | 0 | 0 | 0 | 111 | G132 D133 I178 | N130-G132 PolarHBondContact O-N 3.46Å; N130-D133 WeakPolarHBondContact CA-OD2 3.38Å; N130-D133 VanDerWaalsContact CB-OD2 3.31Å; N130-D133 WeakPolarHBondContact CB-OD2 3.39Å; N130-D133 PolarHBondContact N-OD2 3.07Å; N130-D133 PolarHBondContact ND2-OD2 2.72Å; N130-D133 WeakPolarHBondContact O-CB 3.45Å; N130-D133 PolarHBondContact O-N 3.24Å; N130-D133 VanDerWaalsContact O-N 3.12Å; N130-I178 WeakPolarHBondContact O-CG2 3.35Å |
| 131 | I | 79.2 | Confident | 89.4 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.4 | 172.9 | -64.2 | 176.3 | 0 | 0 | 0 | 110.5 | W180 V206 R207 Q208 | I131-W180 HydrophobicContact CD1-CB 4.25Å; I131-V206 HydrophobicContact CG1-CG1 3.58Å; I131-R207 PolarHBondContact N-O 2.87Å; I131-Q208 HydrophobicContact CD1-CB 3.95Å; I131-Q208 HydrophobicContact CD1-CG 3.72Å |
| 132 | G | 79.6 | Confident | 89.5 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 47% | 0.474 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | -19.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N130 I178 | N130-G132 PolarHBondContact O-N 3.46Å; G132-I178 PolarHBondContact N-O 3.32Å |
| 133 | D | 85 | Confident | 89.3 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | trans | -63.6 | 159.2 | 175.5 | -64.5 | -18.3 | 0 | 0 | 0 | 111.6 | N130 R177 I178 | N130-D133 WeakPolarHBondContact CA-OD2 3.38Å; N130-D133 VanDerWaalsContact CB-OD2 3.31Å; N130-D133 WeakPolarHBondContact CB-OD2 3.39Å; N130-D133 PolarHBondContact N-OD2 3.07Å; N130-D133 PolarHBondContact ND2-OD2 2.72Å; N130-D133 WeakPolarHBondContact O-CB 3.45Å; N130-D133 PolarHBondContact O-N 3.24Å; N130-D133 VanDerWaalsContact O-N 3.12Å; D133-R177 PolarHBondContact O-N 3.2Å; D133-I178 HydrophobicContact CB-CG2 4.29Å; D133-I178 WeakPolarHBondContact O-CB 3.43Å; D133-I178 VanDerWaalsContact O-CG2 3.28Å; D133-I178 WeakPolarHBondContact O-CG2 3.35Å; D133-I178 PolarHBondContact O-N 3.17Å | ||
| 134 | T | 88.4 | Confident | 89 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | trans | -96.8 | 129.6 | 163.2 | -68.4 | 0 | 0 | 0 | 0 | 108.7 | R174 I175 D176 | T134-R174 HydrophobicContact CG2-CG 4.13Å; T134-I175 CarbonylContact C-O 3.54Å; T134-I175 WeakPolarHBondContact CA-O 3.44Å; T134-D176 WeakPolarHBondContact CB-OD1 3.42Å; T134-D176 WeakPolarHBondContact CG2-OD1 3.41Å; T134-D176 WeakPolarHBondContact OG1-CA 3.41Å; T134-D176 PolarHBondContact OG1-OD1 3.48Å | ||
| 135 | V | 91.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.1 | 176.9 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | K127 V129 R174 I175 I178 L204 | K127-V135 HydrophobicContact CD-CG2 3.76Å; K127-V135 HydrophobicContact CG-CG2 4.16Å; V129-V135 HydrophobicContact CG1-CB 4.09Å; V129-V135 HydrophobicContact CG1-CG2 3.83Å; V129-V135 HydrophobicContact CG2-CB 4.47Å; V135-R174 WeakPolarHBondContact O-CA 3.44Å; V135-I175 HydrophobicContact CG1-CB 3.76Å; V135-I175 HydrophobicContact CG1-CD1 4.3Å; V135-I175 HydrophobicContact CG1-CG1 4.2Å; V135-I175 PolarHBondContact N-O 3.39Å; V135-I175 PolarHBondContact O-N 3.33Å; V135-I178 HydrophobicContact CB-CD1 4.48Å; V135-I178 HydrophobicContact CG1-CD1 3.6Å; V135-L204 HydrophobicContact CG1-CD1 4.41Å; V135-L204 HydrophobicContact CG1-CD2 4.3Å; V135-L204 HydrophobicContact CG2-CD1 4.23Å |
| 136 | L | 92.5 | Very high | 88.2 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.3 | 166 | -175.7 | 66.5 | 0 | 0 | 0 | 108.6 | K127 E138 M168 L173 R174 | K127-L136 WeakPolarHBondContact CD-O 3.43Å; K127-L136 WeakPolarHBondContact CE-O 3.18Å; K127-L136 PolarHBondContact NZ-O 2.7Å; L136-E138 HydrophobicContact CD2-CG 4.03Å; L136-E138 HydrophobicContact CG-CG 4.1Å; L136-M168 HydrophobicContact CD1-SD 3.6Å; L136-M168 VanDerWaalsContact CD1-SD 3.6Å; L136-L173 WeakPolarHBondContact CA-O 3.41Å; L136-R174 HydrophobicContact CD1-CB 4.19Å |
| 137 | L | 94.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.8 | 166.7 | -66.9 | 176.8 | 0 | 0 | 0 | 107.9 | K127 W152 S172 L173 Y186 L204 | K127-L137 HydrophobicContact CB-CD2 4.18Å; K127-L137 HydrophobicContact CD-CD2 4.32Å; L137-W152 HydrophobicContact CB-CH2 3.66Å; L137-W152 HydrophobicContact CB-CZ2 4.46Å; L137-W152 HydrophobicContact CB-CZ3 3.95Å; L137-W152 HydrophobicContact CD1-CZ3 4.26Å; L137-W152 WeakPolarHBondContact O-CH2 3.47Å; L137-W152 WeakPolarHBondContact O-CZ2 3.39Å; L137-S172 CarbonylContact O-C 3.51Å; L137-S172 WeakPolarHBondContact O-CA 3.15Å; L137-S172 WeakPolarHBondContact O-CB 3.27Å; L137-L173 HydrophobicContact CB-CB 4.45Å; L137-L173 HydrophobicContact CD1-CD2 4.48Å; L137-L173 PolarHBondContact N-O 3.43Å; L137-L173 PolarHBondContact O-N 3.03Å; L137-Y186 HydrophobicContact CD1-CD1 3.65Å; L137-Y186 HydrophobicContact CD1-CD2 4.05Å; L137-Y186 HydrophobicContact CD1-CE1 4.15Å; L137-Y186 HydrophobicContact CD1-CG 3.6Å; L137-L204 HydrophobicContact CD1-CD2 4.43Å |
| 138 | E | 92.8 | Very high | 87.8 | Confident | 94 Ų | 94 | 47.9 Ų | 47.9 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | trans | -84.1 | 132.7 | -171.8 | -67.2 | 161.8 | 107.8 | 0 | 0 | 110.9 | L122 P124 K127 L136 S172 | L122-E138 HydrophobicContact CD2-CB 3.86Å; P124-E138 WeakPolarHBondContact CA-O 3.06Å; P124-E138 WeakPolarHBondContact CB-O 3.43Å; K127-E138 IonicContact NZ-OE2 3.45Å; L136-E138 HydrophobicContact CD2-CG 4.03Å; L136-E138 HydrophobicContact CG-CG 4.1Å; E138-S172 WeakPolarHBondContact CA-OG 3.3Å | ||
| 139 | C | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -146.3 | 137.7 | 171.4 | 179 | 0 | 0 | 0 | 0 | 108.8 | W152 G171 S172 C188 | C139-W152 HydrophobicContact CB-CH2 3.85Å; C139-W152 HydrophobicContact CB-CZ2 3.4Å; C139-W152 VanDerWaalsContact CB-CZ2 3.4Å; C139-G171 CarbonylContact O-C 3.55Å; C139-S172 PolarHBondContact N-OG 3.04Å; C139-S172 PolarHBondContact O-OG 3.37Å; C139-C188 HydrophobicContact CB-CB 3.68Å; C139-C188 WeakPolarHBondContact CB-SG 3.42Å; C139-C188 WeakPolarHBondContact SG-CB 3.4Å; C139-C188 CovalentContact SG-SG 2.03Å; C139-C188 PolarHBondContact SG-SG 3.23Å | ||
| 140 | I | 91.6 | Very high | 88 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -130.4 | 120.8 | 171.1 | -51.7 | 173.5 | 0 | 0 | 0 | 107.7 | K121 L122 V170 | K121-I140 HydrophobicContact CB-CB 4.07Å; K121-I140 HydrophobicContact CB-CG2 3.89Å; K121-I140 HydrophobicContact CD-CG2 3.95Å; K121-I140 HydrophobicContact CG-CB 4.39Å; K121-I140 HydrophobicContact CG-CG2 4.11Å; K121-I140 PolarHBondContact N-O 3.36Å; L122-I140 HydrophobicContact CB-CB 3.94Å; L122-I140 HydrophobicContact CB-CD1 3.86Å; L122-I140 HydrophobicContact CB-CG1 3.79Å; L122-I140 HydrophobicContact CD2-CD1 4.06Å; L122-I140 HydrophobicContact CD2-CG1 4.26Å; L122-I140 PolarHBondContact N-O 3.09Å; L122-I140 PolarHBondContact O-N 2.73Å; I140-V170 HydrophobicContact CG1-CG1 4.15Å |
| 141 | P | 90.1 | Very high | 88.4 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 162.7 | -174.6 | 14.4 | -25.9 | 0 | 0 | 0 | 114.2 | K121 P148 I150 A190 | K121-P141 PolarHBondContact N-O 2.81Å; P141-P148 HydrophobicContact CB-CG 3.67Å; P141-P148 HydrophobicContact CG-CG 4.26Å; P141-I150 HydrophobicContact CB-CD1 3.72Å; P141-I150 HydrophobicContact CB-CG1 4.38Å; P141-I150 HydrophobicContact CG-CD1 3.97Å; P141-I150 HydrophobicContact CG-CG1 4.09Å; P141-A190 HydrophobicContact CB-CB 4.19Å |
| 142 | P | 90.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -59 | 149.4 | 161.3 | -13.7 | 27.8 | 0 | 0 | 0 | 110.5 | L116 S117 K119 F120 P148 A190 R197 | L116-P142 HydrophobicContact CD1-CB 3.88Å; L116-P142 HydrophobicContact CD1-CG 4.24Å; L116-P142 HydrophobicContact CG-CB 4.35Å; S117-P142 WeakPolarHBondContact O-CB 3.48Å; K119-P142 WeakPolarHBondContact O-CA 3.33Å; K119-P142 VanDerWaalsContact O-CB 3.27Å; K119-P142 WeakPolarHBondContact O-CB 3.49Å; F120-P142 HydrophobicContact CD1-CG 4.47Å; F120-P142 HydrophobicContact CD2-CG 3.96Å; F120-P142 HydrophobicContact CE2-CG 4.19Å; F120-P142 HydrophobicContact CG-CG 4.1Å; P142-P148 WeakPolarHBondContact O-CG 3.42Å; P142-A190 HydrophobicContact CG-CB 4.38Å; P142-R197 HydrophobicContact CG-CB 4.43Å; P142-R197 HydrophobicContact CG-CG 4.46Å |
| 143 | F | 87.3 | Confident | 89.8 | Confident | 142 Ų | 142 | 42.7 Ų | 42.7 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -65.4 | 139.8 | 171.4 | -178.3 | -116.7 | 0 | 0 | 0 | 110.5 | F115 S117 | F115-F143 AromaticContact CE2-CD1 3.89Å; F115-F143 HydrophobicContact CE2-CD1 3.89Å; F115-F143 HydrophobicContact CE2-CE1 4.07Å; F115-F143 HydrophobicContact CZ-CD1 4.11Å; F115-F143 AromaticContact CZ-CE1 3.8Å; F115-F143 HydrophobicContact CZ-CE1 3.8Å; S117-F143 WeakPolarHBondContact CB-O 3.49Å; S117-F143 PolarHBondContact N-O 2.87Å |
| 144 | G | 85.3 | Confident | 90 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 159 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F115 P146 S147 | F115-G144 CarbonylContact O-C 3.58Å; F115-G144 WeakPolarHBondContact O-CA 3.17Å; G144-P146 CarbonylContact C-O 3.51Å; G144-P146 CarbonylContact O-C 3.51Å; G144-S147 WeakPolarHBondContact O-CA 3.19Å; G144-S147 PolarHBondContact O-N 2.66Å |
| 145 | L | 83.6 | Confident | 89.9 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125 | 177.2 | -81.3 | 163.1 | 0 | 0 | 0 | 108.1 | Y34 S114 F115 | Y34-L145 HydrophobicContact CE1-CD2 4.26Å; S114-L145 CarbonylContact C-O 3.52Å; S114-L145 WeakPolarHBondContact CA-O 3.41Å; S114-L145 WeakPolarHBondContact CB-O 3.36Å; F115-L145 HydrophobicContact CD1-CB 4.47Å; F115-L145 HydrophobicContact CE1-CB 4.17Å; F115-L145 HydrophobicContact CE1-CD1 3.8Å; F115-L145 HydrophobicContact CE1-CG 4.39Å; F115-L145 HydrophobicContact CZ-CD1 4.04Å; F115-L145 HydrophobicContact CZ-CG 4.49Å; F115-L145 PolarHBondContact N-O 2.68Å; F115-L145 PolarHBondContact O-N 2.98Å |
| 146 | P | 84.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | S | Bend | cis | -60.7 | 158.8 | -15.4 | 31.3 | -35.3 | 0 | 0 | 0 | 110.6 | Y34 G144 S192 | Y34-P146 HydrophobicContact CD1-CB 4.43Å; Y34-P146 HydrophobicContact CD2-CB 4.02Å; Y34-P146 HydrophobicContact CD2-CG 4.25Å; Y34-P146 HydrophobicContact CE1-CB 4.48Å; Y34-P146 HydrophobicContact CE2-CB 4.06Å; Y34-P146 HydrophobicContact CG-CB 4.22Å; Y34-P146 HydrophobicContact CG-CG 4.21Å; G144-P146 CarbonylContact C-O 3.51Å; G144-P146 CarbonylContact O-C 3.51Å; P146-S192 PolarHBondContact O-OG 3.5Å |
| 147 | S | 86.7 | Confident | 89.1 | Confident | 96 Ų | 96 | 49.1 Ų | 49.1 | 67% | 0.671 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 131.7 | -174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | G144 | G144-S147 WeakPolarHBondContact O-CA 3.19Å; G144-S147 PolarHBondContact O-N 2.66Å |
| 148 | P | 88.9 | Confident | 88.7 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 143.2 | -172.4 | 30 | -37.3 | 0 | 0 | 0 | 112.5 | L116 P141 P142 A190 K191 | L116-P148 HydrophobicContact CD1-CB 3.87Å; L116-P148 HydrophobicContact CD1-CG 3.71Å; P141-P148 HydrophobicContact CB-CG 3.67Å; P141-P148 HydrophobicContact CG-CG 4.26Å; P142-P148 WeakPolarHBondContact O-CG 3.42Å; P148-A190 HydrophobicContact CB-CB 4.25Å; P148-K191 CarbonylContact C-O 3.56Å; P148-K191 WeakPolarHBondContact CA-O 3.45Å |
| 149 | T | 89.2 | Confident | 88.3 | Confident | 92 Ų | 92 | 49.5 Ų | 49.5 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 151.1 | 168.4 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | A190 K191 | T149-A190 WeakPolarHBondContact O-CA 3.43Å; T149-K191 PolarHBondContact N-O 3.44Å; T149-K191 PolarHBondContact O-N 3.24Å; T149-K191 WeakPolarHBondContact OG1-CB 2.83Å; T149-K191 PolarHBondContact OG1-O 2.73Å |
| 150 | I | 91 | Very high | 87.8 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.3 | 178.3 | -69.4 | -60.5 | 0 | 0 | 0 | 111.3 | P141 I167 G171 V189 A190 | P141-I150 HydrophobicContact CB-CD1 3.72Å; P141-I150 HydrophobicContact CB-CG1 4.38Å; P141-I150 HydrophobicContact CG-CD1 3.97Å; P141-I150 HydrophobicContact CG-CG1 4.09Å; I150-I167 HydrophobicContact CG2-CG2 4.5Å; I150-G171 WeakPolarHBondContact CG2-O 3.29Å; I150-V189 WeakPolarHBondContact CA-O 3.27Å; I150-A190 HydrophobicContact CD1-CB 4Å |
| 151 | E | 91.2 | Very high | 87.4 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.9 | 168.3 | 172.5 | -178.3 | -147 | 0 | 0 | 109.2 | L153 S158 V189 K191 | E151-L153 HydrophobicContact CG-CD2 4.29Å; E151-S158 VanDerWaalsContact OE1-CB 3.31Å; E151-S158 WeakPolarHBondContact OE1-CB 3.36Å; E151-S158 PolarHBondContact OE1-OG 3.39Å; E151-V189 HydrophobicContact CB-CB 4.3Å; E151-V189 PolarHBondContact N-O 2.73Å; E151-V189 PolarHBondContact O-N 3.36Å; E151-K191 IonicContact OE1-NZ 2.62Å; E151-K191 WeakPolarHBondContact OE2-CE 3.3Å; E151-K191 IonicContact OE2-NZ 3.13Å; E151-K191 PolarHBondContact OE2-NZ 2.84Å |
| 152 | W | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.1 | 173.3 | -76 | 81.3 | 0 | 0 | 0 | 111.4 | P124 L137 C139 L159 G171 L173 Y186 C188 | P124-W152 HydrophobicContact CB-CH2 3.9Å; P124-W152 HydrophobicContact CB-CZ3 4.08Å; P124-W152 HydrophobicContact CG-CH2 4.25Å; P124-W152 HydrophobicContact CG-CZ3 4.2Å; L137-W152 HydrophobicContact CB-CH2 3.66Å; L137-W152 HydrophobicContact CB-CZ2 4.46Å; L137-W152 HydrophobicContact CB-CZ3 3.95Å; L137-W152 HydrophobicContact CD1-CZ3 4.26Å; L137-W152 WeakPolarHBondContact O-CH2 3.47Å; L137-W152 WeakPolarHBondContact O-CZ2 3.39Å; C139-W152 HydrophobicContact CB-CH2 3.85Å; C139-W152 HydrophobicContact CB-CZ2 3.4Å; C139-W152 VanDerWaalsContact CB-CZ2 3.4Å; W152-L159 HydrophobicContact CB-CD1 4.11Å; W152-L159 PolarHBondContact O-N 3.05Å; W152-G171 PolarHBondContact NE1-O 2.67Å; W152-L173 HydrophobicContact CB-CD2 4.19Å; W152-L173 HydrophobicContact CD2-CB 3.65Å; W152-L173 HydrophobicContact CD2-CD2 3.96Å; W152-L173 HydrophobicContact CD2-CG 4.44Å; W152-L173 VanDerWaalsContact CE2-CB 3.44Å; W152-L173 HydrophobicContact CE3-CB 4.19Å; W152-L173 HydrophobicContact CE3-CD2 4.04Å; W152-L173 HydrophobicContact CG-CB 3.98Å; W152-L173 HydrophobicContact CG-CD2 4.04Å; W152-L173 HydrophobicContact CH2-CB 4.27Å; W152-L173 HydrophobicContact CZ2-CB 3.77Å; W152-L173 HydrophobicContact CZ3-CB 4.47Å; W152-Y186 HydrophobicContact CE3-CD1 4.48Å; W152-C188 HydrophobicContact CD2-CB 4.38Å; W152-C188 HydrophobicContact CE3-CB 4.33Å; W152-C188 HydrophobicContact CH2-CB 4.16Å; W152-C188 HydrophobicContact CZ2-CB 4.17Å; W152-C188 HydrophobicContact CZ3-CB 4.23Å |
| 153 | L | 93.4 | Very high | 86.8 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.4 | 171.5 | -48.4 | -179.9 | 0 | 0 | 0 | 109.4 | E151 S157 S158 Y186 T187 V189 | E151-L153 HydrophobicContact CG-CD2 4.29Å; L153-S157 CarbonylContact C-O 3.51Å; L153-S157 VanDerWaalsContact CA-O 3.28Å; L153-S157 WeakPolarHBondContact CA-O 3.35Å; L153-S158 WeakPolarHBondContact CD2-OG 3.37Å; L153-Y186 CarbonylContact O-C 3.58Å; L153-Y186 VanDerWaalsContact O-CA 3.31Å; L153-Y186 WeakPolarHBondContact O-CA 3.5Å; L153-T187 PolarHBondContact N-O 3.42Å; L153-T187 PolarHBondContact O-N 3.41Å; L153-V189 HydrophobicContact CD1-CG2 3.83Å; L153-V189 HydrophobicContact CG-CG2 3.78Å |
| 154 | K | 90.9 | Very high | 86.9 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.4 | 158.8 | -176.2 | -176.1 | -167.5 | -87.6 | 0 | 107.7 | N156 S157 L159 Q181 D182 S183 H185 Y186 | K154-N156 PolarHBondContact O-N 2.92Å; K154-S157 PolarHBondContact N-O 2.7Å; K154-S157 WeakPolarHBondContact O-CA 3.17Å; K154-S157 WeakPolarHBondContact O-CB 3.45Å; K154-S157 PolarHBondContact O-N 2.88Å; K154-L159 HydrophobicContact CB-CD1 4.16Å; K154-L159 HydrophobicContact CB-CD2 3.78Å; K154-L159 HydrophobicContact CB-CG 4.09Å; K154-Q181 PolarHBondContact NZ-O 3.17Å; K154-D182 WeakPolarHBondContact CE-O 3.24Å; K154-S183 WeakPolarHBondContact CE-O 3.44Å; K154-S183 PolarHBondContact NZ-O 3.05Å; K154-H185 CarbonylContact C-O 3.58Å; K154-H185 WeakPolarHBondContact CA-O 3.47Å; K154-Y186 HydrophobicContact CB-CD1 4.41Å; K154-Y186 HydrophobicContact CB-CE1 4.2Å; K154-Y186 HydrophobicContact CD-CE1 4.43Å; K154-Y186 HydrophobicContact CD-CE2 4.15Å; K154-Y186 HydrophobicContact CG-CE1 4.35Å; K154-Y186 HydrophobicContact CG-CE2 4.08Å |
| 155 | E | 85.5 | Confident | 87.1 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 47 | 177.1 | -71 | 149.2 | 170.4 | 0 | 0 | 112.3 | S157 G184 H185 | E155-S157 PolarHBondContact O-N 2.69Å; E155-S157 VanDerWaalsContact O-N 3.15Å; E155-G184 VanDerWaalsContact OE1-CA 3.3Å; E155-G184 WeakPolarHBondContact OE1-CA 2.89Å; E155-H185 PolarHBondContact N-O 2.88Å |
| 156 | N | 81.1 | Confident | 87.4 | Confident | 113 Ų | 113 | 65 Ų | 65 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 1.9 | -175.1 | -47.2 | -24 | 0 | 0 | 0 | 115.9 | K154 K201 | K154-N156 PolarHBondContact O-N 2.92Å; N156-K201 PolarHBondContact OD1-NZ 3.47Å |
| 157 | S | 86.6 | Confident | 87.6 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 57% | 0.566 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.6 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L153 K154 E155 L159 | L153-S157 CarbonylContact C-O 3.51Å; L153-S157 VanDerWaalsContact CA-O 3.28Å; L153-S157 WeakPolarHBondContact CA-O 3.35Å; K154-S157 PolarHBondContact N-O 2.7Å; K154-S157 WeakPolarHBondContact O-CA 3.17Å; K154-S157 WeakPolarHBondContact O-CB 3.45Å; K154-S157 PolarHBondContact O-N 2.88Å; E155-S157 PolarHBondContact O-N 2.69Å; E155-S157 VanDerWaalsContact O-N 3.15Å; S157-L159 PolarHBondContact O-N 2.85Å |
| 158 | S | 85.1 | Confident | 87.6 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.1 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | E151 L153 | E151-S158 VanDerWaalsContact OE1-CB 3.31Å; E151-S158 WeakPolarHBondContact OE1-CB 3.36Å; E151-S158 PolarHBondContact OE1-OG 3.39Å; L153-S158 WeakPolarHBondContact CD2-OG 3.37Å |
| 159 | L | 85.2 | Confident | 87.2 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 121.7 | 177.2 | -67.2 | 175.5 | 0 | 0 | 0 | 111 | W152 K154 S157 P161 L165 L173 Y186 | W152-L159 HydrophobicContact CB-CD1 4.11Å; W152-L159 PolarHBondContact O-N 3.05Å; K154-L159 HydrophobicContact CB-CD1 4.16Å; K154-L159 HydrophobicContact CB-CD2 3.78Å; K154-L159 HydrophobicContact CB-CG 4.09Å; S157-L159 PolarHBondContact O-N 2.85Å; L159-P161 WeakPolarHBondContact O-CD 3.25Å; L159-L165 HydrophobicContact CD2-CD1 4.41Å; L159-L173 HydrophobicContact CD1-CD2 3.66Å; L159-Y186 HydrophobicContact CD1-CD1 3.93Å; L159-Y186 HydrophobicContact CD1-CE1 3.63Å |
| 160 | L | 82.1 | Confident | 86.6 | Confident | 143 Ų | 143 | 73 Ų | 73 | 75% | 0.749 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 122.3 | 171.7 | -65 | 175.5 | 0 | 0 | 0 | 110.4 | N162 | L160-N162 PolarHBondContact O-ND2 3.11Š|
| 161 | P | 82.8 | Confident | 86.3 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.3 | 174.9 | -24.9 | 35.3 | 0 | 0 | 0 | 112.5 | L159 L165 I167 | L159-P161 WeakPolarHBondContact O-CD 3.25Å; P161-L165 CarbonylContact C-O 3.59Å; P161-L165 VanDerWaalsContact CA-O 3.26Å; P161-L165 WeakPolarHBondContact CA-O 3.41Å; P161-I167 HydrophobicContact CG-CD1 4.01Å; P161-I167 HydrophobicContact CG-CG1 4.33Å |
| 162 | N | 85.9 | Confident | 86.4 | Confident | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | trans | -157.8 | -176.1 | 179.5 | 60.6 | 60.3 | 0 | 0 | 0 | 110.4 | L160 R164 L165 | L160-N162 PolarHBondContact O-ND2 3.11Å; N162-R164 PolarHBondContact O-N 2.87Å; N162-R164 WeakPolarHBondContact OD1-CA 3.32Å; N162-R164 VanDerWaalsContact OD1-CB 3.32Å; N162-R164 WeakPolarHBondContact OD1-CB 3.42Å; N162-R164 PolarHBondContact OD1-N 2.82Å; N162-L165 PolarHBondContact N-O 3.26Å; N162-L165 CarbonylContact O-C 3.3Å; N162-L165 PolarHBondContact O-N 3.01Å; N162-L165 PolarHBondContact OD1-N 3.47Å | ||
| 163 | N | 82.8 | Confident | 86.3 | Confident | 142 Ų | 142 | 70.1 Ų | 70.1 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -70 | 18.8 | -178.7 | -159.2 | 27 | 0 | 0 | 0 | 115.2 | ||
| 164 | R | 88.7 | Confident | 86.3 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -139.7 | -31.5 | 175.7 | -163.1 | 179.8 | 74.6 | 89.3 | -4.1 | 112.1 | N162 I175 D176 D182 | N162-R164 PolarHBondContact O-N 2.87Å; N162-R164 WeakPolarHBondContact OD1-CA 3.32Å; N162-R164 VanDerWaalsContact OD1-CB 3.32Å; N162-R164 WeakPolarHBondContact OD1-CB 3.42Å; N162-R164 PolarHBondContact OD1-N 2.82Å; R164-I175 WeakPolarHBondContact O-CA 3.41Å; R164-D176 WeakPolarHBondContact CD-O 3.45Å; R164-D176 HydrophobicContact CG-CB 4.46Å; R164-D176 WeakPolarHBondContact CG-O 3.49Å; R164-D176 PolarHBondContact NH1-O 3.19Å; R164-D176 PolarHBondContact O-N 2.87Å; R164-D182 IonicContact CZ-OD1 2.72Å; R164-D182 IonicContact CZ-OD2 3.32Å; R164-D182 IonicContact NH1-OD1 3.81Å; R164-D182 IonicContact NH1-OD2 3.57Å; R164-D182 PolarHBondContact NH1-OD2 2.94Å; R164-D182 IonicContact NH2-OD1 3.52Å; R164-D182 PolarHBondContact NH2-OD1 2.96Å; R164-D182 IonicContact NH2-OD2 2.7Å; R164-D182 PolarHBondContact NH2-OD2 3.33Å |
| 165 | L | 89.7 | Confident | 86.4 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 107.3 | 175.8 | -60.5 | 178.3 | 0 | 0 | 0 | 110 | L159 P161 N162 R174 I175 | L159-L165 HydrophobicContact CD2-CD1 4.41Å; P161-L165 CarbonylContact C-O 3.59Å; P161-L165 VanDerWaalsContact CA-O 3.26Å; P161-L165 WeakPolarHBondContact CA-O 3.41Å; N162-L165 PolarHBondContact N-O 3.26Å; N162-L165 CarbonylContact O-C 3.3Å; N162-L165 PolarHBondContact O-N 3.01Å; N162-L165 PolarHBondContact OD1-N 3.47Å; L165-R174 WeakPolarHBondContact CA-O 3.24Å; L165-I175 HydrophobicContact CD2-CB 4.08Å; L165-I175 HydrophobicContact CD2-CD1 4.02Å; L165-I175 HydrophobicContact CD2-CG1 3.64Å; L165-I175 HydrophobicContact CD2-CG2 3.76Å |
| 166 | Q | 88.8 | Confident | 86.6 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.3 | -177.4 | -63.6 | 177.3 | -5.2 | 0 | 0 | 110.4 | R174 | Q166-R174 HydrophobicContact CB-CB 4.3Å; Q166-R174 PolarHBondContact N-O 2.96Å; Q166-R174 PolarHBondContact O-N 3.35Å |
| 167 | I | 90.4 | Very high | 86.8 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 30% | 0.303 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.1 | 168.6 | -57 | 173.2 | 0 | 0 | 0 | 106.9 | I150 P161 L173 | I150-I167 HydrophobicContact CG2-CG2 4.5Å; P161-I167 HydrophobicContact CG-CD1 4.01Å; P161-I167 HydrophobicContact CG-CG1 4.33Å; I167-L173 HydrophobicContact CG1-CD1 4.31Å |
| 168 | M | 86.9 | Confident | 86.8 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | trans | -85.6 | 157.6 | 179.6 | -60.9 | -178.3 | 63.2 | 0 | 0 | 111.1 | L136 V170 G171 S172 | L136-M168 HydrophobicContact CD1-SD 3.6Å; L136-M168 VanDerWaalsContact CD1-SD 3.6Å; M168-V170 PolarHBondContact O-N 3.35Å; M168-G171 PolarHBondContact O-N 3.22Å; M168-S172 PolarHBondContact N-O 2.76Å | ||
| 169 | D | 79 | Confident | 86.9 | Confident | 178 Ų | 178 | 66.6 Ų | 66.6 | 95% | 0.952 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.3 | -176.5 | -47.7 | -46 | 0 | 0 | 0 | 114.4 | G171 | D169-G171 VanDerWaalsContact C-N 3.33Š|
| 170 | V | 78 | Confident | 86.7 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14 | 179.5 | -161.7 | 0 | 0 | 0 | 0 | 112.7 | I140 M168 | I140-V170 HydrophobicContact CG1-CG1 4.15Å; M168-V170 PolarHBondContact O-N 3.35Å |
| 171 | G | 85.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 108.8 | -14.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | C139 I150 W152 M168 D169 | C139-G171 CarbonylContact O-C 3.55Å; I150-G171 WeakPolarHBondContact CG2-O 3.29Å; W152-G171 PolarHBondContact NE1-O 2.67Å; M168-G171 PolarHBondContact O-N 3.22Å; D169-G171 VanDerWaalsContact C-N 3.33Å |
| 172 | S | 91.8 | Very high | 87.1 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 144 | -176.9 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | L137 E138 C139 M168 | L137-S172 CarbonylContact O-C 3.51Å; L137-S172 WeakPolarHBondContact O-CA 3.15Å; L137-S172 WeakPolarHBondContact O-CB 3.27Å; E138-S172 WeakPolarHBondContact CA-OG 3.3Å; C139-S172 PolarHBondContact N-OG 3.04Å; C139-S172 PolarHBondContact O-OG 3.37Å; M168-S172 PolarHBondContact N-O 2.76Å |
| 173 | L | 93.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 118.4 | 177.9 | 172.1 | 63.7 | 0 | 0 | 0 | 111.4 | L136 L137 W152 L159 I167 I175 Y186 | L136-L173 WeakPolarHBondContact CA-O 3.41Å; L137-L173 HydrophobicContact CB-CB 4.45Å; L137-L173 HydrophobicContact CD1-CD2 4.48Å; L137-L173 PolarHBondContact N-O 3.43Å; L137-L173 PolarHBondContact O-N 3.03Å; W152-L173 HydrophobicContact CB-CD2 4.19Å; W152-L173 HydrophobicContact CD2-CB 3.65Å; W152-L173 HydrophobicContact CD2-CD2 3.96Å; W152-L173 HydrophobicContact CD2-CG 4.44Å; W152-L173 VanDerWaalsContact CE2-CB 3.44Å; W152-L173 HydrophobicContact CE3-CB 4.19Å; W152-L173 HydrophobicContact CE3-CD2 4.04Å; W152-L173 HydrophobicContact CG-CB 3.98Å; W152-L173 HydrophobicContact CG-CD2 4.04Å; W152-L173 HydrophobicContact CH2-CB 4.27Å; W152-L173 HydrophobicContact CZ2-CB 3.77Å; W152-L173 HydrophobicContact CZ3-CB 4.47Å; L159-L173 HydrophobicContact CD1-CD2 3.66Å; I167-L173 HydrophobicContact CG1-CD1 4.31Å; L173-I175 HydrophobicContact CD1-CG1 4.49Å; L173-I175 HydrophobicContact CD2-CD1 4.26Å; L173-I175 HydrophobicContact CD2-CG1 4.35Å; L173-I175 HydrophobicContact CG-CG1 4.08Å; L173-Y186 HydrophobicContact CD2-CD1 3.85Å; L173-Y186 HydrophobicContact CD2-CE1 3.85Å |
| 174 | R | 93.1 | Very high | 87.7 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.9 | 170.1 | 174.2 | -178.9 | 174.8 | 136.3 | 8 | 110.3 | T134 V135 L136 L165 Q166 D176 | T134-R174 HydrophobicContact CG2-CG 4.13Å; V135-R174 WeakPolarHBondContact O-CA 3.44Å; L136-R174 HydrophobicContact CD1-CB 4.19Å; L165-R174 WeakPolarHBondContact CA-O 3.24Å; Q166-R174 HydrophobicContact CB-CB 4.3Å; Q166-R174 PolarHBondContact N-O 2.96Å; Q166-R174 PolarHBondContact O-N 3.35Å; R174-D176 IonicContact CZ-OD1 3.34Å; R174-D176 IonicContact CZ-OD2 3.74Å; R174-D176 IonicContact NE-OD1 3.29Å; R174-D176 PolarHBondContact NE-OD1 3.1Å; R174-D176 IonicContact NE-OD2 3.5Å; R174-D176 PolarHBondContact NE-OD2 3.21Å; R174-D176 IonicContact NH2-OD1 2.69Å; R174-D176 PolarHBondContact NH2-OD1 2.73Å; R174-D176 IonicContact NH2-OD2 3.86Å; R174-D176 PolarHBondContact NH2-OD2 3.43Å |
| 175 | I | 93 | Very high | 88 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 109.6 | 173.6 | -49.7 | -176 | 0 | 0 | 0 | 108 | T134 V135 R164 L165 L173 I178 Y186 L204 | T134-I175 CarbonylContact C-O 3.54Å; T134-I175 WeakPolarHBondContact CA-O 3.44Å; V135-I175 HydrophobicContact CG1-CB 3.76Å; V135-I175 HydrophobicContact CG1-CD1 4.3Å; V135-I175 HydrophobicContact CG1-CG1 4.2Å; V135-I175 PolarHBondContact N-O 3.39Å; V135-I175 PolarHBondContact O-N 3.33Å; R164-I175 WeakPolarHBondContact O-CA 3.41Å; L165-I175 HydrophobicContact CD2-CB 4.08Å; L165-I175 HydrophobicContact CD2-CD1 4.02Å; L165-I175 HydrophobicContact CD2-CG1 3.64Å; L165-I175 HydrophobicContact CD2-CG2 3.76Å; L173-I175 HydrophobicContact CD1-CG1 4.49Å; L173-I175 HydrophobicContact CD2-CD1 4.26Å; L173-I175 HydrophobicContact CD2-CG1 4.35Å; L173-I175 HydrophobicContact CG-CG1 4.08Å; I175-I178 HydrophobicContact CG2-CG1 4.49Å; I175-Y186 HydrophobicContact CD1-CE1 3.88Å; I175-L204 HydrophobicContact CD1-CD2 4.11Å |
| 176 | D | 89 | Confident | 88.2 | Confident | 25 Ų | 25 | 58 Ų | 58 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | trans | -84.5 | 148.7 | 175.6 | -76.6 | -67.8 | 0 | 0 | 0 | 112.3 | T134 R164 R174 I178 | T134-D176 WeakPolarHBondContact CB-OD1 3.42Å; T134-D176 WeakPolarHBondContact CG2-OD1 3.41Å; T134-D176 WeakPolarHBondContact OG1-CA 3.41Å; T134-D176 PolarHBondContact OG1-OD1 3.48Å; R164-D176 WeakPolarHBondContact CD-O 3.45Å; R164-D176 HydrophobicContact CG-CB 4.46Å; R164-D176 WeakPolarHBondContact CG-O 3.49Å; R164-D176 PolarHBondContact NH1-O 3.19Å; R164-D176 PolarHBondContact O-N 2.87Å; R174-D176 IonicContact CZ-OD1 3.34Å; R174-D176 IonicContact CZ-OD2 3.74Å; R174-D176 IonicContact NE-OD1 3.29Å; R174-D176 PolarHBondContact NE-OD1 3.1Å; R174-D176 IonicContact NE-OD2 3.5Å; R174-D176 PolarHBondContact NE-OD2 3.21Å; R174-D176 IonicContact NH2-OD1 2.69Å; R174-D176 PolarHBondContact NH2-OD1 2.73Å; R174-D176 IonicContact NH2-OD2 3.86Å; R174-D176 PolarHBondContact NH2-OD2 3.43Å; D176-I178 PolarHBondContact O-N 3.05Å | ||
| 177 | R | 85.5 | Confident | 88.5 | Confident | 165 Ų | 165 | 54.5 Ų | 54.5 | 62% | 0.623 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 48.1 | 60.9 | 175.3 | -63.1 | 177.1 | -69.1 | -173.6 | -4.4 | 112.1 | D133 | D133-R177 PolarHBondContact O-N 3.2Š|
| 178 | I | 87 | Confident | 88.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -61.2 | 140 | -172.4 | -164.5 | 159 | 0 | 0 | 0 | 112.7 | V129 N130 G132 D133 V135 I175 D176 D182 L204 V206 | V129-I178 HydrophobicContact CG2-CD1 3.71Å; V129-I178 HydrophobicContact CG2-CG2 4.36Å; N130-I178 WeakPolarHBondContact O-CG2 3.35Å; G132-I178 PolarHBondContact N-O 3.32Å; D133-I178 HydrophobicContact CB-CG2 4.29Å; D133-I178 WeakPolarHBondContact O-CB 3.43Å; D133-I178 VanDerWaalsContact O-CG2 3.28Å; D133-I178 WeakPolarHBondContact O-CG2 3.35Å; D133-I178 PolarHBondContact O-N 3.17Å; V135-I178 HydrophobicContact CB-CD1 4.48Å; V135-I178 HydrophobicContact CG1-CD1 3.6Å; I175-I178 HydrophobicContact CG2-CG1 4.49Å; D176-I178 PolarHBondContact O-N 3.05Å; I178-D182 HydrophobicContact CD1-CB 4Å; I178-D182 HydrophobicContact CG1-CB 3.62Å; I178-D182 WeakPolarHBondContact CG1-OD2 3.28Å; I178-L204 HydrophobicContact CD1-CD1 4.26Å; I178-L204 HydrophobicContact CD1-CD2 3.74Å; I178-L204 HydrophobicContact CD1-CG 4.18Å; I178-V206 HydrophobicContact CD1-CG2 3.73Å; I178-V206 HydrophobicContact CG1-CG1 4.49Å; I178-V206 HydrophobicContact CG1-CG2 3.9Å; I178-V206 HydrophobicContact CG2-CG1 4.37Å | ||
| 179 | T | 86 | Confident | 88.9 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | trans | -115.9 | 166 | 176.9 | 75.6 | 0 | 0 | 0 | 0 | 110.7 | Q181 D182 | T179-Q181 VanDerWaalsContact CB-OE1 3.22Å; T179-Q181 PolarHBondContact O-N 2.77Å; T179-Q181 PolarHBondContact OG1-OE1 3.12Å; T179-D182 PolarHBondContact N-OD2 3.12Å; T179-D182 WeakPolarHBondContact O-CB 3.5Å; T179-D182 PolarHBondContact O-N 2.71Å | ||
| 180 | W | 81.2 | Confident | 89.5 | Confident | 151 Ų | 151 | 39.1 Ų | 39.1 | 57% | 0.572 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -60.9 | -29.6 | -177.5 | 68.1 | -96.5 | 0 | 0 | 0 | 113 | I131 D182 S183 | I131-W180 HydrophobicContact CD1-CB 4.25Å; W180-D182 PolarHBondContact O-N 2.74Å; W180-S183 WeakPolarHBondContact O-CB 3.49Å; W180-S183 PolarHBondContact O-N 3.12Å; W180-S183 VanDerWaalsContact O-N 3.15Å; W180-S183 PolarHBondContact O-OG 3.46Å |
| 181 | Q | 85.2 | Confident | 90 | Very high | 99 Ų | 99 | 38.9 Ų | 38.9 | 46% | 0.463 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -67.8 | -16.4 | 176.4 | -57.5 | 94.1 | -23.8 | 0 | 0 | 114.2 | K154 T179 S183 | K154-Q181 PolarHBondContact NZ-O 3.17Å; T179-Q181 VanDerWaalsContact CB-OE1 3.22Å; T179-Q181 PolarHBondContact O-N 2.77Å; T179-Q181 PolarHBondContact OG1-OE1 3.12Å; Q181-S183 PolarHBondContact O-N 2.89Å |
| 182 | D | 89.9 | Confident | 89.9 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -75.4 | -10.2 | 173.7 | -62.8 | -48.5 | 0 | 0 | 0 | 112.1 | K154 R164 I178 T179 W180 Y186 | K154-D182 WeakPolarHBondContact CE-O 3.24Å; R164-D182 IonicContact CZ-OD1 2.72Å; R164-D182 IonicContact CZ-OD2 3.32Å; R164-D182 IonicContact NH1-OD1 3.81Å; R164-D182 IonicContact NH1-OD2 3.57Å; R164-D182 PolarHBondContact NH1-OD2 2.94Å; R164-D182 IonicContact NH2-OD1 3.52Å; R164-D182 PolarHBondContact NH2-OD1 2.96Å; R164-D182 IonicContact NH2-OD2 2.7Å; R164-D182 PolarHBondContact NH2-OD2 3.33Å; I178-D182 HydrophobicContact CD1-CB 4Å; I178-D182 HydrophobicContact CG1-CB 3.62Å; I178-D182 WeakPolarHBondContact CG1-OD2 3.28Å; T179-D182 PolarHBondContact N-OD2 3.12Å; T179-D182 WeakPolarHBondContact O-CB 3.5Å; T179-D182 PolarHBondContact O-N 2.71Å; W180-D182 PolarHBondContact O-N 2.74Å; D182-Y186 WeakPolarHBondContact O-CE2 3.47Å; D182-Y186 PolarHBondContact O-OH 3.11Å |
| 183 | S | 89.1 | Confident | 89.2 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | trans | -60.3 | 143.8 | 173 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | K154 W180 Q181 L204 V206 | K154-S183 WeakPolarHBondContact CE-O 3.44Å; K154-S183 PolarHBondContact NZ-O 3.05Å; W180-S183 WeakPolarHBondContact O-CB 3.49Å; W180-S183 PolarHBondContact O-N 3.12Å; W180-S183 VanDerWaalsContact O-N 3.15Å; W180-S183 PolarHBondContact O-OG 3.46Å; Q181-S183 PolarHBondContact O-N 2.89Å; S183-L204 VanDerWaalsContact CA-O 3.26Å; S183-L204 WeakPolarHBondContact CA-O 3.3Å; S183-V206 WeakPolarHBondContact OG-CB 3.37Å; S183-V206 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 184 | G | 91.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.4 | -171.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E155 Y203 L204 | E155-G184 VanDerWaalsContact OE1-CA 3.3Å; E155-G184 WeakPolarHBondContact OE1-CA 2.89Å; G184-Y203 WeakPolarHBondContact O-CA 3.23Å; G184-L204 PolarHBondContact N-O 3.01Å; G184-L204 PolarHBondContact O-N 3.05Å |
| 185 | H | 93.9 | Very high | 87.7 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 39% | 0.389 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.2 | 176.2 | -77 | -75.9 | 0 | 0 | 0 | 112.5 | K154 E155 A202 Y203 | K154-H185 CarbonylContact C-O 3.58Å; K154-H185 WeakPolarHBondContact CA-O 3.47Å; E155-H185 PolarHBondContact N-O 2.88Å; H185-A202 CarbonylContact C-O 3.53Å; H185-A202 WeakPolarHBondContact CA-O 3.47Å; H185-Y203 AromaticContact CD2-CD2 3.8Å; H185-Y203 AromaticContact CE1-CD2 3.7Å; H185-Y203 AromaticContact CG-CD2 3.93Å; H185-Y203 AromaticContact ND1-CD2 3.86Å; H185-Y203 AromaticContact NE2-CD2 3.67Å |
| 186 | Y | 94.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.4 | 175.1 | -72.2 | -105.9 | 0 | 0 | 0 | 110.9 | L137 W152 L153 K154 L159 L173 I175 D182 K201 A202 L204 | L137-Y186 HydrophobicContact CD1-CD1 3.65Å; L137-Y186 HydrophobicContact CD1-CD2 4.05Å; L137-Y186 HydrophobicContact CD1-CE1 4.15Å; L137-Y186 HydrophobicContact CD1-CG 3.6Å; W152-Y186 HydrophobicContact CE3-CD1 4.48Å; L153-Y186 CarbonylContact O-C 3.58Å; L153-Y186 VanDerWaalsContact O-CA 3.31Å; L153-Y186 WeakPolarHBondContact O-CA 3.5Å; K154-Y186 HydrophobicContact CB-CD1 4.41Å; K154-Y186 HydrophobicContact CB-CE1 4.2Å; K154-Y186 HydrophobicContact CD-CE1 4.43Å; K154-Y186 HydrophobicContact CD-CE2 4.15Å; K154-Y186 HydrophobicContact CG-CE1 4.35Å; K154-Y186 HydrophobicContact CG-CE2 4.08Å; L159-Y186 HydrophobicContact CD1-CD1 3.93Å; L159-Y186 HydrophobicContact CD1-CE1 3.63Å; L173-Y186 HydrophobicContact CD2-CD1 3.85Å; L173-Y186 HydrophobicContact CD2-CE1 3.85Å; I175-Y186 HydrophobicContact CD1-CE1 3.88Å; D182-Y186 WeakPolarHBondContact O-CE2 3.47Å; D182-Y186 PolarHBondContact O-OH 3.11Å; Y186-K201 WeakPolarHBondContact O-CA 3.47Å; Y186-A202 PolarHBondContact N-O 2.75Å; Y186-A202 PolarHBondContact O-N 2.75Å; Y186-L204 HydrophobicContact CD2-CB 3.97Å; Y186-L204 HydrophobicContact CD2-CD2 4.36Å; Y186-L204 HydrophobicContact CE2-CB 3.81Å; Y186-L204 HydrophobicContact CE2-CD2 3.66Å; Y186-L204 HydrophobicContact CE2-CG 4.38Å |
| 187 | T | 94.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134 | 175.1 | -50.3 | 0 | 0 | 0 | 0 | 109.6 | L153 V189 E198 | L153-T187 PolarHBondContact N-O 3.42Å; L153-T187 PolarHBondContact O-N 3.41Å; T187-V189 HydrophobicContact CG2-CG2 4.39Å; T187-E198 HydrophobicContact CG2-CB 3.91Å; T187-E198 HydrophobicContact CG2-CG 4.5Å |
| 188 | C | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.7 | 170.1 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F120 P124 C139 W152 S199 | F120-C188 HydrophobicContact CE1-CB 4.39Å; P124-C188 HydrophobicContact CG-CB 4.36Å; C139-C188 HydrophobicContact CB-CB 3.68Å; C139-C188 WeakPolarHBondContact CB-SG 3.42Å; C139-C188 WeakPolarHBondContact SG-CB 3.4Å; C139-C188 CovalentContact SG-SG 2.03Å; C139-C188 PolarHBondContact SG-SG 3.23Å; W152-C188 HydrophobicContact CD2-CB 4.38Å; W152-C188 HydrophobicContact CE3-CB 4.33Å; W152-C188 HydrophobicContact CH2-CB 4.16Å; W152-C188 HydrophobicContact CZ2-CB 4.17Å; W152-C188 HydrophobicContact CZ3-CB 4.23Å; C188-S199 PolarHBondContact N-OG 2.87Å; C188-S199 PolarHBondContact O-N 3.06Å; C188-S199 PolarHBondContact O-OG 2.89Å |
| 189 | V | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.7 | -174.6 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | I150 E151 L153 T187 K191 R196 R197 E198 | I150-V189 WeakPolarHBondContact CA-O 3.27Å; E151-V189 HydrophobicContact CB-CB 4.3Å; E151-V189 PolarHBondContact N-O 2.73Å; E151-V189 PolarHBondContact O-N 3.36Å; L153-V189 HydrophobicContact CD1-CG2 3.83Å; L153-V189 HydrophobicContact CG-CG2 3.78Å; T187-V189 HydrophobicContact CG2-CG2 4.39Å; V189-K191 HydrophobicContact CG1-CG 4.34Å; V189-R196 HydrophobicContact CG1-CG 3.88Å; V189-R197 CarbonylContact C-O 3.57Å; V189-R197 WeakPolarHBondContact CA-O 3.24Å; V189-E198 HydrophobicContact CG2-CG 4.17Å |
| 190 | A | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L116 F120 P141 P142 P148 T149 I150 R196 R197 | L116-A190 HydrophobicContact CD2-CB 4.46Å; F120-A190 HydrophobicContact CE1-CB 4.05Å; F120-A190 HydrophobicContact CZ-CB 3.88Å; P141-A190 HydrophobicContact CB-CB 4.19Å; P142-A190 HydrophobicContact CG-CB 4.38Å; P148-A190 HydrophobicContact CB-CB 4.25Å; T149-A190 WeakPolarHBondContact O-CA 3.43Å; I150-A190 HydrophobicContact CD1-CB 4Å; A190-R196 WeakPolarHBondContact O-CA 3.41Å; A190-R197 HydrophobicContact CB-CB 4.48Å; A190-R197 PolarHBondContact N-O 3.35Å; A190-R197 PolarHBondContact O-N 3.08Å |
| 191 | K | 88.4 | Confident | 88.9 | Confident | 81 Ų | 81 | 47.5 Ų | 47.5 | 35% | 0.352 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 111.3 | -179.9 | -77.6 | 172.3 | 166.4 | 172 | 0 | 110.4 | P148 T149 E151 V189 R196 | P148-K191 CarbonylContact C-O 3.56Å; P148-K191 WeakPolarHBondContact CA-O 3.45Å; T149-K191 PolarHBondContact N-O 3.44Å; T149-K191 PolarHBondContact O-N 3.24Å; T149-K191 WeakPolarHBondContact OG1-CB 2.83Å; T149-K191 PolarHBondContact OG1-O 2.73Å; E151-K191 IonicContact OE1-NZ 2.62Å; E151-K191 WeakPolarHBondContact OE2-CE 3.3Å; E151-K191 IonicContact OE2-NZ 3.13Å; E151-K191 PolarHBondContact OE2-NZ 2.84Å; V189-K191 HydrophobicContact CG1-CG 4.34Å; K191-R196 HydrophobicContact CG-CG 4.26Å |
| 192 | S | 82.9 | Confident | 89.3 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 165.9 | 158.9 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | P146 A194 Y195 | P146-S192 PolarHBondContact O-OG 3.5Å; S192-A194 PolarHBondContact O-N 2.86Å; S192-Y195 PolarHBondContact N-O 2.83Å; S192-Y195 PolarHBondContact O-N 3.42Å; S192-Y195 VanDerWaalsContact O-O 3.11Å |
| 193 | F | 77 | Confident | 89.5 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 40% | 0.395 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -36.5 | -168.3 | 83.3 | -53.2 | 0 | 0 | 0 | 116.2 | L36 S114 Y195 | L36-F193 HydrophobicContact CB-CZ 4.39Å; L36-F193 HydrophobicContact CD2-CE1 4.41Å; L36-F193 HydrophobicContact CD2-CZ 3.73Å; L36-F193 HydrophobicContact CG-CE2 4.02Å; L36-F193 HydrophobicContact CG-CZ 3.62Å; S114-F193 VanDerWaalsContact OG-CE1 3.28Å; S114-F193 WeakPolarHBondContact OG-CE1 3.47Å; S114-F193 VanDerWaalsContact OG-CZ 3.27Å; S114-F193 WeakPolarHBondContact OG-CZ 3.47Å; F193-Y195 HydrophobicContact CE1-CD2 4.07Å; F193-Y195 HydrophobicContact CE1-CE2 4.07Å |
| 194 | A | 71.4 | Confident | 89.7 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L36 S192 | L36-A194 HydrophobicContact CD1-CB 4.02Å; L36-A194 HydrophobicContact CD2-CB 3.83Å; L36-A194 HydrophobicContact CG-CB 3.95Å; S192-A194 PolarHBondContact O-N 2.86Å |
| 195 | Y | 83.5 | Confident | 89.6 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.1 | -173.5 | -62.6 | -68.1 | 0 | 0 | 0 | 111.9 | L36 L116 S192 F193 | L36-Y195 HydrophobicContact CD2-CE2 4.01Å; L36-Y195 WeakPolarHBondContact CD2-OH 3.13Å; L116-Y195 HydrophobicContact CB-CD2 4.14Å; L116-Y195 HydrophobicContact CB-CG 4.08Å; S192-Y195 PolarHBondContact N-O 2.83Å; S192-Y195 PolarHBondContact O-N 3.42Å; S192-Y195 VanDerWaalsContact O-O 3.11Å; F193-Y195 HydrophobicContact CE1-CD2 4.07Å; F193-Y195 HydrophobicContact CE1-CE2 4.07Å |
| 196 | R | 90 | Very high | 89.4 | Confident | 112 Ų | 112 | 43.1 Ų | 43.1 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.9 | 171.2 | -169.3 | 171.2 | 174.4 | -81.3 | -5 | 109.9 | V189 A190 K191 E198 | V189-R196 HydrophobicContact CG1-CG 3.88Å; A190-R196 WeakPolarHBondContact O-CA 3.41Å; K191-R196 HydrophobicContact CG-CG 4.26Å; R196-E198 IonicContact CZ-OE1 2.71Å; R196-E198 IonicContact NH1-OE1 4Å; R196-E198 PolarHBondContact NH1-OE1 2.91Å; R196-E198 IonicContact NH2-OE1 2.68Å; R196-E198 PolarHBondContact NH2-OE1 2.98Å |
| 197 | R | 90.4 | Very high | 88.9 | Confident | 83 Ų | 83 | 47.8 Ų | 47.8 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.8 | 173 | -62.8 | -69 | 178.5 | -103.7 | 7.4 | 108.8 | L116 F120 P142 V189 A190 | L116-R197 HydrophobicContact CD2-CB 4.37Å; L116-R197 HydrophobicContact CD2-CG 3.72Å; L116-R197 HydrophobicContact CG-CG 4.16Å; F120-R197 HydrophobicContact CE2-CB 3.83Å; F120-R197 HydrophobicContact CZ-CB 4.29Å; P142-R197 HydrophobicContact CG-CB 4.43Å; P142-R197 HydrophobicContact CG-CG 4.46Å; V189-R197 CarbonylContact C-O 3.57Å; V189-R197 WeakPolarHBondContact CA-O 3.24Å; A190-R197 HydrophobicContact CB-CB 4.48Å; A190-R197 PolarHBondContact N-O 3.35Å; A190-R197 PolarHBondContact O-N 3.08Å |
| 198 | E | 92.2 | Very high | 88.2 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.8 | 172.1 | -58.9 | -165.4 | 174.4 | 0 | 0 | 109.1 | F120 T187 V189 R196 | F120-E198 WeakPolarHBondContact CE2-O 3.45Å; T187-E198 HydrophobicContact CG2-CB 3.91Å; T187-E198 HydrophobicContact CG2-CG 4.5Å; V189-E198 HydrophobicContact CG2-CG 4.17Å; R196-E198 IonicContact CZ-OE1 2.71Å; R196-E198 IonicContact NH1-OE1 4Å; R196-E198 PolarHBondContact NH1-OE1 2.91Å; R196-E198 IonicContact NH2-OE1 2.68Å; R196-E198 PolarHBondContact NH2-OE1 2.98Å |
| 199 | S | 92.7 | Very high | 87.5 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | trans | -75.6 | 171.6 | 170.7 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | P124 C188 | P124-S199 WeakPolarHBondContact CD-OG 3.4Å; P124-S199 WeakPolarHBondContact CG-OG 3.46Å; C188-S199 PolarHBondContact N-OG 2.87Å; C188-S199 PolarHBondContact O-N 3.06Å; C188-S199 PolarHBondContact O-OG 2.89Å | ||
| 200 | S | 92 | Very high | 87.1 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | trans | -55.2 | 155.4 | 156.5 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | E123 | E123-S200 WeakPolarHBondContact OE2-CB 3.33Å; E123-S200 PolarHBondContact OE2-N 3.13Å; E123-S200 PolarHBondContact OE2-OG 2.8Å | ||
| 201 | K | 91.1 | Very high | 86.7 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | trans | -87.2 | 114 | -177.9 | -62.4 | -165.4 | 174.8 | -167.6 | 0 | 110.8 | N156 Y186 | N156-K201 PolarHBondContact OD1-NZ 3.47Å; Y186-K201 WeakPolarHBondContact O-CA 3.47Å | ||
| 202 | A | 93.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P124 H185 Y186 | P124-A202 HydrophobicContact CB-CB 3.74Å; P124-A202 HydrophobicContact CG-CB 4.09Å; H185-A202 CarbonylContact C-O 3.53Å; H185-A202 WeakPolarHBondContact CA-O 3.47Å; Y186-A202 PolarHBondContact N-O 2.75Å; Y186-A202 PolarHBondContact O-N 2.75Å |
| 203 | Y | 93.1 | Very high | 86.6 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 37% | 0.373 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.9 | 171.6 | -162.8 | -87.8 | 0 | 0 | 0 | 111.2 | N126 K127 G184 H185 T205 | N126-Y203 VanDerWaalsContact CA-O 3.31Å; N126-Y203 WeakPolarHBondContact CA-O 3.3Å; N126-Y203 PolarHBondContact OD1-N 3.03Å; K127-Y203 PolarHBondContact N-O 3.37Å; G184-Y203 WeakPolarHBondContact O-CA 3.23Å; H185-Y203 AromaticContact CD2-CD2 3.8Å; H185-Y203 AromaticContact CE1-CD2 3.7Å; H185-Y203 AromaticContact CG-CD2 3.93Å; H185-Y203 AromaticContact ND1-CD2 3.86Å; H185-Y203 AromaticContact NE2-CD2 3.67Å; Y203-T205 WeakPolarHBondContact CD1-OG1 3.39Å |
| 204 | L | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.3 | 174.5 | -177.3 | 55 | 0 | 0 | 0 | 109.1 | K127 V129 V135 L137 I175 I178 S183 G184 Y186 V206 | K127-L204 HydrophobicContact CB-CD1 4.31Å; V129-L204 HydrophobicContact CG2-CD1 3.82Å; V135-L204 HydrophobicContact CG1-CD1 4.41Å; V135-L204 HydrophobicContact CG1-CD2 4.3Å; V135-L204 HydrophobicContact CG2-CD1 4.23Å; L137-L204 HydrophobicContact CD1-CD2 4.43Å; I175-L204 HydrophobicContact CD1-CD2 4.11Å; I178-L204 HydrophobicContact CD1-CD1 4.26Å; I178-L204 HydrophobicContact CD1-CD2 3.74Å; I178-L204 HydrophobicContact CD1-CG 4.18Å; S183-L204 VanDerWaalsContact CA-O 3.26Å; S183-L204 WeakPolarHBondContact CA-O 3.3Å; G184-L204 PolarHBondContact N-O 3.01Å; G184-L204 PolarHBondContact O-N 3.05Å; Y186-L204 HydrophobicContact CD2-CB 3.97Å; Y186-L204 HydrophobicContact CD2-CD2 4.36Å; Y186-L204 HydrophobicContact CE2-CB 3.81Å; Y186-L204 HydrophobicContact CE2-CD2 3.66Å; Y186-L204 HydrophobicContact CE2-CG 4.38Å; L204-V206 HydrophobicContact CG-CG2 4.46Å |
| 205 | T | 90.3 | Very high | 87.7 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 110 | 178.3 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | K127 V128 V129 Y203 E236 | K127-T205 PolarHBondContact O-N 2.78Å; V128-T205 WeakPolarHBondContact CA-O 3.27Å; V128-T205 HydrophobicContact CG1-CG2 4.35Å; V129-T205 PolarHBondContact N-O 2.89Å; V129-T205 VanDerWaalsContact N-O 3.1Å; Y203-T205 WeakPolarHBondContact CD1-OG1 3.39Å; T205-E236 HydrophobicContact CG2-CG 4.02Å |
| 206 | V | 88.4 | Confident | 88 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106.5 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | V129 I131 I178 S183 L204 | V129-V206 HydrophobicContact CG2-CG2 4.49Å; V129-V206 CarbonylContact O-C 3.58Å; V129-V206 WeakPolarHBondContact O-CA 3.39Å; I131-V206 HydrophobicContact CG1-CG1 3.58Å; I178-V206 HydrophobicContact CD1-CG2 3.73Å; I178-V206 HydrophobicContact CG1-CG1 4.49Å; I178-V206 HydrophobicContact CG1-CG2 3.9Å; I178-V206 HydrophobicContact CG2-CG1 4.37Å; S183-V206 WeakPolarHBondContact OG-CB 3.37Å; S183-V206 WeakPolarHBondContact OG-CG2 3.39Å; L204-V206 HydrophobicContact CG-CG2 4.46Å |
| 207 | R | 84.3 | Confident | 87.8 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 130.6 | 177.3 | -80.6 | -176.7 | 174.6 | 167.6 | 4.1 | 111.8 | V128 V129 I131 E236 T286 | V128-R207 HydrophobicContact CG1-CG 3.78Å; V128-R207 VanDerWaalsContact CG1-NE 3.31Å; V129-R207 WeakPolarHBondContact O-CB 3.41Å; V129-R207 PolarHBondContact O-N 2.9Å; I131-R207 PolarHBondContact N-O 2.87Å; R207-E236 CarbonylContact C-O 3.57Å; R207-E236 VanDerWaalsContact CA-O 3.3Å; R207-E236 WeakPolarHBondContact CA-O 3.32Å; R207-T286 HydrophobicContact CB-CG2 3.9Å; R207-T286 HydrophobicContact CG-CG2 4.14Å |
| 208 | Q | 79.7 | Confident | 87.6 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.7 | -179.7 | -172.1 | 174.6 | 19.2 | 0 | 0 | 109.9 | I131 E236 T286 | I131-Q208 HydrophobicContact CD1-CB 3.95Å; I131-Q208 HydrophobicContact CD1-CG 3.72Å; Q208-E236 HydrophobicContact CB-CB 4.38Å; Q208-E236 PolarHBondContact N-O 2.84Å; Q208-E236 PolarHBondContact O-N 2.94Å; Q208-E236 VanDerWaalsContact O-N 3.07Å; Q208-E236 VanDerWaalsContact O-O 3.07Å; Q208-T286 PolarHBondContact O-OG1 3.19Å |
| 209 | R | 79.4 | Confident | 87.1 | Confident | 186 Ų | 186 | 59.6 Ų | 59.6 | 70% | 0.702 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 151.7 | 172.4 | -74 | -165.2 | 166.9 | 157.8 | 5.4 | 111.5 | T286 | R209-T286 WeakPolarHBondContact CA-OG1 3.13Å; R209-T286 WeakPolarHBondContact CG-O 3.34Å; R209-T286 PolarHBondContact NE-O 2.8Å |
| 210 | P | 84.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.032 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 141.6 | 175.7 | -28 | 38.7 | 0 | 0 | 0 | 112.6 | A234 P239 A282 S284 V289 | P210-A234 CarbonylContact C-O 3.56Å; P210-A234 VanDerWaalsContact CA-O 3.28Å; P210-A234 WeakPolarHBondContact CA-O 3.45Å; P210-P239 HydrophobicContact CB-CB 3.92Å; P210-P239 HydrophobicContact CB-CG 4.19Å; P210-P239 HydrophobicContact CG-CB 3.95Å; P210-A282 HydrophobicContact CB-CB 4.3Å; P210-S284 WeakPolarHBondContact CD-OG 3.46Å; P210-S284 WeakPolarHBondContact CG-OG 3.39Å; P210-V289 HydrophobicContact CB-CG2 3.92Å; P210-V289 WeakPolarHBondContact O-CG1 3.42Å |
| 211 | Y | 83.5 | Confident | 86 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.3 | 173.5 | 66.7 | -86.4 | 0 | 0 | 0 | 110.2 | I213 A233 A234 | Y211-I213 HydrophobicContact CE2-CG1 4.12Å; Y211-A233 CarbonylContact O-C 3.56Å; Y211-A233 WeakPolarHBondContact O-CA 3.41Å; Y211-A233 WeakPolarHBondContact O-CB 3.17Å; Y211-A234 WeakPolarHBondContact CD1-O 3.39Å; Y211-A234 HydrophobicContact CE1-CB 3.99Å; Y211-A234 HydrophobicContact CE2-CB 4.23Å; Y211-A234 PolarHBondContact N-O 3.41Å; Y211-A234 PolarHBondContact O-N 3.31Å |
| 212 | F | 84.6 | Confident | 85.3 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.7 | 179.1 | -64.1 | -72.4 | 0 | 0 | 0 | 111.4 | S215 C231 A233 C280 A282 V289 A291 | F212-S215 WeakPolarHBondContact CB-OG 3.01Å; F212-C231 VanDerWaalsContact CE1-SG 3.56Å; F212-A233 HydrophobicContact CD1-CB 4.06Å; F212-A233 HydrophobicContact CE1-CB 4.37Å; F212-C280 HydrophobicContact CE1-CB 4.48Å; F212-A282 HydrophobicContact CE1-CB 4.02Å; F212-A282 HydrophobicContact CZ-CB 4.33Å; F212-V289 HydrophobicContact CD2-CG2 4.07Å; F212-V289 HydrophobicContact CE1-CG2 4.42Å; F212-V289 HydrophobicContact CE2-CB 3.95Å; F212-V289 HydrophobicContact CE2-CG2 3.51Å; F212-V289 HydrophobicContact CZ-CB 4.4Å; F212-V289 HydrophobicContact CZ-CG2 3.72Å; F212-A291 HydrophobicContact CD2-CB 3.92Å; F212-A291 HydrophobicContact CE1-CB 4.25Å; F212-A291 HydrophobicContact CE2-CB 3.5Å; F212-A291 VanDerWaalsContact CE2-CB 3.5Å; F212-A291 HydrophobicContact CG-CB 4.45Å; F212-A291 HydrophobicContact CZ-CB 3.69Å |
| 213 | I | 84.5 | Confident | 84.5 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -41 | 164.2 | -61.7 | 172 | 0 | 0 | 0 | 109 | Y211 R232 A234 | Y211-I213 HydrophobicContact CE2-CG1 4.12Å; I213-R232 HydrophobicContact CB-CB 4.42Å; I213-R232 PolarHBondContact N-O 3.33Å; I213-A234 HydrophobicContact CD1-CB 3.6Å; I213-A234 HydrophobicContact CG1-CB 4.09Å |
| 214 | V | 86.2 | Confident | 83.9 | Confident | 49 Ų | 49 | 63 Ų | 63 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 108.7 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | C231 R232 | V214-C231 CarbonylContact O-C 3.55Å; V214-C231 WeakPolarHBondContact O-CA 3.3Å; V214-R232 HydrophobicContact CB-CB 4.01Å; V214-R232 HydrophobicContact CB-CG 4.32Å; V214-R232 HydrophobicContact CG2-CB 4.17Å; V214-R232 HydrophobicContact CG2-CG 4.35Å; V214-R232 PolarHBondContact N-O 3.35Å; V214-R232 PolarHBondContact O-N 3.07Å |
| 215 | S | 84.9 | Confident | 83.3 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -77.7 | 145.9 | 166.6 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | F212 | F212-S215 WeakPolarHBondContact CB-OG 3.01Š| ||
| 216 | P | 89 | Confident | 83 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 7% | 0.065 | 34% | 0.341 | C | S | . | . | trans | -70 | 144.5 | 173.5 | 32.6 | -36.6 | 0 | 0 | 0 | 111 | L229 S230 W243 C280 A291 A293 | P216-L229 HydrophobicContact CB-CD2 4.08Å; P216-S230 WeakPolarHBondContact CA-O 3.49Å; P216-W243 HydrophobicContact CB-CH2 3.6Å; P216-W243 HydrophobicContact CB-CZ3 4.28Å; P216-W243 HydrophobicContact CG-CH2 4.01Å; P216-W243 HydrophobicContact CG-CZ3 4.36Å; P216-C280 HydrophobicContact CG-CB 3.99Å; P216-A291 HydrophobicContact CG-CB 4.24Å; P216-A293 HydrophobicContact CB-CB 3.91Å; P216-A293 HydrophobicContact CG-CB 4.2Å | ||
| 217 | K | 86.6 | Confident | 83 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | trans | -107.3 | 140.3 | -177.1 | -48.4 | -165.2 | -170.8 | -150.1 | 0 | 110.9 | E1508 | K217-E1508 WeakPolarHBondContact CD-OE1 3.35Å; K217-E1508 WeakPolarHBondContact CE-OE1 3.35Å; K217-E1508 IonicContact NZ-OE1 3.3Å; K217-E1508 PolarHBondContact NZ-OE1 2.88Å; K217-E1508 IonicContact NZ-OE2 2.78Å; K217-E1508 PolarHBondContact NZ-OE2 2.93Å | ||
| 218 | S | 86.8 | Confident | 83.2 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -63.7 | 139.4 | 168.8 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | Y294 | S218-Y294 CarbonylContact C-O 3.48Å; S218-Y294 WeakPolarHBondContact CA-O 3.35Å; S218-Y294 VanDerWaalsContact CB-O 3.29Å; S218-Y294 WeakPolarHBondContact CB-O 3.42Å; S218-Y294 PolarHBondContact OG-N 3.07Å | ||
| 219 | Q | 81.5 | Confident | 83.7 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 143.9 | -175.5 | 52.9 | -174.1 | -17.4 | 0 | 0 | 112.5 | V221 E228 Y294 I295 N296 | Q219-V221 HydrophobicContact CB-CG2 4.32Å; Q219-V221 HydrophobicContact CG-CG2 3.85Å; Q219-E228 PolarHBondContact NE2-O 3.47Å; Q219-Y294 PolarHBondContact N-O 2.86Å; Q219-Y294 VanDerWaalsContact N-O 3.08Å; Q219-I295 HydrophobicContact CG-CD1 3.49Å; Q219-I295 VanDerWaalsContact CG-CD1 3.49Å; Q219-N296 PolarHBondContact O-N 2.96Å |
| 220 | S | 78.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 57 Ų | 57 | 57% | 0.566 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.6 | 170.2 | -69.7 | 0 | 0 | 0 | 0 | 109.5 | N296 | S220-N296 CarbonylContact C-O 3.6Å; S220-N296 VanDerWaalsContact CA-O 3.26Å; S220-N296 WeakPolarHBondContact CA-O 3.28Å; S220-N296 PolarHBondContact OG-ND2 2.84Å; S220-N296 VanDerWaalsContact OG-ND2 3.16Å |
| 221 | V | 82.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.9 | -168.3 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | Q219 S225 F227 V270 N296 V297 V298 | Q219-V221 HydrophobicContact CB-CG2 4.32Å; Q219-V221 HydrophobicContact CG-CG2 3.85Å; V221-S225 WeakPolarHBondContact CG1-OG 3.4Å; V221-F227 HydrophobicContact CB-CD1 4.4Å; V221-F227 HydrophobicContact CG1-CB 4.04Å; V221-F227 HydrophobicContact CG1-CD1 3.67Å; V221-F227 HydrophobicContact CG1-CE1 4.33Å; V221-F227 HydrophobicContact CG1-CG 4.06Å; V221-F227 HydrophobicContact CG2-CB 4.42Å; V221-F227 HydrophobicContact CG2-CD1 4.3Å; V221-F227 HydrophobicContact CG2-CD2 4.46Å; V221-F227 HydrophobicContact CG2-CG 4.17Å; V221-V270 HydrophobicContact CG1-CG2 3.9Å; V221-N296 PolarHBondContact N-O 2.94Å; V221-V297 WeakPolarHBondContact O-CA 3.38Å; V221-V298 PolarHBondContact O-N 2.83Å |
| 222 | P | 76 | Confident | 84.6 | Confident | 75 Ų | 75 | 58 Ų | 58 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 144.1 | 178.2 | -22.3 | 33.8 | 0 | 0 | 0 | 113.5 | S225 V298 | P222-S225 VanDerWaalsContact O-CB 3.3Å; P222-S225 WeakPolarHBondContact O-CB 3.45Å; P222-S225 PolarHBondContact O-N 3.41Å; P222-S225 PolarHBondContact O-OG 3.33Å; P222-V298 WeakPolarHBondContact CA-O 3.44Å; P222-V298 HydrophobicContact CG-CG2 4.39Å |
| 223 | V | 77.4 | Confident | 84.6 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 147.7 | 166.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S225 V297 V298 T299 | V223-S225 PolarHBondContact O-N 3.11Å; V223-S225 VanDerWaalsContact O-N 3.09Å; V223-V297 HydrophobicContact CB-CG1 4.46Å; V223-V297 HydrophobicContact CG2-CG1 3.36Å; V223-V298 PolarHBondContact N-O 2.85Å; V223-V298 VanDerWaalsContact N-O 3.11Å; V223-T299 HydrophobicContact CB-CG2 3.98Å; V223-T299 HydrophobicContact CG2-CG2 3.31Å |
| 224 | H | 79.6 | Confident | 84.5 | Confident | 143 Ų | 143 | 52.5 Ų | 52.5 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -1.4 | -175.8 | -52.7 | -38.4 | 0 | 0 | 0 | 116.6 | V270 | H224-V270 PolarHBondContact N-O 2.9Š|
| 225 | S | 81.3 | Confident | 84.4 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | trans | -75.2 | -173.4 | 176.9 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | V221 P222 V223 S269 V270 | V221-S225 WeakPolarHBondContact CG1-OG 3.4Å; P222-S225 VanDerWaalsContact O-CB 3.3Å; P222-S225 WeakPolarHBondContact O-CB 3.45Å; P222-S225 PolarHBondContact O-N 3.41Å; P222-S225 PolarHBondContact O-OG 3.33Å; V223-S225 PolarHBondContact O-N 3.11Å; V223-S225 VanDerWaalsContact O-N 3.09Å; S225-S269 WeakPolarHBondContact O-CA 3.44Å; S225-S269 PolarHBondContact O-N 3.08Å; S225-S269 VanDerWaalsContact O-N 3.12Å; S225-V270 PolarHBondContact O-N 3.46Å; S225-V270 VanDerWaalsContact O-N 3.14Å | ||
| 226 | V | 84.2 | Confident | 84.3 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.485 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.6 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 107.2 | F267 | V226-F267 WeakPolarHBondContact CA-O 3.23Å; V226-F267 WeakPolarHBondContact CG1-O 3.42Å |
| 227 | F | 87.4 | Confident | 84.2 | Confident | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 165.4 | 179.4 | 78.2 | -88.4 | 0 | 0 | 0 | 112.7 | V221 L229 R266 F267 V270 I295 | V221-F227 HydrophobicContact CB-CD1 4.4Å; V221-F227 HydrophobicContact CG1-CB 4.04Å; V221-F227 HydrophobicContact CG1-CD1 3.67Å; V221-F227 HydrophobicContact CG1-CE1 4.33Å; V221-F227 HydrophobicContact CG1-CG 4.06Å; V221-F227 HydrophobicContact CG2-CB 4.42Å; V221-F227 HydrophobicContact CG2-CD1 4.3Å; V221-F227 HydrophobicContact CG2-CD2 4.46Å; V221-F227 HydrophobicContact CG2-CG 4.17Å; F227-L229 HydrophobicContact CD2-CG 4.5Å; F227-L229 HydrophobicContact CE2-CD1 4.17Å; F227-L229 HydrophobicContact CE2-CG 4.02Å; F227-R266 CarbonylContact O-C 3.6Å; F227-R266 WeakPolarHBondContact O-CA 3.09Å; F227-F267 HydrophobicContact CD1-CB 3.63Å; F227-F267 HydrophobicContact CD1-CD2 4.23Å; F227-F267 AromaticContact CD1-CG 3.94Å; F227-F267 HydrophobicContact CD1-CG 3.94Å; F227-F267 HydrophobicContact CD2-CD2 4.05Å; F227-F267 HydrophobicContact CE1-CB 3.49Å; F227-F267 VanDerWaalsContact CE1-CB 3.49Å; F227-F267 AromaticContact CE1-CD1 3.65Å; F227-F267 HydrophobicContact CE1-CD1 3.65Å; F227-F267 AromaticContact CE1-CD2 3.68Å; F227-F267 HydrophobicContact CE1-CD2 3.68Å; F227-F267 HydrophobicContact CE1-CE1 4.28Å; F227-F267 HydrophobicContact CE1-CE2 4.32Å; F227-F267 AromaticContact CE1-CG 3.32Å; F227-F267 HydrophobicContact CE1-CG 3.32Å; F227-F267 AromaticContact CE2-CD2 3.46Å; F227-F267 HydrophobicContact CE2-CD2 3.46Å; F227-F267 VanDerWaalsContact CE2-CD2 3.46Å; F227-F267 AromaticContact CE2-CE2 3.65Å; F227-F267 HydrophobicContact CE2-CE2 3.65Å; F227-F267 HydrophobicContact CE2-CG 4.03Å; F227-F267 HydrophobicContact CE2-CZ 4.33Å; F227-F267 HydrophobicContact CG-CB 4.32Å; F227-F267 HydrophobicContact CG-CD2 4.43Å; F227-F267 HydrophobicContact CZ-CB 4.04Å; F227-F267 AromaticContact CZ-CD1 3.68Å; F227-F267 HydrophobicContact CZ-CD1 3.68Å; F227-F267 AromaticContact CZ-CD2 3.26Å; F227-F267 HydrophobicContact CZ-CD2 3.26Å; F227-F267 AromaticContact CZ-CE1 3.87Å; F227-F267 HydrophobicContact CZ-CE1 3.87Å; F227-F267 AromaticContact CZ-CE2 3.5Å; F227-F267 HydrophobicContact CZ-CE2 3.5Å; F227-F267 VanDerWaalsContact CZ-CE2 3.5Å; F227-F267 AromaticContact CZ-CG 3.38Å; F227-F267 HydrophobicContact CZ-CG 3.38Å; F227-F267 AromaticContact CZ-CZ 3.79Å; F227-F267 HydrophobicContact CZ-CZ 3.79Å; F227-F267 PolarHBondContact N-O 3.15Å; F227-F267 PolarHBondContact O-N 3.04Å; F227-V270 HydrophobicContact CD1-CG2 3.42Å; F227-V270 VanDerWaalsContact CD1-CG2 3.42Å; F227-V270 HydrophobicContact CE1-CG1 4.24Å; F227-V270 HydrophobicContact CE1-CG2 3.6Å; F227-I295 HydrophobicContact CE2-CD1 4.08Å; F227-I295 HydrophobicContact CE2-CG1 4.31Å; F227-I295 HydrophobicContact CE2-CG2 4.45Å; F227-I295 HydrophobicContact CZ-CG1 4.35Å; F227-I295 HydrophobicContact CZ-CG2 3.91Å |
| 228 | E | 88.7 | Confident | 84.1 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.5 | 177.5 | -60.9 | -166.1 | 174.3 | 0 | 0 | 111.2 | Q219 T264 L265 R266 | Q219-E228 PolarHBondContact NE2-O 3.47Å; E228-T264 HydrophobicContact CB-CG2 3.87Å; E228-T264 HydrophobicContact CG-CG2 4.49Å; E228-L265 CarbonylContact C-O 3.59Å; E228-L265 WeakPolarHBondContact CA-O 3.34Å; E228-R266 HydrophobicContact CG-CB 3.87Å; E228-R266 HydrophobicContact CG-CG 3.81Å; E228-R266 WeakPolarHBondContact OE1-CD 3.41Å; E228-R266 IonicContact OE1-CZ 3.45Å; E228-R266 IonicContact OE1-NE 2.75Å; E228-R266 IonicContact OE1-NH1 3.37Å; E228-R266 PolarHBondContact OE1-NH1 3.31Å |
| 229 | L | 89.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 100.5 | 173 | -93.4 | 174.3 | 0 | 0 | 0 | 108.3 | P216 F227 W243 T264 L265 F267 Y278 A293 I295 | P216-L229 HydrophobicContact CB-CD2 4.08Å; F227-L229 HydrophobicContact CD2-CG 4.5Å; F227-L229 HydrophobicContact CE2-CD1 4.17Å; F227-L229 HydrophobicContact CE2-CG 4.02Å; L229-W243 HydrophobicContact CB-CH2 3.76Å; L229-W243 HydrophobicContact CB-CZ2 4.06Å; L229-W243 HydrophobicContact CD1-CH2 4.11Å; L229-W243 HydrophobicContact CD1-CZ3 4.19Å; L229-W243 HydrophobicContact CD2-CH2 4.45Å; L229-W243 HydrophobicContact CG-CH2 4.35Å; L229-W243 WeakPolarHBondContact O-CZ2 3.16Å; L229-T264 CarbonylContact O-C 3.42Å; L229-T264 WeakPolarHBondContact O-CA 3.4Å; L229-L265 HydrophobicContact CB-CB 4.23Å; L229-L265 PolarHBondContact N-O 2.92Å; L229-L265 PolarHBondContact O-N 3.21Å; L229-F267 HydrophobicContact CD1-CE2 4.36Å; L229-Y278 HydrophobicContact CD1-CG 4.13Å; L229-A293 HydrophobicContact CD2-CB 4.15Å; L229-I295 HydrophobicContact CD1-CD1 3.92Å; L229-I295 HydrophobicContact CD1-CG1 4.06Å; L229-I295 HydrophobicContact CD2-CD1 3.99Å; L229-I295 HydrophobicContact CG-CD1 4.12Å |
| 230 | S | 88.8 | Confident | 84.3 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | trans | -80.3 | 131.1 | 177.8 | -72.7 | 0 | 0 | 0 | 0 | 111.3 | P216 T264 | P216-S230 WeakPolarHBondContact CA-O 3.49Å; S230-T264 WeakPolarHBondContact CA-OG1 3.28Å; S230-T264 PolarHBondContact OG-OG1 3.34Å; S230-T264 VanDerWaalsContact OG-OG1 3.08Å | ||
| 231 | C | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -138.5 | 126.4 | 167.8 | -176 | 0 | 0 | 0 | 0 | 109.6 | F212 V214 W243 G262 C280 | F212-C231 VanDerWaalsContact CE1-SG 3.56Å; V214-C231 CarbonylContact O-C 3.55Å; V214-C231 WeakPolarHBondContact O-CA 3.3Å; C231-W243 HydrophobicContact CB-CH2 4.18Å; C231-W243 HydrophobicContact CB-CZ2 3.54Å; C231-G262 VanDerWaalsContact O-O 3.07Å; C231-C280 HydrophobicContact CB-CB 3.67Å; C231-C280 WeakPolarHBondContact CB-SG 3.5Å; C231-C280 WeakPolarHBondContact SG-CB 3.49Å; C231-C280 CovalentContact SG-SG 2.02Å; C231-C280 PolarHBondContact SG-SG 3.09Å | ||
| 232 | R | 88.6 | Confident | 84.9 | Confident | 133 Ų | 133 | 53 Ų | 53 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 131.8 | 178.9 | -63.5 | -177.3 | 179.7 | 178.6 | 1.1 | 109.5 | I213 V214 | I213-R232 HydrophobicContact CB-CB 4.42Å; I213-R232 PolarHBondContact N-O 3.33Å; V214-R232 HydrophobicContact CB-CB 4.01Å; V214-R232 HydrophobicContact CB-CG 4.32Å; V214-R232 HydrophobicContact CG2-CB 4.17Å; V214-R232 HydrophobicContact CG2-CG 4.35Å; V214-R232 PolarHBondContact N-O 3.35Å; V214-R232 PolarHBondContact O-N 3.07Å |
| 233 | A | 85 | Confident | 85.5 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y211 F212 P239 V241 A282 | Y211-A233 CarbonylContact O-C 3.56Å; Y211-A233 WeakPolarHBondContact O-CA 3.41Å; Y211-A233 WeakPolarHBondContact O-CB 3.17Å; F212-A233 HydrophobicContact CD1-CB 4.06Å; F212-A233 HydrophobicContact CE1-CB 4.37Å; A233-P239 HydrophobicContact CB-CG 3.81Å; A233-V241 HydrophobicContact CB-CG2 4.22Å; A233-A282 HydrophobicContact CB-CB 3.44Å; A233-A282 VanDerWaalsContact CB-CB 3.44Å |
| 234 | A | 82.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P210 Y211 I213 | P210-A234 CarbonylContact C-O 3.56Å; P210-A234 VanDerWaalsContact CA-O 3.28Å; P210-A234 WeakPolarHBondContact CA-O 3.45Å; Y211-A234 WeakPolarHBondContact CD1-O 3.39Å; Y211-A234 HydrophobicContact CE1-CB 3.99Å; Y211-A234 HydrophobicContact CE2-CB 4.23Å; Y211-A234 PolarHBondContact N-O 3.41Å; Y211-A234 PolarHBondContact O-N 3.31Å; I213-A234 HydrophobicContact CD1-CB 3.6Å; I213-A234 HydrophobicContact CG1-CB 4.09Å |
| 235 | G | 83.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.7 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P237 S238 | G235-P237 CarbonylContact C-O 3.58Å; G235-P237 CarbonylContact O-C 3.52Å; G235-S238 VanDerWaalsContact O-CA 3.31Å; G235-S238 WeakPolarHBondContact O-CA 3.42Å; G235-S238 PolarHBondContact O-N 3.23Å |
| 236 | E | 83.3 | Confident | 85.7 | Confident | 73 Ų | 73 | 49.1 Ų | 49.1 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 108.1 | -179.9 | -179.6 | 40.9 | -124.3 | 0 | 0 | 110.3 | T205 R207 Q208 T286 | T205-E236 HydrophobicContact CG2-CG 4.02Å; R207-E236 CarbonylContact C-O 3.57Å; R207-E236 VanDerWaalsContact CA-O 3.3Å; R207-E236 WeakPolarHBondContact CA-O 3.32Å; Q208-E236 HydrophobicContact CB-CB 4.38Å; Q208-E236 PolarHBondContact N-O 2.84Å; Q208-E236 PolarHBondContact O-N 2.94Å; Q208-E236 VanDerWaalsContact O-N 3.07Å; Q208-E236 VanDerWaalsContact O-O 3.07Å; E236-T286 WeakPolarHBondContact O-CG2 3.33Å |
| 237 | P | 85.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 50 Ų | 50 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -67.3 | 152.9 | 3 | -23.8 | 37.3 | 0 | 0 | 0 | 114.9 | G235 S284 | G235-P237 CarbonylContact C-O 3.58Å; G235-P237 CarbonylContact O-C 3.52Å; P237-S284 VanDerWaalsContact O-CB 3.3Å; P237-S284 WeakPolarHBondContact O-CB 3.32Å |
| 238 | S | 85.3 | Confident | 83.3 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 128.2 | -179.3 | -76.7 | 0 | 0 | 0 | 0 | 112.5 | G235 | G235-S238 VanDerWaalsContact O-CA 3.31Å; G235-S238 WeakPolarHBondContact O-CA 3.42Å; G235-S238 PolarHBondContact O-N 3.23Å |
| 239 | P | 86.4 | Confident | 81.4 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 145.8 | -171.2 | 31.5 | -35.6 | 0 | 0 | 0 | 114 | P210 A233 A282 V283 | P210-P239 HydrophobicContact CB-CB 3.92Å; P210-P239 HydrophobicContact CB-CG 4.19Å; P210-P239 HydrophobicContact CG-CB 3.95Å; A233-P239 HydrophobicContact CB-CG 3.81Å; P239-A282 HydrophobicContact CB-CB 4.2Å; P239-V283 CarbonylContact C-O 3.56Å; P239-V283 VanDerWaalsContact CA-O 3.25Å; P239-V283 WeakPolarHBondContact CA-O 3.41Å |
| 240 | V | 86.4 | Confident | 79.9 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.2 | 169 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | V242 A282 V283 | V240-V242 HydrophobicContact CG1-CG2 4.27Å; V240-A282 WeakPolarHBondContact O-CA 3.2Å; V240-V283 PolarHBondContact N-O 3.39Å; V240-V283 PolarHBondContact O-N 3.34Å |
| 241 | V | 87.7 | Confident | 79 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.8 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | A233 C280 | A233-V241 HydrophobicContact CB-CG2 4.22Å; V241-C280 VanDerWaalsContact CG1-SG 3.57Å |
| 242 | V | 86.9 | Confident | 78.4 | Confident | 71 Ų | 71 | 61 Ų | 61 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.4 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | V240 R281 | V240-V242 HydrophobicContact CG1-CG2 4.27Å; V242-R281 PolarHBondContact N-O 3.02Å; V242-R281 PolarHBondContact O-N 3.42Å |
| 243 | W | 88.1 | Confident | 77.8 | Confident | 16 Ų | 16 | 56 Ų | 56 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.5 | 177.5 | -76.1 | 94.4 | 0 | 0 | 0 | 111.9 | P216 L229 C231 I252 G263 L265 I279 C280 | P216-W243 HydrophobicContact CB-CH2 3.6Å; P216-W243 HydrophobicContact CB-CZ3 4.28Å; P216-W243 HydrophobicContact CG-CH2 4.01Å; P216-W243 HydrophobicContact CG-CZ3 4.36Å; L229-W243 HydrophobicContact CB-CH2 3.76Å; L229-W243 HydrophobicContact CB-CZ2 4.06Å; L229-W243 HydrophobicContact CD1-CH2 4.11Å; L229-W243 HydrophobicContact CD1-CZ3 4.19Å; L229-W243 HydrophobicContact CD2-CH2 4.45Å; L229-W243 HydrophobicContact CG-CH2 4.35Å; L229-W243 WeakPolarHBondContact O-CZ2 3.16Å; C231-W243 HydrophobicContact CB-CH2 4.18Å; C231-W243 HydrophobicContact CB-CZ2 3.54Å; W243-I252 HydrophobicContact CB-CD1 3.88Å; W243-G263 PolarHBondContact NE1-O 3.21Å; W243-L265 HydrophobicContact CB-CD2 4.42Å; W243-L265 HydrophobicContact CD2-CB 4.35Å; W243-L265 HydrophobicContact CD2-CD2 4.06Å; W243-L265 HydrophobicContact CE3-CD2 4.33Å; W243-L265 HydrophobicContact CG-CD2 4.12Å; W243-L265 HydrophobicContact CZ2-CB 4.17Å; W243-I279 WeakPolarHBondContact CA-O 3.43Å; W243-C280 HydrophobicContact CD2-CB 4.28Å; W243-C280 HydrophobicContact CE3-CB 4.1Å; W243-C280 HydrophobicContact CH2-CB 4.03Å; W243-C280 HydrophobicContact CZ2-CB 4.16Å; W243-C280 HydrophobicContact CZ3-CB 3.96Å |
| 244 | R | 84.3 | Confident | 77.4 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152.8 | 167.8 | 66.8 | -171.4 | -172.9 | 83.3 | -0.4 | 110.8 | E246 I279 E290 | R244-E246 IonicContact CZ-OE2 3.71Å; R244-E246 IonicContact NH1-OE1 2.62Å; R244-E246 IonicContact NH1-OE2 3.34Å; R244-E246 PolarHBondContact NH1-OE2 3.14Å; R244-E246 IonicContact NH2-OE2 3.65Å; R244-I279 HydrophobicContact CG-CB 3.74Å; R244-I279 HydrophobicContact CG-CG2 4.21Å; R244-I279 PolarHBondContact N-O 3.42Å; R244-I279 PolarHBondContact O-N 3.42Å; R244-E290 IonicContact CZ-OE1 2.7Å; R244-E290 IonicContact CZ-OE2 2.86Å; R244-E290 IonicContact NE-OE1 2.75Å; R244-E290 PolarHBondContact NE-OE1 2.86Å; R244-E290 IonicContact NE-OE2 3.77Å; R244-E290 PolarHBondContact NE-OE2 2.84Å; R244-E290 IonicContact NH2-OE1 2.73Å; R244-E290 IonicContact NH2-OE2 3.76Å; R244-E290 PolarHBondContact NH2-OE2 2.87Å |
| 245 | R | 84.6 | Confident | 77 | Confident | 20 Ų | 20 | 67 Ų | 67 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.5 | 169.4 | -175.2 | 175.9 | 175.3 | -171.1 | 1.8 | 108.9 | P247 S248 P250 I252 D273 S275 Y277 Y278 | R245-P247 CarbonylContact C-O 3.58Å; R245-P247 CarbonylContact O-C 3.58Å; R245-S248 WeakPolarHBondContact O-CA 3.41Å; R245-S248 PolarHBondContact O-N 3.49Å; R245-S248 PolarHBondContact O-OG 3.07Å; R245-P250 WeakPolarHBondContact CD-O 3.46Å; R245-I252 HydrophobicContact CB-CG1 4.07Å; R245-D273 VanDerWaalsContact CZ-O 3.27Å; R245-D273 PolarHBondContact NH1-O 3.06Å; R245-D273 PolarHBondContact NH2-O 2.86Å; R245-S275 PolarHBondContact NH2-O 3.24Å; R245-Y277 WeakPolarHBondContact CA-O 3.36Å; R245-Y278 HydrophobicContact CB-CE1 4.34Å; R245-Y278 HydrophobicContact CG-CE1 4.34Å; R245-Y278 HydrophobicContact CG-CE2 4.5Å |
| 246 | E | 74 | Confident | 77.1 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.7 | 179.8 | -168.5 | 145.3 | -149.6 | 0 | 0 | 110.6 | R244 Y277 I279 | R244-E246 IonicContact CZ-OE2 3.71Å; R244-E246 IonicContact NH1-OE1 2.62Å; R244-E246 IonicContact NH1-OE2 3.34Å; R244-E246 PolarHBondContact NH1-OE2 3.14Å; R244-E246 IonicContact NH2-OE2 3.65Å; E246-Y277 PolarHBondContact N-O 2.73Å; E246-I279 HydrophobicContact CB-CD1 4.04Å; E246-I279 WeakPolarHBondContact OE2-CD1 3.4Å |
| 247 | P | 63.3 | Low | 77 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | S | Bend | cis | -60.5 | 156.8 | -8.2 | 29.2 | -36.3 | 0 | 0 | 0 | 112.3 | R245 V249 | R245-P247 CarbonylContact C-O 3.58Å; R245-P247 CarbonylContact O-C 3.58Å; P247-V249 PolarHBondContact O-N 2.86Å; P247-V249 VanDerWaalsContact O-N 3.16Å |
| 248 | S | 57.6 | Low | 76.9 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 57% | 0.573 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -76.7 | 2.5 | -172.7 | -54.3 | 0 | 0 | 0 | 0 | 115.1 | R245 P250 S251 | R245-S248 WeakPolarHBondContact O-CA 3.41Å; R245-S248 PolarHBondContact O-N 3.49Å; R245-S248 PolarHBondContact O-OG 3.07Å; S248-P250 CarbonylContact O-C 3.59Å; S248-S251 PolarHBondContact O-N 3.48Å |
| 249 | V | 49.1 | Very low | 76.7 | Confident | 124 Ų | 124 | 71.7 Ų | 71.7 | 75% | 0.752 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -125.5 | 123 | 169 | -178.2 | 0 | 0 | 0 | 0 | 107 | P247 | P247-V249 PolarHBondContact O-N 2.86Å; P247-V249 VanDerWaalsContact O-N 3.16Å |
| 250 | P | 57.4 | Low | 76.4 | Confident | 70 Ų | 70 | 74 Ų | 74 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | S | Bend | cis | -65.1 | 143.2 | -2.4 | -16.6 | 30.7 | 0 | 0 | 0 | 112.6 | R245 S248 | R245-P250 WeakPolarHBondContact CD-O 3.46Å; S248-P250 CarbonylContact O-C 3.59Å |
| 251 | S | 68.8 | Low | 75.7 | Confident | 85 Ų | 85 | 77.8 Ų | 77.8 | 59% | 0.594 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 167.3 | 171.4 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | S248 P253 | S248-S251 PolarHBondContact O-N 3.48Å; S251-P253 WeakPolarHBondContact O-CD 3.46Å |
| 252 | I | 78.7 | Confident | 74.7 | Confident | 10 Ų | 10 | 78.9 Ų | 78.9 | 5% | 0.051 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 121.1 | 177.5 | -61.1 | 176.7 | 0 | 0 | 0 | 108.7 | W243 R245 Y254 V257 L265 Y278 | W243-I252 HydrophobicContact CB-CD1 3.88Å; R245-I252 HydrophobicContact CB-CG1 4.07Å; I252-Y254 VanDerWaalsContact C-N 3.34Å; I252-Y254 HydrophobicContact CB-CE1 4.44Å; I252-Y254 HydrophobicContact CB-CE2 4.08Å; I252-Y254 HydrophobicContact CG2-CD1 4.31Å; I252-Y254 HydrophobicContact CG2-CE1 4.02Å; I252-Y254 HydrophobicContact CG2-CE2 4.45Å; I252-Y254 WeakPolarHBondContact O-CD2 3.31Å; I252-Y254 PolarHBondContact O-N 2.78Å; I252-V257 HydrophobicContact CG2-CB 4.13Å; I252-V257 HydrophobicContact CG2-CG1 3.92Å; I252-V257 HydrophobicContact CG2-CG2 4.41Å; I252-L265 HydrophobicContact CD1-CD2 4.45Å; I252-Y278 HydrophobicContact CG1-CE1 4.22Å |
| 253 | P | 75.6 | Confident | 74.3 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 18% | 0.175 | 42% | 0.417 | C | S | . | . | trans | -80.2 | 79.9 | -172.7 | 29.4 | -31.5 | 0 | 0 | 0 | 111.2 | S251 S255 R256 V257 | S251-P253 WeakPolarHBondContact O-CD 3.46Å; P253-S255 PolarHBondContact O-N 2.93Å; P253-R256 PolarHBondContact O-N 2.91Å; P253-V257 HydrophobicContact CG-CG2 3.93Å; P253-V257 WeakPolarHBondContact O-CB 3.45Å; P253-V257 WeakPolarHBondContact O-CG2 3.45Å; P253-V257 PolarHBondContact O-N 3.06Å | ||
| 254 | Y | 76.9 | Confident | 74.1 | Confident | 155 Ų | 155 | 75.5 Ų | 75.5 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -7.1 | -178.3 | -64.8 | -72.4 | 0 | 0 | 0 | 115.5 | I252 V257 | I252-Y254 VanDerWaalsContact C-N 3.34Å; I252-Y254 HydrophobicContact CB-CE1 4.44Å; I252-Y254 HydrophobicContact CB-CE2 4.08Å; I252-Y254 HydrophobicContact CG2-CD1 4.31Å; I252-Y254 HydrophobicContact CG2-CE1 4.02Å; I252-Y254 HydrophobicContact CG2-CE2 4.45Å; I252-Y254 WeakPolarHBondContact O-CD2 3.31Å; I252-Y254 PolarHBondContact O-N 2.78Å; Y254-V257 WeakPolarHBondContact CA-O 3.43Å |
| 255 | S | 74.6 | Confident | 74.3 | Confident | 117 Ų | 117 | 71.9 Ų | 71.9 | 82% | 0.818 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -35.4 | 167.2 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | P253 | P253-S255 PolarHBondContact O-N 2.93Š|
| 256 | R | 83.8 | Confident | 74.6 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 16% | 0.158 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -18.8 | 174.7 | -68.7 | -165.6 | -69.3 | 93.6 | 5.4 | 113.2 | P253 V268 S269 D274 | P253-R256 PolarHBondContact O-N 2.91Å; R256-V268 PolarHBondContact O-N 3.3Å; R256-S269 WeakPolarHBondContact CD-O 3.07Å; R256-S269 PolarHBondContact NH1-O 3.32Å; R256-D274 IonicContact CZ-OD1 3.6Å; R256-D274 IonicContact CZ-OD2 2.69Å; R256-D274 IonicContact NH1-OD1 2.7Å; R256-D274 PolarHBondContact NH1-OD1 2.84Å; R256-D274 IonicContact NH1-OD2 3.15Å; R256-D274 PolarHBondContact NH1-OD2 3.21Å; R256-D274 VanDerWaalsContact NH2-CG 3.33Å; R256-D274 IonicContact NH2-OD1 3.45Å; R256-D274 PolarHBondContact NH2-OD1 3.29Å; R256-D274 IonicContact NH2-OD2 2.7Å; R256-D274 PolarHBondContact NH2-OD2 2.87Å |
| 257 | V | 82.7 | Confident | 75.3 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.2 | -171.6 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | I252 P253 Y254 L265 R266 F267 | I252-V257 HydrophobicContact CG2-CB 4.13Å; I252-V257 HydrophobicContact CG2-CG1 3.92Å; I252-V257 HydrophobicContact CG2-CG2 4.41Å; P253-V257 HydrophobicContact CG-CG2 3.93Å; P253-V257 WeakPolarHBondContact O-CB 3.45Å; P253-V257 WeakPolarHBondContact O-CG2 3.45Å; P253-V257 PolarHBondContact O-N 3.06Å; Y254-V257 WeakPolarHBondContact CA-O 3.43Å; V257-L265 HydrophobicContact CG1-CD1 3.46Å; V257-L265 VanDerWaalsContact CG1-CD1 3.46Å; V257-L265 HydrophobicContact CG1-CD2 4.14Å; V257-L265 HydrophobicContact CG1-CG 3.55Å; V257-R266 CarbonylContact C-O 3.59Å; V257-R266 VanDerWaalsContact CA-O 3.28Å; V257-R266 WeakPolarHBondContact CA-O 3.34Å; V257-F267 HydrophobicContact CG1-CD2 4.28Å; V257-F267 HydrophobicContact CG1-CE2 4.14Å; V257-F267 HydrophobicContact CG1-CZ 4.29Å; V257-F267 HydrophobicContact CG2-CD1 3.45Å; V257-F267 VanDerWaalsContact CG2-CD1 3.45Å; V257-F267 HydrophobicContact CG2-CD2 4.38Å; V257-F267 HydrophobicContact CG2-CE1 3.56Å; V257-F267 HydrophobicContact CG2-CE2 4.46Å; V257-F267 HydrophobicContact CG2-CG 3.88Å; V257-F267 HydrophobicContact CG2-CZ 4.07Å |
| 258 | R | 82.4 | Confident | 76.1 | Confident | 174 Ų | 174 | 69.5 Ų | 69.5 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.1 | 179.6 | -61.3 | -176.7 | -179.3 | -174.7 | -0 | 110.7 | R266 | R258-R266 PolarHBondContact N-O 2.81Å; R258-R266 PolarHBondContact O-N 2.9Å |
| 259 | L | 81.3 | Confident | 77.3 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.9 | 168.2 | -171.3 | 67.5 | 0 | 0 | 0 | 109.2 | L265 | L259-L265 HydrophobicContact CD1-CD1 4.14Å |
| 260 | L | 81.1 | Confident | 79 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 159.4 | 179.9 | -58.3 | 178.6 | 0 | 0 | 0 | 111.3 | G262 G263 T264 R266 | L260-G262 PolarHBondContact O-N 3Å; L260-G263 PolarHBondContact O-N 2.85Å; L260-G263 VanDerWaalsContact O-N 3.08Å; L260-T264 WeakPolarHBondContact CB-O 3.09Å; L260-T264 HydrophobicContact CD1-CG2 4.15Å; L260-T264 PolarHBondContact N-O 3.4Å; L260-R266 HydrophobicContact CD1-CB 4.21Å; L260-R266 HydrophobicContact CG-CB 4.39Å |
| 261 | L | 70 | Confident | 80.2 | Confident | 178 Ų | 178 | 62.7 Ų | 62.7 | 93% | 0.932 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 131 | 171.4 | -76.7 | 157.4 | 0 | 0 | 0 | 110.4 | ||
| 262 | G | 67.8 | Low | 80.8 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 10.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C231 L260 | C231-G262 VanDerWaalsContact O-O 3.07Å; L260-G262 PolarHBondContact O-N 3Å |
| 263 | G | 77.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 94.3 | 3.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | W243 L260 | W243-G263 PolarHBondContact NE1-O 3.21Å; L260-G263 PolarHBondContact O-N 2.85Å; L260-G263 VanDerWaalsContact O-N 3.08Å |
| 264 | T | 85.3 | Confident | 81.4 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.049 | 35% | 0.347 | C | S | . | . | trans | -76.5 | 133.1 | 178.6 | -63.2 | 0 | 0 | 0 | 0 | 112 | E228 L229 S230 L260 | E228-T264 HydrophobicContact CB-CG2 3.87Å; E228-T264 HydrophobicContact CG-CG2 4.49Å; L229-T264 CarbonylContact O-C 3.42Å; L229-T264 WeakPolarHBondContact O-CA 3.4Å; S230-T264 WeakPolarHBondContact CA-OG1 3.28Å; S230-T264 PolarHBondContact OG-OG1 3.34Å; S230-T264 VanDerWaalsContact OG-OG1 3.08Å; L260-T264 WeakPolarHBondContact CB-O 3.09Å; L260-T264 HydrophobicContact CD1-CG2 4.15Å; L260-T264 PolarHBondContact N-O 3.4Å | ||
| 265 | L | 88.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.5 | -179.1 | -167.8 | 72.1 | 0 | 0 | 0 | 110.7 | E228 L229 W243 I252 V257 L259 F267 Y278 | E228-L265 CarbonylContact C-O 3.59Å; E228-L265 WeakPolarHBondContact CA-O 3.34Å; L229-L265 HydrophobicContact CB-CB 4.23Å; L229-L265 PolarHBondContact N-O 2.92Å; L229-L265 PolarHBondContact O-N 3.21Å; W243-L265 HydrophobicContact CB-CD2 4.42Å; W243-L265 HydrophobicContact CD2-CB 4.35Å; W243-L265 HydrophobicContact CD2-CD2 4.06Å; W243-L265 HydrophobicContact CE3-CD2 4.33Å; W243-L265 HydrophobicContact CG-CD2 4.12Å; W243-L265 HydrophobicContact CZ2-CB 4.17Å; I252-L265 HydrophobicContact CD1-CD2 4.45Å; V257-L265 HydrophobicContact CG1-CD1 3.46Å; V257-L265 VanDerWaalsContact CG1-CD1 3.46Å; V257-L265 HydrophobicContact CG1-CD2 4.14Å; V257-L265 HydrophobicContact CG1-CG 3.55Å; L259-L265 HydrophobicContact CD1-CD1 4.14Å; L265-F267 HydrophobicContact CD2-CE2 3.86Å; L265-F267 HydrophobicContact CD2-CZ 4.15Å; L265-F267 HydrophobicContact CG-CE2 4.01Å; L265-Y278 HydrophobicContact CD2-CD1 4.21Å |
| 266 | R | 89.8 | Confident | 82.3 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.9 | -174.8 | 177.1 | -178.7 | -175.9 | 129.1 | -8.4 | 112.2 | F227 E228 V257 R258 L260 | F227-R266 CarbonylContact O-C 3.6Å; F227-R266 WeakPolarHBondContact O-CA 3.09Å; E228-R266 HydrophobicContact CG-CB 3.87Å; E228-R266 HydrophobicContact CG-CG 3.81Å; E228-R266 WeakPolarHBondContact OE1-CD 3.41Å; E228-R266 IonicContact OE1-CZ 3.45Å; E228-R266 IonicContact OE1-NE 2.75Å; E228-R266 IonicContact OE1-NH1 3.37Å; E228-R266 PolarHBondContact OE1-NH1 3.31Å; V257-R266 CarbonylContact C-O 3.59Å; V257-R266 VanDerWaalsContact CA-O 3.28Å; V257-R266 WeakPolarHBondContact CA-O 3.34Å; R258-R266 PolarHBondContact N-O 2.81Å; R258-R266 PolarHBondContact O-N 2.9Å; L260-R266 HydrophobicContact CD1-CB 4.21Å; L260-R266 HydrophobicContact CG-CB 4.39Å |
| 267 | F | 89.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.3 | 178.4 | -69.7 | -114.8 | 0 | 0 | 0 | 110.6 | V226 F227 L229 V257 L265 D274 Y278 | V226-F267 WeakPolarHBondContact CA-O 3.23Å; V226-F267 WeakPolarHBondContact CG1-O 3.42Å; F227-F267 HydrophobicContact CD1-CB 3.63Å; F227-F267 HydrophobicContact CD1-CD2 4.23Å; F227-F267 AromaticContact CD1-CG 3.94Å; F227-F267 HydrophobicContact CD1-CG 3.94Å; F227-F267 HydrophobicContact CD2-CD2 4.05Å; F227-F267 HydrophobicContact CE1-CB 3.49Å; F227-F267 VanDerWaalsContact CE1-CB 3.49Å; F227-F267 AromaticContact CE1-CD1 3.65Å; F227-F267 HydrophobicContact CE1-CD1 3.65Å; F227-F267 AromaticContact CE1-CD2 3.68Å; F227-F267 HydrophobicContact CE1-CD2 3.68Å; F227-F267 HydrophobicContact CE1-CE1 4.28Å; F227-F267 HydrophobicContact CE1-CE2 4.32Å; F227-F267 AromaticContact CE1-CG 3.32Å; F227-F267 HydrophobicContact CE1-CG 3.32Å; F227-F267 AromaticContact CE2-CD2 3.46Å; F227-F267 HydrophobicContact CE2-CD2 3.46Å; F227-F267 VanDerWaalsContact CE2-CD2 3.46Å; F227-F267 AromaticContact CE2-CE2 3.65Å; F227-F267 HydrophobicContact CE2-CE2 3.65Å; F227-F267 HydrophobicContact CE2-CG 4.03Å; F227-F267 HydrophobicContact CE2-CZ 4.33Å; F227-F267 HydrophobicContact CG-CB 4.32Å; F227-F267 HydrophobicContact CG-CD2 4.43Å; F227-F267 HydrophobicContact CZ-CB 4.04Å; F227-F267 AromaticContact CZ-CD1 3.68Å; F227-F267 HydrophobicContact CZ-CD1 3.68Å; F227-F267 AromaticContact CZ-CD2 3.26Å; F227-F267 HydrophobicContact CZ-CD2 3.26Å; F227-F267 AromaticContact CZ-CE1 3.87Å; F227-F267 HydrophobicContact CZ-CE1 3.87Å; F227-F267 AromaticContact CZ-CE2 3.5Å; F227-F267 HydrophobicContact CZ-CE2 3.5Å; F227-F267 VanDerWaalsContact CZ-CE2 3.5Å; F227-F267 AromaticContact CZ-CG 3.38Å; F227-F267 HydrophobicContact CZ-CG 3.38Å; F227-F267 AromaticContact CZ-CZ 3.79Å; F227-F267 HydrophobicContact CZ-CZ 3.79Å; F227-F267 PolarHBondContact N-O 3.15Å; F227-F267 PolarHBondContact O-N 3.04Å; L229-F267 HydrophobicContact CD1-CE2 4.36Å; V257-F267 HydrophobicContact CG1-CD2 4.28Å; V257-F267 HydrophobicContact CG1-CE2 4.14Å; V257-F267 HydrophobicContact CG1-CZ 4.29Å; V257-F267 HydrophobicContact CG2-CD1 3.45Å; V257-F267 VanDerWaalsContact CG2-CD1 3.45Å; V257-F267 HydrophobicContact CG2-CD2 4.38Å; V257-F267 HydrophobicContact CG2-CE1 3.56Å; V257-F267 HydrophobicContact CG2-CE2 4.46Å; V257-F267 HydrophobicContact CG2-CG 3.88Å; V257-F267 HydrophobicContact CG2-CZ 4.07Å; L265-F267 HydrophobicContact CD2-CE2 3.86Å; L265-F267 HydrophobicContact CD2-CZ 4.15Å; L265-F267 HydrophobicContact CG-CE2 4.01Å; F267-D274 HydrophobicContact CE1-CB 4.34Å; F267-Y278 HydrophobicContact CE1-CE1 4.29Å; F267-Y278 HydrophobicContact CZ-CD1 4.3Å; F267-Y278 AromaticContact CZ-CE1 3.59Å; F267-Y278 HydrophobicContact CZ-CE1 3.59Å; F267-Y278 AromaticContact CZ-CZ 3.72Å |
| 268 | V | 80.8 | Confident | 82.8 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 111.4 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | R256 | R256-V268 PolarHBondContact O-N 3.3Å |
| 269 | S | 82 | Confident | 83.1 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 62 | 97.1 | -168.5 | -165.4 | 0 | 0 | 0 | 0 | 112.8 | S225 R256 | S225-S269 WeakPolarHBondContact O-CA 3.44Å; S225-S269 PolarHBondContact O-N 3.08Å; S225-S269 VanDerWaalsContact O-N 3.12Å; R256-S269 WeakPolarHBondContact CD-O 3.07Å; R256-S269 PolarHBondContact NH1-O 3.32Å |
| 270 | V | 84 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -70.1 | 140.9 | 175.9 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | V221 H224 S225 F227 D274 V297 | V221-V270 HydrophobicContact CG1-CG2 3.9Å; H224-V270 PolarHBondContact N-O 2.9Å; S225-V270 PolarHBondContact O-N 3.46Å; S225-V270 VanDerWaalsContact O-N 3.14Å; F227-V270 HydrophobicContact CD1-CG2 3.42Å; F227-V270 VanDerWaalsContact CD1-CG2 3.42Å; F227-V270 HydrophobicContact CE1-CG1 4.24Å; F227-V270 HydrophobicContact CE1-CG2 3.6Å; V270-D274 HydrophobicContact CG1-CB 4.22Å; V270-V297 HydrophobicContact CG1-CB 4.3Å; V270-V297 HydrophobicContact CG1-CG1 3.67Å; V270-V297 HydrophobicContact CG1-CG2 3.58Å | ||
| 271 | Q | 84 | Confident | 83.9 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | trans | -118.3 | 154.5 | 171 | -62 | -179.3 | -56.4 | 0 | 0 | 109.5 | D273 D274 | Q271-D273 PolarHBondContact O-N 2.83Å; Q271-D273 VanDerWaalsContact O-N 3.12Å; Q271-D274 PolarHBondContact N-OD2 3.35Å; Q271-D274 VanDerWaalsContact O-CB 3.3Å; Q271-D274 WeakPolarHBondContact O-CB 3.36Å; Q271-D274 PolarHBondContact O-N 2.96Å | ||
| 272 | S | 79.7 | Confident | 84.7 | Confident | 66 Ų | 66 | 36.9 Ų | 36.9 | 46% | 0.462 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -51.7 | -37.7 | 178.3 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | D274 S275 | S272-D274 PolarHBondContact O-N 2.94Å; S272-D274 VanDerWaalsContact O-N 3.14Å; S272-S275 WeakPolarHBondContact O-CB 3.38Å; S272-S275 PolarHBondContact O-N 2.89Å; S272-S275 PolarHBondContact O-OG 2.84Å |
| 273 | D | 81.9 | Confident | 85.6 | Confident | 117 Ų | 117 | 36.4 Ų | 36.4 | 63% | 0.626 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -70.1 | -1 | 179.2 | -47.6 | -21.2 | 0 | 0 | 0 | 114.1 | R245 Q271 S275 | R245-D273 VanDerWaalsContact CZ-O 3.27Å; R245-D273 PolarHBondContact NH1-O 3.06Å; R245-D273 PolarHBondContact NH2-O 2.86Å; Q271-D273 PolarHBondContact O-N 2.83Å; Q271-D273 VanDerWaalsContact O-N 3.12Å; D273-S275 VanDerWaalsContact C-N 3.32Å |
| 274 | D | 86.1 | Confident | 86 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -83.8 | -4.9 | 167.1 | -63.1 | -40 | 0 | 0 | 0 | 112.4 | R256 F267 V270 Q271 S272 Y278 V297 | R256-D274 IonicContact CZ-OD1 3.6Å; R256-D274 IonicContact CZ-OD2 2.69Å; R256-D274 IonicContact NH1-OD1 2.7Å; R256-D274 PolarHBondContact NH1-OD1 2.84Å; R256-D274 IonicContact NH1-OD2 3.15Å; R256-D274 PolarHBondContact NH1-OD2 3.21Å; R256-D274 VanDerWaalsContact NH2-CG 3.33Å; R256-D274 IonicContact NH2-OD1 3.45Å; R256-D274 PolarHBondContact NH2-OD1 3.29Å; R256-D274 IonicContact NH2-OD2 2.7Å; R256-D274 PolarHBondContact NH2-OD2 2.87Å; F267-D274 HydrophobicContact CE1-CB 4.34Å; V270-D274 HydrophobicContact CG1-CB 4.22Å; Q271-D274 PolarHBondContact N-OD2 3.35Å; Q271-D274 VanDerWaalsContact O-CB 3.3Å; Q271-D274 WeakPolarHBondContact O-CB 3.36Å; Q271-D274 PolarHBondContact O-N 2.96Å; S272-D274 PolarHBondContact O-N 2.94Å; S272-D274 VanDerWaalsContact O-N 3.14Å; D274-Y278 VanDerWaalsContact O-CE2 3.32Å; D274-Y278 WeakPolarHBondContact O-CE2 3.48Å; D274-Y278 PolarHBondContact O-OH 2.78Å; D274-V297 HydrophobicContact CB-CG2 4.2Å |
| 275 | S | 85.4 | Confident | 85.8 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | trans | -66 | 140.4 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | R245 S272 D273 I295 V297 | R245-S275 PolarHBondContact NH2-O 3.24Å; S272-S275 WeakPolarHBondContact O-CB 3.38Å; S272-S275 PolarHBondContact O-N 2.89Å; S272-S275 PolarHBondContact O-OG 2.84Å; D273-S275 VanDerWaalsContact C-N 3.32Å; S275-I295 CarbonylContact C-O 3.55Å; S275-I295 VanDerWaalsContact CA-O 3.31Å; S275-I295 WeakPolarHBondContact CA-O 3.42Å; S275-V297 VanDerWaalsContact OG-CB 3.24Å; S275-V297 WeakPolarHBondContact OG-CB 3.4Å; S275-V297 WeakPolarHBondContact OG-CG2 3.36Å; S275-V297 PolarHBondContact OG-N 2.96Å | ||
| 276 | G | 85.1 | Confident | 85.3 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.9 | -165.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I295 | G276-I295 PolarHBondContact N-O 2.85Å; G276-I295 PolarHBondContact O-N 2.99Å |
| 277 | Y | 87.1 | Confident | 84.6 | Confident | 81 Ų | 81 | 38.7 Ų | 38.7 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.1 | -175.2 | -61 | -89.3 | 0 | 0 | 0 | 111.6 | R245 E246 V292 Y294 Y1325 | R245-Y277 WeakPolarHBondContact CA-O 3.36Å; E246-Y277 PolarHBondContact N-O 2.73Å; Y277-V292 HydrophobicContact CD1-CG1 3.85Å; Y277-Y294 AromaticContact CD1-CD2 3.87Å; Y277-Y294 HydrophobicContact CD1-CD2 3.87Å; Y277-Y294 HydrophobicContact CD2-CD2 4.01Å; Y277-Y294 HydrophobicContact CD2-CE2 4.23Å; Y277-Y294 AromaticContact CE1-CD2 3.71Å; Y277-Y294 HydrophobicContact CE1-CD2 3.71Å; Y277-Y294 HydrophobicContact CE1-CG 4.47Å; Y277-Y294 AromaticContact CE2-CD2 3.83Å; Y277-Y294 HydrophobicContact CE2-CD2 3.83Å; Y277-Y294 AromaticContact CE2-CE2 3.89Å; Y277-Y294 HydrophobicContact CE2-CE2 3.89Å; Y277-Y294 HydrophobicContact CG-CD2 4.02Å; Y277-Y294 AromaticContact CZ-CD2 3.68Å; Y277-Y1325 HydrophobicContact CE1-CE2 4.45Å; Y277-Y1325 WeakPolarHBondContact CE1-OH 3.32Å |
| 278 | Y | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.2 | 172.8 | -73.2 | -96.8 | 0 | 0 | 0 | 109.4 | L229 R245 I252 L265 F267 D274 A293 I295 | L229-Y278 HydrophobicContact CD1-CG 4.13Å; R245-Y278 HydrophobicContact CB-CE1 4.34Å; R245-Y278 HydrophobicContact CG-CE1 4.34Å; R245-Y278 HydrophobicContact CG-CE2 4.5Å; I252-Y278 HydrophobicContact CG1-CE1 4.22Å; L265-Y278 HydrophobicContact CD2-CD1 4.21Å; F267-Y278 HydrophobicContact CE1-CE1 4.29Å; F267-Y278 HydrophobicContact CZ-CD1 4.3Å; F267-Y278 AromaticContact CZ-CE1 3.59Å; F267-Y278 HydrophobicContact CZ-CE1 3.59Å; F267-Y278 AromaticContact CZ-CZ 3.72Å; D274-Y278 VanDerWaalsContact O-CE2 3.32Å; D274-Y278 WeakPolarHBondContact O-CE2 3.48Å; D274-Y278 PolarHBondContact O-OH 2.78Å; Y278-A293 PolarHBondContact N-O 3.27Å; Y278-A293 PolarHBondContact O-N 2.8Å; Y278-I295 HydrophobicContact CD2-CB 4.19Å; Y278-I295 HydrophobicContact CD2-CG1 3.6Å; Y278-I295 HydrophobicContact CE2-CB 4.2Å; Y278-I295 HydrophobicContact CE2-CG1 3.96Å; Y278-I295 HydrophobicContact CG-CG1 4.42Å |
| 279 | I | 88.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116 | -169.4 | -54.5 | -178.9 | 0 | 0 | 0 | 108.3 | W243 R244 E246 E290 A291 V292 | W243-I279 WeakPolarHBondContact CA-O 3.43Å; R244-I279 HydrophobicContact CG-CB 3.74Å; R244-I279 HydrophobicContact CG-CG2 4.21Å; R244-I279 PolarHBondContact N-O 3.42Å; R244-I279 PolarHBondContact O-N 3.42Å; E246-I279 HydrophobicContact CB-CD1 4.04Å; E246-I279 WeakPolarHBondContact OE2-CD1 3.4Å; I279-E290 HydrophobicContact CG2-CB 3.96Å; I279-E290 HydrophobicContact CG2-CG 4.3Å; I279-A291 WeakPolarHBondContact CA-O 3.18Å; I279-V292 HydrophobicContact CD1-CG1 4.47Å; I279-V292 HydrophobicContact CD1-CG2 4.1Å; I279-V292 HydrophobicContact CG1-CB 4.34Å; I279-V292 HydrophobicContact CG1-CG1 4.04Å; I279-V292 HydrophobicContact CG1-CG2 3.95Å; I279-V292 HydrophobicContact CG2-CG2 4.27Å |
| 280 | C | 90.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124 | 171.6 | -180 | 0 | 0 | 0 | 0 | 109 | F212 P216 C231 V241 W243 E290 A291 | F212-C280 HydrophobicContact CE1-CB 4.48Å; P216-C280 HydrophobicContact CG-CB 3.99Å; C231-C280 HydrophobicContact CB-CB 3.67Å; C231-C280 WeakPolarHBondContact CB-SG 3.5Å; C231-C280 WeakPolarHBondContact SG-CB 3.49Å; C231-C280 CovalentContact SG-SG 2.02Å; C231-C280 PolarHBondContact SG-SG 3.09Å; V241-C280 VanDerWaalsContact CG1-SG 3.57Å; W243-C280 HydrophobicContact CD2-CB 4.28Å; W243-C280 HydrophobicContact CE3-CB 4.1Å; W243-C280 HydrophobicContact CH2-CB 4.03Å; W243-C280 HydrophobicContact CZ2-CB 4.16Å; W243-C280 HydrophobicContact CZ3-CB 3.96Å; C280-E290 CarbonylContact O-C 3.57Å; C280-E290 VanDerWaalsContact O-CA 3.27Å; C280-E290 WeakPolarHBondContact O-CA 3.44Å; C280-A291 PolarHBondContact N-O 2.78Å; C280-A291 PolarHBondContact O-N 2.9Å |
| 281 | R | 88.4 | Confident | 84.5 | Confident | 101 Ų | 101 | 43.5 Ų | 43.5 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.1 | -178.5 | -177.8 | -178 | -170.4 | -125 | -2.2 | 109.3 | V242 V283 V288 V289 E290 | V242-R281 PolarHBondContact N-O 3.02Å; V242-R281 PolarHBondContact O-N 3.42Å; R281-V283 HydrophobicContact CG-CG2 3.91Å; R281-V288 HydrophobicContact CG-CG1 3.77Å; R281-V289 WeakPolarHBondContact CA-O 3.37Å; R281-E290 HydrophobicContact CB-CG 3.96Å; R281-E290 VanDerWaalsContact CD-OE1 3.24Å; R281-E290 WeakPolarHBondContact CD-OE1 3.37Å; R281-E290 HydrophobicContact CG-CG 3.82Å; R281-E290 WeakPolarHBondContact CG-OE1 3.27Å; R281-E290 IonicContact NE-OE1 3.52Å |
| 282 | A | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P210 F212 A233 P239 V240 V288 V289 | P210-A282 HydrophobicContact CB-CB 4.3Å; F212-A282 HydrophobicContact CE1-CB 4.02Å; F212-A282 HydrophobicContact CZ-CB 4.33Å; A233-A282 HydrophobicContact CB-CB 3.44Å; A233-A282 VanDerWaalsContact CB-CB 3.44Å; P239-A282 HydrophobicContact CB-CB 4.2Å; V240-A282 WeakPolarHBondContact O-CA 3.2Å; A282-V288 WeakPolarHBondContact O-CA 3.43Å; A282-V289 HydrophobicContact CB-CG2 3.91Å; A282-V289 PolarHBondContact N-O 3.09Å; A282-V289 PolarHBondContact O-N 2.89Å |
| 283 | V | 86.1 | Confident | 84.9 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 26% | 0.261 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.8 | -170.6 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | P239 V240 R281 V288 | P239-V283 CarbonylContact C-O 3.56Å; P239-V283 VanDerWaalsContact CA-O 3.25Å; P239-V283 WeakPolarHBondContact CA-O 3.41Å; V240-V283 PolarHBondContact N-O 3.39Å; V240-V283 PolarHBondContact O-N 3.34Å; R281-V283 HydrophobicContact CG-CG2 3.91Å; V283-V288 HydrophobicContact CB-CG2 4.46Å; V283-V288 HydrophobicContact CG1-CG2 4.14Å; V283-V288 HydrophobicContact CG2-CG1 4.24Å; V283-V288 HydrophobicContact CG2-CG2 4.17Å |
| 284 | S | 85.7 | Confident | 85.2 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | trans | -135.5 | -178.5 | 164.8 | 77.1 | 0 | 0 | 0 | 0 | 110.4 | P210 P237 T286 G287 | P210-S284 WeakPolarHBondContact CD-OG 3.46Å; P210-S284 WeakPolarHBondContact CG-OG 3.39Å; P237-S284 VanDerWaalsContact O-CB 3.3Å; P237-S284 WeakPolarHBondContact O-CB 3.32Å; S284-T286 PolarHBondContact O-N 3.22Å; S284-T286 PolarHBondContact OG-N 3.02Å; S284-T286 VanDerWaalsContact OG-N 3.12Å; S284-T286 PolarHBondContact OG-OG1 3.12Å; S284-G287 PolarHBondContact N-O 2.88Å; S284-G287 VanDerWaalsContact O-O 3.12Å | ||
| 285 | S | 81.9 | Confident | 85.3 | Confident | 96 Ų | 96 | 37.7 Ų | 37.7 | 67% | 0.671 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70.8 | -12.4 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 286 | T | 77.9 | Confident | 85.2 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -96.3 | -18.4 | 179.9 | 54 | 0 | 0 | 0 | 0 | 113.2 | R207 Q208 R209 E236 S284 | R207-T286 HydrophobicContact CB-CG2 3.9Å; R207-T286 HydrophobicContact CG-CG2 4.14Å; Q208-T286 PolarHBondContact O-OG1 3.19Å; R209-T286 WeakPolarHBondContact CA-OG1 3.13Å; R209-T286 WeakPolarHBondContact CG-O 3.34Å; R209-T286 PolarHBondContact NE-O 2.8Å; E236-T286 WeakPolarHBondContact O-CG2 3.33Å; S284-T286 PolarHBondContact O-N 3.22Å; S284-T286 PolarHBondContact OG-N 3.02Å; S284-T286 VanDerWaalsContact OG-N 3.12Å; S284-T286 PolarHBondContact OG-OG1 3.12Å |
| 287 | G | 75.2 | Confident | 85.1 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | trans | 169.8 | -172.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S284 | S284-G287 PolarHBondContact N-O 2.88Å; S284-G287 VanDerWaalsContact O-O 3.12Å | ||
| 288 | V | 81.8 | Confident | 84.7 | Confident | 69 Ų | 69 | 34.9 Ų | 34.9 | 42% | 0.418 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.8 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | R281 A282 V283 | R281-V288 HydrophobicContact CG-CG1 3.77Å; A282-V288 WeakPolarHBondContact O-CA 3.43Å; V283-V288 HydrophobicContact CB-CG2 4.46Å; V283-V288 HydrophobicContact CG1-CG2 4.14Å; V283-V288 HydrophobicContact CG2-CG1 4.24Å; V283-V288 HydrophobicContact CG2-CG2 4.17Å |
| 289 | V | 80 | Confident | 84.1 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.7 | 167.7 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | P210 F212 R281 A282 | P210-V289 HydrophobicContact CB-CG2 3.92Å; P210-V289 WeakPolarHBondContact O-CG1 3.42Å; F212-V289 HydrophobicContact CD2-CG2 4.07Å; F212-V289 HydrophobicContact CE1-CG2 4.42Å; F212-V289 HydrophobicContact CE2-CB 3.95Å; F212-V289 HydrophobicContact CE2-CG2 3.51Å; F212-V289 HydrophobicContact CZ-CB 4.4Å; F212-V289 HydrophobicContact CZ-CG2 3.72Å; R281-V289 WeakPolarHBondContact CA-O 3.37Å; A282-V289 HydrophobicContact CB-CG2 3.91Å; A282-V289 PolarHBondContact N-O 3.09Å; A282-V289 PolarHBondContact O-N 2.89Å |
| 290 | E | 88.3 | Confident | 83.3 | Confident | 79 Ų | 79 | 40.6 Ų | 40.6 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.7 | 178.3 | -65.4 | -161.8 | 141 | 0 | 0 | 111.1 | R244 I279 C280 R281 | R244-E290 IonicContact CZ-OE1 2.7Å; R244-E290 IonicContact CZ-OE2 2.86Å; R244-E290 IonicContact NE-OE1 2.75Å; R244-E290 PolarHBondContact NE-OE1 2.86Å; R244-E290 IonicContact NE-OE2 3.77Å; R244-E290 PolarHBondContact NE-OE2 2.84Å; R244-E290 IonicContact NH2-OE1 2.73Å; R244-E290 IonicContact NH2-OE2 3.76Å; R244-E290 PolarHBondContact NH2-OE2 2.87Å; I279-E290 HydrophobicContact CG2-CB 3.96Å; I279-E290 HydrophobicContact CG2-CG 4.3Å; C280-E290 CarbonylContact O-C 3.57Å; C280-E290 VanDerWaalsContact O-CA 3.27Å; C280-E290 WeakPolarHBondContact O-CA 3.44Å; R281-E290 HydrophobicContact CB-CG 3.96Å; R281-E290 VanDerWaalsContact CD-OE1 3.24Å; R281-E290 WeakPolarHBondContact CD-OE1 3.37Å; R281-E290 HydrophobicContact CG-CG 3.82Å; R281-E290 WeakPolarHBondContact CG-OE1 3.27Å; R281-E290 IonicContact NE-OE1 3.52Å |
| 291 | A | 84.1 | Confident | 82.5 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 12% | 0.116 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | F212 P216 I279 C280 | F212-A291 HydrophobicContact CD2-CB 3.92Å; F212-A291 HydrophobicContact CE1-CB 4.25Å; F212-A291 HydrophobicContact CE2-CB 3.5Å; F212-A291 VanDerWaalsContact CE2-CB 3.5Å; F212-A291 HydrophobicContact CG-CB 4.45Å; F212-A291 HydrophobicContact CZ-CB 3.69Å; P216-A291 HydrophobicContact CG-CB 4.24Å; I279-A291 WeakPolarHBondContact CA-O 3.18Å; C280-A291 PolarHBondContact N-O 2.78Å; C280-A291 PolarHBondContact O-N 2.9Å |
| 292 | V | 86.5 | Confident | 81.8 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.1 | -168.8 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | Y277 I279 | Y277-V292 HydrophobicContact CD1-CG1 3.85Å; I279-V292 HydrophobicContact CD1-CG1 4.47Å; I279-V292 HydrophobicContact CD1-CG2 4.1Å; I279-V292 HydrophobicContact CG1-CB 4.34Å; I279-V292 HydrophobicContact CG1-CG1 4.04Å; I279-V292 HydrophobicContact CG1-CG2 3.95Å; I279-V292 HydrophobicContact CG2-CG2 4.27Å |
| 293 | A | 86 | Confident | 81 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | P216 L229 Y278 | P216-A293 HydrophobicContact CB-CB 3.91Å; P216-A293 HydrophobicContact CG-CB 4.2Å; L229-A293 HydrophobicContact CD2-CB 4.15Å; Y278-A293 PolarHBondContact N-O 3.27Å; Y278-A293 PolarHBondContact O-N 2.8Å |
| 294 | Y | 87 | Confident | 80.3 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.1 | 172 | -174 | -94.5 | 0 | 0 | 0 | 110.2 | S218 Q219 Y277 N296 | S218-Y294 CarbonylContact C-O 3.48Å; S218-Y294 WeakPolarHBondContact CA-O 3.35Å; S218-Y294 VanDerWaalsContact CB-O 3.29Å; S218-Y294 WeakPolarHBondContact CB-O 3.42Å; S218-Y294 PolarHBondContact OG-N 3.07Å; Q219-Y294 PolarHBondContact N-O 2.86Å; Q219-Y294 VanDerWaalsContact N-O 3.08Å; Y277-Y294 AromaticContact CD1-CD2 3.87Å; Y277-Y294 HydrophobicContact CD1-CD2 3.87Å; Y277-Y294 HydrophobicContact CD2-CD2 4.01Å; Y277-Y294 HydrophobicContact CD2-CE2 4.23Å; Y277-Y294 AromaticContact CE1-CD2 3.71Å; Y277-Y294 HydrophobicContact CE1-CD2 3.71Å; Y277-Y294 HydrophobicContact CE1-CG 4.47Å; Y277-Y294 AromaticContact CE2-CD2 3.83Å; Y277-Y294 HydrophobicContact CE2-CD2 3.83Å; Y277-Y294 AromaticContact CE2-CE2 3.89Å; Y277-Y294 HydrophobicContact CE2-CE2 3.89Å; Y277-Y294 HydrophobicContact CG-CD2 4.02Å; Y277-Y294 AromaticContact CZ-CD2 3.68Å; Y294-N296 HydrophobicContact CD1-CB 4.16Å; Y294-N296 HydrophobicContact CE1-CB 3.84Å |
| 295 | I | 88.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.3 | 173.8 | -56.5 | -52.9 | 0 | 0 | 0 | 108.7 | Q219 F227 L229 S275 G276 Y278 V297 | Q219-I295 HydrophobicContact CG-CD1 3.49Å; Q219-I295 VanDerWaalsContact CG-CD1 3.49Å; F227-I295 HydrophobicContact CE2-CD1 4.08Å; F227-I295 HydrophobicContact CE2-CG1 4.31Å; F227-I295 HydrophobicContact CE2-CG2 4.45Å; F227-I295 HydrophobicContact CZ-CG1 4.35Å; F227-I295 HydrophobicContact CZ-CG2 3.91Å; L229-I295 HydrophobicContact CD1-CD1 3.92Å; L229-I295 HydrophobicContact CD1-CG1 4.06Å; L229-I295 HydrophobicContact CD2-CD1 3.99Å; L229-I295 HydrophobicContact CG-CD1 4.12Å; S275-I295 CarbonylContact C-O 3.55Å; S275-I295 VanDerWaalsContact CA-O 3.31Å; S275-I295 WeakPolarHBondContact CA-O 3.42Å; G276-I295 PolarHBondContact N-O 2.85Å; G276-I295 PolarHBondContact O-N 2.99Å; Y278-I295 HydrophobicContact CD2-CB 4.19Å; Y278-I295 HydrophobicContact CD2-CG1 3.6Å; Y278-I295 HydrophobicContact CE2-CB 4.2Å; Y278-I295 HydrophobicContact CE2-CG1 3.96Å; Y278-I295 HydrophobicContact CG-CG1 4.42Å; I295-V297 HydrophobicContact CG2-CG2 4.22Å |
| 296 | N | 83.5 | Confident | 79.3 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 106.5 | 178.3 | -177 | 45.7 | 0 | 0 | 0 | 109.2 | Q219 S220 V221 Y294 V298 | Q219-N296 PolarHBondContact O-N 2.96Å; S220-N296 CarbonylContact C-O 3.6Å; S220-N296 VanDerWaalsContact CA-O 3.26Å; S220-N296 WeakPolarHBondContact CA-O 3.28Å; S220-N296 PolarHBondContact OG-ND2 2.84Å; S220-N296 VanDerWaalsContact OG-ND2 3.16Å; V221-N296 PolarHBondContact N-O 2.94Å; Y294-N296 HydrophobicContact CD1-CB 4.16Å; Y294-N296 HydrophobicContact CE1-CB 3.84Å; N296-V298 WeakPolarHBondContact ND2-CG1 3.43Å; N296-V298 PolarHBondContact O-N 2.97Å |
| 297 | V | 83.5 | Confident | 79.2 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.3 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | V221 V223 V270 D274 S275 I295 S328 | V221-V297 WeakPolarHBondContact O-CA 3.38Å; V223-V297 HydrophobicContact CB-CG1 4.46Å; V223-V297 HydrophobicContact CG2-CG1 3.36Å; V270-V297 HydrophobicContact CG1-CB 4.3Å; V270-V297 HydrophobicContact CG1-CG1 3.67Å; V270-V297 HydrophobicContact CG1-CG2 3.58Å; D274-V297 HydrophobicContact CB-CG2 4.2Å; S275-V297 VanDerWaalsContact OG-CB 3.24Å; S275-V297 WeakPolarHBondContact OG-CB 3.4Å; S275-V297 WeakPolarHBondContact OG-CG2 3.36Å; S275-V297 PolarHBondContact OG-N 2.96Å; I295-V297 HydrophobicContact CG2-CG2 4.22Å; V297-S328 WeakPolarHBondContact O-CB 3.43Å; V297-S328 PolarHBondContact O-OG 3.5Å |
| 298 | V | 78.5 | Confident | 79.1 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 146.3 | -172.7 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | V221 P222 V223 N296 S328 T383 | V221-V298 PolarHBondContact O-N 2.83Å; P222-V298 WeakPolarHBondContact CA-O 3.44Å; P222-V298 HydrophobicContact CG-CG2 4.39Å; V223-V298 PolarHBondContact N-O 2.85Å; V223-V298 VanDerWaalsContact N-O 3.11Å; N296-V298 WeakPolarHBondContact ND2-CG1 3.43Å; N296-V298 PolarHBondContact O-N 2.97Å; V298-S328 CarbonylContact C-O 3.54Å; V298-S328 VanDerWaalsContact CA-O 3.22Å; V298-S328 WeakPolarHBondContact CA-O 3.38Å; V298-S328 WeakPolarHBondContact CB-O 3.35Å; V298-T383 HydrophobicContact CB-CG2 3.8Å; V298-T383 HydrophobicContact CG2-CG2 3.77Å |
| 299 | T | 76.8 | Confident | 78.7 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.3 | 179.5 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | V223 G327 S328 T383 | V223-T299 HydrophobicContact CB-CG2 3.98Å; V223-T299 HydrophobicContact CG2-CG2 3.31Å; T299-G327 WeakPolarHBondContact OG1-CA 3.34Å; T299-S328 PolarHBondContact N-O 3.5Å; T299-S328 PolarHBondContact O-N 3.02Å; T299-S328 WeakPolarHBondContact OG1-CB 3.4Å; T299-S328 PolarHBondContact OG1-N 3.38Å; T299-T383 PolarHBondContact O-OG1 2.81Å; T299-T383 VanDerWaalsContact O-OG1 3.06Å |
| 300 | P | 72.1 | Confident | 78.5 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 155.8 | 175.6 | 30.3 | -35.4 | 0 | 0 | 0 | 111.6 | G302 T383 | P300-G302 PolarHBondContact O-N 2.79Å; P300-T383 WeakPolarHBondContact CA-OG1 3.37Å |
| 301 | P | 74.6 | Confident | 77.8 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 120.4 | 178.1 | -27.5 | 38.5 | 0 | 0 | 0 | 113.5 | T326 P331 A379 S381 G384 T386 | P301-T326 CarbonylContact C-O 3.54Å; P301-T326 WeakPolarHBondContact CA-O 3.45Å; P301-P331 HydrophobicContact CB-CB 3.99Å; P301-P331 HydrophobicContact CB-CG 3.74Å; P301-P331 HydrophobicContact CG-CB 3.98Å; P301-P331 HydrophobicContact CG-CG 3.86Å; P301-A379 HydrophobicContact CB-CB 4.34Å; P301-S381 WeakPolarHBondContact CD-OG 3.38Å; P301-S381 VanDerWaalsContact CG-OG 3.23Å; P301-S381 WeakPolarHBondContact CG-OG 3.44Å; P301-G384 WeakPolarHBondContact CD-O 3.42Å; P301-G384 VanDerWaalsContact CG-O 3.28Å; P301-G384 WeakPolarHBondContact CG-O 3.44Å; P301-T386 HydrophobicContact CB-CG2 3.9Å; P301-T386 WeakPolarHBondContact O-CG2 3.48Å |
| 302 | G | 72.5 | Confident | 77.3 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 146.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P300 V325 T326 | P300-G302 PolarHBondContact O-N 2.79Å; G302-V325 CarbonylContact O-C 3.51Å; G302-V325 VanDerWaalsContact O-CA 3.25Å; G302-V325 WeakPolarHBondContact O-CA 3.36Å; G302-T326 PolarHBondContact N-O 3.01Å; G302-T326 PolarHBondContact O-N 2.81Å |
| 303 | L | 71.9 | Confident | 76.5 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.9 | 170.7 | -74.8 | 156.5 | 0 | 0 | 0 | 109 | T306 V325 T386 | L303-T306 HydrophobicContact CB-CG2 3.87Å; L303-T306 HydrophobicContact CD1-CG2 4.09Å; L303-T306 HydrophobicContact CD2-CG2 4.33Å; L303-T306 HydrophobicContact CG-CG2 4.32Å; L303-V325 HydrophobicContact CD2-CG1 4.07Å; L303-T386 HydrophobicContact CD1-CG2 3.97Å; L303-T386 WeakPolarHBondContact CD1-OG1 3.47Å; L303-T386 HydrophobicContact CG-CG2 3.75Å |
| 304 | V | 70.7 | Confident | 75.6 | Confident | 97 Ų | 97 | 43.1 Ų | 43.1 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -40.8 | 177.2 | -179.9 | 0 | 0 | 0 | 0 | 111 | S324 T326 | V304-S324 PolarHBondContact N-O 2.76Å; V304-T326 HydrophobicContact CG2-CG2 3.59Å |
| 305 | V | 72.6 | Confident | 75 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.9 | 172 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | F322 C323 S324 | V305-F322 HydrophobicContact CG1-CB 3.8Å; V305-C323 WeakPolarHBondContact O-CA 3.23Å; V305-S324 PolarHBondContact N-O 3.46Å; V305-S324 VanDerWaalsContact N-O 3.17Å; V305-S324 PolarHBondContact O-N 3.22Å |
| 306 | T | 74.7 | Confident | 74.2 | Confident | 75 Ų | 75 | 44.7 Ų | 44.7 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 146.6 | 172.8 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | L303 F322 | L303-T306 HydrophobicContact CB-CG2 3.87Å; L303-T306 HydrophobicContact CD1-CG2 4.09Å; L303-T306 HydrophobicContact CD2-CG2 4.33Å; L303-T306 HydrophobicContact CG-CG2 4.32Å; T306-F322 CarbonylContact C-O 3.48Å |
| 307 | P | 75.1 | Confident | 73.8 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 152.9 | 170.8 | 33.1 | -39.6 | 0 | 0 | 0 | 111 | L321 F322 W335 T390 | P307-L321 HydrophobicContact CB-CB 4.37Å; P307-F322 VanDerWaalsContact CD-O 3.26Å; P307-F322 WeakPolarHBondContact CD-O 3.24Å; P307-F322 VanDerWaalsContact N-O 3.12Å; P307-W335 HydrophobicContact CB-CH2 4.03Å; P307-W335 HydrophobicContact CG-CH2 3.78Å; P307-W335 HydrophobicContact CG-CZ3 4.2Å; P307-T390 VanDerWaalsContact CB-OG1 3.24Å; P307-T390 WeakPolarHBondContact CB-OG1 3.38Å; P307-T390 WeakPolarHBondContact CG-OG1 3.49Å |
| 308 | P | 73.6 | Confident | 73.7 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 140.5 | 170.3 | -25.5 | 32.5 | 0 | 0 | 0 | 112.4 | K310 I311 T390 | P308-K310 PolarHBondContact O-N 2.94Å; P308-K310 VanDerWaalsContact O-N 3.14Å; P308-I311 HydrophobicContact CB-CD1 4.37Å; P308-I311 HydrophobicContact CB-CG1 4.06Å; P308-I311 HydrophobicContact CG-CD1 4.26Å; P308-I311 HydrophobicContact CG-CG1 4.37Å; P308-T390 WeakPolarHBondContact O-CB 3.43Å; P308-T390 WeakPolarHBondContact O-CG2 3.4Å; P308-T390 PolarHBondContact O-OG1 3.38Å |
| 309 | S | 72.8 | Confident | 74 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 57% | 0.566 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -64.8 | -21 | -175.2 | -45 | 0 | 0 | 0 | 0 | 114.6 | T390 D391 | S309-T390 WeakPolarHBondContact O-CA 3.45Å; S309-D391 PolarHBondContact O-N 3.23Å |
| 310 | K | 74.6 | Confident | 74.4 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.5 | 170.4 | -64.5 | -161.6 | 173.1 | -176.2 | 0 | 110.4 | P308 Y312 D391 D637 | P308-K310 PolarHBondContact O-N 2.94Å; P308-K310 VanDerWaalsContact O-N 3.14Å; K310-Y312 HydrophobicContact CB-CE2 4.21Å; K310-Y312 HydrophobicContact CD-CE2 4.45Å; K310-D391 CarbonylContact C-O 3.49Å; K310-D391 WeakPolarHBondContact CA-O 3.39Å; K310-D391 HydrophobicContact CG-CB 4.21Å; K310-D637 VanDerWaalsContact NZ-CG 3.32Å; K310-D637 IonicContact NZ-OD1 3.37Å; K310-D637 PolarHBondContact NZ-OD1 3.02Å; K310-D637 IonicContact NZ-OD2 3.54Å; K310-D637 PolarHBondContact NZ-OD2 3.4Å; K310-D637 VanDerWaalsContact NZ-OD2 3.14Å |
| 311 | I | 74.5 | Confident | 75.1 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.3 | 175.2 | -67.6 | 175.6 | 0 | 0 | 0 | 109.5 | P308 V319 L321 T390 D391 I392 Q393 | P308-I311 HydrophobicContact CB-CD1 4.37Å; P308-I311 HydrophobicContact CB-CG1 4.06Å; P308-I311 HydrophobicContact CG-CD1 4.26Å; P308-I311 HydrophobicContact CG-CG1 4.37Å; I311-V319 HydrophobicContact CG2-CG1 4.24Å; I311-L321 HydrophobicContact CD1-CD2 3.36Å; I311-T390 HydrophobicContact CB-CG2 4.44Å; I311-T390 HydrophobicContact CD1-CG2 3.98Å; I311-T390 HydrophobicContact CG1-CG2 4.12Å; I311-D391 PolarHBondContact N-O 3.17Å; I311-I392 WeakPolarHBondContact O-CA 3.41Å; I311-Q393 PolarHBondContact O-N 2.86Å |
| 312 | Y | 73.3 | Confident | 75.6 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.9 | 177.1 | -66.7 | -104.3 | 0 | 0 | 0 | 108.6 | K310 Q393 L395 Y663 | K310-Y312 HydrophobicContact CB-CE2 4.21Å; K310-Y312 HydrophobicContact CD-CE2 4.45Å; Y312-Q393 WeakPolarHBondContact CA-O 3.2Å; Y312-Q393 HydrophobicContact CD1-CB 3.9Å; Y312-Q393 HydrophobicContact CE1-CB 4.07Å; Y312-Q393 HydrophobicContact CE1-CG 4.28Å; Y312-L395 HydrophobicContact CD1-CD1 4.37Å; Y312-Y663 HydrophobicContact CD1-CD1 4.22Å; Y312-Y663 HydrophobicContact CD1-CD2 4Å; Y312-Y663 AromaticContact CD1-CE1 3.77Å; Y312-Y663 HydrophobicContact CD1-CE1 3.77Å; Y312-Y663 AromaticContact CD1-CE2 3.5Å; Y312-Y663 HydrophobicContact CD1-CE2 3.5Å; Y312-Y663 HydrophobicContact CD1-CG 4.32Å; Y312-Y663 AromaticContact CD1-CZ 3.36Å; Y312-Y663 AromaticContact CD2-CD1 3.95Å; Y312-Y663 HydrophobicContact CD2-CD1 3.95Å; Y312-Y663 AromaticContact CD2-CD2 3.18Å; Y312-Y663 HydrophobicContact CD2-CD2 3.18Å; Y312-Y663 HydrophobicContact CD2-CE1 4.29Å; Y312-Y663 AromaticContact CD2-CE2 3.58Å; Y312-Y663 HydrophobicContact CD2-CE2 3.58Å; Y312-Y663 AromaticContact CD2-CG 3.37Å; Y312-Y663 HydrophobicContact CD2-CG 3.37Å; Y312-Y663 AromaticContact CE1-CD1 3.82Å; Y312-Y663 HydrophobicContact CE1-CD1 3.82Å; Y312-Y663 HydrophobicContact CE1-CD2 4.39Å; Y312-Y663 AromaticContact CE1-CE1 3.5Å; Y312-Y663 HydrophobicContact CE1-CE1 3.5Å; Y312-Y663 VanDerWaalsContact CE1-CE1 3.5Å; Y312-Y663 HydrophobicContact CE1-CE2 4.1Å; Y312-Y663 HydrophobicContact CE1-CG 4.25Å; Y312-Y663 AromaticContact CE1-CZ 3.63Å; Y312-Y663 AromaticContact CE2-CD1 3.54Å; Y312-Y663 HydrophobicContact CE2-CD1 3.54Å; Y312-Y663 AromaticContact CE2-CD2 3.68Å; Y312-Y663 HydrophobicContact CE2-CD2 3.68Å; Y312-Y663 HydrophobicContact CE2-CE1 4.09Å; Y312-Y663 HydrophobicContact CE2-CE2 4.19Å; Y312-Y663 AromaticContact CE2-CG 3.31Å; Y312-Y663 HydrophobicContact CE2-CG 3.31Å; Y312-Y663 HydrophobicContact CG-CD1 4.27Å; Y312-Y663 AromaticContact CG-CD2 3.37Å; Y312-Y663 HydrophobicContact CG-CD2 3.37Å; Y312-Y663 HydrophobicContact CG-CE1 4.15Å; Y312-Y663 AromaticContact CG-CE2 3.19Å; Y312-Y663 HydrophobicContact CG-CE2 3.19Å; Y312-Y663 AromaticContact CG-CG 3.9Å; Y312-Y663 HydrophobicContact CG-CG 3.9Å; Y312-Y663 AromaticContact CG-CZ 3.61Å; Y312-Y663 AromaticContact CZ-CD1 3.46Å; Y312-Y663 VanDerWaalsContact CZ-CD1 3.46Å; Y312-Y663 AromaticContact CZ-CE1 3.68Å; Y312-Y663 AromaticContact CZ-CG 3.77Å |
| 313 | A | 69.6 | Low | 76.1 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 153 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V319 A367 Q393 V394 L395 | A313-V319 HydrophobicContact CB-CG2 3.41Å; A313-V319 VanDerWaalsContact CB-CG2 3.41Å; A313-A367 HydrophobicContact CB-CB 4.05Å; A313-Q393 PolarHBondContact N-O 3.24Å; A313-V394 HydrophobicContact CB-CG2 4.39Å; A313-V394 WeakPolarHBondContact O-CA 3.4Å; A313-L395 PolarHBondContact O-N 2.86Å |
| 314 | Y | 67.9 | Low | 76.6 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 147.1 | 165 | -69.2 | -70 | 0 | 0 | 0 | 110.4 | G316 N317 L395 W641 I661 | Y314-G316 PolarHBondContact O-N 2.97Å; Y314-N317 VanDerWaalsContact O-CB 3.28Å; Y314-N317 WeakPolarHBondContact O-CB 3.5Å; Y314-N317 PolarHBondContact O-N 2.82Å; Y314-L395 WeakPolarHBondContact CA-O 3.47Å; Y314-L395 HydrophobicContact CD1-CB 3.98Å; Y314-L395 HydrophobicContact CE1-CB 4.14Å; Y314-L395 HydrophobicContact CE1-CD1 4.25Å; Y314-W641 HydrophobicContact CE2-CH2 4.45Å; Y314-W641 WeakPolarHBondContact OH-CZ2 3.04Å; Y314-I661 WeakPolarHBondContact OH-CD1 3.3Å; Y314-I661 WeakPolarHBondContact OH-CG1 3.41Å |
| 315 | E | 73.7 | Confident | 76.9 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 128.1 | 172 | -178.1 | 175.1 | -142.1 | 0 | 0 | 111.4 | A367 P369 V394 L395 F396 N397 | E315-A367 CarbonylContact C-O 3.52Å; E315-A367 WeakPolarHBondContact CA-O 3.25Å; E315-P369 WeakPolarHBondContact OE1-CD 3.37Å; E315-V394 HydrophobicContact CB-CG1 4.36Å; E315-L395 PolarHBondContact N-O 2.9Å; E315-F396 WeakPolarHBondContact OE2-CD1 3.47Å; E315-N397 HydrophobicContact CB-CB 3.88Å; E315-N397 WeakPolarHBondContact O-CB 3.48Å; E315-N397 PolarHBondContact O-ND2 3.45Å; E315-N397 PolarHBondContact OE2-N 3.08Å |
| 316 | G | 71.2 | Confident | 77.3 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -14.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y314 A367 | Y314-G316 PolarHBondContact O-N 2.97Å; G316-A367 PolarHBondContact N-O 2.98Å |
| 317 | N | 75.8 | Confident | 77.1 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -72.7 | 149.9 | 177.1 | -73.1 | 14.1 | 0 | 0 | 0 | 111.9 | Y314 A367 | Y314-N317 VanDerWaalsContact O-CB 3.28Å; Y314-N317 WeakPolarHBondContact O-CB 3.5Å; Y314-N317 PolarHBondContact O-N 2.82Å; N317-A367 WeakPolarHBondContact O-CB 3.37Å; N317-A367 PolarHBondContact O-N 3.33Å | ||
| 318 | R | 82.1 | Confident | 76.7 | Confident | 128 Ų | 128 | 48 Ų | 48 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | trans | -71.7 | 137.6 | 162.2 | 178.5 | 177.7 | 169.2 | 129.9 | -11.8 | 110 | E320 I363 I364 L365 | R318-E320 IonicContact CZ-OE2 3.46Å; R318-E320 IonicContact NE-OE2 2.66Å; R318-E320 PolarHBondContact NE-OE2 2.92Å; R318-E320 VanDerWaalsContact NE-OE2 3.16Å; R318-E320 IonicContact NH2-OE2 2.79Å; R318-E320 PolarHBondContact NH2-OE2 2.96Å; R318-I363 HydrophobicContact CG-CG2 4.39Å; R318-I364 CarbonylContact C-O 3.51Å; R318-I364 VanDerWaalsContact CA-O 3.27Å; R318-I364 WeakPolarHBondContact CA-O 3.39Å; R318-L365 WeakPolarHBondContact CA-O 3.47Å | ||
| 319 | V | 83 | Confident | 76.6 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.3 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | I311 A313 L321 I363 I364 A367 | I311-V319 HydrophobicContact CG2-CG1 4.24Å; A313-V319 HydrophobicContact CB-CG2 3.41Å; A313-V319 VanDerWaalsContact CB-CG2 3.41Å; V319-L321 HydrophobicContact CG1-CD2 3.84Å; V319-I363 WeakPolarHBondContact O-CA 3.24Å; V319-I364 HydrophobicContact CB-CB 4.22Å; V319-I364 PolarHBondContact N-O 3.47Å; V319-I364 PolarHBondContact O-N 3.44Å; V319-A367 HydrophobicContact CG2-CB 4.01Å |
| 320 | E | 86 | Confident | 76.7 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 121.4 | -179.3 | -170.6 | 156.2 | 162.9 | 0 | 0 | 109.3 | R318 F322 L362 I363 | R318-E320 IonicContact CZ-OE2 3.46Å; R318-E320 IonicContact NE-OE2 2.66Å; R318-E320 PolarHBondContact NE-OE2 2.92Å; R318-E320 VanDerWaalsContact NE-OE2 3.16Å; R318-E320 IonicContact NH2-OE2 2.79Å; R318-E320 PolarHBondContact NH2-OE2 2.96Å; E320-F322 HydrophobicContact CG-CE1 4.19Å; E320-F322 HydrophobicContact CG-CZ 3.99Å; E320-L362 CarbonylContact C-O 3.57Å; E320-L362 WeakPolarHBondContact CA-O 3.37Å; E320-I363 HydrophobicContact CB-CG1 4.43Å; E320-I363 HydrophobicContact CG-CG1 3.83Å |
| 321 | L | 87.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.6 | -177.1 | -45.7 | -177.9 | 0 | 0 | 0 | 109.3 | P307 I311 V319 W335 N361 L362 I392 | P307-L321 HydrophobicContact CB-CB 4.37Å; I311-L321 HydrophobicContact CD1-CD2 3.36Å; V319-L321 HydrophobicContact CG1-CD2 3.84Å; L321-W335 HydrophobicContact CB-CH2 3.35Å; L321-W335 HydrophobicContact CB-CZ2 3.73Å; L321-W335 HydrophobicContact CB-CZ3 4.03Å; L321-W335 HydrophobicContact CD1-CE3 4.04Å; L321-W335 HydrophobicContact CD1-CH2 3.76Å; L321-W335 HydrophobicContact CD1-CZ3 3.5Å; L321-W335 VanDerWaalsContact CD1-CZ3 3.5Å; L321-W335 HydrophobicContact CG-CH2 4.23Å; L321-W335 HydrophobicContact CG-CZ3 4.44Å; L321-W335 WeakPolarHBondContact O-CZ2 3.47Å; L321-N361 CarbonylContact O-C 2.79Å; L321-N361 WeakPolarHBondContact O-CA 3.41Å; L321-N361 WeakPolarHBondContact O-CB 3.27Å; L321-L362 HydrophobicContact CB-CB 4.13Å; L321-L362 HydrophobicContact CD1-CB 4.04Å; L321-L362 HydrophobicContact CD1-CD2 3.72Å; L321-L362 HydrophobicContact CD1-CG 4.42Å; L321-L362 HydrophobicContact CG-CB 4.2Å; L321-L362 PolarHBondContact N-O 3Å; L321-L362 PolarHBondContact O-N 2.9Å; L321-I392 HydrophobicContact CD1-CD1 3.88Å; L321-I392 HydrophobicContact CD2-CD1 4.15Å; L321-I392 HydrophobicContact CG-CD1 4.49Å |
| 322 | F | 84.7 | Confident | 76.8 | Confident | 100 Ų | 100 | 47.5 Ų | 47.5 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | trans | -78.7 | 130.1 | 178.8 | -58.2 | -77.6 | 0 | 0 | 0 | 111 | V305 T306 P307 E320 N361 | V305-F322 HydrophobicContact CG1-CB 3.8Å; T306-F322 CarbonylContact C-O 3.48Å; P307-F322 VanDerWaalsContact CD-O 3.26Å; P307-F322 WeakPolarHBondContact CD-O 3.24Å; P307-F322 VanDerWaalsContact N-O 3.12Å; E320-F322 HydrophobicContact CG-CE1 4.19Å; E320-F322 HydrophobicContact CG-CZ 3.99Å; F322-N361 WeakPolarHBondContact CA-OD1 3.31Å; F322-N361 WeakPolarHBondContact CD1-ND2 3.07Å | ||
| 323 | C | 83 | Confident | 77.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -142.7 | 90.6 | 170.4 | -168.8 | 0 | 0 | 0 | 0 | 110.4 | V305 W335 N361 C377 | V305-C323 WeakPolarHBondContact O-CA 3.23Å; C323-W335 HydrophobicContact CB-CH2 4.09Å; C323-W335 HydrophobicContact CB-CZ2 3.43Å; C323-W335 VanDerWaalsContact CB-CZ2 3.43Å; C323-N361 PolarHBondContact N-OD1 3.26Å; C323-N361 VanDerWaalsContact N-OD1 3.15Å; C323-C377 HydrophobicContact CB-CB 3.82Å; C323-C377 WeakPolarHBondContact CB-SG 3.16Å; C323-C377 WeakPolarHBondContact SG-CB 3.39Å; C323-C377 CovalentContact SG-SG 2.03Å; C323-C377 PolarHBondContact SG-SG 2.86Å | ||
| 324 | S | 81.1 | Confident | 77.7 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.4 | 179.3 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | V304 V305 | V304-S324 PolarHBondContact N-O 2.76Å; V305-S324 PolarHBondContact N-O 3.46Å; V305-S324 VanDerWaalsContact N-O 3.17Å; V305-S324 PolarHBondContact O-N 3.22Å |
| 325 | V | 78.9 | Confident | 78.7 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 158.4 | -172.6 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | G302 L303 P331 V333 A379 | G302-V325 CarbonylContact O-C 3.51Å; G302-V325 VanDerWaalsContact O-CA 3.25Å; G302-V325 WeakPolarHBondContact O-CA 3.36Å; L303-V325 HydrophobicContact CD2-CG1 4.07Å; V325-P331 HydrophobicContact CG2-CB 4.25Å; V325-P331 HydrophobicContact CG2-CG 4.25Å; V325-V333 HydrophobicContact CB-CG2 4.31Å; V325-V333 HydrophobicContact CG1-CG2 3.91Å; V325-V333 HydrophobicContact CG2-CG2 3.4Å; V325-A379 HydrophobicContact CB-CB 4.33Å; V325-A379 HydrophobicContact CG1-CB 3.65Å |
| 326 | T | 80.1 | Confident | 79.1 | Confident | 78 Ų | 78 | 42.7 Ų | 42.7 | 48% | 0.479 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.3 | 171.2 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | P301 G302 V304 | P301-T326 CarbonylContact C-O 3.54Å; P301-T326 WeakPolarHBondContact CA-O 3.45Å; G302-T326 PolarHBondContact N-O 3.01Å; G302-T326 PolarHBondContact O-N 2.81Å; V304-T326 HydrophobicContact CG2-CG2 3.59Å |
| 327 | G | 71.3 | Confident | 79.9 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | 163.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T299 P329 | T299-G327 WeakPolarHBondContact OG1-CA 3.34Å; G327-P329 CarbonylContact C-O 3.47Å; G327-P329 VanDerWaalsContact C-O 3.3Å; G327-P329 CarbonylContact O-C 3.55Å |
| 328 | S | 66.2 | Low | 80.2 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 111.3 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | V297 V298 T299 | V297-S328 WeakPolarHBondContact O-CB 3.43Å; V297-S328 PolarHBondContact O-OG 3.5Å; V298-S328 CarbonylContact C-O 3.54Å; V298-S328 VanDerWaalsContact CA-O 3.22Å; V298-S328 WeakPolarHBondContact CA-O 3.38Å; V298-S328 WeakPolarHBondContact CB-O 3.35Å; T299-S328 PolarHBondContact N-O 3.5Å; T299-S328 PolarHBondContact O-N 3.02Å; T299-S328 WeakPolarHBondContact OG1-CB 3.4Å; T299-S328 PolarHBondContact OG1-N 3.38Å |
| 329 | P | 71 | Confident | 80 | Confident | 60 Ų | 60 | 39.8 Ų | 39.8 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -62.8 | 161.1 | -4.1 | 30.6 | -37.1 | 0 | 0 | 0 | 112.7 | G327 | G327-P329 CarbonylContact C-O 3.47Å; G327-P329 VanDerWaalsContact C-O 3.3Å; G327-P329 CarbonylContact O-C 3.55Å |
| 330 | S | 75.1 | Confident | 79.8 | Confident | 111 Ų | 111 | 42.8 Ų | 42.8 | 78% | 0.776 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 124.2 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 331 | P | 74.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 141.4 | -175.8 | -20 | 32.3 | 0 | 0 | 0 | 113 | P301 V325 V333 A379 S380 | P301-P331 HydrophobicContact CB-CB 3.99Å; P301-P331 HydrophobicContact CB-CG 3.74Å; P301-P331 HydrophobicContact CG-CB 3.98Å; P301-P331 HydrophobicContact CG-CG 3.86Å; V325-P331 HydrophobicContact CG2-CB 4.25Å; V325-P331 HydrophobicContact CG2-CG 4.25Å; P331-V333 PolarHBondContact O-N 3.26Å; P331-A379 HydrophobicContact CB-CB 4.17Å; P331-S380 CarbonylContact C-O 3.33Å; P331-S380 WeakPolarHBondContact CA-O 3.28Å |
| 332 | D | 76.7 | Confident | 78.5 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.7 | 167.7 | 175.1 | 52.5 | 0 | 0 | 0 | 109.8 | R334 A379 S380 | D332-R334 IonicContact OD2-CZ 3.66Å; D332-R334 VanDerWaalsContact OD2-CZ 3.29Å; D332-R334 IonicContact OD2-NE 3.74Å; D332-R334 PolarHBondContact OD2-NE 2.68Å; D332-R334 VanDerWaalsContact OD2-NE 3.09Å; D332-R334 IonicContact OD2-NH2 2.85Å; D332-R334 PolarHBondContact OD2-NH2 2.71Å; D332-A379 WeakPolarHBondContact O-CA 3.41Å; D332-S380 PolarHBondContact N-O 3.15Å; D332-S380 PolarHBondContact O-N 2.8Å |
| 333 | V | 81 | Confident | 78.1 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.2 | -178.5 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | V325 P331 P346 | V325-V333 HydrophobicContact CB-CG2 4.31Å; V325-V333 HydrophobicContact CG1-CG2 3.91Å; V325-V333 HydrophobicContact CG2-CG2 3.4Å; P331-V333 PolarHBondContact O-N 3.26Å; V333-P346 WeakPolarHBondContact O-CD 3.41Å |
| 334 | R | 81.6 | Confident | 77.8 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.8 | -179.2 | 58.8 | -174.9 | 60.4 | -164.5 | -11.6 | 110.8 | D332 R378 D879 G883 | D332-R334 IonicContact OD2-CZ 3.66Å; D332-R334 VanDerWaalsContact OD2-CZ 3.29Å; D332-R334 IonicContact OD2-NE 3.74Å; D332-R334 PolarHBondContact OD2-NE 2.68Å; D332-R334 VanDerWaalsContact OD2-NE 3.09Å; D332-R334 IonicContact OD2-NH2 2.85Å; D332-R334 PolarHBondContact OD2-NH2 2.71Å; R334-R378 HydrophobicContact CG-CB 3.97Å; R334-R378 WeakPolarHBondContact CG-O 3.26Å; R334-R378 PolarHBondContact N-O 2.86Å; R334-R378 PolarHBondContact O-N 2.9Å; R334-D879 PolarHBondContact NH1-O 2.92Å; R334-G883 VanDerWaalsContact NH2-CA 3.33Å |
| 335 | W | 86.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.1 | 173.9 | -70.4 | 84.9 | 0 | 0 | 0 | 110.8 | P307 L321 C323 Y343 F344 G360 L362 E376 C377 | P307-W335 HydrophobicContact CB-CH2 4.03Å; P307-W335 HydrophobicContact CG-CH2 3.78Å; P307-W335 HydrophobicContact CG-CZ3 4.2Å; L321-W335 HydrophobicContact CB-CH2 3.35Å; L321-W335 HydrophobicContact CB-CZ2 3.73Å; L321-W335 HydrophobicContact CB-CZ3 4.03Å; L321-W335 HydrophobicContact CD1-CE3 4.04Å; L321-W335 HydrophobicContact CD1-CH2 3.76Å; L321-W335 HydrophobicContact CD1-CZ3 3.5Å; L321-W335 VanDerWaalsContact CD1-CZ3 3.5Å; L321-W335 HydrophobicContact CG-CH2 4.23Å; L321-W335 HydrophobicContact CG-CZ3 4.44Å; L321-W335 WeakPolarHBondContact O-CZ2 3.47Å; C323-W335 HydrophobicContact CB-CH2 4.09Å; C323-W335 HydrophobicContact CB-CZ2 3.43Å; C323-W335 VanDerWaalsContact CB-CZ2 3.43Å; W335-Y343 CarbonylContact O-C 3.59Å; W335-Y343 VanDerWaalsContact O-CA 3.28Å; W335-Y343 WeakPolarHBondContact O-CA 3.36Å; W335-F344 HydrophobicContact CB-CB 4.34Å; W335-F344 HydrophobicContact CB-CD2 4.45Å; W335-F344 PolarHBondContact N-O 3.19Å; W335-F344 PolarHBondContact O-N 2.62Å; W335-G360 PolarHBondContact NE1-O 2.77Å; W335-L362 HydrophobicContact CB-CD1 4.11Å; W335-L362 HydrophobicContact CB-CD2 4.29Å; W335-L362 HydrophobicContact CD2-CB 3.72Å; W335-L362 HydrophobicContact CD2-CD2 4.23Å; W335-L362 HydrophobicContact CD2-CG 4.46Å; W335-L362 HydrophobicContact CE3-CB 4.33Å; W335-L362 HydrophobicContact CE3-CD2 4.28Å; W335-L362 HydrophobicContact CG-CB 3.87Å; W335-L362 HydrophobicContact CG-CD1 4.13Å; W335-L362 HydrophobicContact CG-CD2 4.27Å; W335-L362 HydrophobicContact CG-CG 4.32Å; W335-L362 HydrophobicContact CZ2-CB 4.06Å; W335-E376 CarbonylContact C-O 3.45Å; W335-E376 VanDerWaalsContact CA-O 3.28Å; W335-E376 WeakPolarHBondContact CA-O 3.35Å; W335-C377 HydrophobicContact CD2-CB 3.99Å; W335-C377 HydrophobicContact CE3-CB 3.87Å; W335-C377 HydrophobicContact CH2-CB 3.77Å; W335-C377 HydrophobicContact CZ2-CB 3.87Å; W335-C377 HydrophobicContact CZ3-CB 3.75Å |
| 336 | L | 83.1 | Confident | 77 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.4 | 176.2 | 166.2 | 60.5 | 0 | 0 | 0 | 109.9 | T342 Y343 Y375 E376 | L336-T342 WeakPolarHBondContact CA-O 3.48Å; L336-Y343 HydrophobicContact CB-CD1 4.1Å; L336-Y343 HydrophobicContact CB-CE1 3.91Å; L336-Y343 HydrophobicContact CD1-CD1 4.29Å; L336-Y343 HydrophobicContact CD1-CD2 4.46Å; L336-Y343 HydrophobicContact CD1-CE1 3.89Å; L336-Y343 HydrophobicContact CD1-CE2 4.05Å; L336-Y343 HydrophobicContact CD2-CE1 4.09Å; L336-Y343 HydrophobicContact CG-CE1 4.17Å; L336-Y375 CarbonylContact O-C 3.11Å; L336-Y375 WeakPolarHBondContact O-CA 3.4Å; L336-E376 HydrophobicContact CB-CB 4.3Å; L336-E376 PolarHBondContact N-O 2.83Å; L336-E376 PolarHBondContact O-N 2.89Å |
| 337 | Q | 87.9 | Confident | 76 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111 | 168.4 | -171.6 | -170.1 | 32.6 | 0 | 0 | 109 | S339 T340 K341 T342 F344 D371 S373 Y375 | Q337-S339 VanDerWaalsContact C-N 3.33Å; Q337-S339 PolarHBondContact O-N 2.95Å; Q337-T340 PolarHBondContact O-N 2.8Å; Q337-T340 VanDerWaalsContact OE1-CG2 3.24Å; Q337-T340 PolarHBondContact OE1-OG1 3.37Å; Q337-K341 VanDerWaalsContact O-CA 3.26Å; Q337-K341 WeakPolarHBondContact O-CA 3.38Å; Q337-K341 PolarHBondContact O-N 3.34Å; Q337-T342 PolarHBondContact N-O 2.8Å; Q337-T342 PolarHBondContact OE1-OG1 3.33Å; Q337-F344 HydrophobicContact CB-CE2 4.08Å; Q337-D371 PolarHBondContact NE2-O 3.35Å; Q337-D371 VanDerWaalsContact NE2-O 3.15Å; Q337-S373 VanDerWaalsContact CG-CB 3.46Å; Q337-S373 WeakPolarHBondContact CG-OG 3.47Å; Q337-Y375 HydrophobicContact CB-CD1 4.06Å; Q337-Y375 HydrophobicContact CB-CE1 3.73Å; Q337-Y375 HydrophobicContact CG-CD1 4.36Å; Q337-Y375 HydrophobicContact CG-CE1 3.81Å; Q337-Y375 HydrophobicContact CG-CE2 4.06Å; Q337-Y375 PolarHBondContact NE2-OH 2.93Å; Q337-Y375 VanDerWaalsContact NE2-OH 3.09Å |
| 338 | W | 81.6 | Confident | 75.4 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -29.7 | -172.9 | -83 | 76.3 | 0 | 0 | 0 | 114.6 | S373 T374 E376 | W338-S373 PolarHBondContact N-OG 2.86Å; W338-T374 WeakPolarHBondContact CB-O 3.31Å; W338-T374 PolarHBondContact N-O 2.92Å; W338-E376 VanDerWaalsContact CZ2-OE2 3.32Å; W338-E376 WeakPolarHBondContact CZ2-OE2 3.18Å; W338-E376 PolarHBondContact NE1-OE2 3.49Å |
| 339 | S | 77.5 | Confident | 75 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 51% | 0.51 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -39.2 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | Q337 S373 | Q337-S339 VanDerWaalsContact C-N 3.33Å; Q337-S339 PolarHBondContact O-N 2.95Å; S339-S373 WeakPolarHBondContact CB-OG 3.28Å; S339-S373 PolarHBondContact N-OG 2.87Å; S339-S373 WeakPolarHBondContact OG-CB 3.42Å; S339-S373 PolarHBondContact OG-OG 2.77Å |
| 340 | T | 79.4 | Confident | 74.3 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -13.4 | -177.2 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | Q337 T342 | Q337-T340 PolarHBondContact O-N 2.8Å; Q337-T340 VanDerWaalsContact OE1-CG2 3.24Å; Q337-T340 PolarHBondContact OE1-OG1 3.37Å; T340-T342 PolarHBondContact O-N 2.7Å; T340-T342 WeakPolarHBondContact OG1-CG2 3.34Å; T340-T342 PolarHBondContact OG1-N 3.16Å; T340-T342 PolarHBondContact OG1-OG1 3.34Å |
| 341 | K | 74.8 | Confident | 73.8 | Confident | 162 Ų | 162 | 50.2 Ų | 50.2 | 70% | 0.704 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 26.7 | -168.3 | -57.1 | -173.3 | 177.6 | -173 | 0 | 114.2 | Q337 | Q337-K341 VanDerWaalsContact O-CA 3.26Å; Q337-K341 WeakPolarHBondContact O-CA 3.38Å; Q337-K341 PolarHBondContact O-N 3.34Å |
| 342 | T | 72.6 | Confident | 73.6 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 142.1 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | L336 Q337 T340 F344 | L336-T342 WeakPolarHBondContact CA-O 3.48Å; Q337-T342 PolarHBondContact N-O 2.8Å; Q337-T342 PolarHBondContact OE1-OG1 3.33Å; T340-T342 PolarHBondContact O-N 2.7Å; T340-T342 WeakPolarHBondContact OG1-CG2 3.34Å; T340-T342 PolarHBondContact OG1-N 3.16Å; T340-T342 PolarHBondContact OG1-OG1 3.34Å; T342-F344 WeakPolarHBondContact OG1-CE2 3.44Å |
| 343 | Y | 75 | Confident | 73.9 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.3 | 174.8 | -66.3 | -90.6 | 0 | 0 | 0 | 110.2 | W335 L336 P880 | W335-Y343 CarbonylContact O-C 3.59Å; W335-Y343 VanDerWaalsContact O-CA 3.28Å; W335-Y343 WeakPolarHBondContact O-CA 3.36Å; L336-Y343 HydrophobicContact CB-CD1 4.1Å; L336-Y343 HydrophobicContact CB-CE1 3.91Å; L336-Y343 HydrophobicContact CD1-CD1 4.29Å; L336-Y343 HydrophobicContact CD1-CD2 4.46Å; L336-Y343 HydrophobicContact CD1-CE1 3.89Å; L336-Y343 HydrophobicContact CD1-CE2 4.05Å; L336-Y343 HydrophobicContact CD2-CE1 4.09Å; L336-Y343 HydrophobicContact CG-CE1 4.17Å; Y343-P880 WeakPolarHBondContact OH-CB 3.27Å |
| 344 | F | 78.3 | Confident | 74.1 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.6 | 172.9 | -50.8 | -93.8 | 0 | 0 | 0 | 108.6 | W335 Q337 T342 V350 I354 V356 L362 Y375 | W335-F344 HydrophobicContact CB-CB 4.34Å; W335-F344 HydrophobicContact CB-CD2 4.45Å; W335-F344 PolarHBondContact N-O 3.19Å; W335-F344 PolarHBondContact O-N 2.62Å; Q337-F344 HydrophobicContact CB-CE2 4.08Å; T342-F344 WeakPolarHBondContact OG1-CE2 3.44Å; F344-V350 HydrophobicContact CD1-CB 4.34Å; F344-I354 HydrophobicContact CD1-CB 4.17Å; F344-I354 HydrophobicContact CD1-CG2 3.65Å; F344-I354 HydrophobicContact CE1-CB 3.77Å; F344-I354 HydrophobicContact CE1-CD1 4.4Å; F344-I354 HydrophobicContact CE1-CG2 3.51Å; F344-I354 HydrophobicContact CE2-CG2 4.5Å; F344-I354 HydrophobicContact CG-CG2 4.22Å; F344-I354 HydrophobicContact CZ-CB 4.46Å; F344-I354 HydrophobicContact CZ-CD1 4.33Å; F344-I354 HydrophobicContact CZ-CG2 3.98Å; F344-V356 HydrophobicContact CB-CG2 3.59Å; F344-L362 HydrophobicContact CB-CD1 3.94Å; F344-L362 HydrophobicContact CD2-CD1 4.36Å; F344-L362 HydrophobicContact CG-CD1 4.09Å; F344-Y375 HydrophobicContact CE2-CE1 4.45Å |
| 345 | I | 73.1 | Confident | 74.2 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 138.6 | -170.3 | -54.3 | 177 | 0 | 0 | 0 | 108.2 | T347 V348 | I345-T347 PolarHBondContact O-N 3.03Å; I345-V348 PolarHBondContact O-N 3.16Å; I345-V348 VanDerWaalsContact O-N 3.12Å |
| 346 | P | 69.7 | Low | 74 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.9 | -178.4 | -29.6 | 34.4 | 0 | 0 | 0 | 116.3 | V333 V356 T357 | V333-P346 WeakPolarHBondContact O-CD 3.41Å; P346-V356 HydrophobicContact CG-CB 4.11Å; P346-V356 HydrophobicContact CG-CG1 3.81Å; P346-T357 WeakPolarHBondContact CB-O 3.36Å |
| 347 | T | 58.3 | Low | 73.9 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -8.9 | -176.5 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | I345 I844 | I345-T347 PolarHBondContact O-N 3.03Å; T347-I844 HydrophobicContact CG2-CD1 4.06Å |
| 348 | V | 59.2 | Low | 73.2 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 24% | 0.242 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -140.2 | 104.6 | -177 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | I345 V350 M846 | I345-V348 PolarHBondContact O-N 3.16Å; I345-V348 VanDerWaalsContact O-N 3.12Å; V348-V350 HydrophobicContact CG1-CG2 4.4Å; V348-V350 PolarHBondContact O-N 2.88Å; V348-M846 HydrophobicContact CG1-CG 4.34Å; V348-M846 HydrophobicContact CG2-CG 4.25Å; V348-M846 HydrophobicContact CG2-SD 4.28Å |
| 349 | S | 56.6 | Low | 72.8 | Confident | 91 Ų | 91 | 66 Ų | 66 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -72.8 | 88.6 | 172.9 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | S351 | S349-S351 PolarHBondContact O-N 3.33Å; S349-S351 VanDerWaalsContact O-N 3.16Å | ||
| 350 | V | 57.3 | Low | 72.8 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -60.6 | -20.4 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 112 | F344 V348 | F344-V350 HydrophobicContact CD1-CB 4.34Å; V348-V350 HydrophobicContact CG1-CG2 4.4Å; V348-V350 PolarHBondContact O-N 2.88Å |
| 351 | S | 64.3 | Low | 73.1 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | trans | -145.5 | 141.3 | 172.4 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | S349 R353 I354 | S349-S351 PolarHBondContact O-N 3.33Å; S349-S351 VanDerWaalsContact O-N 3.16Å; S351-R353 PolarHBondContact O-N 2.82Å; S351-R353 PolarHBondContact OG-N 3.13Å; S351-R353 VanDerWaalsContact OG-N 3.13Å; S351-I354 CarbonylContact O-C 3.58Å; S351-I354 PolarHBondContact O-N 2.93Å | ||
| 352 | E | 70.3 | Confident | 73.8 | Confident | 188 Ų | 188 | 52 Ų | 52 | 88% | 0.879 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -60.2 | -22.5 | 166.2 | -61.4 | 177.5 | 168.9 | 0 | 0 | 112.2 | L365 | E352-L365 WeakPolarHBondContact O-CD1 3.33Š|
| 353 | R | 83.1 | Confident | 74.6 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -92.4 | -25.9 | -178.1 | -170.4 | 174.3 | 69.2 | 74.9 | -1.8 | 113.3 | S351 I364 L365 T366 E370 D371 | S351-R353 PolarHBondContact O-N 2.82Å; S351-R353 PolarHBondContact OG-N 3.13Å; S351-R353 VanDerWaalsContact OG-N 3.13Å; R353-I364 CarbonylContact O-C 3.56Å; R353-I364 WeakPolarHBondContact O-CA 3.48Å; R353-L365 PolarHBondContact O-N 3.5Å; R353-T366 WeakPolarHBondContact CD-O 3.43Å; R353-T366 WeakPolarHBondContact CD-OG1 3.29Å; R353-T366 PolarHBondContact NH1-O 2.59Å; R353-E370 IonicContact CZ-OE1 3.64Å; R353-E370 IonicContact NE-OE1 2.66Å; R353-E370 IonicContact NH2-OE1 2.73Å; R353-E370 PolarHBondContact NH2-OE1 2.9Å; R353-D371 IonicContact CZ-OD1 2.69Å; R353-D371 VanDerWaalsContact CZ-OD1 3.3Å; R353-D371 IonicContact CZ-OD2 3.07Å; R353-D371 VanDerWaalsContact NH1-CG 3.25Å; R353-D371 IonicContact NH1-OD1 3.26Å; R353-D371 PolarHBondContact NH1-OD1 3.17Å; R353-D371 IonicContact NH1-OD2 2.7Å; R353-D371 PolarHBondContact NH1-OD2 3.01Å; R353-D371 IonicContact NH2-OD1 2.7Å; R353-D371 PolarHBondContact NH2-OD1 2.89Å; R353-D371 IonicContact NH2-OD2 3.5Å |
| 354 | I | 85.6 | Confident | 75.2 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 113.1 | -175.9 | -51.6 | -177.8 | 0 | 0 | 0 | 109.7 | F344 S351 L362 I363 I364 | F344-I354 HydrophobicContact CD1-CB 4.17Å; F344-I354 HydrophobicContact CD1-CG2 3.65Å; F344-I354 HydrophobicContact CE1-CB 3.77Å; F344-I354 HydrophobicContact CE1-CD1 4.4Å; F344-I354 HydrophobicContact CE1-CG2 3.51Å; F344-I354 HydrophobicContact CE2-CG2 4.5Å; F344-I354 HydrophobicContact CG-CG2 4.22Å; F344-I354 HydrophobicContact CZ-CB 4.46Å; F344-I354 HydrophobicContact CZ-CD1 4.33Å; F344-I354 HydrophobicContact CZ-CG2 3.98Å; S351-I354 CarbonylContact O-C 3.58Å; S351-I354 PolarHBondContact O-N 2.93Å; I354-L362 HydrophobicContact CG2-CD1 3.76Å; I354-L362 HydrophobicContact CG2-CG 4.3Å; I354-I363 WeakPolarHBondContact CA-O 3.27Å; I354-I364 HydrophobicContact CD1-CG1 4.29Å; I354-I364 HydrophobicContact CG1-CB 4.45Å; I354-I364 HydrophobicContact CG1-CG1 4.11Å; I354-I364 HydrophobicContact CG1-CG2 4.16Å; I354-I364 HydrophobicContact CG2-CG1 4.09Å |
| 355 | Y | 83.1 | Confident | 75.4 | Confident | 73 Ų | 73 | 49 Ų | 49 | 29% | 0.286 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160.9 | -179.1 | 66.1 | -88 | 0 | 0 | 0 | 111.2 | T357 I363 L365 | Y355-T357 HydrophobicContact CE2-CG2 4.5Å; Y355-I363 HydrophobicContact CD1-CB 4.46Å; Y355-I363 HydrophobicContact CE1-CB 4.03Å; Y355-I363 HydrophobicContact CE1-CG2 3.75Å; Y355-I363 HydrophobicContact CE2-CB 4.1Å; Y355-I363 HydrophobicContact CE2-CD1 3.67Å; Y355-I363 HydrophobicContact CE2-CG1 4.44Å; Y355-I363 PolarHBondContact N-O 2.69Å; Y355-I363 PolarHBondContact O-N 3.12Å; Y355-L365 HydrophobicContact CE1-CD1 4.1Å; Y355-L365 HydrophobicContact CE1-CD2 3.89Å; Y355-L365 HydrophobicContact CE1-CG 3.84Å |
| 356 | V | 83.1 | Confident | 75.8 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.6 | 173.3 | -166.5 | 0 | 0 | 0 | 0 | 108.5 | F344 P346 N361 L362 | F344-V356 HydrophobicContact CB-CG2 3.59Å; P346-V356 HydrophobicContact CG-CB 4.11Å; P346-V356 HydrophobicContact CG-CG1 3.81Å; V356-N361 CarbonylContact C-O 3.58Å; V356-N361 VanDerWaalsContact CA-O 3.28Å; V356-N361 WeakPolarHBondContact CA-O 3.46Å; V356-N361 WeakPolarHBondContact CG1-O 3.19Å; V356-L362 HydrophobicContact CG2-CD1 3.77Å |
| 357 | T | 80.7 | Confident | 76.4 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 17% | 0.166 | 29% | 0.286 | C | S | . | . | trans | -72 | 160.5 | 172.9 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | P346 Y355 S359 G360 N361 I363 | P346-T357 WeakPolarHBondContact CB-O 3.36Å; Y355-T357 HydrophobicContact CE2-CG2 4.5Å; T357-S359 WeakPolarHBondContact CB-OG 3.39Å; T357-S359 PolarHBondContact O-N 2.89Å; T357-S359 VanDerWaalsContact O-N 3.13Å; T357-S359 PolarHBondContact OG1-N 2.9Å; T357-S359 PolarHBondContact OG1-OG 3.45Å; T357-G360 PolarHBondContact O-N 2.95Å; T357-G360 PolarHBondContact OG1-N 2.87Å; T357-N361 HydrophobicContact CG2-CB 4.27Å; T357-N361 PolarHBondContact N-O 3.15Å; T357-N361 WeakPolarHBondContact OG1-CB 3.41Å; T357-N361 PolarHBondContact OG1-N 2.58Å; T357-N361 PolarHBondContact OG1-O 3.08Å; T357-I363 HydrophobicContact CG2-CD1 3.47Å; T357-I363 VanDerWaalsContact CG2-CD1 3.47Å; T357-I363 HydrophobicContact CG2-CG1 4.39Å | ||
| 358 | S | 72.6 | Confident | 77.6 | Confident | 128 Ų | 128 | 50 Ų | 50 | 90% | 0.895 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.4 | 167.4 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | G360 | S358-G360 VanDerWaalsContact C-N 3.35Š|
| 359 | S | 73 | Confident | 78.7 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 49% | 0.49 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 1.6 | 173 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | T357 | T357-S359 WeakPolarHBondContact CB-OG 3.39Å; T357-S359 PolarHBondContact O-N 2.89Å; T357-S359 VanDerWaalsContact O-N 3.13Å; T357-S359 PolarHBondContact OG1-N 2.9Å; T357-S359 PolarHBondContact OG1-OG 3.45Å |
| 360 | G | 79.1 | Confident | 80 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 90.1 | 3.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | W335 T357 S358 | W335-G360 PolarHBondContact NE1-O 2.77Å; T357-G360 PolarHBondContact O-N 2.95Å; T357-G360 PolarHBondContact OG1-N 2.87Å; S358-G360 VanDerWaalsContact C-N 3.35Å |
| 361 | N | 86 | Confident | 81.4 | Confident | 14 Ų | 14 | 47 Ų | 47 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | trans | -85 | 133.8 | -177.6 | -55.9 | -24.3 | 0 | 0 | 0 | 111.3 | L321 F322 C323 V356 T357 | L321-N361 CarbonylContact O-C 2.79Å; L321-N361 WeakPolarHBondContact O-CA 3.41Å; L321-N361 WeakPolarHBondContact O-CB 3.27Å; F322-N361 WeakPolarHBondContact CA-OD1 3.31Å; F322-N361 WeakPolarHBondContact CD1-ND2 3.07Å; C323-N361 PolarHBondContact N-OD1 3.26Å; C323-N361 VanDerWaalsContact N-OD1 3.15Å; V356-N361 CarbonylContact C-O 3.58Å; V356-N361 VanDerWaalsContact CA-O 3.28Å; V356-N361 WeakPolarHBondContact CA-O 3.46Å; V356-N361 WeakPolarHBondContact CG1-O 3.19Å; T357-N361 HydrophobicContact CG2-CB 4.27Å; T357-N361 PolarHBondContact N-O 3.15Å; T357-N361 WeakPolarHBondContact OG1-CB 3.41Å; T357-N361 PolarHBondContact OG1-N 2.58Å; T357-N361 PolarHBondContact OG1-O 3.08Å | ||
| 362 | L | 88.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.8 | 172.9 | -172 | 71.8 | 0 | 0 | 0 | 110.3 | E320 L321 W335 F344 I354 V356 Y375 | E320-L362 CarbonylContact C-O 3.57Å; E320-L362 WeakPolarHBondContact CA-O 3.37Å; L321-L362 HydrophobicContact CB-CB 4.13Å; L321-L362 HydrophobicContact CD1-CB 4.04Å; L321-L362 HydrophobicContact CD1-CD2 3.72Å; L321-L362 HydrophobicContact CD1-CG 4.42Å; L321-L362 HydrophobicContact CG-CB 4.2Å; L321-L362 PolarHBondContact N-O 3Å; L321-L362 PolarHBondContact O-N 2.9Å; W335-L362 HydrophobicContact CB-CD1 4.11Å; W335-L362 HydrophobicContact CB-CD2 4.29Å; W335-L362 HydrophobicContact CD2-CB 3.72Å; W335-L362 HydrophobicContact CD2-CD2 4.23Å; W335-L362 HydrophobicContact CD2-CG 4.46Å; W335-L362 HydrophobicContact CE3-CB 4.33Å; W335-L362 HydrophobicContact CE3-CD2 4.28Å; W335-L362 HydrophobicContact CG-CB 3.87Å; W335-L362 HydrophobicContact CG-CD1 4.13Å; W335-L362 HydrophobicContact CG-CD2 4.27Å; W335-L362 HydrophobicContact CG-CG 4.32Å; W335-L362 HydrophobicContact CZ2-CB 4.06Å; F344-L362 HydrophobicContact CB-CD1 3.94Å; F344-L362 HydrophobicContact CD2-CD1 4.36Å; F344-L362 HydrophobicContact CG-CD1 4.09Å; I354-L362 HydrophobicContact CG2-CD1 3.76Å; I354-L362 HydrophobicContact CG2-CG 4.3Å; V356-L362 HydrophobicContact CG2-CD1 3.77Å; L362-Y375 HydrophobicContact CD2-CD1 3.55Å; L362-Y375 HydrophobicContact CD2-CE1 3.65Å; L362-Y375 HydrophobicContact CD2-CG 4.47Å |
| 363 | I | 88.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.4 | 174.6 | -66.5 | 162.9 | 0 | 0 | 0 | 109.2 | R318 V319 E320 I354 Y355 T357 L365 | R318-I363 HydrophobicContact CG-CG2 4.39Å; V319-I363 WeakPolarHBondContact O-CA 3.24Å; E320-I363 HydrophobicContact CB-CG1 4.43Å; E320-I363 HydrophobicContact CG-CG1 3.83Å; I354-I363 WeakPolarHBondContact CA-O 3.27Å; Y355-I363 HydrophobicContact CD1-CB 4.46Å; Y355-I363 HydrophobicContact CE1-CB 4.03Å; Y355-I363 HydrophobicContact CE1-CG2 3.75Å; Y355-I363 HydrophobicContact CE2-CB 4.1Å; Y355-I363 HydrophobicContact CE2-CD1 3.67Å; Y355-I363 HydrophobicContact CE2-CG1 4.44Å; Y355-I363 PolarHBondContact N-O 2.69Å; Y355-I363 PolarHBondContact O-N 3.12Å; T357-I363 HydrophobicContact CG2-CD1 3.47Å; T357-I363 VanDerWaalsContact CG2-CD1 3.47Å; T357-I363 HydrophobicContact CG2-CG1 4.39Å; I363-L365 HydrophobicContact CG2-CD2 3.92Å; I363-L365 HydrophobicContact CG2-CG 4.44Å |
| 364 | I | 88.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 110.4 | 167.7 | -57.1 | 170.8 | 0 | 0 | 0 | 106 | R318 V319 R353 I354 A367 I392 | R318-I364 CarbonylContact C-O 3.51Å; R318-I364 VanDerWaalsContact CA-O 3.27Å; R318-I364 WeakPolarHBondContact CA-O 3.39Å; V319-I364 HydrophobicContact CB-CB 4.22Å; V319-I364 PolarHBondContact N-O 3.47Å; V319-I364 PolarHBondContact O-N 3.44Å; R353-I364 CarbonylContact O-C 3.56Å; R353-I364 WeakPolarHBondContact O-CA 3.48Å; I354-I364 HydrophobicContact CD1-CG1 4.29Å; I354-I364 HydrophobicContact CG1-CB 4.45Å; I354-I364 HydrophobicContact CG1-CG1 4.11Å; I354-I364 HydrophobicContact CG1-CG2 4.16Å; I354-I364 HydrophobicContact CG2-CG1 4.09Å; I364-A367 HydrophobicContact CG2-CB 4.47Å; I364-I392 HydrophobicContact CD1-CD1 4.06Å |
| 365 | L | 81.8 | Confident | 83.6 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -68.3 | -39.9 | -174.5 | -72.1 | -179.7 | 0 | 0 | 0 | 113.1 | R318 E352 R353 Y355 I363 | R318-L365 WeakPolarHBondContact CA-O 3.47Å; E352-L365 WeakPolarHBondContact O-CD1 3.33Å; R353-L365 PolarHBondContact O-N 3.5Å; Y355-L365 HydrophobicContact CE1-CD1 4.1Å; Y355-L365 HydrophobicContact CE1-CD2 3.89Å; Y355-L365 HydrophobicContact CE1-CG 3.84Å; I363-L365 HydrophobicContact CG2-CD2 3.92Å; I363-L365 HydrophobicContact CG2-CG 4.44Å |
| 366 | T | 81.4 | Confident | 83.8 | Confident | 61 Ų | 61 | 36.9 Ų | 36.9 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -135.5 | 108.1 | 174.4 | 46.3 | 0 | 0 | 0 | 0 | 108.3 | R353 | R353-T366 WeakPolarHBondContact CD-O 3.43Å; R353-T366 WeakPolarHBondContact CD-OG1 3.29Å; R353-T366 PolarHBondContact NH1-O 2.59Å |
| 367 | A | 82.8 | Confident | 84 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | trans | -65.8 | 140.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A313 E315 G316 N317 V319 I364 D371 V394 | A313-A367 HydrophobicContact CB-CB 4.05Å; E315-A367 CarbonylContact C-O 3.52Å; E315-A367 WeakPolarHBondContact CA-O 3.25Å; G316-A367 PolarHBondContact N-O 2.98Å; N317-A367 WeakPolarHBondContact O-CB 3.37Å; N317-A367 PolarHBondContact O-N 3.33Å; V319-A367 HydrophobicContact CG2-CB 4.01Å; I364-A367 HydrophobicContact CG2-CB 4.47Å; A367-D371 WeakPolarHBondContact CA-OD2 3.42Å; A367-V394 HydrophobicContact CB-CG1 3.94Å; A367-V394 HydrophobicContact CB-CG2 4.07Å | ||
| 368 | R | 84.2 | Confident | 84.1 | Confident | 110 Ų | 110 | 36.3 Ų | 36.3 | 42% | 0.415 | 21% | 0.206 | S | C | . | . | trans | -132.8 | 157.3 | 178.7 | -69.8 | 176.1 | -178.6 | 177.2 | -2.3 | 109.6 | E370 D371 V394 | R368-E370 HydrophobicContact CB-CG 3.72Å; R368-E370 WeakPolarHBondContact CD-OE1 3.32Å; R368-E370 IonicContact CZ-OE1 2.72Å; R368-E370 IonicContact NE-OE1 2.77Å; R368-E370 IonicContact NH1-OE1 3.18Å; R368-E370 PolarHBondContact NH1-OE1 3.05Å; R368-E370 IonicContact NH1-OE2 3.6Å; R368-E370 PolarHBondContact O-N 2.84Å; R368-E370 VanDerWaalsContact O-N 3.08Å; R368-D371 PolarHBondContact N-OD2 3.29Å; R368-D371 WeakPolarHBondContact O-CB 3.07Å; R368-D371 PolarHBondContact O-N 3.13Å; R368-V394 WeakPolarHBondContact O-CB 3.37Å; R368-V394 VanDerWaalsContact O-CG2 3.3Å; R368-V394 WeakPolarHBondContact O-CG2 3.41Å | ||
| 369 | P | 81.7 | Confident | 84.4 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 29% | 0.286 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -51.4 | -35 | 176.9 | -28.1 | 35.3 | 0 | 0 | 0 | 113.8 | E315 D371 T372 F396 | E315-P369 WeakPolarHBondContact OE1-CD 3.37Å; P369-D371 PolarHBondContact O-N 2.89Å; P369-T372 WeakPolarHBondContact O-CB 3.3Å; P369-T372 PolarHBondContact O-N 3Å; P369-T372 PolarHBondContact O-OG1 3.48Å; P369-F396 HydrophobicContact CB-CE1 4.25Å; P369-F396 HydrophobicContact CB-CZ 4.01Å; P369-F396 HydrophobicContact CG-CD1 3.97Å; P369-F396 HydrophobicContact CG-CE1 3.41Å; P369-F396 VanDerWaalsContact CG-CE1 3.41Å; P369-F396 HydrophobicContact CG-CE2 4.44Å; P369-F396 HydrophobicContact CG-CZ 3.68Å |
| 370 | E | 84.4 | Confident | 84.2 | Confident | 111 Ų | 111 | 27 Ų | 27 | 52% | 0.519 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -60.9 | -20.3 | 176.1 | 69.9 | -167.2 | -160.6 | 0 | 0 | 114.9 | R353 R368 T372 | R353-E370 IonicContact CZ-OE1 3.64Å; R353-E370 IonicContact NE-OE1 2.66Å; R353-E370 IonicContact NH2-OE1 2.73Å; R353-E370 PolarHBondContact NH2-OE1 2.9Å; R368-E370 HydrophobicContact CB-CG 3.72Å; R368-E370 WeakPolarHBondContact CD-OE1 3.32Å; R368-E370 IonicContact CZ-OE1 2.72Å; R368-E370 IonicContact NE-OE1 2.77Å; R368-E370 IonicContact NH1-OE1 3.18Å; R368-E370 PolarHBondContact NH1-OE1 3.05Å; R368-E370 IonicContact NH1-OE2 3.6Å; R368-E370 PolarHBondContact O-N 2.84Å; R368-E370 VanDerWaalsContact O-N 3.08Å; E370-T372 VanDerWaalsContact C-N 3.29Å; E370-T372 PolarHBondContact O-N 3.14Å |
| 371 | D | 87.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -78.1 | -15.4 | 179 | -57.3 | -36.1 | 0 | 0 | 0 | 112.6 | Q337 R353 A367 R368 P369 S373 Y375 V394 | Q337-D371 PolarHBondContact NE2-O 3.35Å; Q337-D371 VanDerWaalsContact NE2-O 3.15Å; R353-D371 IonicContact CZ-OD1 2.69Å; R353-D371 VanDerWaalsContact CZ-OD1 3.3Å; R353-D371 IonicContact CZ-OD2 3.07Å; R353-D371 VanDerWaalsContact NH1-CG 3.25Å; R353-D371 IonicContact NH1-OD1 3.26Å; R353-D371 PolarHBondContact NH1-OD1 3.17Å; R353-D371 IonicContact NH1-OD2 2.7Å; R353-D371 PolarHBondContact NH1-OD2 3.01Å; R353-D371 IonicContact NH2-OD1 2.7Å; R353-D371 PolarHBondContact NH2-OD1 2.89Å; R353-D371 IonicContact NH2-OD2 3.5Å; A367-D371 WeakPolarHBondContact CA-OD2 3.42Å; R368-D371 PolarHBondContact N-OD2 3.29Å; R368-D371 WeakPolarHBondContact O-CB 3.07Å; R368-D371 PolarHBondContact O-N 3.13Å; P369-D371 PolarHBondContact O-N 2.89Å; D371-S373 PolarHBondContact O-N 2.99Å; D371-Y375 VanDerWaalsContact O-CE2 3.31Å; D371-Y375 WeakPolarHBondContact O-CE2 3.04Å; D371-Y375 PolarHBondContact O-OH 3.48Å; D371-V394 HydrophobicContact CB-CG2 4Å |
| 372 | T | 86.9 | Confident | 82.4 | Confident | 63 Ų | 63 | 32 Ų | 32 | 39% | 0.387 | 17% | 0.174 | S | C | . | . | trans | -57.9 | 107.4 | -174.7 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | P369 E370 I392 V394 | P369-T372 WeakPolarHBondContact O-CB 3.3Å; P369-T372 PolarHBondContact O-N 3Å; P369-T372 PolarHBondContact O-OG1 3.48Å; E370-T372 VanDerWaalsContact C-N 3.29Å; E370-T372 PolarHBondContact O-N 3.14Å; T372-I392 WeakPolarHBondContact CA-O 3.47Å; T372-V394 PolarHBondContact OG1-N 3.48Å; T372-V394 VanDerWaalsContact OG1-N 3.12Å | ||
| 373 | S | 87.5 | Confident | 81.2 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 158.4 | -172.5 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | Q337 W338 S339 D371 Y375 I392 | Q337-S373 VanDerWaalsContact CG-CB 3.46Å; Q337-S373 WeakPolarHBondContact CG-OG 3.47Å; W338-S373 PolarHBondContact N-OG 2.86Å; S339-S373 WeakPolarHBondContact CB-OG 3.28Å; S339-S373 PolarHBondContact N-OG 2.87Å; S339-S373 WeakPolarHBondContact OG-CB 3.42Å; S339-S373 PolarHBondContact OG-OG 2.77Å; D371-S373 PolarHBondContact O-N 2.99Å; S373-Y375 WeakPolarHBondContact O-CD2 3.13Å; S373-I392 PolarHBondContact N-O 2.85Å; S373-I392 VanDerWaalsContact N-O 3.09Å; S373-I392 PolarHBondContact O-N 3.46Å |
| 374 | T | 87 | Confident | 80 | Confident | 46 Ų | 46 | 35.9 Ų | 35.9 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 133.7 | 152.4 | -46 | 0 | 0 | 0 | 0 | 109.1 | W338 L389 T390 D391 | W338-T374 WeakPolarHBondContact CB-O 3.31Å; W338-T374 PolarHBondContact N-O 2.92Å; T374-L389 HydrophobicContact CG2-CB 4.35Å; T374-L389 HydrophobicContact CG2-CD2 4.28Å; T374-T390 CarbonylContact C-O 3.53Å; T374-T390 WeakPolarHBondContact CA-O 3.25Å; T374-D391 WeakPolarHBondContact CB-OD1 3.43Å; T374-D391 WeakPolarHBondContact CG2-OD1 3.36Å; T374-D391 PolarHBondContact OG1-OD1 3.12Å |
| 375 | Y | 88.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.9 | 170.8 | -74.9 | -103.6 | 0 | 0 | 0 | 109 | L336 Q337 F344 L362 D371 S373 L389 T390 I392 | L336-Y375 CarbonylContact O-C 3.11Å; L336-Y375 WeakPolarHBondContact O-CA 3.4Å; Q337-Y375 HydrophobicContact CB-CD1 4.06Å; Q337-Y375 HydrophobicContact CB-CE1 3.73Å; Q337-Y375 HydrophobicContact CG-CD1 4.36Å; Q337-Y375 HydrophobicContact CG-CE1 3.81Å; Q337-Y375 HydrophobicContact CG-CE2 4.06Å; Q337-Y375 PolarHBondContact NE2-OH 2.93Å; Q337-Y375 VanDerWaalsContact NE2-OH 3.09Å; F344-Y375 HydrophobicContact CE2-CE1 4.45Å; L362-Y375 HydrophobicContact CD2-CD1 3.55Å; L362-Y375 HydrophobicContact CD2-CE1 3.65Å; L362-Y375 HydrophobicContact CD2-CG 4.47Å; D371-Y375 VanDerWaalsContact O-CE2 3.31Å; D371-Y375 WeakPolarHBondContact O-CE2 3.04Å; D371-Y375 PolarHBondContact O-OH 3.48Å; S373-Y375 WeakPolarHBondContact O-CD2 3.13Å; Y375-L389 WeakPolarHBondContact O-CA 3.33Å; Y375-T390 PolarHBondContact N-O 3.18Å; Y375-T390 PolarHBondContact O-N 2.95Å; Y375-I392 HydrophobicContact CD2-CB 4.2Å; Y375-I392 HydrophobicContact CD2-CD1 3.42Å; Y375-I392 VanDerWaalsContact CD2-CD1 3.42Å; Y375-I392 HydrophobicContact CD2-CG1 3.66Å; Y375-I392 HydrophobicContact CE2-CB 4.08Å; Y375-I392 HydrophobicContact CE2-CD1 3.4Å; Y375-I392 VanDerWaalsContact CE2-CD1 3.4Å; Y375-I392 HydrophobicContact CE2-CG1 3.9Å; Y375-I392 HydrophobicContact CG-CD1 4.12Å |
| 376 | E | 86.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.6 | 171.9 | -179.5 | 179.1 | 165.7 | 0 | 0 | 109.8 | W335 L336 W338 R378 R387 S388 L389 | W335-E376 CarbonylContact C-O 3.45Å; W335-E376 VanDerWaalsContact CA-O 3.28Å; W335-E376 WeakPolarHBondContact CA-O 3.35Å; L336-E376 HydrophobicContact CB-CB 4.3Å; L336-E376 PolarHBondContact N-O 2.83Å; L336-E376 PolarHBondContact O-N 2.89Å; W338-E376 VanDerWaalsContact CZ2-OE2 3.32Å; W338-E376 WeakPolarHBondContact CZ2-OE2 3.18Å; W338-E376 PolarHBondContact NE1-OE2 3.49Å; E376-R378 VanDerWaalsContact CD-NH2 3.32Å; E376-R378 HydrophobicContact CG-CB 4.36Å; E376-R378 IonicContact OE1-CZ 3.52Å; E376-R378 IonicContact OE1-NE 3.94Å; E376-R378 PolarHBondContact OE1-NE 2.81Å; E376-R378 IonicContact OE1-NH2 2.64Å; E376-R378 PolarHBondContact OE1-NH2 3.26Å; E376-R378 IonicContact OE2-NH2 3.57Å; E376-R378 PolarHBondContact OE2-NH2 2.67Å; E376-R378 VanDerWaalsContact OE2-NH2 3.14Å; E376-R387 HydrophobicContact CG-CB 4Å; E376-R387 WeakPolarHBondContact OE1-CB 3.5Å; E376-R387 WeakPolarHBondContact OE1-CD 3.44Å; E376-S388 CarbonylContact C-O 2.77Å; E376-S388 VanDerWaalsContact CA-O 3.27Å; E376-S388 WeakPolarHBondContact CA-O 3.48Å; E376-L389 HydrophobicContact CB-CD2 3.58Å; E376-L389 HydrophobicContact CG-CD2 3.77Å |
| 377 | C | 87 | Confident | 78.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.6 | 157.4 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | C323 W335 R387 S388 | C323-C377 HydrophobicContact CB-CB 3.82Å; C323-C377 WeakPolarHBondContact CB-SG 3.16Å; C323-C377 WeakPolarHBondContact SG-CB 3.39Å; C323-C377 CovalentContact SG-SG 2.03Å; C323-C377 PolarHBondContact SG-SG 2.86Å; W335-C377 HydrophobicContact CD2-CB 3.99Å; W335-C377 HydrophobicContact CE3-CB 3.87Å; W335-C377 HydrophobicContact CH2-CB 3.77Å; W335-C377 HydrophobicContact CZ2-CB 3.87Å; W335-C377 HydrophobicContact CZ3-CB 3.75Å; C377-R387 CarbonylContact O-C 3.52Å; C377-R387 VanDerWaalsContact O-CA 3.29Å; C377-R387 WeakPolarHBondContact O-CA 3.33Å; C377-S388 PolarHBondContact N-O 3.14Å; C377-S388 PolarHBondContact O-N 2.99Å |
| 378 | R | 82.9 | Confident | 78.3 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.5 | 174.1 | -175.6 | 175.3 | -64.3 | -171.4 | -0.8 | 108.9 | R334 E376 F385 T386 P880 | R334-R378 HydrophobicContact CG-CB 3.97Å; R334-R378 WeakPolarHBondContact CG-O 3.26Å; R334-R378 PolarHBondContact N-O 2.86Å; R334-R378 PolarHBondContact O-N 2.9Å; E376-R378 VanDerWaalsContact CD-NH2 3.32Å; E376-R378 HydrophobicContact CG-CB 4.36Å; E376-R378 IonicContact OE1-CZ 3.52Å; E376-R378 IonicContact OE1-NE 3.94Å; E376-R378 PolarHBondContact OE1-NE 2.81Å; E376-R378 IonicContact OE1-NH2 2.64Å; E376-R378 PolarHBondContact OE1-NH2 3.26Å; E376-R378 IonicContact OE2-NH2 3.57Å; E376-R378 PolarHBondContact OE2-NH2 2.67Å; E376-R378 VanDerWaalsContact OE2-NH2 3.14Å; R378-F385 HydrophobicContact CG-CD2 4.44Å; R378-T386 WeakPolarHBondContact CA-O 3.35Å; R378-P880 VanDerWaalsContact CD-O 3.3Å; R378-P880 WeakPolarHBondContact CD-O 3.5Å; R378-P880 PolarHBondContact NH1-O 3.27Å |
| 379 | A | 79.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P301 V325 P331 D332 F385 T386 | P301-A379 HydrophobicContact CB-CB 4.34Å; V325-A379 HydrophobicContact CB-CB 4.33Å; V325-A379 HydrophobicContact CG1-CB 3.65Å; P331-A379 HydrophobicContact CB-CB 4.17Å; D332-A379 WeakPolarHBondContact O-CA 3.41Å; A379-F385 CarbonylContact O-C 3.55Å; A379-F385 WeakPolarHBondContact O-CA 3.15Å; A379-F385 WeakPolarHBondContact O-CB 3.24Å; A379-T386 HydrophobicContact CB-CG2 3.93Å; A379-T386 PolarHBondContact N-O 3.22Å; A379-T386 PolarHBondContact O-N 3.44Å |
| 380 | S | 68.3 | Low | 78.4 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.1 | -167.3 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | P331 D332 G883 | P331-S380 CarbonylContact C-O 3.33Å; P331-S380 WeakPolarHBondContact CA-O 3.28Å; D332-S380 PolarHBondContact N-O 3.15Å; D332-S380 PolarHBondContact O-N 2.8Å; S380-G883 VanDerWaalsContact OG-CA 3.28Å; S380-G883 WeakPolarHBondContact OG-CA 3.47Å |
| 381 | S | 66.2 | Low | 78.4 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 169 | 177 | 72.7 | 0 | 0 | 0 | 0 | 110.3 | P301 T383 G384 | P301-S381 WeakPolarHBondContact CD-OG 3.38Å; P301-S381 VanDerWaalsContact CG-OG 3.23Å; P301-S381 WeakPolarHBondContact CG-OG 3.44Å; S381-T383 PolarHBondContact O-N 3.13Å; S381-T383 PolarHBondContact OG-N 3.43Å; S381-T383 PolarHBondContact OG-OG1 3.37Å; S381-G384 PolarHBondContact N-O 3.32Å; S381-G384 PolarHBondContact O-N 3.22Å; S381-G384 PolarHBondContact OG-O 3.3Å |
| 382 | P | 62.5 | Low | 78.4 | Confident | 104 Ų | 104 | 35.7 Ų | 35.7 | 68% | 0.675 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.3 | 176.7 | -24.8 | 35.8 | 0 | 0 | 0 | 115.7 | ||
| 383 | T | 62.9 | Low | 78.2 | Confident | 54 Ų | 54 | 35.9 Ų | 35.9 | 33% | 0.331 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -3.2 | 176.5 | 53.3 | 0 | 0 | 0 | 0 | 114 | V298 T299 P300 S381 | V298-T383 HydrophobicContact CB-CG2 3.8Å; V298-T383 HydrophobicContact CG2-CG2 3.77Å; T299-T383 PolarHBondContact O-OG1 2.81Å; T299-T383 VanDerWaalsContact O-OG1 3.06Å; P300-T383 WeakPolarHBondContact CA-OG1 3.37Å; S381-T383 PolarHBondContact O-N 3.13Å; S381-T383 PolarHBondContact OG-N 3.43Å; S381-T383 PolarHBondContact OG-OG1 3.37Å |
| 384 | G | 62.5 | Low | 77.7 | Confident | 32 Ų | 32 | 35.8 Ų | 35.8 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.6 | -172.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | P301 S381 | P301-G384 WeakPolarHBondContact CD-O 3.42Å; P301-G384 VanDerWaalsContact CG-O 3.28Å; P301-G384 WeakPolarHBondContact CG-O 3.44Å; S381-G384 PolarHBondContact N-O 3.32Å; S381-G384 PolarHBondContact O-N 3.22Å; S381-G384 PolarHBondContact OG-O 3.3Å |
| 385 | F | 69.1 | Low | 76.9 | Confident | 95 Ų | 95 | 35.1 Ų | 35.1 | 42% | 0.417 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.4 | 177.6 | 77.4 | -85.1 | 0 | 0 | 0 | 112.1 | R378 A379 | R378-F385 HydrophobicContact CG-CD2 4.44Å; A379-F385 CarbonylContact O-C 3.55Å; A379-F385 WeakPolarHBondContact O-CA 3.15Å; A379-F385 WeakPolarHBondContact O-CB 3.24Å |
| 386 | T | 71 | Confident | 75.5 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 22% | 0.221 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 160.3 | 170.1 | -171 | 0 | 0 | 0 | 0 | 110.7 | P301 L303 R378 A379 | P301-T386 HydrophobicContact CB-CG2 3.9Å; P301-T386 WeakPolarHBondContact O-CG2 3.48Å; L303-T386 HydrophobicContact CD1-CG2 3.97Å; L303-T386 WeakPolarHBondContact CD1-OG1 3.47Å; L303-T386 HydrophobicContact CG-CG2 3.75Å; R378-T386 WeakPolarHBondContact CA-O 3.35Å; A379-T386 HydrophobicContact CB-CG2 3.93Å; A379-T386 PolarHBondContact N-O 3.22Å; A379-T386 PolarHBondContact O-N 3.44Å |
| 387 | R | 79.4 | Confident | 74 | Confident | 100 Ų | 100 | 46 Ų | 46 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148 | -177.2 | 63.5 | 176.5 | 177.2 | -177.6 | -3 | 114 | E376 C377 D692 | E376-R387 HydrophobicContact CG-CB 4Å; E376-R387 WeakPolarHBondContact OE1-CB 3.5Å; E376-R387 WeakPolarHBondContact OE1-CD 3.44Å; C377-R387 CarbonylContact O-C 3.52Å; C377-R387 VanDerWaalsContact O-CA 3.29Å; C377-R387 WeakPolarHBondContact O-CA 3.33Å; R387-D692 PolarHBondContact NH2-O 2.96Å; R387-D692 VanDerWaalsContact NH2-O 3.14Å |
| 388 | S | 79.5 | Confident | 72 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146 | 173.1 | -163.7 | 0 | 0 | 0 | 0 | 110.3 | E376 C377 | E376-S388 CarbonylContact C-O 2.77Å; E376-S388 VanDerWaalsContact CA-O 3.27Å; E376-S388 WeakPolarHBondContact CA-O 3.48Å; C377-S388 PolarHBondContact N-O 3.14Å; C377-S388 PolarHBondContact O-N 2.99Å |
| 389 | L | 85.3 | Confident | 70.5 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.9 | -172.5 | -62.5 | 176.1 | 0 | 0 | 0 | 111.9 | T374 Y375 E376 | T374-L389 HydrophobicContact CG2-CB 4.35Å; T374-L389 HydrophobicContact CG2-CD2 4.28Å; Y375-L389 WeakPolarHBondContact O-CA 3.33Å; E376-L389 HydrophobicContact CB-CD2 3.58Å; E376-L389 HydrophobicContact CG-CD2 3.77Å |
| 390 | T | 83.4 | Confident | 69.3 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 120.1 | 178.7 | -69.4 | 0 | 0 | 0 | 0 | 111.1 | P307 P308 S309 I311 T374 Y375 I392 | P307-T390 VanDerWaalsContact CB-OG1 3.24Å; P307-T390 WeakPolarHBondContact CB-OG1 3.38Å; P307-T390 WeakPolarHBondContact CG-OG1 3.49Å; P308-T390 WeakPolarHBondContact O-CB 3.43Å; P308-T390 WeakPolarHBondContact O-CG2 3.4Å; P308-T390 PolarHBondContact O-OG1 3.38Å; S309-T390 WeakPolarHBondContact O-CA 3.45Å; I311-T390 HydrophobicContact CB-CG2 4.44Å; I311-T390 HydrophobicContact CD1-CG2 3.98Å; I311-T390 HydrophobicContact CG1-CG2 4.12Å; T374-T390 CarbonylContact C-O 3.53Å; T374-T390 WeakPolarHBondContact CA-O 3.25Å; Y375-T390 PolarHBondContact N-O 3.18Å; Y375-T390 PolarHBondContact O-N 2.95Å; T390-I392 HydrophobicContact CG2-CG1 4.08Å; T390-I392 PolarHBondContact O-N 2.92Å |
| 391 | D | 84.1 | Confident | 68.8 | Low | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.6 | 167.9 | -64 | -31.1 | 0 | 0 | 0 | 110.4 | S309 K310 I311 T374 | S309-D391 PolarHBondContact O-N 3.23Å; K310-D391 CarbonylContact C-O 3.49Å; K310-D391 WeakPolarHBondContact CA-O 3.39Å; K310-D391 HydrophobicContact CG-CB 4.21Å; I311-D391 PolarHBondContact N-O 3.17Å; T374-D391 WeakPolarHBondContact CB-OD1 3.43Å; T374-D391 WeakPolarHBondContact CG2-OD1 3.36Å; T374-D391 PolarHBondContact OG1-OD1 3.12Å |
| 392 | I | 86.6 | Confident | 68.8 | Low | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.9 | 168.6 | -53.4 | -177.8 | 0 | 0 | 0 | 109.3 | I311 L321 I364 T372 S373 Y375 T390 V394 | I311-I392 WeakPolarHBondContact O-CA 3.41Å; L321-I392 HydrophobicContact CD1-CD1 3.88Å; L321-I392 HydrophobicContact CD2-CD1 4.15Å; L321-I392 HydrophobicContact CG-CD1 4.49Å; I364-I392 HydrophobicContact CD1-CD1 4.06Å; T372-I392 WeakPolarHBondContact CA-O 3.47Å; S373-I392 PolarHBondContact N-O 2.85Å; S373-I392 VanDerWaalsContact N-O 3.09Å; S373-I392 PolarHBondContact O-N 3.46Å; Y375-I392 HydrophobicContact CD2-CB 4.2Å; Y375-I392 HydrophobicContact CD2-CD1 3.42Å; Y375-I392 VanDerWaalsContact CD2-CD1 3.42Å; Y375-I392 HydrophobicContact CD2-CG1 3.66Å; Y375-I392 HydrophobicContact CE2-CB 4.08Å; Y375-I392 HydrophobicContact CE2-CD1 3.4Å; Y375-I392 VanDerWaalsContact CE2-CD1 3.4Å; Y375-I392 HydrophobicContact CE2-CG1 3.9Å; Y375-I392 HydrophobicContact CG-CD1 4.12Å; T390-I392 HydrophobicContact CG2-CG1 4.08Å; T390-I392 PolarHBondContact O-N 2.92Å; I392-V394 HydrophobicContact CG2-CG2 4.17Å |
| 393 | Q | 82.3 | Confident | 68.9 | Low | 68 Ų | 68 | 51.7 Ų | 51.7 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.6 | 167.8 | -60.8 | -169.2 | 5.5 | 0 | 0 | 110.1 | I311 Y312 A313 | I311-Q393 PolarHBondContact O-N 2.86Å; Y312-Q393 WeakPolarHBondContact CA-O 3.2Å; Y312-Q393 HydrophobicContact CD1-CB 3.9Å; Y312-Q393 HydrophobicContact CE1-CB 4.07Å; Y312-Q393 HydrophobicContact CE1-CG 4.28Å; A313-Q393 PolarHBondContact N-O 3.24Å |
| 394 | V | 78.3 | Confident | 69.3 | Low | 11 Ų | 11 | 49.5 Ų | 49.5 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.3 | 175.9 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | A313 E315 A367 R368 D371 T372 I392 | A313-V394 HydrophobicContact CB-CG2 4.39Å; A313-V394 WeakPolarHBondContact O-CA 3.4Å; E315-V394 HydrophobicContact CB-CG1 4.36Å; A367-V394 HydrophobicContact CB-CG1 3.94Å; A367-V394 HydrophobicContact CB-CG2 4.07Å; R368-V394 WeakPolarHBondContact O-CB 3.37Å; R368-V394 VanDerWaalsContact O-CG2 3.3Å; R368-V394 WeakPolarHBondContact O-CG2 3.41Å; D371-V394 HydrophobicContact CB-CG2 4Å; T372-V394 PolarHBondContact OG1-N 3.48Å; T372-V394 VanDerWaalsContact OG1-N 3.12Å; I392-V394 HydrophobicContact CG2-CG2 4.17Å |
| 395 | L | 69.2 | Low | 69.7 | Low | 33 Ų | 33 | 48.3 Ų | 48.3 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.5 | -179.5 | -55.9 | 178.2 | 0 | 0 | 0 | 109.9 | Y312 A313 Y314 E315 N397 | Y312-L395 HydrophobicContact CD1-CD1 4.37Å; A313-L395 PolarHBondContact O-N 2.86Å; Y314-L395 WeakPolarHBondContact CA-O 3.47Å; Y314-L395 HydrophobicContact CD1-CB 3.98Å; Y314-L395 HydrophobicContact CE1-CB 4.14Å; Y314-L395 HydrophobicContact CE1-CD1 4.25Å; E315-L395 PolarHBondContact N-O 2.9Å; L395-N397 PolarHBondContact O-N 2.88Å |
| 396 | F | 58.7 | Low | 69.7 | Low | 130 Ų | 130 | 43.8 Ų | 43.8 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -52.4 | 129.6 | 175.6 | -71 | -82.1 | 0 | 0 | 0 | 111.8 | E315 P369 S398 | E315-F396 WeakPolarHBondContact OE2-CD1 3.47Å; P369-F396 HydrophobicContact CB-CE1 4.25Å; P369-F396 HydrophobicContact CB-CZ 4.01Å; P369-F396 HydrophobicContact CG-CD1 3.97Å; P369-F396 HydrophobicContact CG-CE1 3.41Å; P369-F396 VanDerWaalsContact CG-CE1 3.41Å; P369-F396 HydrophobicContact CG-CE2 4.44Å; P369-F396 HydrophobicContact CG-CZ 3.68Å; F396-S398 VanDerWaalsContact C-N 3.26Å; F396-S398 PolarHBondContact O-N 3.21Å |
| 397 | N | 56.6 | Low | 69.6 | Low | 98 Ų | 98 | 42.9 Ų | 42.9 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | trans | -83.6 | 69.8 | -173.1 | -168.8 | -8.3 | 0 | 0 | 0 | 111.2 | E315 L395 | E315-N397 HydrophobicContact CB-CB 3.88Å; E315-N397 WeakPolarHBondContact O-CB 3.48Å; E315-N397 PolarHBondContact O-ND2 3.45Å; E315-N397 PolarHBondContact OE2-N 3.08Å; L395-N397 PolarHBondContact O-N 2.88Å | ||
| 398 | S | 44.2 | Very low | 69.4 | Low | 70 Ų | 70 | 38.2 Ų | 38.2 | 49% | 0.49 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -137 | 129.2 | 180 | 68.1 | 0 | 0 | 0 | 0 | 113.3 | F396 L400 | F396-S398 VanDerWaalsContact C-N 3.26Å; F396-S398 PolarHBondContact O-N 3.21Å; S398-L400 VanDerWaalsContact C-N 3.33Å; S398-L400 PolarHBondContact O-N 3.13Å; S398-L400 VanDerWaalsContact O-N 3.09Å |
| 399 | K | 50.4 | Low | 69 | Low | 110 Ų | 110 | 37.4 Ų | 37.4 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 55.8 | 30.4 | 159.6 | -55 | 171.9 | -175.9 | 169.8 | 0 | 116.3 | D583 | K399-D583 IonicContact NZ-OD1 3.37Š|
| 400 | L | 54.7 | Low | 68.3 | Low | 49 Ų | 49 | 34.9 Ų | 34.9 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | trans | -115.4 | -6.3 | -169.9 | -107.8 | 158.3 | 0 | 0 | 0 | 118.4 | S398 P402 W641 | S398-L400 VanDerWaalsContact C-N 3.33Å; S398-L400 PolarHBondContact O-N 3.13Å; S398-L400 VanDerWaalsContact O-N 3.09Å; L400-P402 WeakPolarHBondContact O-CD 3.28Å; L400-W641 VanDerWaalsContact O-CZ2 3.23Å; L400-W641 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 401 | I | 58.1 | Low | 67.2 | Low | 37 Ų | 37 | 36 Ų | 36 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -61.7 | 125.1 | 169.4 | -49.5 | 174.6 | 0 | 0 | 0 | 108.4 | F436 S506 L657 | I401-F436 HydrophobicContact CD1-CE2 3.86Å; I401-F436 HydrophobicContact CD1-CZ 4.04Å; I401-S506 VanDerWaalsContact O-CB 3.28Å; I401-S506 WeakPolarHBondContact O-CB 3.39Å; I401-S506 PolarHBondContact O-OG 3.21Å; I401-L657 HydrophobicContact CG2-CD2 4.36Å |
| 402 | P | 66.1 | Low | 66 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 155.9 | -179 | 25.2 | -34.8 | 0 | 0 | 0 | 111.8 | L400 R404 L571 D615 W617 W641 L657 | L400-P402 WeakPolarHBondContact O-CD 3.28Å; P402-R404 PolarHBondContact O-N 2.77Å; P402-L571 HydrophobicContact CB-CD2 3.66Å; P402-D615 VanDerWaalsContact CA-OD2 3.24Å; P402-D615 WeakPolarHBondContact CA-OD2 3.21Å; P402-D615 WeakPolarHBondContact CB-OD2 3.42Å; P402-W617 HydrophobicContact CB-CZ2 3.77Å; P402-W617 HydrophobicContact CG-CH2 4.06Å; P402-W617 HydrophobicContact CG-CZ2 3.54Å; P402-W641 HydrophobicContact CG-CB 4.49Å; P402-W641 HydrophobicContact CG-CD2 3.95Å; P402-W641 HydrophobicContact CG-CE3 4.4Å; P402-W641 HydrophobicContact CG-CG 3.99Å; P402-L657 HydrophobicContact CG-CD1 4.44Å; P402-L657 HydrophobicContact CG-CD2 4.45Å |
| 403 | G | 64.4 | Low | 64.7 | Low | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 135.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109 | A510 D615 W617 | G403-A510 WeakPolarHBondContact O-CB 3.23Å; G403-D615 PolarHBondContact N-OD2 3.36Å; G403-W617 PolarHBondContact O-NE1 2.77Å |
| 404 | R | 71.8 | Confident | 63.4 | Low | 9 Ų | 9 | 38.6 Ų | 38.6 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | trans | -139 | 145.5 | 173.6 | -65.3 | -170.8 | -72.7 | 154.4 | -8.2 | 109.6 | P402 P431 D433 W617 E643 G655 | P402-R404 PolarHBondContact O-N 2.77Å; R404-P431 HydrophobicContact CB-CB 4.13Å; R404-P431 HydrophobicContact CB-CG 4.04Å; R404-P431 WeakPolarHBondContact O-CD 3.33Å; R404-P431 WeakPolarHBondContact O-CG 3.41Å; R404-D433 IonicContact CZ-OD1 3.14Å; R404-D433 IonicContact NH2-OD1 2.75Å; R404-D433 PolarHBondContact NH2-OD1 3.19Å; R404-D433 IonicContact NH2-OD2 2.75Å; R404-D433 PolarHBondContact NH2-OD2 2.99Å; R404-D433 VanDerWaalsContact NH2-OD2 3.12Å; R404-W617 HydrophobicContact CG-CZ2 4.01Å; R404-E643 WeakPolarHBondContact CD-OE2 3.21Å; R404-E643 VanDerWaalsContact CG-OE2 3.27Å; R404-E643 WeakPolarHBondContact CG-OE2 3.2Å; R404-G655 PolarHBondContact NH1-O 2.7Å | ||
| 405 | V | 70.6 | Confident | 62.2 | Low | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | trans | -91.3 | 146.8 | 166.2 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | V408 C428 V501 A510 R645 | V405-V408 HydrophobicContact CG1-CG2 3.63Å; V405-C428 WeakPolarHBondContact CG1-SG 3.33Å; V405-V501 HydrophobicContact CB-CG2 4.27Å; V405-V501 HydrophobicContact CG1-CG2 4.07Å; V405-V501 HydrophobicContact CG2-CG2 3.98Å; V405-A510 HydrophobicContact CG2-CB 4.05Å; V405-R645 PolarHBondContact O-NH1 3.07Å; V405-R645 PolarHBondContact O-NH2 2.84Å | ||
| 406 | G | 69.7 | Low | 61.2 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -73.1 | -148.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G429 R645 | G406-G429 VanDerWaalsContact CA-O 3.24Å; G406-G429 WeakPolarHBondContact CA-O 3.46Å; G406-G429 PolarHBondContact N-O 2.83Å; G406-R645 PolarHBondContact O-NH1 2.73Å | ||
| 407 | A | 67.9 | Low | 61 | Low | 17 Ų | 17 | 45 Ų | 45 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -70.3 | 145.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G429 L534 M652 | A407-G429 PolarHBondContact O-N 2.85Å; A407-L534 HydrophobicContact CB-CB 4.35Å; A407-L534 HydrophobicContact CB-CD1 3.69Å; A407-M652 CarbonylContact C-O 3.59Å; A407-M652 VanDerWaalsContact CA-O 3.3Å; A407-M652 WeakPolarHBondContact CA-O 3.32Å | ||
| 408 | V | 74.9 | Confident | 60.9 | Low | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.6 | -175.9 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | V405 L427 Y512 G651 M652 | V405-V408 HydrophobicContact CG1-CG2 3.63Å; V408-L427 WeakPolarHBondContact CA-O 3.27Å; V408-L427 WeakPolarHBondContact CG1-O 3.4Å; V408-Y512 HydrophobicContact CB-CD1 4.32Å; V408-Y512 HydrophobicContact CB-CE1 4.24Å; V408-Y512 HydrophobicContact CG1-CD1 3.77Å; V408-Y512 HydrophobicContact CG1-CE1 3.73Å; V408-Y512 HydrophobicContact CG2-CD1 4.17Å; V408-G651 CarbonylContact O-C 3.53Å; V408-G651 VanDerWaalsContact O-CA 3.24Å; V408-G651 WeakPolarHBondContact O-CA 3.09Å; V408-M652 PolarHBondContact N-O 3.08Å; V408-M652 PolarHBondContact O-N 2.98Å |
| 409 | S | 72.5 | Confident | 61.3 | Low | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 148.9 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | V426 L427 F650 | S409-V426 WeakPolarHBondContact OG-CG1 3.42Å; S409-L427 PolarHBondContact N-O 3.49Å; S409-L427 PolarHBondContact OG-N 2.96Å; S409-F650 CarbonylContact C-O 3.47Å; S409-F650 WeakPolarHBondContact CA-O 3.18Å |
| 410 | T | 68.9 | Low | 61.6 | Low | 30 Ų | 30 | 50.8 Ų | 50.8 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | trans | -63.1 | 142.5 | 177.6 | 64.5 | 0 | 0 | 0 | 0 | 112 | Y412 R529 S649 F650 | T410-Y412 VanDerWaalsContact C-N 3.29Å; T410-Y412 PolarHBondContact O-N 2.7Å; T410-R529 PolarHBondContact O-NH1 2.91Å; T410-R529 PolarHBondContact O-NH2 2.96Å; T410-R529 VanDerWaalsContact O-NH2 3.11Å; T410-R529 PolarHBondContact OG1-NH1 2.93Å; T410-R529 PolarHBondContact OG1-NH2 3.45Å; T410-S649 WeakPolarHBondContact CG2-O 3.43Å; T410-S649 PolarHBondContact OG1-O 2.74Å; T410-F650 PolarHBondContact N-O 2.9Å | ||
| 411 | P | 61.1 | Low | 61.9 | Low | 23 Ų | 23 | 52 Ų | 52 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | trans | -84.5 | 2.8 | -169.3 | 36.7 | -41 | 0 | 0 | 0 | 114.5 | F514 | P411-F514 HydrophobicContact CB-CB 3.86Å; P411-F514 HydrophobicContact CB-CD2 3.45Å; P411-F514 VanDerWaalsContact CB-CD2 3.45Å; P411-F514 HydrophobicContact CB-CE2 4.29Å; P411-F514 HydrophobicContact CB-CG 3.92Å; P411-F514 HydrophobicContact CG-CB 4.06Å | ||
| 412 | Y | 60.2 | Low | 62.1 | Low | 96 Ų | 96 | 51.3 Ų | 51.3 | 38% | 0.376 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.1 | -176.1 | -59.4 | -59.9 | 0 | 0 | 0 | 111.8 | T410 K519 R529 | T410-Y412 VanDerWaalsContact C-N 3.29Å; T410-Y412 PolarHBondContact O-N 2.7Å; Y412-K519 HydrophobicContact CD1-CD 4.11Å; Y412-R529 PolarHBondContact O-NH2 2.83Å |
| 413 | I | 58.5 | Low | 62.2 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.5 | 165.5 | -57.2 | 164.6 | 0 | 0 | 0 | 106.9 | F418 V424 F489 I516 N517 L518 K519 Y526 | I413-F418 HydrophobicContact CG2-CE2 3.94Å; I413-F418 HydrophobicContact CG2-CZ 3.63Å; I413-V424 HydrophobicContact CD1-CB 4.46Å; I413-V424 HydrophobicContact CD1-CG1 4.08Å; I413-V424 HydrophobicContact CD1-CG2 3.6Å; I413-V424 HydrophobicContact CG1-CG1 4.32Å; I413-V424 HydrophobicContact CG1-CG2 4.05Å; I413-F489 HydrophobicContact CD1-CD1 3.86Å; I413-F489 HydrophobicContact CD1-CD2 3.97Å; I413-F489 HydrophobicContact CD1-CE1 3.51Å; I413-F489 HydrophobicContact CD1-CE2 3.63Å; I413-F489 HydrophobicContact CD1-CG 4.09Å; I413-F489 HydrophobicContact CD1-CZ 3.4Å; I413-I516 HydrophobicContact CD1-CG2 3.37Å; I413-I516 HydrophobicContact CG1-CG2 4.08Å; I413-N517 PolarHBondContact N-O 2.93Å; I413-L518 HydrophobicContact CB-CD2 4.24Å; I413-L518 HydrophobicContact CG2-CD2 3.89Å; I413-K519 PolarHBondContact O-N 3.25Å; I413-Y526 HydrophobicContact CG2-CD2 4.34Å |
| 414 | F | 54.8 | Low | 62.7 | Low | 82 Ų | 82 | 53.1 Ų | 53.1 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.9 | 171.6 | -55.2 | -81.5 | 0 | 0 | 0 | 108.9 | K519 H521 S524 | F414-K519 HydrophobicContact CD1-CB 4.3Å; F414-K519 HydrophobicContact CE1-CD 4.47Å; F414-H521 HydrophobicContact CD1-CB 4.33Å; F414-S524 WeakPolarHBondContact CB-OG 3.32Å |
| 415 | G | 52.1 | Low | 62.9 | Low | 12 Ų | 12 | 55.2 Ų | 55.2 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | trans | 148.4 | 148.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K519 | G415-K519 PolarHBondContact N-O 3.08Š| ||
| 416 | K | 50 | Low | 63.2 | Low | 134 Ų | 134 | 55.1 Ų | 55.1 | 58% | 0.583 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -73.4 | 164.9 | 163.5 | -93.6 | 173.8 | 174.9 | 162.1 | 0 | 110.9 | F418 | K416-F418 PolarHBondContact O-N 2.95Š|
| 417 | I | 53.9 | Low | 63.7 | Low | 163 Ų | 163 | 55.1 Ų | 55.1 | 84% | 0.836 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -35.2 | 107.9 | 178.2 | -58.5 | 172.2 | 0 | 0 | 0 | 111.1 | R419 | I417-R419 PolarHBondContact O-N 3.22Å; I417-R419 VanDerWaalsContact O-N 3.16Å |
| 418 | F | 53.4 | Low | 64.3 | Low | 61 Ų | 61 | 54.3 Ų | 54.3 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | trans | -67.5 | 114.9 | -170.4 | -61.2 | -73.3 | 0 | 0 | 0 | 110.9 | I413 K416 S420 T422 L518 | I413-F418 HydrophobicContact CG2-CE2 3.94Å; I413-F418 HydrophobicContact CG2-CZ 3.63Å; K416-F418 PolarHBondContact O-N 2.95Å; F418-S420 VanDerWaalsContact CB-O 3.32Å; F418-S420 WeakPolarHBondContact CB-O 3.11Å; F418-S420 PolarHBondContact O-N 3.35Å; F418-T422 HydrophobicContact CD1-CG2 3.54Å; F418-T422 HydrophobicContact CD2-CG2 4.42Å; F418-T422 WeakPolarHBondContact CD2-OG1 3.35Å; F418-T422 HydrophobicContact CE1-CG2 3.7Å; F418-T422 WeakPolarHBondContact CE2-OG1 3.46Å; F418-T422 HydrophobicContact CG-CG2 3.93Å; F418-T422 WeakPolarHBondContact CG-OG1 3.28Å; F418-T422 HydrophobicContact CZ-CG2 4.21Å; F418-L518 HydrophobicContact CE2-CD2 3.94Å | ||
| 419 | R | 53.5 | Low | 64.1 | Low | 258 Ų | 258 | 54.6 Ų | 54.6 | 97% | 0.974 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -71.1 | -10.2 | 175.3 | -68.1 | -176.3 | 176.1 | -179.8 | -1.5 | 113.4 | I417 | I417-R419 PolarHBondContact O-N 3.22Å; I417-R419 VanDerWaalsContact O-N 3.16Å |
| 420 | S | 57.4 | Low | 63.9 | Low | 80 Ų | 80 | 58 Ų | 58 | 56% | 0.559 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -131.3 | 152.8 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | F418 T422 | F418-S420 VanDerWaalsContact CB-O 3.32Å; F418-S420 WeakPolarHBondContact CB-O 3.11Å; F418-S420 PolarHBondContact O-N 3.35Å; S420-T422 PolarHBondContact O-N 2.92Å |
| 421 | P | 59.7 | Low | 63.7 | Low | 76 Ų | 76 | 57.3 Ų | 57.3 | 49% | 0.494 | 29% | 0.285 | S | S | . | . | trans | -67.6 | 107.2 | -178.8 | 28 | -35.4 | 0 | 0 | 0 | 111.1 | Y487 P488 | P421-Y487 HydrophobicContact CB-CE2 3.76Å; P421-Y487 HydrophobicContact CG-CE2 4.12Å; P421-Y487 WeakPolarHBondContact O-CE2 3.32Å; P421-P488 HydrophobicContact CB-CB 3.73Å | ||
| 422 | T | 63 | Low | 63.6 | Low | 22 Ų | 22 | 63.4 Ų | 63.4 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | trans | -80.1 | 132.3 | 171.8 | 30.5 | 0 | 0 | 0 | 0 | 111.3 | F418 S420 F489 | F418-T422 HydrophobicContact CD1-CG2 3.54Å; F418-T422 HydrophobicContact CD2-CG2 4.42Å; F418-T422 WeakPolarHBondContact CD2-OG1 3.35Å; F418-T422 HydrophobicContact CE1-CG2 3.7Å; F418-T422 WeakPolarHBondContact CE2-OG1 3.46Å; F418-T422 HydrophobicContact CG-CG2 3.93Å; F418-T422 WeakPolarHBondContact CG-OG1 3.28Å; F418-T422 HydrophobicContact CZ-CG2 4.21Å; S420-T422 PolarHBondContact O-N 2.92Å; T422-F489 PolarHBondContact O-N 2.71Å | ||
| 423 | A | 68.5 | Low | 63.4 | Low | 35 Ų | 35 | 60 Ų | 60 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | trans | -86.9 | 122.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | L485 I486 Y487 Y526 | A423-L485 HydrophobicContact CB-CD1 4.26Å; A423-I486 WeakPolarHBondContact CA-O 3.36Å; A423-Y487 HydrophobicContact CB-CD2 3.68Å; A423-Y487 HydrophobicContact CB-CG 4.23Å; A423-Y526 WeakPolarHBondContact O-CE1 3.08Å | ||
| 424 | V | 73.7 | Confident | 63 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.3 | 172.8 | 172.7 | 0 | 0 | 0 | 0 | 108.2 | I413 V426 I486 F489 | I413-V424 HydrophobicContact CD1-CB 4.46Å; I413-V424 HydrophobicContact CD1-CG1 4.08Å; I413-V424 HydrophobicContact CD1-CG2 3.6Å; I413-V424 HydrophobicContact CG1-CG1 4.32Å; I413-V424 HydrophobicContact CG1-CG2 4.05Å; V424-V426 HydrophobicContact CG1-CG2 4.1Å; V424-I486 HydrophobicContact CB-CB 4.43Å; V424-I486 PolarHBondContact N-O 3.38Å; V424-I486 PolarHBondContact O-N 2.87Å; V424-F489 HydrophobicContact CB-CB 4.29Å; V424-F489 HydrophobicContact CB-CD2 4.05Å; V424-F489 HydrophobicContact CB-CG 4.38Å; V424-F489 HydrophobicContact CG1-CD2 4.47Å; V424-F489 HydrophobicContact CG2-CB 3.59Å; V424-F489 HydrophobicContact CG2-CD1 4.39Å; V424-F489 HydrophobicContact CG2-CD2 3.75Å; V424-F489 HydrophobicContact CG2-CG 3.65Å |
| 425 | R | 76 | Confident | 62.7 | Low | 52 Ų | 52 | 63.9 Ų | 63.9 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.2 | 177.5 | -164.2 | -179.6 | -164.3 | -124.2 | -13.4 | 109.2 | L427 E479 D481 L484 L485 Y526 | R425-L427 HydrophobicContact CG-CD2 4.13Å; R425-E479 IonicContact CZ-OE1 3.86Å; R425-E479 IonicContact CZ-OE2 3.81Å; R425-E479 IonicContact NE-OE1 3.86Å; R425-E479 PolarHBondContact NE-OE1 3.23Å; R425-E479 IonicContact NE-OE2 2.7Å; R425-E479 PolarHBondContact NE-OE2 2.89Å; R425-E479 IonicContact NH2-OE1 2.67Å; R425-E479 IonicContact NH2-OE2 3.75Å; R425-E479 PolarHBondContact NH2-OE2 3.13Å; R425-D481 IonicContact CZ-OD2 2.73Å; R425-D481 IonicContact NH2-OD1 2.98Å; R425-D481 IonicContact NH2-OD2 3.3Å; R425-D481 PolarHBondContact NH2-OD2 2.95Å; R425-L484 WeakPolarHBondContact CA-O 3.4Å; R425-L485 HydrophobicContact CB-CD1 4.31Å; R425-L485 HydrophobicContact CG-CD1 4.49Å; R425-Y526 PolarHBondContact N-OH 3.01Å |
| 426 | V | 78 | Confident | 62.3 | Low | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.8 | 176.1 | -163.2 | 0 | 0 | 0 | 0 | 109.4 | S409 V424 W459 S483 L484 F514 I516 | S409-V426 WeakPolarHBondContact OG-CG1 3.42Å; V424-V426 HydrophobicContact CG1-CG2 4.1Å; V426-W459 HydrophobicContact CG1-CH2 4.36Å; V426-S483 WeakPolarHBondContact O-CA 3.37Å; V426-S483 WeakPolarHBondContact O-CB 3.46Å; V426-L484 HydrophobicContact CB-CB 4.43Å; V426-L484 PolarHBondContact N-O 3.22Å; V426-L484 PolarHBondContact O-N 2.76Å; V426-F514 HydrophobicContact CB-CZ 4.29Å; V426-F514 HydrophobicContact CG1-CE1 4.23Å; V426-F514 HydrophobicContact CG1-CE2 3.96Å; V426-F514 HydrophobicContact CG1-CZ 3.55Å; V426-F514 HydrophobicContact CG2-CE2 4.44Å; V426-I516 HydrophobicContact CG2-CD1 4.13Å |
| 427 | L | 79.9 | Confident | 61.5 | Low | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -80.5 | 134.9 | -177.6 | -52.1 | 179.8 | 0 | 0 | 0 | 109.5 | V408 S409 R425 S483 R529 T530 Y531 L534 | V408-L427 WeakPolarHBondContact CA-O 3.27Å; V408-L427 WeakPolarHBondContact CG1-O 3.4Å; S409-L427 PolarHBondContact N-O 3.49Å; S409-L427 PolarHBondContact OG-N 2.96Å; R425-L427 HydrophobicContact CG-CD2 4.13Å; L427-S483 WeakPolarHBondContact CD2-OG 3.28Å; L427-R529 HydrophobicContact CD1-CB 4.4Å; L427-T530 VanDerWaalsContact CD1-C 3.44Å; L427-Y531 HydrophobicContact CB-CE1 4.06Å; L427-Y531 HydrophobicContact CB-CE2 4.34Å; L427-Y531 HydrophobicContact CD1-CD1 4.31Å; L427-Y531 HydrophobicContact CD1-CD2 4.16Å; L427-Y531 HydrophobicContact CD1-CE2 4.39Å; L427-Y531 HydrophobicContact CD1-CG 4.11Å; L427-Y531 HydrophobicContact CD2-CD2 4.25Å; L427-Y531 HydrophobicContact CD2-CE2 3.9Å; L427-Y531 HydrophobicContact CG-CE2 4.43Å; L427-L534 HydrophobicContact CB-CD1 4.34Å; L427-L534 HydrophobicContact CD1-CD1 4.02Å; L427-L534 HydrophobicContact CD1-CG 4.47Å | ||
| 428 | C | 79.8 | Confident | 60.5 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -140.5 | 103.6 | 170.7 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | V405 I457 W459 C499 Y531 | V405-C428 WeakPolarHBondContact CG1-SG 3.33Å; C428-I457 VanDerWaalsContact O-CD1 3.24Å; C428-I457 WeakPolarHBondContact O-CD1 3.4Å; C428-W459 HydrophobicContact CB-CH2 4.04Å; C428-W459 HydrophobicContact CB-CZ2 3.52Å; C428-C499 HydrophobicContact CB-CB 3.86Å; C428-C499 WeakPolarHBondContact CB-SG 3.45Å; C428-C499 WeakPolarHBondContact SG-CB 3.48Å; C428-C499 CovalentContact SG-SG 2.03Å; C428-C499 PolarHBondContact SG-SG 2.92Å; C428-Y531 PolarHBondContact N-OH 2.69Å; C428-Y531 PolarHBondContact O-OH 3.09Å |
| 429 | G | 70.5 | Confident | 59.4 | Low | 9 Ų | 9 | 72.3 Ų | 72.3 | 9% | 0.093 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -79 | 161.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | G406 A407 | G406-G429 VanDerWaalsContact CA-O 3.24Å; G406-G429 WeakPolarHBondContact CA-O 3.46Å; G406-G429 PolarHBondContact N-O 2.83Å; A407-G429 PolarHBondContact O-N 2.85Å |
| 430 | I | 68.7 | Low | 58.4 | Low | 73 Ų | 73 | 67.8 Ų | 67.8 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 138.4 | 160.8 | -57.5 | 175.5 | 0 | 0 | 0 | 107.4 | L432 I457 | I430-L432 PolarHBondContact O-N 3Å; I430-I457 HydrophobicContact CD1-CD1 4.39Å; I430-I457 HydrophobicContact CG1-CD1 3.73Å; I430-I457 HydrophobicContact CG1-CG1 4.1Å |
| 431 | P | 64.9 | Low | 56.9 | Low | 15 Ų | 15 | 68.1 Ų | 68.1 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 134.7 | 175.7 | 28.9 | -37.5 | 0 | 0 | 0 | 111.4 | R404 | R404-P431 HydrophobicContact CB-CB 4.13Å; R404-P431 HydrophobicContact CB-CG 4.04Å; R404-P431 WeakPolarHBondContact O-CD 3.33Å; R404-P431 WeakPolarHBondContact O-CG 3.41Å |
| 432 | L | 59.9 | Low | 55.4 | Low | 152 Ų | 152 | 69.4 Ų | 69.4 | 80% | 0.796 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 120 | 168.9 | -62.8 | 175.4 | 0 | 0 | 0 | 108.6 | I430 P434 | I430-L432 PolarHBondContact O-N 3Å; L432-P434 WeakPolarHBondContact O-CD 3.25Å |
| 433 | D | 55.4 | Low | 53.9 | Low | 23 Ų | 23 | 76.7 Ų | 76.7 | 12% | 0.123 | 42% | 0.42 | C | S | . | . | trans | -107.9 | 103.8 | -172.6 | -84.7 | 39.4 | 0 | 0 | 0 | 111.1 | R404 V435 F436 R503 | R404-D433 IonicContact CZ-OD1 3.14Å; R404-D433 IonicContact NH2-OD1 2.75Å; R404-D433 PolarHBondContact NH2-OD1 3.19Å; R404-D433 IonicContact NH2-OD2 2.75Å; R404-D433 PolarHBondContact NH2-OD2 2.99Å; R404-D433 VanDerWaalsContact NH2-OD2 3.12Å; D433-V435 PolarHBondContact O-N 3.09Å; D433-F436 HydrophobicContact CB-CD2 4.38Å; D433-R503 IonicContact OD1-NH1 2.72Å; D433-R503 IonicContact OD1-NH2 3.76Å; D433-R503 IonicContact OD2-CZ 3.07Å; D433-R503 IonicContact OD2-NH1 3.6Å; D433-R503 PolarHBondContact OD2-NH1 2.97Å; D433-R503 IonicContact OD2-NH2 2.74Å; D433-R503 PolarHBondContact OD2-NH2 3.48Å | ||
| 434 | P | 49.6 | Very low | 51.8 | Low | 95 Ų | 95 | 79.7 Ų | 79.7 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -69.9 | -13.2 | -178.5 | 28.7 | -35.8 | 0 | 0 | 0 | 113.9 | L432 F436 N437 | L432-P434 WeakPolarHBondContact O-CD 3.25Å; P434-F436 PolarHBondContact O-N 3.15Å; P434-N437 PolarHBondContact O-N 3.15Å |
| 435 | V | 48.8 | Very low | 49.7 | Very low | 72 Ų | 72 | 86 Ų | 86 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -59.5 | -20.9 | -174.8 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | D433 | D433-V435 PolarHBondContact O-N 3.09Š|
| 436 | F | 44.8 | Very low | 47.3 | Very low | 101 Ų | 101 | 89.4 Ų | 89.4 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -87.4 | -2.6 | -178.5 | -73 | -80 | 0 | 0 | 0 | 115.5 | I401 D433 P434 | I401-F436 HydrophobicContact CD1-CE2 3.86Å; I401-F436 HydrophobicContact CD1-CZ 4.04Å; D433-F436 HydrophobicContact CB-CD2 4.38Å; P434-F436 PolarHBondContact O-N 3.15Å |
| 437 | N | 32.8 | Very low | 45 | Very low | 141 Ų | 141 | 97.7 Ų | 97.7 | 75% | 0.754 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -95.5 | 5.5 | -176.3 | -87.1 | 23 | 0 | 0 | 0 | 115.5 | P434 | P434-N437 PolarHBondContact O-N 3.15Š|
| 438 | Y | 32.9 | Very low | 42.7 | Very low | 223 Ų | 223 | 106.9 Ų | 106.9 | 88% | 0.875 | 58% | 0.582 | S | S | * | * | trans | -92.5 | 12.6 | -178.1 | -85 | -80.6 | 0 | 0 | 0 | 115.1 | ||||
| 439 | S | 28.8 | Very low | 40.5 | Very low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -93.9 | 133.9 | 170.2 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 440 | H | 32.9 | Very low | 38.7 | Very low | 163 Ų | 163 | 117 Ų | 117 | 76% | 0.755 | 64% | 0.639 | S | S | * | * | trans | 65.6 | 85.1 | 176.9 | -56.3 | -79 | 0 | 0 | 0 | 116.6 | T442 | H440-T442 PolarHBondContact O-N 2.8Š| ||
| 441 | G | 27.3 | Very low | 37.3 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 89% | 0.887 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -69.1 | 69.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 442 | T | 27.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 63% | 0.632 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -168.6 | 132.1 | 169.2 | -2.6 | 0 | 0 | 0 | 0 | 111.3 | H440 | H440-T442 PolarHBondContact O-N 2.8Š|
| 443 | Q | 30.4 | Very low | 35.3 | Very low | 176 Ų | 176 | 117.9 Ų | 117.9 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | 64.3 | 129.1 | 168.5 | -61.6 | -177.1 | -9.1 | 0 | 0 | 118.4 | I445 | Q443-I445 PolarHBondContact O-N 2.78Š| ||
| 444 | S | 26.1 | Very low | 35.5 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | -69.3 | 117.2 | 172 | 50.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 445 | I | 29.7 | Very low | 36.1 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | trans | -124.2 | 103 | 167.3 | -60.3 | -178.1 | 0 | 0 | 0 | 109.6 | Q443 K447 | Q443-I445 PolarHBondContact O-N 2.78Å; I445-K447 VanDerWaalsContact C-N 3.34Å; I445-K447 HydrophobicContact CG2-CB 4.44Å; I445-K447 HydrophobicContact CG2-CG 4.34Å; I445-K447 PolarHBondContact O-N 3.5Å | ||
| 446 | S | 25.3 | Very low | 37.1 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -76.7 | 79.3 | 172.7 | 45.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 447 | K | 30 | Very low | 38.5 | Very low | 178 Ų | 178 | 118.4 Ų | 118.4 | 77% | 0.774 | 64% | 0.644 | S | S | * | * | trans | -136.2 | 131.9 | 163.7 | -71.9 | -171.7 | 175.9 | 179 | 0 | 109.8 | I445 P449 | I445-K447 VanDerWaalsContact C-N 3.34Å; I445-K447 HydrophobicContact CG2-CB 4.44Å; I445-K447 HydrophobicContact CG2-CG 4.34Å; I445-K447 PolarHBondContact O-N 3.5Å; K447-P449 WeakPolarHBondContact O-CD 3.29Å | ||
| 448 | E | 31.4 | Very low | 40.7 | Very low | 193 Ų | 193 | 114 Ų | 114 | 90% | 0.902 | 62% | 0.62 | S | S | * | * | trans | -59.2 | 122.1 | 171.6 | -68.3 | 172.8 | 105.8 | 0 | 0 | 109.3 | ||||
| 449 | P | 32.3 | Very low | 43 | Very low | 97 Ų | 97 | 103.5 Ų | 103.5 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | trans | -74.4 | 131.3 | 173.5 | 31.1 | -33.3 | 0 | 0 | 0 | 108.9 | K447 L451 | K447-P449 WeakPolarHBondContact O-CD 3.29Å; P449-L451 HydrophobicContact CB-CD1 3.89Å; P449-L451 HydrophobicContact CG-CD1 4.13Å; P449-L451 PolarHBondContact O-N 2.86Å | ||
| 450 | D | 32.6 | Very low | 45.6 | Very low | 124 Ų | 124 | 100.5 Ų | 100.5 | 66% | 0.663 | 56% | 0.556 | S | S | * | * | trans | -72.1 | 65.7 | -179.8 | -176.2 | 16.7 | 0 | 0 | 0 | 112.1 | S452 | D450-S452 VanDerWaalsContact C-N 3.27Å; D450-S452 PolarHBondContact O-N 3.17Å; D450-S452 PolarHBondContact OD1-OG 2.83Å; D450-S452 VanDerWaalsContact OD1-OG 3.1Å | ||
| 451 | L | 40 | Very low | 47.9 | Very low | 118 Ų | 118 | 94.9 Ų | 94.9 | 62% | 0.618 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -77.2 | -14.6 | -173.6 | -120.4 | 72.7 | 0 | 0 | 0 | 112.8 | P449 A453 | P449-L451 HydrophobicContact CB-CD1 3.89Å; P449-L451 HydrophobicContact CG-CD1 4.13Å; P449-L451 PolarHBondContact O-N 2.86Å; L451-A453 VanDerWaalsContact C-N 3.32Å; L451-A453 PolarHBondContact O-N 2.85Å |
| 452 | S | 38.9 | Very low | 50.3 | Low | 94 Ų | 94 | 96.1 Ų | 96.1 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -63.3 | -33.9 | -174.4 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | D450 R454 | D450-S452 VanDerWaalsContact C-N 3.27Å; D450-S452 PolarHBondContact O-N 3.17Å; D450-S452 PolarHBondContact OD1-OG 2.83Å; D450-S452 VanDerWaalsContact OD1-OG 3.1Å; S452-R454 VanDerWaalsContact C-N 3.25Å; S452-R454 PolarHBondContact O-N 2.7Å; S452-R454 VanDerWaalsContact O-N 3.09Å |
| 453 | A | 44.6 | Very low | 52.3 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -71.9 | -7.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L451 K504 | L451-A453 VanDerWaalsContact C-N 3.32Å; L451-A453 PolarHBondContact O-N 2.85Å; A453-K504 PolarHBondContact O-NZ 3.03Å |
| 454 | R | 59.3 | Low | 54.5 | Low | 139 Ų | 139 | 93 Ų | 93 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -99.9 | -6 | -162.1 | -71.8 | -178.7 | 173.3 | -171.2 | -1.7 | 116.7 | S452 K504 V505 | S452-R454 VanDerWaalsContact C-N 3.25Å; S452-R454 PolarHBondContact O-N 2.7Å; S452-R454 VanDerWaalsContact O-N 3.09Å; R454-K504 WeakPolarHBondContact O-CB 3.48Å; R454-K504 PolarHBondContact O-N 3.14Å; R454-V505 HydrophobicContact CB-CG2 4.12Å; R454-V505 HydrophobicContact CG-CG2 4.25Å |
| 455 | S | 61.9 | Low | 56.7 | Low | 16 Ų | 16 | 94.5 Ų | 94.5 | 11% | 0.112 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.4 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | Y502 | S455-Y502 CarbonylContact C-O 3.59Å; S455-Y502 WeakPolarHBondContact CA-O 3.5Å |
| 456 | H | 69.4 | Low | 58.9 | Low | 116 Ų | 116 | 89.3 Ų | 89.3 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.6 | 175.1 | -69.8 | -45.6 | 0 | 0 | 0 | 111.1 | Y502 | H456-Y502 PolarHBondContact N-O 2.97Å; H456-Y502 PolarHBondContact O-N 3.14Å |
| 457 | I | 74 | Confident | 60.7 | Low | 30 Ų | 30 | 90.7 Ų | 90.7 | 15% | 0.154 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.5 | 171.4 | -66.5 | 160.9 | 0 | 0 | 0 | 108.9 | C428 I430 V501 | C428-I457 VanDerWaalsContact O-CD1 3.24Å; C428-I457 WeakPolarHBondContact O-CD1 3.4Å; I430-I457 HydrophobicContact CD1-CD1 4.39Å; I430-I457 HydrophobicContact CG1-CD1 3.73Å; I430-I457 HydrophobicContact CG1-CG1 4.1Å; I457-V501 HydrophobicContact CG1-CG2 4.24Å |
| 458 | I | 79 | Confident | 62 | Low | 50 Ų | 50 | 90 Ų | 90 | 26% | 0.256 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.5 | 176.1 | -61.1 | 170.6 | 0 | 0 | 0 | 107.3 | L460 F465 S500 F509 | I458-L460 HydrophobicContact CG2-CD2 4.39Å; I458-F465 HydrophobicContact CG2-CD1 3.67Å; I458-F465 HydrophobicContact CG2-CE1 3.78Å; I458-S500 PolarHBondContact N-O 3.35Å; I458-S500 PolarHBondContact O-N 2.87Å; I458-F509 HydrophobicContact CD1-CE1 4.36Å |
| 459 | W | 82 | Confident | 63.2 | Low | 1 Ų | 1 | 82.9 Ų | 82.9 | 0% | 0.004 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.7 | 174.7 | -78.1 | 99.5 | 0 | 0 | 0 | 111.2 | V426 C428 I466 I478 G482 L484 C499 F514 | V426-W459 HydrophobicContact CG1-CH2 4.36Å; C428-W459 HydrophobicContact CB-CH2 4.04Å; C428-W459 HydrophobicContact CB-CZ2 3.52Å; W459-I466 HydrophobicContact CB-CB 4.06Å; W459-I466 HydrophobicContact CB-CD1 3.93Å; W459-I466 HydrophobicContact CB-CG1 4.15Å; W459-I466 PolarHBondContact O-N 3.1Å; W459-I478 HydrophobicContact CB-CD1 4.1Å; W459-I478 HydrophobicContact CG-CD1 4.37Å; W459-I478 HydrophobicContact CG-CG1 4.46Å; W459-G482 PolarHBondContact NE1-O 3.26Å; W459-L484 HydrophobicContact CD2-CB 4.01Å; W459-L484 HydrophobicContact CD2-CD1 4.44Å; W459-L484 HydrophobicContact CD2-CD2 4.38Å; W459-L484 HydrophobicContact CE3-CB 4.42Å; W459-L484 HydrophobicContact CE3-CD2 4.13Å; W459-L484 HydrophobicContact CG-CD1 4.3Å; W459-L484 HydrophobicContact CH2-CB 4.14Å; W459-L484 HydrophobicContact CZ2-CB 3.71Å; W459-L484 HydrophobicContact CZ3-CB 4.49Å; W459-L484 HydrophobicContact CZ3-CD2 4.27Å; W459-C499 HydrophobicContact CD2-CB 4.38Å; W459-C499 HydrophobicContact CE3-CB 4.08Å; W459-C499 HydrophobicContact CH2-CB 3.7Å; W459-C499 HydrophobicContact CZ2-CB 4Å; W459-C499 HydrophobicContact CZ3-CB 3.72Å; W459-F514 AromaticContact CH2-CE1 3.69Å; W459-F514 HydrophobicContact CH2-CE1 3.69Å; W459-F514 AromaticContact CH2-CZ 3.59Å; W459-F514 HydrophobicContact CH2-CZ 3.59Å; W459-F514 AromaticContact CZ3-CE1 3.52Å; W459-F514 HydrophobicContact CZ3-CE1 3.52Å; W459-F514 AromaticContact CZ3-CZ 3.39Å; W459-F514 HydrophobicContact CZ3-CZ 3.39Å |
| 460 | L | 82.6 | Confident | 63.8 | Low | 20 Ų | 20 | 84.7 Ų | 84.7 | 11% | 0.105 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.2 | 170.2 | -48.8 | 173.6 | 0 | 0 | 0 | 110 | I458 E464 F465 Y497 T498 | I458-L460 HydrophobicContact CG2-CD2 4.39Å; L460-E464 CarbonylContact C-O 3.55Å; L460-E464 WeakPolarHBondContact CA-O 3Å; L460-F465 HydrophobicContact CD2-CB 4.4Å; L460-F465 HydrophobicContact CD2-CD1 3.71Å; L460-F465 HydrophobicContact CD2-CD2 4.09Å; L460-F465 HydrophobicContact CD2-CE1 3.93Å; L460-F465 HydrophobicContact CD2-CE2 4.28Å; L460-F465 HydrophobicContact CD2-CG 3.79Å; L460-F465 HydrophobicContact CD2-CZ 4.21Å; L460-Y497 WeakPolarHBondContact O-CA 3.41Å; L460-T498 HydrophobicContact CD1-CG2 4.46Å; L460-T498 PolarHBondContact N-O 3.33Å; L460-T498 PolarHBondContact O-N 2.9Å |
| 461 | N | 80.9 | Confident | 64.9 | Low | 46 Ų | 46 | 82 Ų | 82 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.1 | 169 | -179.2 | 14.6 | 0 | 0 | 0 | 108.8 | G463 E464 I466 Y497 | N461-G463 PolarHBondContact O-N 3Å; N461-E464 PolarHBondContact N-O 2.88Å; N461-E464 PolarHBondContact O-N 3.08Å; N461-I466 HydrophobicContact CB-CD1 4.03Å; N461-I466 HydrophobicContact CB-CG1 4.02Å; N461-Y497 HydrophobicContact CB-CD1 4.2Å; N461-Y497 HydrophobicContact CB-CE1 4.02Å |
| 462 | N | 77.8 | Confident | 65.7 | Low | 111 Ų | 111 | 82.6 Ų | 82.6 | 59% | 0.594 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 23 | -175.3 | -62.1 | -34.3 | 0 | 0 | 0 | 114.7 | N496 | N462-N496 PolarHBondContact N-O 2.03Å; N462-N496 PolarHBondContact OD1-N 3.09Å |
| 463 | G | 71 | Confident | 66.5 | Low | 54 Ų | 54 | 85.3 Ų | 85.3 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.3 | -20.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N461 | N461-G463 PolarHBondContact O-N 3Š|
| 464 | E | 75.2 | Confident | 67.5 | Low | 159 Ų | 159 | 85 Ų | 85 | 74% | 0.743 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 148 | 178.6 | -64 | -164.7 | 144.7 | 0 | 0 | 112.4 | L460 N461 I466 | L460-E464 CarbonylContact C-O 3.55Å; L460-E464 WeakPolarHBondContact CA-O 3Å; N461-E464 PolarHBondContact N-O 2.88Å; N461-E464 PolarHBondContact O-N 3.08Å; E464-I466 PolarHBondContact O-N 3.36Å |
| 465 | F | 73.1 | Confident | 68.3 | Low | 130 Ų | 130 | 81.6 Ų | 81.6 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.2 | -179.6 | -72.9 | -98.9 | 0 | 0 | 0 | 111.9 | I458 L460 H467 | I458-F465 HydrophobicContact CG2-CD1 3.67Å; I458-F465 HydrophobicContact CG2-CE1 3.78Å; L460-F465 HydrophobicContact CD2-CB 4.4Å; L460-F465 HydrophobicContact CD2-CD1 3.71Å; L460-F465 HydrophobicContact CD2-CD2 4.09Å; L460-F465 HydrophobicContact CD2-CE1 3.93Å; L460-F465 HydrophobicContact CD2-CE2 4.28Å; L460-F465 HydrophobicContact CD2-CG 3.79Å; L460-F465 HydrophobicContact CD2-CZ 4.21Å; F465-H467 VanDerWaalsContact C-N 3.29Å; F465-H467 PolarHBondContact O-CD2 3.12Å; F465-H467 VanDerWaalsContact O-CD2 3.27Å; F465-H467 PolarHBondContact O-N 2.84Å |
| 466 | I | 74.9 | Confident | 69.1 | Low | 26 Ų | 26 | 82.2 Ų | 82.2 | 13% | 0.133 | 45% | 0.447 | C | S | . | . | trans | -74.9 | 88.2 | 165.8 | -51.1 | -172.7 | 0 | 0 | 0 | 107.5 | W459 N461 E464 K468 I476 I478 L484 Y497 | W459-I466 HydrophobicContact CB-CB 4.06Å; W459-I466 HydrophobicContact CB-CD1 3.93Å; W459-I466 HydrophobicContact CB-CG1 4.15Å; W459-I466 PolarHBondContact O-N 3.1Å; N461-I466 HydrophobicContact CB-CD1 4.03Å; N461-I466 HydrophobicContact CB-CG1 4.02Å; E464-I466 PolarHBondContact O-N 3.36Å; I466-K468 PolarHBondContact O-N 3.01Å; I466-I476 HydrophobicContact CD1-CG2 4.29Å; I466-I476 HydrophobicContact CG2-CG2 3.99Å; I466-I478 HydrophobicContact CB-CD1 4.49Å; I466-I478 HydrophobicContact CG2-CD1 4.35Å; I466-I478 HydrophobicContact CG2-CG1 4.49Å; I466-I478 WeakPolarHBondContact O-CD1 3.05Å; I466-L484 HydrophobicContact CD1-CD1 3.84Å; I466-L484 HydrophobicContact CD1-CD2 4.49Å; I466-Y497 HydrophobicContact CD1-CD1 4.03Å; I466-Y497 HydrophobicContact CD1-CE1 4.08Å | ||
| 467 | H | 63.4 | Low | 69.4 | Low | 155 Ų | 155 | 78.1 Ų | 78.1 | 72% | 0.718 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 135.8 | 174.6 | -70.9 | -86.2 | 0 | 0 | 0 | 110.3 | F465 P469 | F465-H467 VanDerWaalsContact C-N 3.29Å; F465-H467 PolarHBondContact O-CD2 3.12Å; F465-H467 VanDerWaalsContact O-CD2 3.27Å; F465-H467 PolarHBondContact O-N 2.84Å; H467-P469 WeakPolarHBondContact O-CD 3.35Å; H467-P469 VanDerWaalsContact O-N 3.1Å |
| 468 | K | 58.2 | Low | 69.4 | Low | 162 Ų | 162 | 78.1 Ų | 78.1 | 70% | 0.704 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 118 | 173.1 | -82.9 | -166.5 | 171.3 | -167.3 | 0 | 108.8 | I466 S470 I478 | I466-K468 PolarHBondContact O-N 3.01Å; K468-S470 PolarHBondContact O-N 3.29Å; K468-I478 HydrophobicContact CG-CD1 4.49Å |
| 469 | P | 55.7 | Low | 69.2 | Low | 45 Ų | 45 | 78.2 Ų | 78.2 | 29% | 0.292 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 131.1 | -176.9 | 26.7 | -33.2 | 0 | 0 | 0 | 110.3 | H467 S471 S474 | H467-P469 WeakPolarHBondContact O-CD 3.35Å; H467-P469 VanDerWaalsContact O-N 3.1Å; P469-S471 PolarHBondContact O-N 3.17Å; P469-S474 VanDerWaalsContact CG-CB 3.44Å |
| 470 | S | 45.4 | Very low | 68.6 | Low | 135 Ų | 135 | 83.8 Ų | 83.8 | 94% | 0.944 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -70.7 | 4.4 | 178.1 | -43.7 | 0 | 0 | 0 | 0 | 114 | K468 | K468-S470 PolarHBondContact O-N 3.29Š|
| 471 | S | 54.8 | Low | 67.9 | Low | 66 Ų | 66 | 86 Ų | 86 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -133.8 | 140.6 | -178.9 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | P469 N473 | P469-S471 PolarHBondContact O-N 3.17Å; S471-N473 PolarHBondContact O-N 2.78Å |
| 472 | P | 57.1 | Low | 67.5 | Low | 131 Ų | 131 | 84.1 Ų | 84.1 | 85% | 0.851 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.4 | -178.2 | 28.9 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 473 | N | 57 | Low | 67.4 | Low | 151 Ų | 151 | 78.9 Ų | 78.9 | 81% | 0.807 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 19.5 | -178 | -69.6 | -1.2 | 0 | 0 | 0 | 113.4 | S471 R475 | S471-N473 PolarHBondContact O-N 2.78Å; N473-R475 PolarHBondContact O-N 2.73Å |
| 474 | S | 65.6 | Low | 67.9 | Low | 42 Ų | 42 | 76.3 Ų | 76.3 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | trans | -73.6 | 126.7 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | P469 I476 | P469-S474 VanDerWaalsContact CG-CB 3.44Å; S474-I476 WeakPolarHBondContact CB-O 3.35Å; S474-I476 PolarHBondContact O-N 2.77Å; S474-I476 PolarHBondContact OG-O 3.03Å | ||
| 475 | R | 75.9 | Confident | 68.1 | Low | 67 Ų | 67 | 70.7 Ų | 70.7 | 25% | 0.253 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -59.8 | -25.8 | 179.5 | -163.1 | -172.7 | 65.3 | 80.9 | 0.4 | 114 | N473 I486 Y487 P488 D493 | N473-R475 PolarHBondContact O-N 2.73Å; R475-I486 CarbonylContact O-C 3.6Å; R475-I486 WeakPolarHBondContact O-CA 3.47Å; R475-Y487 WeakPolarHBondContact CA-O 3.22Å; R475-Y487 WeakPolarHBondContact CG-O 3.38Å; R475-Y487 PolarHBondContact O-N 3.42Å; R475-P488 PolarHBondContact NH1-O 3.16Å; R475-D493 IonicContact CZ-OD1 2.77Å; R475-D493 VanDerWaalsContact CZ-OD1 3.3Å; R475-D493 IonicContact CZ-OD2 3.67Å; R475-D493 VanDerWaalsContact NH1-CG 3.26Å; R475-D493 IonicContact NH1-OD1 3.7Å; R475-D493 PolarHBondContact NH1-OD1 2.64Å; R475-D493 IonicContact NH1-OD2 3.8Å; R475-D493 PolarHBondContact NH1-OD2 2.96Å; R475-D493 IonicContact NH2-OD1 3.57Å; R475-D493 PolarHBondContact NH2-OD1 3.45Å; R475-D493 IonicContact NH2-OD2 2.77Å |
| 476 | I | 77.7 | Confident | 68.4 | Low | 30 Ų | 30 | 64.5 Ų | 64.5 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.1 | 168.4 | -58.5 | 179.4 | 0 | 0 | 0 | 106.5 | I466 S474 L484 L485 I486 | I466-I476 HydrophobicContact CD1-CG2 4.29Å; I466-I476 HydrophobicContact CG2-CG2 3.99Å; S474-I476 WeakPolarHBondContact CB-O 3.35Å; S474-I476 PolarHBondContact O-N 2.77Å; S474-I476 PolarHBondContact OG-O 3.03Å; I476-L484 HydrophobicContact CG2-CD1 3.84Å; I476-L485 WeakPolarHBondContact CA-O 3.33Å; I476-I486 HydrophobicContact CG1-CG1 4.29Å; I476-I486 HydrophobicContact CG1-CG2 4.18Å; I476-I486 HydrophobicContact CG2-CG1 4.42Å |
| 477 | S | 75.3 | Confident | 68.4 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 21% | 0.21 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.9 | -177.6 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | L485 | S477-L485 PolarHBondContact N-O 2.83Å; S477-L485 PolarHBondContact O-N 3.17Å |
| 478 | I | 75.8 | Confident | 68.8 | Low | 30 Ų | 30 | 63.8 Ų | 63.8 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.2 | 174.6 | -56.3 | 169.4 | 0 | 0 | 0 | 106.4 | W459 I466 K468 S483 L484 | W459-I478 HydrophobicContact CB-CD1 4.1Å; W459-I478 HydrophobicContact CG-CD1 4.37Å; W459-I478 HydrophobicContact CG-CG1 4.46Å; I466-I478 HydrophobicContact CB-CD1 4.49Å; I466-I478 HydrophobicContact CG2-CD1 4.35Å; I466-I478 HydrophobicContact CG2-CG1 4.49Å; I466-I478 WeakPolarHBondContact O-CD1 3.05Å; K468-I478 HydrophobicContact CG-CD1 4.49Å; I478-S483 WeakPolarHBondContact CA-O 3.44Å; I478-L484 HydrophobicContact CG1-CD1 4.49Å |
| 479 | E | 72.9 | Confident | 69.5 | Low | 51 Ų | 51 | 56.8 Ų | 56.8 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | trans | -73.1 | 168.4 | -175.7 | -67 | 175.8 | 132.5 | 0 | 0 | 111.9 | R425 D481 G482 S483 L485 | R425-E479 IonicContact CZ-OE1 3.86Å; R425-E479 IonicContact CZ-OE2 3.81Å; R425-E479 IonicContact NE-OE1 3.86Å; R425-E479 PolarHBondContact NE-OE1 3.23Å; R425-E479 IonicContact NE-OE2 2.7Å; R425-E479 PolarHBondContact NE-OE2 2.89Å; R425-E479 IonicContact NH2-OE1 2.67Å; R425-E479 IonicContact NH2-OE2 3.75Å; R425-E479 PolarHBondContact NH2-OE2 3.13Å; E479-D481 PolarHBondContact O-N 3.3Å; E479-G482 PolarHBondContact O-N 3.47Å; E479-S483 PolarHBondContact N-O 3.09Å; E479-S483 WeakPolarHBondContact OE2-CB 3.4Å; E479-L485 HydrophobicContact CG-CB 4.03Å; E479-L485 HydrophobicContact CG-CD2 4.44Å | ||
| 480 | A | 70.2 | Confident | 70.4 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 98% | 0.975 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G482 | A480-G482 VanDerWaalsContact C-N 3.28Š|
| 481 | D | 67.8 | Low | 71.6 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.3 | 174.2 | 66.9 | 11.4 | 0 | 0 | 0 | 113.7 | R425 E479 S483 | R425-D481 IonicContact CZ-OD2 2.73Å; R425-D481 IonicContact NH2-OD1 2.98Å; R425-D481 IonicContact NH2-OD2 3.3Å; R425-D481 PolarHBondContact NH2-OD2 2.95Å; E479-D481 PolarHBondContact O-N 3.3Å; D481-S483 VanDerWaalsContact CG-OG 3.26Å; D481-S483 WeakPolarHBondContact OD1-CB 3.46Å; D481-S483 PolarHBondContact OD1-N 2.76Å; D481-S483 PolarHBondContact OD1-OG 3.06Å; D481-S483 PolarHBondContact OD2-OG 3.08Å |
| 482 | G | 72.9 | Confident | 72.5 | Confident | 8 Ų | 8 | 64 Ų | 64 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 87.7 | -0.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | W459 E479 A480 | W459-G482 PolarHBondContact NE1-O 3.26Å; E479-G482 PolarHBondContact O-N 3.47Å; A480-G482 VanDerWaalsContact C-N 3.28Å |
| 483 | S | 76.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -68.1 | 153.2 | 176 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | V426 L427 I478 E479 D481 Y531 | V426-S483 WeakPolarHBondContact O-CA 3.37Å; V426-S483 WeakPolarHBondContact O-CB 3.46Å; L427-S483 WeakPolarHBondContact CD2-OG 3.28Å; I478-S483 WeakPolarHBondContact CA-O 3.44Å; E479-S483 PolarHBondContact N-O 3.09Å; E479-S483 WeakPolarHBondContact OE2-CB 3.4Å; D481-S483 VanDerWaalsContact CG-OG 3.26Å; D481-S483 WeakPolarHBondContact OD1-CB 3.46Å; D481-S483 PolarHBondContact OD1-N 2.76Å; D481-S483 PolarHBondContact OD1-OG 3.06Å; D481-S483 PolarHBondContact OD2-OG 3.08Å; S483-Y531 PolarHBondContact OG-OH 3.48Å | ||
| 484 | L | 81 | Confident | 74.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.8 | 173.9 | -175.8 | 69.7 | 0 | 0 | 0 | 109.9 | R425 V426 W459 I466 I476 I478 I486 Y497 | R425-L484 WeakPolarHBondContact CA-O 3.4Å; V426-L484 HydrophobicContact CB-CB 4.43Å; V426-L484 PolarHBondContact N-O 3.22Å; V426-L484 PolarHBondContact O-N 2.76Å; W459-L484 HydrophobicContact CD2-CB 4.01Å; W459-L484 HydrophobicContact CD2-CD1 4.44Å; W459-L484 HydrophobicContact CD2-CD2 4.38Å; W459-L484 HydrophobicContact CE3-CB 4.42Å; W459-L484 HydrophobicContact CE3-CD2 4.13Å; W459-L484 HydrophobicContact CG-CD1 4.3Å; W459-L484 HydrophobicContact CH2-CB 4.14Å; W459-L484 HydrophobicContact CZ2-CB 3.71Å; W459-L484 HydrophobicContact CZ3-CB 4.49Å; W459-L484 HydrophobicContact CZ3-CD2 4.27Å; I466-L484 HydrophobicContact CD1-CD1 3.84Å; I466-L484 HydrophobicContact CD1-CD2 4.49Å; I476-L484 HydrophobicContact CG2-CD1 3.84Å; I478-L484 HydrophobicContact CG1-CD1 4.49Å; L484-I486 HydrophobicContact CD2-CD1 4.27Å; L484-I486 HydrophobicContact CD2-CG1 4.45Å; L484-I486 HydrophobicContact CG-CG1 4.33Å; L484-Y497 HydrophobicContact CD2-CD1 3.48Å; L484-Y497 VanDerWaalsContact CD2-CD1 3.48Å; L484-Y497 HydrophobicContact CD2-CE1 3.86Å; L484-Y497 HydrophobicContact CD2-CG 4.22Å |
| 485 | L | 79.5 | Confident | 74.8 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.4 | 175.7 | 179.2 | 67.9 | 0 | 0 | 0 | 110.3 | A423 R425 I476 S477 E479 | A423-L485 HydrophobicContact CB-CD1 4.26Å; R425-L485 HydrophobicContact CB-CD1 4.31Å; R425-L485 HydrophobicContact CG-CD1 4.49Å; I476-L485 WeakPolarHBondContact CA-O 3.33Å; S477-L485 PolarHBondContact N-O 2.83Å; S477-L485 PolarHBondContact O-N 3.17Å; E479-L485 HydrophobicContact CG-CB 4.03Å; E479-L485 HydrophobicContact CG-CD2 4.44Å |
| 486 | I | 80 | Confident | 75.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.8 | 175 | -52.8 | 175.2 | 0 | 0 | 0 | 108.5 | A423 V424 R475 I476 L484 F489 Y497 I516 | A423-I486 WeakPolarHBondContact CA-O 3.36Å; V424-I486 HydrophobicContact CB-CB 4.43Å; V424-I486 PolarHBondContact N-O 3.38Å; V424-I486 PolarHBondContact O-N 2.87Å; R475-I486 CarbonylContact O-C 3.6Å; R475-I486 WeakPolarHBondContact O-CA 3.47Å; I476-I486 HydrophobicContact CG1-CG1 4.29Å; I476-I486 HydrophobicContact CG1-CG2 4.18Å; I476-I486 HydrophobicContact CG2-CG1 4.42Å; L484-I486 HydrophobicContact CD2-CD1 4.27Å; L484-I486 HydrophobicContact CD2-CG1 4.45Å; L484-I486 HydrophobicContact CG-CG1 4.33Å; I486-F489 HydrophobicContact CB-CD2 4.33Å; I486-F489 HydrophobicContact CD1-CD2 4.22Å; I486-F489 HydrophobicContact CD1-CE2 4.39Å; I486-F489 HydrophobicContact CG2-CB 4.28Å; I486-F489 HydrophobicContact CG2-CD2 3.94Å; I486-Y497 HydrophobicContact CD1-CE1 4.14Å; I486-I516 HydrophobicContact CD1-CD1 4.16Å |
| 487 | Y | 74.9 | Confident | 75.4 | Confident | 123 Ų | 123 | 51.5 Ų | 51.5 | 48% | 0.482 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -148.2 | 122.4 | -178.8 | 175.7 | -107.6 | 0 | 0 | 0 | 112.9 | P421 A423 R475 | P421-Y487 HydrophobicContact CB-CE2 3.76Å; P421-Y487 HydrophobicContact CG-CE2 4.12Å; P421-Y487 WeakPolarHBondContact O-CE2 3.32Å; A423-Y487 HydrophobicContact CB-CD2 3.68Å; A423-Y487 HydrophobicContact CB-CG 4.23Å; R475-Y487 WeakPolarHBondContact CA-O 3.22Å; R475-Y487 WeakPolarHBondContact CG-O 3.38Å; R475-Y487 PolarHBondContact O-N 3.42Å |
| 488 | P | 70.6 | Confident | 75.8 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | S | Bend | cis | -65.8 | 145.3 | -17.8 | 26.8 | -35.2 | 0 | 0 | 0 | 112.3 | P421 R475 | P421-P488 HydrophobicContact CB-CB 3.73Å; R475-P488 PolarHBondContact NH1-O 3.16Å |
| 489 | F | 74 | Confident | 76.2 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | trans | -69.5 | 139.5 | 163.2 | -171.9 | -93 | 0 | 0 | 0 | 111 | I413 T422 V424 I486 D493 I516 L518 | I413-F489 HydrophobicContact CD1-CD1 3.86Å; I413-F489 HydrophobicContact CD1-CD2 3.97Å; I413-F489 HydrophobicContact CD1-CE1 3.51Å; I413-F489 HydrophobicContact CD1-CE2 3.63Å; I413-F489 HydrophobicContact CD1-CG 4.09Å; I413-F489 HydrophobicContact CD1-CZ 3.4Å; T422-F489 PolarHBondContact O-N 2.71Å; V424-F489 HydrophobicContact CB-CB 4.29Å; V424-F489 HydrophobicContact CB-CD2 4.05Å; V424-F489 HydrophobicContact CB-CG 4.38Å; V424-F489 HydrophobicContact CG1-CD2 4.47Å; V424-F489 HydrophobicContact CG2-CB 3.59Å; V424-F489 HydrophobicContact CG2-CD1 4.39Å; V424-F489 HydrophobicContact CG2-CD2 3.75Å; V424-F489 HydrophobicContact CG2-CG 3.65Å; I486-F489 HydrophobicContact CB-CD2 4.33Å; I486-F489 HydrophobicContact CD1-CD2 4.22Å; I486-F489 HydrophobicContact CD1-CE2 4.39Å; I486-F489 HydrophobicContact CG2-CB 4.28Å; I486-F489 HydrophobicContact CG2-CD2 3.94Å; F489-D493 WeakPolarHBondContact CA-OD2 3.46Å; F489-D493 HydrophobicContact CD2-CB 3.78Å; F489-D493 HydrophobicContact CE2-CB 3.42Å; F489-D493 VanDerWaalsContact CE2-CB 3.42Å; F489-D493 HydrophobicContact CZ-CB 3.9Å; F489-I516 HydrophobicContact CE2-CG2 3.7Å; F489-I516 HydrophobicContact CZ-CG2 3.74Å; F489-L518 HydrophobicContact CD1-CD2 4.5Å; F489-L518 HydrophobicContact CE1-CD1 4.19Å; F489-L518 HydrophobicContact CE1-CD2 3.97Å; F489-L518 HydrophobicContact CE1-CG 4Å | ||
| 490 | R | 73.3 | Confident | 76.5 | Confident | 131 Ų | 131 | 47 Ų | 47 | 49% | 0.494 | 26% | 0.26 | S | S | . | . | trans | -127.6 | 155.2 | -177.6 | -60.9 | 177.8 | 176.5 | -177.9 | -2.3 | 109.3 | H492 D493 | R490-H492 PolarHBondContact O-N 3.02Å; R490-H492 VanDerWaalsContact O-N 3.13Å; R490-D493 PolarHBondContact N-OD2 3.24Å; R490-D493 VanDerWaalsContact O-CB 3.3Å; R490-D493 WeakPolarHBondContact O-CB 3.49Å; R490-D493 PolarHBondContact O-N 3.12Å | ||
| 491 | P | 70.9 | Confident | 76.8 | Confident | 90 Ų | 90 | 41.6 Ų | 41.6 | 58% | 0.584 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -54.1 | -34 | 174.7 | -27.8 | 36.3 | 0 | 0 | 0 | 113.8 | D493 S494 L518 | P491-D493 PolarHBondContact O-N 3.48Å; P491-S494 PolarHBondContact O-N 3.01Å; P491-S494 PolarHBondContact O-OG 2.97Å; P491-L518 HydrophobicContact CB-CD1 4.47Å |
| 492 | H | 73.6 | Confident | 77.1 | Confident | 176 Ų | 176 | 40.9 Ų | 40.9 | 82% | 0.815 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -70.9 | -5 | 176.2 | -53.9 | -59.2 | 0 | 0 | 0 | 114.9 | R490 S494 | R490-H492 PolarHBondContact O-N 3.02Å; R490-H492 VanDerWaalsContact O-N 3.13Å; H492-S494 VanDerWaalsContact C-N 3.34Å |
| 493 | D | 76.7 | Confident | 76.8 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -87.5 | -3.8 | 172.6 | -58 | -37.4 | 0 | 0 | 0 | 112.6 | R475 F489 R490 P491 G495 Y497 | R475-D493 IonicContact CZ-OD1 2.77Å; R475-D493 VanDerWaalsContact CZ-OD1 3.3Å; R475-D493 IonicContact CZ-OD2 3.67Å; R475-D493 VanDerWaalsContact NH1-CG 3.26Å; R475-D493 IonicContact NH1-OD1 3.7Å; R475-D493 PolarHBondContact NH1-OD1 2.64Å; R475-D493 IonicContact NH1-OD2 3.8Å; R475-D493 PolarHBondContact NH1-OD2 2.96Å; R475-D493 IonicContact NH2-OD1 3.57Å; R475-D493 PolarHBondContact NH2-OD1 3.45Å; R475-D493 IonicContact NH2-OD2 2.77Å; F489-D493 WeakPolarHBondContact CA-OD2 3.46Å; F489-D493 HydrophobicContact CD2-CB 3.78Å; F489-D493 HydrophobicContact CE2-CB 3.42Å; F489-D493 VanDerWaalsContact CE2-CB 3.42Å; F489-D493 HydrophobicContact CZ-CB 3.9Å; R490-D493 PolarHBondContact N-OD2 3.24Å; R490-D493 VanDerWaalsContact O-CB 3.3Å; R490-D493 WeakPolarHBondContact O-CB 3.49Å; R490-D493 PolarHBondContact O-N 3.12Å; P491-D493 PolarHBondContact O-N 3.48Å; D493-G495 PolarHBondContact O-N 3.29Å; D493-Y497 VanDerWaalsContact O-CE2 3.26Å; D493-Y497 WeakPolarHBondContact O-CE2 3.43Å; D493-Y497 PolarHBondContact O-OH 2.88Å |
| 494 | S | 74.9 | Confident | 76.1 | Confident | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 23% | 0.226 | S | C | . | . | trans | -65.8 | 121.9 | 171.8 | 65.3 | 0 | 0 | 0 | 0 | 110 | P491 H492 I516 | P491-S494 PolarHBondContact O-N 3.01Å; P491-S494 PolarHBondContact O-OG 2.97Å; H492-S494 VanDerWaalsContact C-N 3.34Å; S494-I516 VanDerWaalsContact CA-O 3.3Å; S494-I516 WeakPolarHBondContact CA-O 3.45Å; S494-I516 WeakPolarHBondContact CB-O 3.12Å | ||
| 495 | G | 77.1 | Confident | 74.9 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D493 Y497 T515 I516 | D493-G495 PolarHBondContact O-N 3.29Å; G495-Y497 WeakPolarHBondContact O-CD2 3.32Å; G495-T515 WeakPolarHBondContact O-CA 3.28Å; G495-I516 PolarHBondContact O-N 2.94Å |
| 496 | N | 81.8 | Confident | 73.9 | Confident | 80 Ų | 80 | 47.3 Ų | 47.3 | 43% | 0.428 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 108.9 | 176.8 | -73.3 | -29 | 0 | 0 | 0 | 109.6 | N462 T515 | N462-N496 PolarHBondContact N-O 2.03Å; N462-N496 PolarHBondContact OD1-N 3.09Å; N496-T515 WeakPolarHBondContact OD1-CB 3.42Å; N496-T515 WeakPolarHBondContact OD1-CG2 3.17Å; N496-T515 PolarHBondContact OD1-OG1 2.69Å |
| 497 | Y | 84.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.1 | 173.8 | -66.8 | -100.2 | 0 | 0 | 0 | 109.4 | L460 N461 I466 L484 I486 D493 G495 S513 F514 I516 | L460-Y497 WeakPolarHBondContact O-CA 3.41Å; N461-Y497 HydrophobicContact CB-CD1 4.2Å; N461-Y497 HydrophobicContact CB-CE1 4.02Å; I466-Y497 HydrophobicContact CD1-CD1 4.03Å; I466-Y497 HydrophobicContact CD1-CE1 4.08Å; L484-Y497 HydrophobicContact CD2-CD1 3.48Å; L484-Y497 VanDerWaalsContact CD2-CD1 3.48Å; L484-Y497 HydrophobicContact CD2-CE1 3.86Å; L484-Y497 HydrophobicContact CD2-CG 4.22Å; I486-Y497 HydrophobicContact CD1-CE1 4.14Å; D493-Y497 VanDerWaalsContact O-CE2 3.26Å; D493-Y497 WeakPolarHBondContact O-CE2 3.43Å; D493-Y497 PolarHBondContact O-OH 2.88Å; G495-Y497 WeakPolarHBondContact O-CD2 3.32Å; Y497-S513 CarbonylContact O-C 3.57Å; Y497-S513 WeakPolarHBondContact O-CA 3.26Å; Y497-F514 HydrophobicContact CG-CE2 4.46Å; Y497-F514 PolarHBondContact N-O 3.34Å; Y497-F514 PolarHBondContact O-N 2.93Å; Y497-I516 HydrophobicContact CD2-CB 4.24Å; Y497-I516 HydrophobicContact CD2-CD1 3.49Å; Y497-I516 VanDerWaalsContact CD2-CD1 3.49Å; Y497-I516 HydrophobicContact CD2-CG1 3.63Å; Y497-I516 HydrophobicContact CE2-CB 4.23Å; Y497-I516 HydrophobicContact CE2-CD1 3.6Å; Y497-I516 HydrophobicContact CE2-CG1 3.98Å; Y497-I516 HydrophobicContact CG-CD1 4.07Å; Y497-I516 HydrophobicContact CG-CG1 4.44Å |
| 498 | T | 82.8 | Confident | 72.5 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 117.8 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | L460 Q511 Y512 S513 | L460-T498 HydrophobicContact CD1-CG2 4.46Å; L460-T498 PolarHBondContact N-O 3.33Å; L460-T498 PolarHBondContact O-N 2.9Å; T498-Q511 HydrophobicContact CG2-CB 3.7Å; T498-Q511 HydrophobicContact CG2-CG 3.88Å; T498-Y512 WeakPolarHBondContact CA-O 3.32Å; T498-S513 WeakPolarHBondContact CG2-OG 3.4Å; T498-S513 PolarHBondContact OG1-OG 2.65Å |
| 499 | C | 84.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.5 | 163.8 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | C428 W459 Q511 Y512 | C428-C499 HydrophobicContact CB-CB 3.86Å; C428-C499 WeakPolarHBondContact CB-SG 3.45Å; C428-C499 WeakPolarHBondContact SG-CB 3.48Å; C428-C499 CovalentContact SG-SG 2.03Å; C428-C499 PolarHBondContact SG-SG 2.92Å; W459-C499 HydrophobicContact CD2-CB 4.38Å; W459-C499 HydrophobicContact CE3-CB 4.08Å; W459-C499 HydrophobicContact CH2-CB 3.7Å; W459-C499 HydrophobicContact CZ2-CB 4Å; W459-C499 HydrophobicContact CZ3-CB 3.72Å; C499-Q511 CarbonylContact O-C 3.58Å; C499-Q511 WeakPolarHBondContact O-CA 3.49Å; C499-Y512 PolarHBondContact N-O 3.35Å; C499-Y512 PolarHBondContact O-N 2.82Å |
| 500 | S | 80.2 | Confident | 72.2 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.8 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | I458 A510 | I458-S500 PolarHBondContact N-O 3.35Å; I458-S500 PolarHBondContact O-N 2.87Å; S500-A510 CarbonylContact C-O 3.53Å; S500-A510 WeakPolarHBondContact CA-O 3.37Å |
| 501 | V | 76.9 | Confident | 72.4 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.4 | -179.1 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | V405 I457 F509 A510 | V405-V501 HydrophobicContact CB-CG2 4.27Å; V405-V501 HydrophobicContact CG1-CG2 4.07Å; V405-V501 HydrophobicContact CG2-CG2 3.98Å; I457-V501 HydrophobicContact CG1-CG2 4.24Å; V501-F509 WeakPolarHBondContact O-CA 3.46Å; V501-A510 PolarHBondContact N-O 3.2Å; V501-A510 PolarHBondContact O-N 3.16Å |
| 502 | Y | 73.2 | Confident | 72.7 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.8 | 173.9 | 176.7 | -113.1 | 0 | 0 | 0 | 110.8 | S455 H456 K504 H507 F509 | S455-Y502 CarbonylContact C-O 3.59Å; S455-Y502 WeakPolarHBondContact CA-O 3.5Å; H456-Y502 PolarHBondContact N-O 2.97Å; H456-Y502 PolarHBondContact O-N 3.14Å; Y502-K504 HydrophobicContact CE1-CG 4.04Å; Y502-H507 PolarHBondContact OH-ND1 3.5Å; Y502-H507 VanDerWaalsContact OH-ND1 3.12Å; Y502-F509 AromaticContact CD2-CD1 3.95Å; Y502-F509 HydrophobicContact CD2-CD1 3.95Å; Y502-F509 AromaticContact CD2-CD2 3.97Å; Y502-F509 HydrophobicContact CD2-CD2 3.97Å; Y502-F509 AromaticContact CD2-CE1 3.61Å; Y502-F509 HydrophobicContact CD2-CE1 3.61Å; Y502-F509 AromaticContact CD2-CE2 3.63Å; Y502-F509 HydrophobicContact CD2-CE2 3.63Å; Y502-F509 HydrophobicContact CD2-CG 4.12Å; Y502-F509 AromaticContact CD2-CZ 3.44Å; Y502-F509 HydrophobicContact CD2-CZ 3.44Å; Y502-F509 VanDerWaalsContact CD2-CZ 3.44Å; Y502-F509 HydrophobicContact CE2-CD2 4.49Å; Y502-F509 AromaticContact CE2-CE2 3.94Å; Y502-F509 HydrophobicContact CE2-CE2 3.94Å; Y502-F509 AromaticContact CE2-CZ 3.99Å; Y502-F509 HydrophobicContact CE2-CZ 3.99Å; Y502-F509 HydrophobicContact CG-CD1 4.31Å; Y502-F509 AromaticContact CG-CE1 3.88Å; Y502-F509 HydrophobicContact CG-CE1 3.88Å; Y502-F509 HydrophobicContact CG-CZ 4.05Å |
| 503 | R | 66.8 | Low | 72.8 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 11% | 0.109 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.6 | 177.7 | -166.6 | 177.9 | -167.6 | 170.9 | 4.7 | 110.7 | D433 V505 S506 H507 R508 | D433-R503 IonicContact OD1-NH1 2.72Å; D433-R503 IonicContact OD1-NH2 3.76Å; D433-R503 IonicContact OD2-CZ 3.07Å; D433-R503 IonicContact OD2-NH1 3.6Å; D433-R503 PolarHBondContact OD2-NH1 2.97Å; D433-R503 IonicContact OD2-NH2 2.74Å; D433-R503 PolarHBondContact OD2-NH2 3.48Å; R503-V505 HydrophobicContact CG-CB 4.41Å; R503-V505 PolarHBondContact O-N 3.44Å; R503-V505 VanDerWaalsContact O-N 3.17Å; R503-S506 PolarHBondContact O-N 2.78Å; R503-H507 WeakPolarHBondContact O-CA 3.34Å; R503-H507 PolarHBondContact O-N 3.4Å; R503-R508 PolarHBondContact N-O 3.24Å; R503-R508 VanDerWaalsContact N-O 3.12Å |
| 504 | K | 61.8 | Low | 72.7 | Confident | 86 Ų | 86 | 38.2 Ų | 38.2 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.4 | -178.6 | -64.3 | 176.3 | -175.8 | 164.7 | 0 | 113.1 | A453 R454 Y502 | A453-K504 PolarHBondContact O-NZ 3.03Å; R454-K504 WeakPolarHBondContact O-CB 3.48Å; R454-K504 PolarHBondContact O-N 3.14Å; Y502-K504 HydrophobicContact CE1-CG 4.04Å |
| 505 | V | 55.4 | Low | 72.9 | Confident | 60 Ų | 60 | 38 Ų | 38 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -35.2 | -173.8 | -176.1 | 0 | 0 | 0 | 0 | 113 | R454 R503 | R454-V505 HydrophobicContact CB-CG2 4.12Å; R454-V505 HydrophobicContact CG-CG2 4.25Å; R503-V505 HydrophobicContact CG-CB 4.41Å; R503-V505 PolarHBondContact O-N 3.44Å; R503-V505 VanDerWaalsContact O-N 3.17Å |
| 506 | S | 58.6 | Low | 72.9 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -6.5 | 178 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | I401 R503 R508 | I401-S506 VanDerWaalsContact O-CB 3.28Å; I401-S506 WeakPolarHBondContact O-CB 3.39Å; I401-S506 PolarHBondContact O-OG 3.21Å; R503-S506 PolarHBondContact O-N 2.78Å; S506-R508 WeakPolarHBondContact O-CG 3.28Å; S506-R508 PolarHBondContact O-N 2.04Å; S506-R508 VanDerWaalsContact O-N 3.17Å |
| 507 | H | 63.2 | Low | 72.3 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 20 | -171.6 | -60.1 | -73.4 | 0 | 0 | 0 | 114.6 | Y502 R503 F586 | Y502-H507 PolarHBondContact OH-ND1 3.5Å; Y502-H507 VanDerWaalsContact OH-ND1 3.12Å; R503-H507 WeakPolarHBondContact O-CA 3.34Å; R503-H507 PolarHBondContact O-N 3.4Å; H507-F586 AromaticContact CE1-CE2 3.7Å; H507-F586 AromaticContact CE1-CZ 3.85Å |
| 508 | R | 62.9 | Low | 71.4 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 151 | -179.1 | -56.1 | -156.6 | -175.2 | -161.4 | 7.1 | 112 | R503 S506 D615 | R503-R508 PolarHBondContact N-O 3.24Å; R503-R508 VanDerWaalsContact N-O 3.12Å; S506-R508 WeakPolarHBondContact O-CG 3.28Å; S506-R508 PolarHBondContact O-N 2.04Å; S506-R508 VanDerWaalsContact O-N 3.17Å; R508-D615 WeakPolarHBondContact CD-OD1 3.3Å; R508-D615 WeakPolarHBondContact CD-OD2 3.19Å; R508-D615 IonicContact CZ-OD1 3.15Å; R508-D615 IonicContact NE-OD2 3.46Å; R508-D615 IonicContact NH1-OD1 2.72Å; R508-D615 PolarHBondContact NH1-OD1 3.21Å; R508-D615 IonicContact NH1-OD2 3.56Å |
| 509 | F | 68.4 | Low | 70.4 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 18% | 0.18 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.4 | 170.4 | -66.1 | -95.7 | 0 | 0 | 0 | 109.4 | I458 V501 Y502 F612 L614 D615 | I458-F509 HydrophobicContact CD1-CE1 4.36Å; V501-F509 WeakPolarHBondContact O-CA 3.46Å; Y502-F509 AromaticContact CD2-CD1 3.95Å; Y502-F509 HydrophobicContact CD2-CD1 3.95Å; Y502-F509 AromaticContact CD2-CD2 3.97Å; Y502-F509 HydrophobicContact CD2-CD2 3.97Å; Y502-F509 AromaticContact CD2-CE1 3.61Å; Y502-F509 HydrophobicContact CD2-CE1 3.61Å; Y502-F509 AromaticContact CD2-CE2 3.63Å; Y502-F509 HydrophobicContact CD2-CE2 3.63Å; Y502-F509 HydrophobicContact CD2-CG 4.12Å; Y502-F509 AromaticContact CD2-CZ 3.44Å; Y502-F509 HydrophobicContact CD2-CZ 3.44Å; Y502-F509 VanDerWaalsContact CD2-CZ 3.44Å; Y502-F509 HydrophobicContact CE2-CD2 4.49Å; Y502-F509 AromaticContact CE2-CE2 3.94Å; Y502-F509 HydrophobicContact CE2-CE2 3.94Å; Y502-F509 AromaticContact CE2-CZ 3.99Å; Y502-F509 HydrophobicContact CE2-CZ 3.99Å; Y502-F509 HydrophobicContact CG-CD1 4.31Å; Y502-F509 AromaticContact CG-CE1 3.88Å; Y502-F509 HydrophobicContact CG-CE1 3.88Å; Y502-F509 HydrophobicContact CG-CZ 4.05Å; F509-F612 HydrophobicContact CE2-CB 4.49Å; F509-F612 HydrophobicContact CE2-CD1 4.22Å; F509-L614 HydrophobicContact CB-CD1 3.88Å; F509-D615 PolarHBondContact O-N 2.91Å; F509-D615 VanDerWaalsContact O-N 3.11Å |
| 510 | A | 69.4 | Low | 69.1 | Low | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G403 V405 S500 V501 | G403-A510 WeakPolarHBondContact O-CB 3.23Å; V405-A510 HydrophobicContact CG2-CB 4.05Å; S500-A510 CarbonylContact C-O 3.53Å; S500-A510 WeakPolarHBondContact CA-O 3.37Å; V501-A510 PolarHBondContact N-O 3.2Å; V501-A510 PolarHBondContact O-N 3.16Å |
| 511 | Q | 76.8 | Confident | 67.9 | Low | 85 Ų | 85 | 57.8 Ų | 57.8 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.1 | -179.1 | -75.6 | 176.6 | -1.5 | 0 | 0 | 109.9 | T498 C499 L614 | T498-Q511 HydrophobicContact CG2-CB 3.7Å; T498-Q511 HydrophobicContact CG2-CG 3.88Å; C499-Q511 CarbonylContact O-C 3.58Å; C499-Q511 WeakPolarHBondContact O-CA 3.49Å; Q511-L614 HydrophobicContact CB-CD1 4.34Å; Q511-L614 HydrophobicContact CG-CD1 3.82Å |
| 512 | Y | 76.6 | Confident | 66.6 | Low | 66 Ų | 66 | 63.1 Ų | 63.1 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 105 | 169.4 | -172.6 | -97.9 | 0 | 0 | 0 | 108.7 | V408 T498 C499 F514 M652 | V408-Y512 HydrophobicContact CB-CD1 4.32Å; V408-Y512 HydrophobicContact CB-CE1 4.24Å; V408-Y512 HydrophobicContact CG1-CD1 3.77Å; V408-Y512 HydrophobicContact CG1-CE1 3.73Å; V408-Y512 HydrophobicContact CG2-CD1 4.17Å; T498-Y512 WeakPolarHBondContact CA-O 3.32Å; C499-Y512 PolarHBondContact N-O 3.35Å; C499-Y512 PolarHBondContact O-N 2.82Å; Y512-F514 AromaticContact CD1-CD1 3.87Å; Y512-F514 HydrophobicContact CD1-CD1 3.87Å; Y512-F514 HydrophobicContact CE1-CB 4.44Å; Y512-F514 HydrophobicContact CE1-CD1 4.03Å; Y512-M652 HydrophobicContact CD2-CE 4.21Å; Y512-M652 HydrophobicContact CE2-CE 3.48Å; Y512-M652 VanDerWaalsContact CE2-CE 3.48Å |
| 513 | S | 76.7 | Confident | 65.5 | Low | 72 Ų | 72 | 68.2 Ų | 68.2 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.7 | 180 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | Y497 T498 | Y497-S513 CarbonylContact O-C 3.57Å; Y497-S513 WeakPolarHBondContact O-CA 3.26Å; T498-S513 WeakPolarHBondContact CG2-OG 3.4Å; T498-S513 PolarHBondContact OG1-OG 2.65Å |
| 514 | F | 75.4 | Confident | 64.8 | Low | 12 Ų | 12 | 69.2 Ų | 69.2 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.1 | 175.6 | 57.3 | -94.4 | 0 | 0 | 0 | 111.4 | P411 V426 W459 Y497 Y512 I516 | P411-F514 HydrophobicContact CB-CB 3.86Å; P411-F514 HydrophobicContact CB-CD2 3.45Å; P411-F514 VanDerWaalsContact CB-CD2 3.45Å; P411-F514 HydrophobicContact CB-CE2 4.29Å; P411-F514 HydrophobicContact CB-CG 3.92Å; P411-F514 HydrophobicContact CG-CB 4.06Å; V426-F514 HydrophobicContact CB-CZ 4.29Å; V426-F514 HydrophobicContact CG1-CE1 4.23Å; V426-F514 HydrophobicContact CG1-CE2 3.96Å; V426-F514 HydrophobicContact CG1-CZ 3.55Å; V426-F514 HydrophobicContact CG2-CE2 4.44Å; W459-F514 AromaticContact CH2-CE1 3.69Å; W459-F514 HydrophobicContact CH2-CE1 3.69Å; W459-F514 AromaticContact CH2-CZ 3.59Å; W459-F514 HydrophobicContact CH2-CZ 3.59Å; W459-F514 AromaticContact CZ3-CE1 3.52Å; W459-F514 HydrophobicContact CZ3-CE1 3.52Å; W459-F514 AromaticContact CZ3-CZ 3.39Å; W459-F514 HydrophobicContact CZ3-CZ 3.39Å; Y497-F514 HydrophobicContact CG-CE2 4.46Å; Y497-F514 PolarHBondContact N-O 3.34Å; Y497-F514 PolarHBondContact O-N 2.93Å; Y512-F514 AromaticContact CD1-CD1 3.87Å; Y512-F514 HydrophobicContact CD1-CD1 3.87Å; Y512-F514 HydrophobicContact CE1-CB 4.44Å; Y512-F514 HydrophobicContact CE1-CD1 4.03Å; F514-I516 HydrophobicContact CD2-CG1 3.92Å; F514-I516 HydrophobicContact CE2-CD1 3.99Å; F514-I516 HydrophobicContact CE2-CG1 3.63Å |
| 515 | T | 78.1 | Confident | 64.5 | Low | 54 Ų | 54 | 72.6 Ų | 72.6 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118 | 175.3 | -40 | 0 | 0 | 0 | 0 | 109.9 | G495 N496 N517 | G495-T515 WeakPolarHBondContact O-CA 3.28Å; N496-T515 WeakPolarHBondContact OD1-CB 3.42Å; N496-T515 WeakPolarHBondContact OD1-CG2 3.17Å; N496-T515 PolarHBondContact OD1-OG1 2.69Å; T515-N517 WeakPolarHBondContact CG2-ND2 3.15Å; T515-N517 PolarHBondContact O-N 2.66Å |
| 516 | I | 76.7 | Confident | 64.5 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108 | 170.1 | -59.2 | -176.8 | 0 | 0 | 0 | 107.9 | I413 V426 I486 F489 S494 G495 Y497 F514 | I413-I516 HydrophobicContact CD1-CG2 3.37Å; I413-I516 HydrophobicContact CG1-CG2 4.08Å; V426-I516 HydrophobicContact CG2-CD1 4.13Å; I486-I516 HydrophobicContact CD1-CD1 4.16Å; F489-I516 HydrophobicContact CE2-CG2 3.7Å; F489-I516 HydrophobicContact CZ-CG2 3.74Å; S494-I516 VanDerWaalsContact CA-O 3.3Å; S494-I516 WeakPolarHBondContact CA-O 3.45Å; S494-I516 WeakPolarHBondContact CB-O 3.12Å; G495-I516 PolarHBondContact O-N 2.94Å; Y497-I516 HydrophobicContact CD2-CB 4.24Å; Y497-I516 HydrophobicContact CD2-CD1 3.49Å; Y497-I516 VanDerWaalsContact CD2-CD1 3.49Å; Y497-I516 HydrophobicContact CD2-CG1 3.63Å; Y497-I516 HydrophobicContact CE2-CB 4.23Å; Y497-I516 HydrophobicContact CE2-CD1 3.6Å; Y497-I516 HydrophobicContact CE2-CG1 3.98Å; Y497-I516 HydrophobicContact CG-CD1 4.07Å; Y497-I516 HydrophobicContact CG-CG1 4.44Å; F514-I516 HydrophobicContact CD2-CG1 3.92Å; F514-I516 HydrophobicContact CE2-CD1 3.99Å; F514-I516 HydrophobicContact CE2-CG1 3.63Å |
| 517 | N | 68.8 | Low | 64.6 | Low | 72 Ų | 72 | 77.7 Ų | 77.7 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.7 | -179.9 | -76.4 | -42 | 0 | 0 | 0 | 110.8 | I413 T515 | I413-N517 PolarHBondContact N-O 2.93Å; T515-N517 WeakPolarHBondContact CG2-ND2 3.15Å; T515-N517 PolarHBondContact O-N 2.66Å |
| 518 | L | 65.9 | Low | 64.4 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 38% | 0.377 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.7 | 163.9 | -72.3 | 163.6 | 0 | 0 | 0 | 108.5 | I413 F418 F489 P491 | I413-L518 HydrophobicContact CB-CD2 4.24Å; I413-L518 HydrophobicContact CG2-CD2 3.89Å; F418-L518 HydrophobicContact CE2-CD2 3.94Å; F489-L518 HydrophobicContact CD1-CD2 4.5Å; F489-L518 HydrophobicContact CE1-CD1 4.19Å; F489-L518 HydrophobicContact CE1-CD2 3.97Å; F489-L518 HydrophobicContact CE1-CG 4Å; P491-L518 HydrophobicContact CB-CD1 4.47Å |
| 519 | K | 61.5 | Low | 64.6 | Low | 97 Ų | 97 | 77.3 Ų | 77.3 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.9 | 167.9 | -79 | -174.1 | 171.5 | -178.9 | 0 | 109.6 | Y412 I413 F414 G415 H521 | Y412-K519 HydrophobicContact CD1-CD 4.11Å; I413-K519 PolarHBondContact O-N 3.25Å; F414-K519 HydrophobicContact CD1-CB 4.3Å; F414-K519 HydrophobicContact CE1-CD 4.47Å; G415-K519 PolarHBondContact N-O 3.08Å; K519-H521 PolarHBondContact O-N 3.31Å |
| 520 | E | 58 | Low | 64.5 | Low | 163 Ų | 163 | 78.1 Ų | 78.1 | 76% | 0.762 | 40% | 0.404 | S | S | * | . | trans | -65.6 | 119.9 | 166.9 | -63.5 | -156.9 | 127.6 | 0 | 0 | 109.3 | ||||
| 521 | H | 55.1 | Low | 64.4 | Low | 119 Ų | 119 | 81.8 Ų | 81.8 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | trans | -146.6 | 144.3 | 170.7 | -163.1 | -76 | 0 | 0 | 0 | 107.2 | F414 K519 D523 | F414-H521 HydrophobicContact CD1-CB 4.33Å; K519-H521 PolarHBondContact O-N 3.31Å; H521-D523 PolarHBondContact O-N 2.83Å | ||
| 522 | N | 49.6 | Very low | 64.1 | Low | 115 Ų | 115 | 83 Ų | 83 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -65.8 | 136.4 | 177 | -71.5 | -16.1 | 0 | 0 | 0 | 110.6 | S524 | N522-S524 VanDerWaalsContact C-N 3.33Å; N522-S524 PolarHBondContact O-N 3.33Å |
| 523 | D | 50.6 | Low | 63.9 | Low | 159 Ų | 159 | 82.2 Ų | 82.2 | 85% | 0.85 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 48.4 | 33.6 | 153.5 | -49.8 | -28.2 | 0 | 0 | 0 | 118.8 | H521 | H521-D523 PolarHBondContact O-N 2.83Š|
| 524 | S | 52.5 | Low | 63.7 | Low | 49 Ų | 49 | 79.8 Ų | 79.8 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 123.2 | 165.6 | 42.1 | 0 | 0 | 0 | 0 | 111.3 | F414 N522 | F414-S524 WeakPolarHBondContact CB-OG 3.32Å; N522-S524 VanDerWaalsContact C-N 3.33Å; N522-S524 PolarHBondContact O-N 3.33Å |
| 525 | I | 54.6 | Low | 63.8 | Low | 157 Ų | 157 | 80 Ų | 80 | 81% | 0.805 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 123 | 172.8 | -61.5 | 172.9 | 0 | 0 | 0 | 108.4 | Q527 | I525-Q527 PolarHBondContact O-N 2.97Š|
| 526 | Y | 56.1 | Low | 63.9 | Low | 40 Ų | 40 | 80.3 Ų | 80.3 | 16% | 0.157 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 120.8 | 173.9 | 179.6 | -83.8 | 0 | 0 | 0 | 110.5 | I413 A423 R425 | I413-Y526 HydrophobicContact CG2-CD2 4.34Å; A423-Y526 WeakPolarHBondContact O-CE1 3.08Å; R425-Y526 PolarHBondContact N-OH 3.01Å |
| 527 | Q | 59.6 | Low | 64.1 | Low | 137 Ų | 137 | 83.1 Ų | 83.1 | 64% | 0.64 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -99 | 137.4 | 171.1 | -68.6 | -172.1 | -10 | 0 | 0 | 110.7 | I525 R529 | I525-Q527 PolarHBondContact O-N 2.97Å; Q527-R529 PolarHBondContact O-N 2.95Å |
| 528 | P | 60.1 | Low | 64.8 | Low | 86 Ų | 86 | 80 Ų | 80 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 131.7 | 172.3 | -22.6 | 33.7 | 0 | 0 | 0 | 111.4 | ||
| 529 | R | 65.5 | Low | 65.5 | Low | 24 Ų | 24 | 80.7 Ų | 80.7 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 139.5 | -175.7 | -59.1 | -179.1 | -174.6 | -130.3 | 11.2 | 111.7 | T410 Y412 L427 Q527 F650 | T410-R529 PolarHBondContact O-NH1 2.91Å; T410-R529 PolarHBondContact O-NH2 2.96Å; T410-R529 VanDerWaalsContact O-NH2 3.11Å; T410-R529 PolarHBondContact OG1-NH1 2.93Å; T410-R529 PolarHBondContact OG1-NH2 3.45Å; Y412-R529 PolarHBondContact O-NH2 2.83Å; L427-R529 HydrophobicContact CD1-CB 4.4Å; Q527-R529 PolarHBondContact O-N 2.95Å; R529-F650 PolarHBondContact NH1-O 3.25Å |
| 530 | T | 67 | Low | 66.3 | Low | 57 Ų | 57 | 81.7 Ų | 81.7 | 35% | 0.35 | 44% | 0.436 | S | S | . | . | trans | -118.3 | 152.1 | 177.1 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | L427 S532 Q533 | L427-T530 VanDerWaalsContact CD1-C 3.44Å; T530-S532 PolarHBondContact O-N 2.83Å; T530-S532 VanDerWaalsContact O-N 3.16Å; T530-S532 PolarHBondContact OG1-OG 2.87Å; T530-Q533 PolarHBondContact O-N 2.91Å; T530-Q533 PolarHBondContact OG1-OE1 2.72Å | ||
| 531 | Y | 66.7 | Low | 67.4 | Low | 81 Ų | 81 | 75 Ų | 75 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -58.5 | -28.5 | 177.8 | -83.4 | -79.1 | 0 | 0 | 0 | 112.6 | L427 C428 S483 Q533 L534 | L427-Y531 HydrophobicContact CB-CE1 4.06Å; L427-Y531 HydrophobicContact CB-CE2 4.34Å; L427-Y531 HydrophobicContact CD1-CD1 4.31Å; L427-Y531 HydrophobicContact CD1-CD2 4.16Å; L427-Y531 HydrophobicContact CD1-CE2 4.39Å; L427-Y531 HydrophobicContact CD1-CG 4.11Å; L427-Y531 HydrophobicContact CD2-CD2 4.25Å; L427-Y531 HydrophobicContact CD2-CE2 3.9Å; L427-Y531 HydrophobicContact CG-CE2 4.43Å; C428-Y531 PolarHBondContact N-OH 2.69Å; C428-Y531 PolarHBondContact O-OH 3.09Å; S483-Y531 PolarHBondContact OG-OH 3.48Å; Y531-Q533 PolarHBondContact O-N 3.33Å; Y531-L534 HydrophobicContact CD1-CD1 3.84Å; Y531-L534 HydrophobicContact CE1-CD1 4.25Å; Y531-L534 PolarHBondContact O-N 3.33Å |
| 532 | S | 71 | Confident | 68.6 | Low | 110 Ų | 110 | 76.2 Ų | 76.2 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -67.5 | -9.4 | 175.1 | 45.8 | 0 | 0 | 0 | 0 | 115.4 | T530 | T530-S532 PolarHBondContact O-N 2.83Å; T530-S532 VanDerWaalsContact O-N 3.16Å; T530-S532 PolarHBondContact OG1-OG 2.87Å |
| 533 | Q | 72.1 | Confident | 70 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -95.8 | -11.9 | 173.7 | -67 | 167.5 | -32.2 | 0 | 0 | 112.8 | T530 Y531 N648 F650 | T530-Q533 PolarHBondContact O-N 2.91Å; T530-Q533 PolarHBondContact OG1-OE1 2.72Å; Y531-Q533 PolarHBondContact O-N 3.33Å; Q533-N648 PolarHBondContact O-ND2 2.97Å; Q533-F650 HydrophobicContact CB-CB 4.02Å; Q533-F650 HydrophobicContact CB-CD1 3.94Å; Q533-F650 HydrophobicContact CB-CD2 4.32Å; Q533-F650 HydrophobicContact CB-CG 3.84Å; Q533-F650 HydrophobicContact CG-CD1 4.34Å; Q533-F650 HydrophobicContact CG-CE1 4.47Å; Q533-F650 WeakPolarHBondContact O-CB 3.36Å |
| 534 | L | 73 | Confident | 71.4 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -79.3 | 143.6 | 177.5 | -59.7 | 177.7 | 0 | 0 | 0 | 110.1 | A407 L427 Y531 | A407-L534 HydrophobicContact CB-CB 4.35Å; A407-L534 HydrophobicContact CB-CD1 3.69Å; L427-L534 HydrophobicContact CB-CD1 4.34Å; L427-L534 HydrophobicContact CD1-CD1 4.02Å; L427-L534 HydrophobicContact CD1-CG 4.47Å; Y531-L534 HydrophobicContact CD1-CD1 3.84Å; Y531-L534 HydrophobicContact CE1-CD1 4.25Å; Y531-L534 PolarHBondContact O-N 3.33Å |
| 535 | P | 78.5 | Confident | 72.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 148.7 | -179 | 28.5 | -30.5 | 0 | 0 | 0 | 111.2 | K646 S653 | P535-K646 HydrophobicContact CB-CB 4.19Å; P535-K646 HydrophobicContact CB-CD 4.13Å; P535-K646 HydrophobicContact CB-CG 3.9Å; P535-K646 HydrophobicContact CG-CB 4.37Å; P535-K646 HydrophobicContact CG-CG 4.38Å; P535-K646 WeakPolarHBondContact CG-O 3.33Å; P535-S653 WeakPolarHBondContact O-CA 3.37Å; P535-S653 WeakPolarHBondContact O-CB 3.31Å |
| 536 | S | 78.5 | Confident | 73.2 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 154.4 | 169.7 | 44 | 0 | 0 | 0 | 0 | 111.8 | S653 | S536-S653 VanDerWaalsContact O-CB 3.25Å; S536-S653 WeakPolarHBondContact O-CB 3.24Å |
| 537 | P | 80.7 | Confident | 74 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 146.1 | 165.9 | 27.7 | -34.6 | 0 | 0 | 0 | 110.5 | S654 A656 | P537-S654 WeakPolarHBondContact CB-O 3.38Å; P537-A656 HydrophobicContact CB-CB 4.36Å |
| 538 | P | 84.2 | Confident | 74.9 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 148.2 | 170.1 | -22.1 | 32.9 | 0 | 0 | 0 | 112.4 | V541 W555 Y566 V644 K646 A656 | P538-V541 HydrophobicContact CB-CG2 4.07Å; P538-W555 HydrophobicContact CB-CB 4.39Å; P538-W555 HydrophobicContact CB-CG 4.18Å; P538-Y566 HydrophobicContact CG-CD1 4.06Å; P538-Y566 HydrophobicContact CG-CE1 4.09Å; P538-V644 HydrophobicContact CG-CB 4.44Å; P538-V644 HydrophobicContact CG-CG1 4.01Å; P538-K646 HydrophobicContact CG-CB 4.26Å; P538-A656 HydrophobicContact CB-CB 4.47Å; P538-A656 VanDerWaalsContact O-CB 3.3Å; P538-A656 WeakPolarHBondContact O-CB 3.39Å |
| 539 | E | 81.5 | Confident | 76 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 41% | 0.407 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 155.9 | -177.7 | -68.8 | 175.9 | 179.4 | 0 | 0 | 111.4 | V541 W555 S556 N558 | E539-V541 PolarHBondContact O-N 3.32Å; E539-W555 WeakPolarHBondContact O-CB 3.43Å; E539-S556 WeakPolarHBondContact CB-OG 3.33Å; E539-S556 PolarHBondContact N-O 2.9Å; E539-S556 PolarHBondContact O-N 2.92Å; E539-S556 PolarHBondContact O-OG 2.75Å; E539-N558 PolarHBondContact OE2-ND2 2.85Å |
| 540 | N | 77.4 | Confident | 77 | Confident | 118 Ų | 118 | 57 Ų | 57 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 33.7 | 173 | -58.1 | -51.5 | 0 | 0 | 0 | 115.9 | R542 S556 | N540-R542 WeakPolarHBondContact O-CG 3.44Å; N540-R542 PolarHBondContact O-N 2.94Å; N540-S556 PolarHBondContact ND2-OG 3.45Å |
| 541 | V | 80.9 | Confident | 77.9 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 112.6 | 177 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | P538 E539 N554 W555 V644 A656 V658 | P538-V541 HydrophobicContact CB-CG2 4.07Å; E539-V541 PolarHBondContact O-N 3.32Å; V541-N554 WeakPolarHBondContact CA-O 3.3Å; V541-W555 HydrophobicContact CB-CB 4.37Å; V541-W555 HydrophobicContact CG2-CB 3.81Å; V541-V644 HydrophobicContact CG1-CB 4.47Å; V541-V644 HydrophobicContact CG1-CG2 3.72Å; V541-V644 HydrophobicContact CG2-CB 4.32Å; V541-V644 HydrophobicContact CG2-CG2 4.41Å; V541-A656 HydrophobicContact CB-CB 4.45Å; V541-A656 HydrophobicContact CG2-CB 3.5Å; V541-A656 VanDerWaalsContact CG2-CB 3.5Å; V541-V658 HydrophobicContact CG1-CG2 3.93Å |
| 542 | R | 81.2 | Confident | 78.9 | Confident | 144 Ų | 144 | 51.2 Ų | 51.2 | 54% | 0.543 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158 | -174.1 | 61.9 | -175.9 | 171 | -177.5 | -3 | 111.6 | N540 L553 N554 | N540-R542 WeakPolarHBondContact O-CG 3.44Å; N540-R542 PolarHBondContact O-N 2.94Å; R542-L553 CarbonylContact O-C 3.55Å; R542-L553 WeakPolarHBondContact O-CA 3.14Å; R542-N554 HydrophobicContact CG-CB 4.21Å; R542-N554 WeakPolarHBondContact CG-O 3.47Å; R542-N554 PolarHBondContact N-O 2.93Å; R542-N554 PolarHBondContact NH2-ND2 3.23Å; R542-N554 PolarHBondContact O-N 2.91Å |
| 543 | I | 79.4 | Confident | 79.7 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 138.8 | 172 | -50.3 | 170.2 | 0 | 0 | 0 | 108.1 | V546 I551 V552 L553 V658 Y660 V662 | I543-V546 HydrophobicContact CG2-CG2 3.66Å; I543-I551 HydrophobicContact CG2-CG2 4.14Å; I543-V552 WeakPolarHBondContact CA-O 3.5Å; I543-V552 WeakPolarHBondContact CG2-O 3.49Å; I543-L553 HydrophobicContact CG1-CD2 4.23Å; I543-V658 HydrophobicContact CD1-CG1 4.2Å; I543-V658 HydrophobicContact CG1-CG1 4.25Å; I543-Y660 HydrophobicContact CD1-CD2 4.45Å; I543-Y660 HydrophobicContact CD1-CE2 3.42Å; I543-Y660 VanDerWaalsContact CD1-CE2 3.42Å; I543-Y660 HydrophobicContact CG1-CE2 4.48Å; I543-V662 HydrophobicContact CD1-CB 4.14Å; I543-V662 HydrophobicContact CD1-CG1 3.72Å; I543-V662 HydrophobicContact CD1-CG2 3.39Å; I543-V662 HydrophobicContact CG1-CG2 4.25Å |
| 544 | V | 78.2 | Confident | 80.6 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -42.2 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | V552 N554 | V544-V552 HydrophobicContact CB-CB 4.16Å; V544-V552 HydrophobicContact CB-CG1 3.81Å; V544-V552 HydrophobicContact CG1-CG1 4.47Å; V544-V552 HydrophobicContact CG2-CG1 4.13Å; V544-V552 PolarHBondContact N-O 3.46Å; V544-N554 HydrophobicContact CG2-CB 3.52Å |
| 545 | S | 71.8 | Confident | 81.3 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 159.3 | 179 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | W550 V552 | S545-W550 WeakPolarHBondContact OG-CZ3 3.47Å; S545-V552 PolarHBondContact O-N 2.85Å |
| 546 | V | 74.7 | Confident | 81.6 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.6 | -179.7 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | I543 I551 V662 Y663 V665 | I543-V546 HydrophobicContact CG2-CG2 3.66Å; V546-I551 HydrophobicContact CG1-CG1 4.09Å; V546-I551 HydrophobicContact CG2-CG1 4.43Å; V546-V662 HydrophobicContact CG2-CG1 3.82Å; V546-Y663 WeakPolarHBondContact CG1-O 3.5Å; V546-V665 HydrophobicContact CG1-CG2 4.41Å |
| 547 | G | 73 | Confident | 81.5 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | trans | -125 | -161.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T549 W550 V665 | G547-T549 VanDerWaalsContact C-N 3.32Å; G547-T549 PolarHBondContact O-N 2.88Å; G547-W550 PolarHBondContact N-O 2.97Å; G547-V665 PolarHBondContact O-N 2.9Å | ||
| 548 | D | 77.9 | Confident | 80.9 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -69.1 | -29.7 | -176.8 | 67.2 | -16.1 | 0 | 0 | 0 | 114 | P636 V665 K667 | D548-P636 VanDerWaalsContact O-CA 3.25Å; D548-P636 WeakPolarHBondContact O-CA 3.44Å; D548-P636 WeakPolarHBondContact O-CB 2.99Å; D548-P636 WeakPolarHBondContact O-CG 3.43Å; D548-V665 VanDerWaalsContact CA-O 3.27Å; D548-V665 WeakPolarHBondContact CA-O 3.26Å; D548-K667 HydrophobicContact CB-CB 4.28Å |
| 549 | T | 83.7 | Confident | 79.8 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -137.7 | 10.3 | -170 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | G547 T632 G633 L634 P636 | G547-T549 VanDerWaalsContact C-N 3.32Å; G547-T549 PolarHBondContact O-N 2.88Å; T549-T632 CarbonylContact O-C 3.6Å; T549-G633 PolarHBondContact O-N 2.85Å; T549-L634 WeakPolarHBondContact CA-O 3.47Å; T549-L634 PolarHBondContact O-N 2.91Å; T549-P636 HydrophobicContact CG2-CG 4.18Å |
| 550 | W | 84.9 | Confident | 78.4 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 154.1 | -170.1 | 58.5 | -94.3 | 0 | 0 | 0 | 114 | S545 G547 V552 R630 I631 T632 | S545-W550 WeakPolarHBondContact OG-CZ3 3.47Å; G547-W550 PolarHBondContact N-O 2.97Å; W550-V552 HydrophobicContact CE3-CG2 3.93Å; W550-V552 HydrophobicContact CZ3-CG2 3.77Å; W550-R630 HydrophobicContact CB-CG 4.42Å; W550-R630 VanDerWaalsContact CD1-NH2 3.25Å; W550-R630 HydrophobicContact CE3-CG 4.49Å; W550-R630 VanDerWaalsContact NE1-NH2 3.15Å; W550-I631 CarbonylContact C-O 3.57Å; W550-I631 WeakPolarHBondContact CA-O 3.2Å; W550-I631 WeakPolarHBondContact CB-O 3.48Å; W550-T632 HydrophobicContact CB-CG2 4.03Å |
| 551 | I | 86.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.2 | 176 | -64.5 | 164.6 | 0 | 0 | 0 | 108.4 | I543 V546 L553 R630 I631 L634 V662 | I543-I551 HydrophobicContact CG2-CG2 4.14Å; V546-I551 HydrophobicContact CG1-CG1 4.09Å; V546-I551 HydrophobicContact CG2-CG1 4.43Å; I551-L553 HydrophobicContact CG2-CD2 3.82Å; I551-L553 HydrophobicContact CG2-CG 4.18Å; I551-R630 CarbonylContact O-C 3.57Å; I551-R630 WeakPolarHBondContact O-CA 3.28Å; I551-I631 PolarHBondContact N-O 2.85Å; I551-I631 PolarHBondContact O-N 2.87Å; I551-L634 HydrophobicContact CB-CD1 4.2Å; I551-L634 HydrophobicContact CD1-CD1 3.44Å; I551-L634 VanDerWaalsContact CD1-CD1 3.44Å; I551-L634 HydrophobicContact CG1-CD1 3.58Å; I551-V662 HydrophobicContact CD1-CB 3.8Å; I551-V662 HydrophobicContact CD1-CG1 3.51Å; I551-V662 HydrophobicContact CG1-CG1 3.83Å; I551-V662 HydrophobicContact CG2-CG1 4.25Å |
| 552 | V | 87.1 | Confident | 75.9 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.8 | 170.9 | -177.8 | 0 | 0 | 0 | 0 | 110 | I543 V544 S545 W550 Q628 V629 R630 | I543-V552 WeakPolarHBondContact CA-O 3.5Å; I543-V552 WeakPolarHBondContact CG2-O 3.49Å; V544-V552 HydrophobicContact CB-CB 4.16Å; V544-V552 HydrophobicContact CB-CG1 3.81Å; V544-V552 HydrophobicContact CG1-CG1 4.47Å; V544-V552 HydrophobicContact CG2-CG1 4.13Å; V544-V552 PolarHBondContact N-O 3.46Å; S545-V552 PolarHBondContact O-N 2.85Å; W550-V552 HydrophobicContact CE3-CG2 3.93Å; W550-V552 HydrophobicContact CZ3-CG2 3.77Å; V552-Q628 HydrophobicContact CG1-CG 4.24Å; V552-V629 CarbonylContact C-O 3.6Å; V552-V629 WeakPolarHBondContact CA-O 3.3Å; V552-R630 HydrophobicContact CG2-CB 4.04Å; V552-R630 HydrophobicContact CG2-CG 3.82Å |
| 553 | L | 89.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 152.3 | -177.9 | -57 | 169 | 0 | 0 | 0 | 110.6 | R542 I543 I551 W555 V568 Q628 V629 I631 V642 V658 | R542-L553 CarbonylContact O-C 3.55Å; R542-L553 WeakPolarHBondContact O-CA 3.14Å; I543-L553 HydrophobicContact CG1-CD2 4.23Å; I551-L553 HydrophobicContact CG2-CD2 3.82Å; I551-L553 HydrophobicContact CG2-CG 4.18Å; L553-W555 HydrophobicContact CB-CE3 4.46Å; L553-W555 HydrophobicContact CB-CZ3 4.15Å; L553-V568 HydrophobicContact CD1-CG1 3.89Å; L553-Q628 VanDerWaalsContact O-CA 3.3Å; L553-Q628 WeakPolarHBondContact O-CA 3.47Å; L553-Q628 VanDerWaalsContact O-CG 3.3Å; L553-Q628 WeakPolarHBondContact O-CG 3.45Å; L553-V629 HydrophobicContact CB-CG2 4.07Å; L553-V629 HydrophobicContact CD1-CG2 4.33Å; L553-V629 PolarHBondContact N-O 3.27Å; L553-V629 PolarHBondContact O-N 2.82Å; L553-I631 HydrophobicContact CD1-CD1 3.83Å; L553-I631 HydrophobicContact CD1-CG1 4.35Å; L553-V642 HydrophobicContact CD1-CG1 3.49Å; L553-V642 VanDerWaalsContact CD1-CG1 3.49Å; L553-V642 HydrophobicContact CD2-CG1 3.97Å; L553-V642 HydrophobicContact CG-CG1 4.38Å; L553-V658 HydrophobicContact CD2-CG2 4.5Å |
| 554 | N | 90.1 | Very high | 74.3 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.6 | 174.7 | -172.8 | 4.6 | 0 | 0 | 0 | 109.8 | V541 R542 V544 T627 Q628 | V541-N554 WeakPolarHBondContact CA-O 3.3Å; R542-N554 HydrophobicContact CG-CB 4.21Å; R542-N554 WeakPolarHBondContact CG-O 3.47Å; R542-N554 PolarHBondContact N-O 2.93Å; R542-N554 PolarHBondContact NH2-ND2 3.23Å; R542-N554 PolarHBondContact O-N 2.91Å; V544-N554 HydrophobicContact CG2-CB 3.52Å; N554-T627 CarbonylContact C-O 3.54Å; N554-T627 WeakPolarHBondContact CA-O 3.44Å; N554-Q628 HydrophobicContact CB-CG 4.36Å |
| 555 | W | 88.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 163.8 | 176.9 | 58.1 | 84.1 | 0 | 0 | 0 | 111.8 | P538 E539 V541 L553 Y566 V568 T624 H626 T627 V629 V644 | P538-W555 HydrophobicContact CB-CB 4.39Å; P538-W555 HydrophobicContact CB-CG 4.18Å; E539-W555 WeakPolarHBondContact O-CB 3.43Å; V541-W555 HydrophobicContact CB-CB 4.37Å; V541-W555 HydrophobicContact CG2-CB 3.81Å; L553-W555 HydrophobicContact CB-CE3 4.46Å; L553-W555 HydrophobicContact CB-CZ3 4.15Å; W555-Y566 AromaticContact CD1-CE1 3.96Å; W555-Y566 AromaticContact CE2-CD1 3.97Å; W555-Y566 HydrophobicContact CZ2-CD1 4.05Å; W555-Y566 AromaticContact CZ2-CD2 3.9Å; W555-Y566 HydrophobicContact CZ2-CD2 3.9Å; W555-Y566 HydrophobicContact CZ2-CE2 4.42Å; W555-Y566 AromaticContact CZ2-CG 3.68Å; W555-Y566 HydrophobicContact CZ2-CG 3.68Å; W555-Y566 AromaticContact NE1-CD1 3.54Å; W555-Y566 AromaticContact NE1-CE1 3.21Å; W555-Y566 AromaticContact NE1-CE2 3.76Å; W555-Y566 AromaticContact NE1-CG 3.92Å; W555-Y566 AromaticContact NE1-CZ 3.32Å; W555-Y566 VanDerWaalsContact NE1-CZ 3.32Å; W555-V568 HydrophobicContact CH2-CG2 4.1Å; W555-V568 HydrophobicContact CZ3-CG2 4.41Å; W555-T624 HydrophobicContact CH2-CG2 4.37Å; W555-T624 HydrophobicContact CZ2-CG2 4.34Å; W555-H626 VanDerWaalsContact CZ2-O 3.25Å; W555-H626 WeakPolarHBondContact CZ2-O 3.41Å; W555-T627 VanDerWaalsContact CD2-O 3.23Å; W555-T627 PolarHBondContact N-O 2.89Å; W555-T627 VanDerWaalsContact N-O 3.08Å; W555-T627 WeakPolarHBondContact O-CB 3.26Å; W555-V629 HydrophobicContact CH2-CG1 4.12Å; W555-V629 HydrophobicContact CH2-CG2 3.69Å; W555-V629 HydrophobicContact CZ3-CG2 3.65Å; W555-V644 HydrophobicContact CD2-CG1 4.07Å; W555-V644 HydrophobicContact CE3-CG1 4.03Å; W555-V644 HydrophobicContact CE3-CG2 3.95Å; W555-V644 HydrophobicContact CH2-CG1 3.93Å; W555-V644 HydrophobicContact CZ2-CG1 3.96Å; W555-V644 HydrophobicContact CZ3-CG1 3.95Å; W555-V644 HydrophobicContact CZ3-CG2 3.89Å |
| 556 | S | 83.5 | Confident | 75.5 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 153.9 | 173.5 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | E539 N540 | E539-S556 WeakPolarHBondContact CB-OG 3.33Å; E539-S556 PolarHBondContact N-O 2.9Å; E539-S556 PolarHBondContact O-N 2.92Å; E539-S556 PolarHBondContact O-OG 2.75Å; N540-S556 PolarHBondContact ND2-OG 3.45Å |
| 557 | D | 76.8 | Confident | 76.3 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | trans | -143.2 | 108.5 | 177.4 | -176.1 | 24.2 | 0 | 0 | 0 | 111.2 | S559 Y566 K646 | D557-S559 VanDerWaalsContact C-N 3.34Å; D557-S559 PolarHBondContact O-N 2.96Å; D557-Y566 WeakPolarHBondContact CB-OH 3.33Å; D557-Y566 VanDerWaalsContact CG-OH 3.31Å; D557-Y566 PolarHBondContact OD2-OH 3.2Å; D557-K646 IonicContact OD1-NZ 2.69Å; D557-K646 PolarHBondContact OD1-NZ 3.14Å; D557-K646 IonicContact OD2-NZ 3.67Å; D557-K646 PolarHBondContact OD2-NZ 3.09Å | ||
| 558 | N | 67.7 | Low | 77.1 | Confident | 136 Ų | 136 | 48.8 Ų | 48.8 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | trans | -87 | 9.2 | -172 | -83.1 | -42.2 | 0 | 0 | 0 | 114.5 | E539 | E539-N558 PolarHBondContact OE2-ND2 2.85Š| ||
| 559 | S | 61.8 | Low | 77.6 | Confident | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | trans | -115 | 117 | -178.5 | 79 | 0 | 0 | 0 | 0 | 113.4 | D557 S561 K646 | D557-S559 VanDerWaalsContact C-N 3.34Å; D557-S559 PolarHBondContact O-N 2.96Å; S559-S561 PolarHBondContact O-N 2.71Å; S559-K646 PolarHBondContact OG-NZ 2.95Å | ||
| 560 | S | 51.3 | Low | 77.8 | Confident | 131 Ų | 131 | 46.4 Ų | 46.4 | 92% | 0.916 | 26% | 0.263 | S | S | * | . | trans | -75.7 | 40.2 | 177.4 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 561 | S | 52.9 | Low | 77.7 | Confident | 56 Ų | 56 | 44 Ų | 44 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | trans | -91.4 | 111.6 | -177 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | S559 T564 | S559-S561 PolarHBondContact O-N 2.71Å; S561-T564 PolarHBondContact O-OG1 3.05Å; S561-T564 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 562 | E | 52.4 | Low | 77.5 | Confident | 183 Ų | 183 | 46.5 Ų | 46.5 | 86% | 0.855 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 150.3 | 176.4 | -59.9 | -176.1 | 141.9 | 0 | 0 | 112.4 | ||
| 563 | S | 56.6 | Low | 76.6 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 5.8 | -178.8 | 81.2 | 0 | 0 | 0 | 0 | 118.9 | ||
| 564 | T | 71 | Confident | 75.2 | Confident | 24 Ų | 24 | 53 Ų | 53 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | trans | -76 | 142.1 | 172 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | S561 Y625 K646 V647 N648 | S561-T564 PolarHBondContact O-OG1 3.05Å; S561-T564 WeakPolarHBondContact OG-CG2 3.45Å; T564-Y625 WeakPolarHBondContact O-CD1 3.31Å; T564-K646 VanDerWaalsContact CG2-CE 3.44Å; T564-V647 WeakPolarHBondContact CA-O 3.5Å; T564-N648 HydrophobicContact CG2-CB 4.11Å | ||
| 565 | S | 87.2 | Confident | 73.1 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 164.2 | 174.2 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | K623 T624 K646 V647 | S565-K623 VanDerWaalsContact CB-CE 3.48Å; S565-K623 VanDerWaalsContact OG-CE 3.24Å; S565-K623 WeakPolarHBondContact OG-CE 3.45Å; S565-T624 CarbonylContact C-O 3.56Å; S565-T624 WeakPolarHBondContact CA-O 3.37Å; S565-T624 WeakPolarHBondContact CB-O 3.07Å; S565-K646 CarbonylContact O-C 3.59Å; S565-V647 PolarHBondContact N-O 2.66Å; S565-V647 WeakPolarHBondContact O-CA 3.31Å; S565-V647 WeakPolarHBondContact O-CB 3.23Å; S565-V647 PolarHBondContact O-N 2.69Å |
| 566 | Y | 89.2 | Confident | 70.7 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.4 | -177.4 | -50.1 | -90 | 0 | 0 | 0 | 112.5 | P538 W555 D557 K623 T624 V644 R645 K646 | P538-Y566 HydrophobicContact CG-CD1 4.06Å; P538-Y566 HydrophobicContact CG-CE1 4.09Å; W555-Y566 AromaticContact CD1-CE1 3.96Å; W555-Y566 AromaticContact CE2-CD1 3.97Å; W555-Y566 HydrophobicContact CZ2-CD1 4.05Å; W555-Y566 AromaticContact CZ2-CD2 3.9Å; W555-Y566 HydrophobicContact CZ2-CD2 3.9Å; W555-Y566 HydrophobicContact CZ2-CE2 4.42Å; W555-Y566 AromaticContact CZ2-CG 3.68Å; W555-Y566 HydrophobicContact CZ2-CG 3.68Å; W555-Y566 AromaticContact NE1-CD1 3.54Å; W555-Y566 AromaticContact NE1-CE1 3.21Å; W555-Y566 AromaticContact NE1-CE2 3.76Å; W555-Y566 AromaticContact NE1-CG 3.92Å; W555-Y566 AromaticContact NE1-CZ 3.32Å; W555-Y566 VanDerWaalsContact NE1-CZ 3.32Å; D557-Y566 WeakPolarHBondContact CB-OH 3.33Å; D557-Y566 VanDerWaalsContact CG-OH 3.31Å; D557-Y566 PolarHBondContact OD2-OH 3.2Å; Y566-K623 WeakPolarHBondContact O-CA 3.48Å; Y566-T624 HydrophobicContact CD2-CG2 4.3Å; Y566-T624 PolarHBondContact N-O 3.04Å; Y566-T624 PolarHBondContact O-N 2.87Å; Y566-V644 HydrophobicContact CD1-CG1 4.41Å; Y566-R645 CarbonylContact C-O 3.58Å; Y566-R645 VanDerWaalsContact CA-O 3.27Å; Y566-R645 WeakPolarHBondContact CA-O 3.33Å; Y566-K646 HydrophobicContact CD1-CB 4.26Å; Y566-K646 HydrophobicContact CD1-CG 4.39Å; Y566-K646 HydrophobicContact CE1-CB 4.37Å; Y566-K646 HydrophobicContact CE1-CD 4.24Å; Y566-K646 HydrophobicContact CE1-CG 4.2Å |
| 567 | K | 89.7 | Confident | 68 | Low | 47 Ų | 47 | 67.7 Ų | 67.7 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.4 | 165 | -64.7 | -154.3 | 175.2 | -148.7 | 0 | 109.7 | Y569 I621 E622 R645 V647 | K567-Y569 HydrophobicContact CB-CD2 4.37Å; K567-Y569 HydrophobicContact CB-CE2 3.65Å; K567-Y569 HydrophobicContact CD-CE2 4.47Å; K567-I621 WeakPolarHBondContact CA-O 3.27Å; K567-E622 WeakPolarHBondContact CD-O 3.38Å; K567-E622 WeakPolarHBondContact CE-O 3.32Å; K567-E622 VanDerWaalsContact CG-O 3.3Å; K567-E622 WeakPolarHBondContact CG-O 3.24Å; K567-E622 PolarHBondContact NZ-O 3.2Å; K567-E622 IonicContact NZ-OE1 2.67Å; K567-E622 PolarHBondContact NZ-OE1 2.72Å; K567-R645 PolarHBondContact N-O 2.87Å; K567-R645 PolarHBondContact O-N 2.84Å; K567-V647 HydrophobicContact CG-CG2 3.97Å |
| 568 | V | 90.1 | Very high | 65.7 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.4 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | L553 W555 A620 I621 V629 I631 V642 V644 | L553-V568 HydrophobicContact CD1-CG1 3.89Å; W555-V568 HydrophobicContact CH2-CG2 4.1Å; W555-V568 HydrophobicContact CZ3-CG2 4.41Å; V568-A620 PolarHBondContact O-N 3.06Å; V568-I621 HydrophobicContact CB-CB 4.01Å; V568-I621 HydrophobicContact CB-CG1 4.35Å; V568-I621 HydrophobicContact CG2-CB 4.1Å; V568-I621 HydrophobicContact CG2-CD1 4.23Å; V568-I621 HydrophobicContact CG2-CG1 4.47Å; V568-I621 PolarHBondContact N-O 2.81Å; V568-I621 PolarHBondContact O-N 3.19Å; V568-I621 VanDerWaalsContact O-N 3.13Å; V568-V629 HydrophobicContact CG2-CG2 4.35Å; V568-I631 HydrophobicContact CG1-CD1 3.92Å; V568-V642 HydrophobicContact CG1-CG1 4.22Å; V568-V644 HydrophobicContact CG1-CG2 4.4Å; V568-V644 HydrophobicContact CG2-CG1 4.39Å; V568-V644 HydrophobicContact CG2-CG2 4.35Å |
| 569 | Y | 88.6 | Confident | 63.6 | Low | 28 Ų | 28 | 71.5 Ų | 71.5 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146 | 179.5 | -66.1 | -88.7 | 0 | 0 | 0 | 110.3 | K567 W617 S618 T619 E643 R645 M652 | K567-Y569 HydrophobicContact CB-CD2 4.37Å; K567-Y569 HydrophobicContact CB-CE2 3.65Å; K567-Y569 HydrophobicContact CD-CE2 4.47Å; Y569-W617 HydrophobicContact CD1-CB 4.36Å; Y569-S618 CarbonylContact C-O 3.56Å; Y569-S618 WeakPolarHBondContact CA-O 3.22Å; Y569-T619 HydrophobicContact CD1-CG2 4.43Å; Y569-T619 HydrophobicContact CE1-CG2 4.1Å; Y569-E643 PolarHBondContact N-O 3.15Å; Y569-E643 PolarHBondContact O-N 2.79Å; Y569-R645 HydrophobicContact CD2-CG 4.43Å; Y569-R645 HydrophobicContact CE2-CB 4.44Å; Y569-R645 HydrophobicContact CE2-CG 4.37Å; Y569-M652 HydrophobicContact CE2-SD 4.21Å |
| 570 | I | 88 | Confident | 62.1 | Low | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.082 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.5 | 173 | 63.1 | 178.1 | 0 | 0 | 0 | 111.1 | W617 S618 A620 I631 L634 Y640 W641 V642 | I570-W617 VanDerWaalsContact C-CE3 3.5Å; I570-S618 WeakPolarHBondContact CG1-OG 3.45Å; I570-S618 PolarHBondContact N-O 2.69Å; I570-S618 PolarHBondContact O-N 2.94Å; I570-S618 PolarHBondContact O-OG 2.81Å; I570-A620 HydrophobicContact CD1-CB 4.13Å; I570-A620 HydrophobicContact CG1-CB 4.13Å; I570-A620 HydrophobicContact CG2-CB 3.88Å; I570-I631 HydrophobicContact CG2-CD1 3.83Å; I570-L634 HydrophobicContact CD1-CD2 3.66Å; I570-Y640 HydrophobicContact CB-CD1 4.39Å; I570-Y640 HydrophobicContact CD1-CD1 4.17Å; I570-Y640 HydrophobicContact CD1-CE1 4.27Å; I570-W641 VanDerWaalsContact CA-O 3.24Å; I570-W641 WeakPolarHBondContact CA-O 3.03Å; I570-V642 HydrophobicContact CG2-CG2 4.27Å |
| 571 | L | 83.6 | Confident | 61 | Low | 6 Ų | 6 | 76.7 Ų | 76.7 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 112.6 | 172.8 | 176.8 | 75.3 | 0 | 0 | 0 | 108.8 | P402 D615 T616 W617 W641 | P402-L571 HydrophobicContact CB-CD2 3.66Å; L571-D615 HydrophobicContact CD1-CB 4.37Å; L571-D615 HydrophobicContact CD2-CB 3.9Å; L571-T616 WeakPolarHBondContact CD1-O 3.34Å; L571-W617 HydrophobicContact CB-CD2 3.91Å; L571-W617 HydrophobicContact CB-CE3 3.66Å; L571-W617 HydrophobicContact CB-CH2 4.28Å; L571-W617 HydrophobicContact CB-CZ2 4.49Å; L571-W617 HydrophobicContact CB-CZ3 3.85Å; L571-W617 HydrophobicContact CD2-CZ2 4.45Å; L571-W641 HydrophobicContact CB-CB 4.26Å; L571-W641 PolarHBondContact N-O 3.01Å; L571-W641 PolarHBondContact O-N 2.9Å |
| 572 | P | 80.9 | Confident | 60 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 34% | 0.344 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 145.9 | 178.7 | 27.9 | -34.2 | 0 | 0 | 0 | 111.7 | I574 G639 Y640 | P572-I574 PolarHBondContact O-N 3.21Å; P572-G639 CarbonylContact C-O 3.58Å; P572-G639 WeakPolarHBondContact CA-O 3.36Å; P572-Y640 HydrophobicContact CB-CD1 4.09Å; P572-Y640 HydrophobicContact CB-CE1 3.87Å |
| 573 | Q | 68.8 | Low | 59.2 | Low | 29 Ų | 29 | 74.6 Ų | 74.6 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | trans | -74.6 | 97.1 | 178.6 | -172.7 | -170 | 28.5 | 0 | 0 | 110.9 | Y575 G639 I661 Y663 | Q573-Y575 HydrophobicContact CG-CD2 4.4Å; Q573-Y575 HydrophobicContact CG-CE2 4.3Å; Q573-Y575 PolarHBondContact O-N 3.14Å; Q573-Y575 PolarHBondContact OE1-OH 3.06Å; Q573-G639 WeakPolarHBondContact CB-O 3.41Å; Q573-G639 PolarHBondContact N-O 2.9Å; Q573-I661 HydrophobicContact CB-CD1 4.43Å; Q573-I661 HydrophobicContact CG-CD1 4.15Å; Q573-Y663 VanDerWaalsContact CD-OH 3.24Å; Q573-Y663 PolarHBondContact NE2-OH 2.95Å; Q573-Y663 PolarHBondContact OE1-OH 3.06Å | ||
| 574 | I | 60.3 | Low | 58.2 | Low | 123 Ų | 123 | 78.7 Ų | 78.7 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | trans | -71.5 | 93.1 | 174.8 | -53.1 | 176.1 | 0 | 0 | 0 | 110.1 | P572 S576 | P572-I574 PolarHBondContact O-N 3.21Å; I574-S576 PolarHBondContact O-N 3.26Å | ||
| 575 | Y | 45.7 | Very low | 56.3 | Low | 129 Ų | 129 | 83.6 Ų | 83.6 | 51% | 0.506 | 44% | 0.436 | S | S | . | . | trans | -61.9 | 98.4 | 167.2 | -80.7 | -89.7 | 0 | 0 | 0 | 110.4 | Q573 Q577 | Q573-Y575 HydrophobicContact CG-CD2 4.4Å; Q573-Y575 HydrophobicContact CG-CE2 4.3Å; Q573-Y575 PolarHBondContact O-N 3.14Å; Q573-Y575 PolarHBondContact OE1-OH 3.06Å; Y575-Q577 PolarHBondContact O-N 3.46Å; Y575-Q577 VanDerWaalsContact O-N 3.16Å | ||
| 576 | S | 37.6 | Very low | 53.8 | Low | 68 Ų | 68 | 89.7 Ų | 89.7 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | trans | -78.7 | 95.8 | 166.1 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | I574 T578 K613 | I574-S576 PolarHBondContact O-N 3.26Å; S576-T578 PolarHBondContact O-N 2.75Å; S576-K613 PolarHBondContact OG-NZ 2.8Å | ||
| 577 | Q | 28.1 | Very low | 51.4 | Low | 188 Ų | 188 | 96.7 Ų | 96.7 | 88% | 0.879 | 49% | 0.494 | S | S | * | . | trans | -66.8 | 79.6 | 164.7 | -70.3 | -176.9 | -13.5 | 0 | 0 | 109.7 | Y575 | Y575-Q577 PolarHBondContact O-N 3.46Å; Y575-Q577 VanDerWaalsContact O-N 3.16Å | ||
| 578 | T | 27.7 | Very low | 48.8 | Very low | 112 Ų | 112 | 99.4 Ų | 99.4 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | trans | -163.6 | 94.2 | 170.6 | -3.9 | 0 | 0 | 0 | 0 | 109.3 | S576 V580 | S576-T578 PolarHBondContact O-N 2.75Å; T578-V580 PolarHBondContact O-N 2.91Å | ||
| 579 | T | 25.1 | Very low | 46.2 | Very low | 150 Ų | 150 | 105.2 Ų | 105.2 | 92% | 0.92 | 54% | 0.541 | S | S | * | . | trans | -71.1 | 114.5 | 174.3 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 580 | V | 28.5 | Very low | 43.6 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | trans | -138.7 | 117.9 | 173.9 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | T578 S582 | T578-V580 PolarHBondContact O-N 2.91Å; V580-S582 PolarHBondContact O-N 2.87Å | ||
| 581 | H | 29.3 | Very low | 41.1 | Very low | 193 Ų | 193 | 119.8 Ų | 119.8 | 89% | 0.894 | 61% | 0.607 | S | S | * | * | trans | -56.2 | 135.8 | 170.5 | -76.2 | -79.4 | 0 | 0 | 0 | 110.1 | ||||
| 582 | S | 31.4 | Very low | 38.5 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | trans | -134.5 | -7.9 | -174.8 | 50.4 | 0 | 0 | 0 | 0 | 115.8 | V580 Q584 H585 | V580-S582 PolarHBondContact O-N 2.87Å; S582-Q584 PolarHBondContact O-N 3.18Å; S582-H585 PolarHBondContact O-N 2.72Å; S582-H585 VanDerWaalsContact O-N 3.12Å | ||
| 583 | D | 35.1 | Very low | 36.1 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -8.8 | -173.2 | -57.5 | -63.6 | 0 | 0 | 0 | 114.9 | K399 | K399-D583 IonicContact NZ-OD1 3.37Š|
| 584 | Q | 35.7 | Very low | 34.2 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -27.5 | 168.9 | -75 | 177.1 | -48.1 | 0 | 0 | 113.3 | S582 F586 | S582-Q584 PolarHBondContact O-N 3.18Å; Q584-F586 VanDerWaalsContact C-N 3.34Å; Q584-F586 PolarHBondContact O-N 2.91Å |
| 585 | H | 32.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 59% | 0.588 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -81 | -10.8 | -168.1 | -153.7 | -39.2 | 0 | 0 | 0 | 114 | S582 | S582-H585 PolarHBondContact O-N 2.72Å; S582-H585 VanDerWaalsContact O-N 3.12Å |
| 586 | F | 35 | Very low | 32.1 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 61% | 0.605 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -87.9 | -9.1 | -174.5 | -159 | -102.1 | 0 | 0 | 0 | 114.4 | H507 Q584 | H507-F586 AromaticContact CE1-CE2 3.7Å; H507-F586 AromaticContact CE1-CZ 3.85Å; Q584-F586 VanDerWaalsContact C-N 3.34Å; Q584-F586 PolarHBondContact O-N 2.91Å |
| 587 | Q | 37.6 | Very low | 31.8 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -89.8 | -39.9 | 174.2 | -62.5 | -152.2 | 10.4 | 0 | 0 | 112.7 | L589 K590 | Q587-L589 PolarHBondContact O-N 3.12Å; Q587-K590 WeakPolarHBondContact O-CB 3.28Å; Q587-K590 PolarHBondContact O-N 2.91Å |
| 588 | D | 36.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 55% | 0.551 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -60.7 | -31.8 | -179.4 | -57.9 | -23.6 | 0 | 0 | 0 | 113.2 | K590 Q591 T592 | D588-K590 PolarHBondContact O-N 2.87Å; D588-K590 VanDerWaalsContact O-N 3.1Å; D588-Q591 PolarHBondContact O-N 2.91Å; D588-T592 PolarHBondContact O-OG1 2.89Å |
| 589 | L | 33.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 2.2 | 175.4 | -77.5 | 165.5 | 0 | 0 | 0 | 114.2 | Q587 | Q587-L589 PolarHBondContact O-N 3.12Š|
| 590 | K | 35.8 | Very low | 32.4 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -6.7 | 176.5 | -119.7 | -176.4 | -179.9 | -173.1 | 0 | 114.6 | Q587 D588 | Q587-K590 WeakPolarHBondContact O-CB 3.28Å; Q587-K590 PolarHBondContact O-N 2.91Å; D588-K590 PolarHBondContact O-N 2.87Å; D588-K590 VanDerWaalsContact O-N 3.1Å |
| 591 | Q | 33.7 | Very low | 32.3 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -8 | -177 | -67 | -172.8 | -12 | 0 | 0 | 114.2 | D588 K593 | D588-Q591 PolarHBondContact O-N 2.91Å; Q591-K593 PolarHBondContact O-N 2.83Å |
| 592 | T | 30.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | -94.6 | 62.7 | -171.9 | 33.6 | 0 | 0 | 0 | 0 | 113.6 | D588 | D588-T592 PolarHBondContact O-OG1 2.89Š| ||
| 593 | K | 30 | Very low | 32.2 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -152.4 | 36.4 | 169 | -133.9 | 174.4 | -171.9 | 179.3 | 0 | 117.2 | Q591 | Q591-K593 PolarHBondContact O-N 2.83Š| ||
| 594 | T | 29 | Very low | 31.8 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -135.1 | 53.4 | 176.8 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 595 | A | 32.1 | Very low | 31.3 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -176.3 | 151.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 596 | S | 30.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -154.8 | 159.7 | -17.9 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 597 | D | 29.9 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -66.9 | 165.6 | 166.7 | -72.2 | -73.6 | 0 | 0 | 0 | 112.4 | ||||
| 598 | H | 35 | Very low | 30 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 71.9 | 143.9 | -174.9 | -41.4 | -78.8 | 0 | 0 | 0 | 114 | ||||
| 599 | M | 29.4 | Very low | 29.8 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | cis | -146.9 | 178.1 | 9.4 | -154.4 | 157.6 | 71.5 | 0 | 0 | 111.5 | ||||
| 600 | K | 29 | Very low | 29.7 | Very low | 190 Ų | 190 | 148 Ų | 148 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -89.4 | 151.9 | -174.1 | -68.3 | -178 | 177.9 | 178.1 | 0 | 114.5 | ||||
| 601 | S | 27.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 47.9 | 102.3 | 146.7 | 60.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 602 | G | 27.5 | Very low | 30.2 | Very low | 70 Ų | 70 | 145 Ų | 145 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -160.2 | 148.6 | 158 | 0 | 0 | 0 | 0 | 0 | 108.7 | T604 | G602-T604 PolarHBondContact O-N 2.84Š| ||
| 603 | E | 29.9 | Very low | 31.2 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 128.5 | 178.7 | -68.9 | 175.7 | 103.9 | 0 | 0 | 110.9 | ||||
| 604 | T | 26.7 | Very low | 32.6 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -155.2 | 135.6 | 163.2 | -24 | 0 | 0 | 0 | 0 | 109.8 | G602 M606 | G602-T604 PolarHBondContact O-N 2.84Å; T604-M606 PolarHBondContact O-N 2.77Å | ||
| 605 | Q | 25.4 | Very low | 34.4 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127.8 | 179.5 | -66.6 | 167.7 | -17.8 | 0 | 0 | 109.8 | ||
| 606 | M | 24.8 | Very low | 36.2 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 89% | 0.892 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.2 | 171 | -94.8 | -170.3 | 167.2 | 0 | 0 | 109.8 | T604 S608 | T604-M606 PolarHBondContact O-N 2.77Å; M606-S608 PolarHBondContact O-N 2.81Å |
| 607 | P | 26.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 138.2 | 172.4 | 27.1 | -33.7 | 0 | 0 | 0 | 109.6 | S609 | P607-S609 PolarHBondContact O-N 2.98Š|
| 608 | S | 25.7 | Very low | 41 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | trans | -67.8 | 93.6 | -172.3 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | M606 K610 | M606-S608 PolarHBondContact O-N 2.81Å; S608-K610 PolarHBondContact O-N 2.96Å | ||
| 609 | S | 33.9 | Very low | 43.3 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.9 | 171.4 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | P607 | P607-S609 PolarHBondContact O-N 2.98Š|
| 610 | K | 30.3 | Very low | 46 | Very low | 170 Ų | 170 | 113 Ų | 113 | 74% | 0.739 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.8 | -177.2 | -70.8 | 178 | 178.8 | 173.8 | 0 | 109.7 | S608 | S608-K610 PolarHBondContact O-N 2.96Š|
| 611 | P | 36.8 | Very low | 48.8 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 79% | 0.786 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 136 | -169.9 | 26.1 | -34.9 | 0 | 0 | 0 | 112.3 | K613 | P611-K613 PolarHBondContact O-N 3.02Š|
| 612 | F | 44.2 | Very low | 51.4 | Low | 167 Ų | 167 | 106.1 Ų | 106.1 | 73% | 0.732 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.5 | 169.8 | -57.1 | -84.9 | 0 | 0 | 0 | 109.9 | F509 L614 | F509-F612 HydrophobicContact CE2-CB 4.49Å; F509-F612 HydrophobicContact CE2-CD1 4.22Å; F612-L614 PolarHBondContact O-N 3.06Å; F612-L614 VanDerWaalsContact O-N 3.14Å |
| 613 | K | 51.2 | Low | 54.2 | Low | 99 Ų | 99 | 108.6 Ų | 108.6 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | trans | -73.9 | 103.6 | 171.4 | -74.9 | -168.9 | -179.8 | -177.1 | 0 | 109.9 | S576 P611 | S576-K613 PolarHBondContact OG-NZ 2.8Å; P611-K613 PolarHBondContact O-N 3.02Å | ||
| 614 | L | 57.9 | Low | 56.9 | Low | 68 Ų | 68 | 99.7 Ų | 99.7 | 36% | 0.356 | 54% | 0.541 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 129.2 | 166.7 | -179.7 | 66.4 | 0 | 0 | 0 | 109.2 | F509 Q511 F612 T616 | F509-L614 HydrophobicContact CB-CD1 3.88Å; Q511-L614 HydrophobicContact CB-CD1 4.34Å; Q511-L614 HydrophobicContact CG-CD1 3.82Å; F612-L614 PolarHBondContact O-N 3.06Å; F612-L614 VanDerWaalsContact O-N 3.14Å; L614-T616 HydrophobicContact CD2-CG2 4.15Å; L614-T616 HydrophobicContact CG-CG2 4.27Å; L614-T616 PolarHBondContact O-N 2.76Å |
| 615 | D | 66.7 | Low | 59.7 | Low | 11 Ų | 11 | 100.1 Ų | 100.1 | 6% | 0.059 | 53% | 0.528 | C | S | . | . | trans | -85.9 | 101.7 | 174.5 | -75 | -23.4 | 0 | 0 | 0 | 110.3 | P402 G403 R508 F509 L571 W617 | P402-D615 VanDerWaalsContact CA-OD2 3.24Å; P402-D615 WeakPolarHBondContact CA-OD2 3.21Å; P402-D615 WeakPolarHBondContact CB-OD2 3.42Å; G403-D615 PolarHBondContact N-OD2 3.36Å; R508-D615 WeakPolarHBondContact CD-OD1 3.3Å; R508-D615 WeakPolarHBondContact CD-OD2 3.19Å; R508-D615 IonicContact CZ-OD1 3.15Å; R508-D615 IonicContact NE-OD2 3.46Å; R508-D615 IonicContact NH1-OD1 2.72Å; R508-D615 PolarHBondContact NH1-OD1 3.21Å; R508-D615 IonicContact NH1-OD2 3.56Å; F509-D615 PolarHBondContact O-N 2.91Å; F509-D615 VanDerWaalsContact O-N 3.11Å; L571-D615 HydrophobicContact CD1-CB 4.37Å; L571-D615 HydrophobicContact CD2-CB 3.9Å; D615-W617 PolarHBondContact O-N 3.16Å | ||
| 616 | T | 71.1 | Confident | 62.6 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 60% | 0.601 | 52% | 0.516 | S | S | * | . | trans | -89.2 | 88.6 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | L571 L614 S618 | L571-T616 WeakPolarHBondContact CD1-O 3.34Å; L614-T616 HydrophobicContact CD2-CG2 4.15Å; L614-T616 HydrophobicContact CG-CG2 4.27Å; L614-T616 PolarHBondContact O-N 2.76Å; T616-S618 PolarHBondContact O-N 3.22Å | ||
| 617 | W | 77.5 | Confident | 65.5 | Low | 49 Ų | 49 | 91.9 Ų | 91.9 | 19% | 0.186 | 49% | 0.491 | C | S | . | . | trans | -61.7 | 129.7 | 171 | -71 | 91.5 | 0 | 0 | 0 | 111.3 | P402 G403 R404 Y569 I570 L571 D615 W641 E643 L657 | P402-W617 HydrophobicContact CB-CZ2 3.77Å; P402-W617 HydrophobicContact CG-CH2 4.06Å; P402-W617 HydrophobicContact CG-CZ2 3.54Å; G403-W617 PolarHBondContact O-NE1 2.77Å; R404-W617 HydrophobicContact CG-CZ2 4.01Å; Y569-W617 HydrophobicContact CD1-CB 4.36Å; I570-W617 VanDerWaalsContact C-CE3 3.5Å; L571-W617 HydrophobicContact CB-CD2 3.91Å; L571-W617 HydrophobicContact CB-CE3 3.66Å; L571-W617 HydrophobicContact CB-CH2 4.28Å; L571-W617 HydrophobicContact CB-CZ2 4.49Å; L571-W617 HydrophobicContact CB-CZ3 3.85Å; L571-W617 HydrophobicContact CD2-CZ2 4.45Å; D615-W617 PolarHBondContact O-N 3.16Å; W617-W641 HydrophobicContact CH2-CB 3.73Å; W617-W641 HydrophobicContact CZ3-CB 4.05Å; W617-E643 HydrophobicContact CE3-CB 4.42Å; W617-E643 HydrophobicContact CH2-CB 3.81Å; W617-E643 WeakPolarHBondContact CZ2-OE2 3.09Å; W617-E643 HydrophobicContact CZ3-CB 3.73Å; W617-L657 HydrophobicContact CH2-CD1 3.64Å; W617-L657 HydrophobicContact CZ2-CD1 4.3Å | ||
| 618 | S | 82.5 | Confident | 68.4 | Low | 56 Ų | 56 | 91.2 Ų | 91.2 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 143.8 | 171.5 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | Y569 I570 T616 A620 | Y569-S618 CarbonylContact C-O 3.56Å; Y569-S618 WeakPolarHBondContact CA-O 3.22Å; I570-S618 WeakPolarHBondContact CG1-OG 3.45Å; I570-S618 PolarHBondContact N-O 2.69Å; I570-S618 PolarHBondContact O-N 2.94Å; I570-S618 PolarHBondContact O-OG 2.81Å; T616-S618 PolarHBondContact O-N 3.22Å; S618-A620 PolarHBondContact O-N 3.13Å |
| 619 | T | 85.1 | Confident | 71.4 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 41% | 0.411 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.3 | 177.4 | -36.9 | 0 | 0 | 0 | 0 | 109.3 | Y569 E622 | Y569-T619 HydrophobicContact CD1-CG2 4.43Å; Y569-T619 HydrophobicContact CE1-CG2 4.1Å; T619-E622 HydrophobicContact CG2-CB 4.19Å |
| 620 | A | 86.3 | Confident | 74.1 | Confident | 36 Ų | 36 | 88 Ų | 88 | 30% | 0.298 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V568 I570 S618 I631 | V568-A620 PolarHBondContact O-N 3.06Å; I570-A620 HydrophobicContact CD1-CB 4.13Å; I570-A620 HydrophobicContact CG1-CB 4.13Å; I570-A620 HydrophobicContact CG2-CB 3.88Å; S618-A620 PolarHBondContact O-N 3.13Å; A620-I631 HydrophobicContact CB-CD1 4.01Å; A620-I631 HydrophobicContact CB-CG1 4.26Å; A620-I631 HydrophobicContact CB-CG2 4.07Å |
| 621 | I | 86.7 | Confident | 76.9 | Confident | 32 Ų | 32 | 80.2 Ų | 80.2 | 16% | 0.164 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 113.3 | 174.5 | -58.8 | 178.7 | 0 | 0 | 0 | 107.9 | K567 V568 T624 V629 I631 | K567-I621 WeakPolarHBondContact CA-O 3.27Å; V568-I621 HydrophobicContact CB-CB 4.01Å; V568-I621 HydrophobicContact CB-CG1 4.35Å; V568-I621 HydrophobicContact CG2-CB 4.1Å; V568-I621 HydrophobicContact CG2-CD1 4.23Å; V568-I621 HydrophobicContact CG2-CG1 4.47Å; V568-I621 PolarHBondContact N-O 2.81Å; V568-I621 PolarHBondContact O-N 3.19Å; V568-I621 VanDerWaalsContact O-N 3.13Å; I621-T624 HydrophobicContact CG2-CG2 4.22Å; I621-V629 HydrophobicContact CD1-CB 3.6Å; I621-V629 HydrophobicContact CD1-CG1 3.94Å; I621-V629 HydrophobicContact CD1-CG2 3.72Å; I621-I631 HydrophobicContact CD1-CG1 4.44Å |
| 622 | E | 83.7 | Confident | 79.4 | Confident | 135 Ų | 135 | 78.9 Ų | 78.9 | 63% | 0.631 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -26.3 | -173.8 | 178.7 | 156.2 | -143.6 | 0 | 0 | 114 | K567 T619 | K567-E622 WeakPolarHBondContact CD-O 3.38Å; K567-E622 WeakPolarHBondContact CE-O 3.32Å; K567-E622 VanDerWaalsContact CG-O 3.3Å; K567-E622 WeakPolarHBondContact CG-O 3.24Å; K567-E622 PolarHBondContact NZ-O 3.2Å; K567-E622 IonicContact NZ-OE1 2.67Å; K567-E622 PolarHBondContact NZ-OE1 2.72Å; T619-E622 HydrophobicContact CG2-CB 4.19Å |
| 623 | K | 85.5 | Confident | 81.3 | Confident | 122 Ų | 122 | 74.4 Ų | 74.4 | 53% | 0.53 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 131.4 | 169 | -161.3 | 178.2 | -172.8 | -174.4 | 0 | 110.3 | S565 Y566 Y625 | S565-K623 VanDerWaalsContact CB-CE 3.48Å; S565-K623 VanDerWaalsContact OG-CE 3.24Å; S565-K623 WeakPolarHBondContact OG-CE 3.45Å; Y566-K623 WeakPolarHBondContact O-CA 3.48Å; K623-Y625 WeakPolarHBondContact CE-OH 3.38Å; K623-Y625 PolarHBondContact NZ-OH 3.07Å |
| 624 | T | 86.9 | Confident | 82.9 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 8% | 0.08 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.8 | 165.4 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | W555 S565 Y566 I621 H626 V629 | W555-T624 HydrophobicContact CH2-CG2 4.37Å; W555-T624 HydrophobicContact CZ2-CG2 4.34Å; S565-T624 CarbonylContact C-O 3.56Å; S565-T624 WeakPolarHBondContact CA-O 3.37Å; S565-T624 WeakPolarHBondContact CB-O 3.07Å; Y566-T624 HydrophobicContact CD2-CG2 4.3Å; Y566-T624 PolarHBondContact N-O 3.04Å; Y566-T624 PolarHBondContact O-N 2.87Å; I621-T624 HydrophobicContact CG2-CG2 4.22Å; T624-H626 PolarHBondContact OG1-N 3.15Å; T624-H626 VanDerWaalsContact OG1-N 3.11Å; T624-H626 PolarHBondContact OG1-ND1 2.82Å; T624-V629 HydrophobicContact CG2-CG1 3.92Å |
| 625 | Y | 85.6 | Confident | 84 | Confident | 147 Ų | 147 | 70.9 Ų | 70.9 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | trans | -109.7 | -12.6 | 167.1 | -55.7 | -76.2 | 0 | 0 | 0 | 112 | T564 K623 | T564-Y625 WeakPolarHBondContact O-CD1 3.31Å; K623-Y625 WeakPolarHBondContact CE-OH 3.38Å; K623-Y625 PolarHBondContact NZ-OH 3.07Å | ||
| 626 | H | 84.7 | Confident | 84.4 | Confident | 135 Ų | 135 | 73 Ų | 73 | 63% | 0.625 | 39% | 0.394 | S | S | * | . | trans | -78.2 | 139.2 | 178.9 | -50.2 | 100.5 | 0 | 0 | 0 | 111.3 | W555 T624 Q628 | W555-H626 VanDerWaalsContact CZ2-O 3.25Å; W555-H626 WeakPolarHBondContact CZ2-O 3.41Å; T624-H626 PolarHBondContact OG1-N 3.15Å; T624-H626 VanDerWaalsContact OG1-N 3.11Å; T624-H626 PolarHBondContact OG1-ND1 2.82Å; H626-Q628 VanDerWaalsContact C-N 3.31Å; H626-Q628 WeakPolarHBondContact CB-O 3.44Å | ||
| 627 | T | 85.7 | Confident | 84.3 | Confident | 61 Ų | 61 | 71 Ų | 71 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -76.1 | -15.5 | 173 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | N554 W555 | N554-T627 CarbonylContact C-O 3.54Å; N554-T627 WeakPolarHBondContact CA-O 3.44Å; W555-T627 VanDerWaalsContact CD2-O 3.23Å; W555-T627 PolarHBondContact N-O 2.89Å; W555-T627 VanDerWaalsContact N-O 3.08Å; W555-T627 WeakPolarHBondContact O-CB 3.26Å |
| 628 | Q | 88.2 | Confident | 84 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.9 | 172.3 | -169.8 | -178.2 | 8.5 | 0 | 0 | 110.3 | V552 L553 N554 H626 | V552-Q628 HydrophobicContact CG1-CG 4.24Å; L553-Q628 VanDerWaalsContact O-CA 3.3Å; L553-Q628 WeakPolarHBondContact O-CA 3.47Å; L553-Q628 VanDerWaalsContact O-CG 3.3Å; L553-Q628 WeakPolarHBondContact O-CG 3.45Å; N554-Q628 HydrophobicContact CB-CG 4.36Å; H626-Q628 VanDerWaalsContact C-N 3.31Å; H626-Q628 WeakPolarHBondContact CB-O 3.44Å |
| 629 | V | 89.7 | Confident | 83.6 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.4 | -179.1 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | V552 L553 W555 V568 I621 T624 | V552-V629 CarbonylContact C-O 3.6Å; V552-V629 WeakPolarHBondContact CA-O 3.3Å; L553-V629 HydrophobicContact CB-CG2 4.07Å; L553-V629 HydrophobicContact CD1-CG2 4.33Å; L553-V629 PolarHBondContact N-O 3.27Å; L553-V629 PolarHBondContact O-N 2.82Å; W555-V629 HydrophobicContact CH2-CG1 4.12Å; W555-V629 HydrophobicContact CH2-CG2 3.69Å; W555-V629 HydrophobicContact CZ3-CG2 3.65Å; V568-V629 HydrophobicContact CG2-CG2 4.35Å; I621-V629 HydrophobicContact CD1-CB 3.6Å; I621-V629 HydrophobicContact CD1-CG1 3.94Å; I621-V629 HydrophobicContact CD1-CG2 3.72Å; T624-V629 HydrophobicContact CG2-CG1 3.92Å |
| 630 | R | 90 | Very high | 83.4 | Confident | 138 Ų | 138 | 65.2 Ų | 65.2 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.1 | 171.8 | -174.1 | 177.7 | -177.2 | -168.7 | 1 | 110.1 | W550 I551 V552 T632 | W550-R630 HydrophobicContact CB-CG 4.42Å; W550-R630 VanDerWaalsContact CD1-NH2 3.25Å; W550-R630 HydrophobicContact CE3-CG 4.49Å; W550-R630 VanDerWaalsContact NE1-NH2 3.15Å; I551-R630 CarbonylContact O-C 3.57Å; I551-R630 WeakPolarHBondContact O-CA 3.28Å; V552-R630 HydrophobicContact CG2-CB 4.04Å; V552-R630 HydrophobicContact CG2-CG 3.82Å; R630-T632 HydrophobicContact CG-CG2 4.01Å |
| 631 | I | 89.7 | Confident | 83.3 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.5 | 166.2 | -54.8 | 175.5 | 0 | 0 | 0 | 107.8 | W550 I551 L553 V568 I570 A620 I621 L634 | W550-I631 CarbonylContact C-O 3.57Å; W550-I631 WeakPolarHBondContact CA-O 3.2Å; W550-I631 WeakPolarHBondContact CB-O 3.48Å; I551-I631 PolarHBondContact N-O 2.85Å; I551-I631 PolarHBondContact O-N 2.87Å; L553-I631 HydrophobicContact CD1-CD1 3.83Å; L553-I631 HydrophobicContact CD1-CG1 4.35Å; V568-I631 HydrophobicContact CG1-CD1 3.92Å; I570-I631 HydrophobicContact CG2-CD1 3.83Å; A620-I631 HydrophobicContact CB-CD1 4.01Å; A620-I631 HydrophobicContact CB-CG1 4.26Å; A620-I631 HydrophobicContact CB-CG2 4.07Å; I621-I631 HydrophobicContact CD1-CG1 4.44Å; I631-L634 HydrophobicContact CG2-CD1 4.09Å; I631-L634 HydrophobicContact CG2-CD2 3.9Å; I631-L634 HydrophobicContact CG2-CG 4.03Å |
| 632 | T | 89 | Confident | 83.3 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 164.9 | 177.3 | 57 | 0 | 0 | 0 | 0 | 110.7 | T549 W550 R630 | T549-T632 CarbonylContact O-C 3.6Å; W550-T632 HydrophobicContact CB-CG2 4.03Å; R630-T632 HydrophobicContact CG-CG2 4.01Å |
| 633 | G | 82.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 76% | 0.763 | 30% | 0.296 | S | S | * | . | trans | 81.6 | 20.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | T549 | T549-G633 PolarHBondContact O-N 2.85Š| ||
| 634 | L | 85.7 | Confident | 83.6 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 151.5 | 174.5 | -57.4 | 173 | 0 | 0 | 0 | 110.6 | T549 I551 I570 I631 Y640 T664 | T549-L634 WeakPolarHBondContact CA-O 3.47Å; T549-L634 PolarHBondContact O-N 2.91Å; I551-L634 HydrophobicContact CB-CD1 4.2Å; I551-L634 HydrophobicContact CD1-CD1 3.44Å; I551-L634 VanDerWaalsContact CD1-CD1 3.44Å; I551-L634 HydrophobicContact CG1-CD1 3.58Å; I570-L634 HydrophobicContact CD1-CD2 3.66Å; I631-L634 HydrophobicContact CG2-CD1 4.09Å; I631-L634 HydrophobicContact CG2-CD2 3.9Å; I631-L634 HydrophobicContact CG2-CG 4.03Å; L634-Y640 HydrophobicContact CB-CE2 3.93Å; L634-Y640 HydrophobicContact CD2-CD1 4.2Å; L634-Y640 HydrophobicContact CD2-CD2 4.43Å; L634-Y640 HydrophobicContact CD2-CE1 3.86Å; L634-Y640 HydrophobicContact CD2-CE2 4.12Å; L634-Y640 HydrophobicContact CD2-CG 4.47Å; L634-Y640 HydrophobicContact CG-CE2 4.42Å; L634-T664 HydrophobicContact CB-CG2 3.65Å; L634-T664 HydrophobicContact CD1-CG2 4Å; L634-T664 HydrophobicContact CG-CG2 4.5Å |
| 635 | V | 80.5 | Confident | 83.6 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 135.2 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | T638 Y640 T664 | V635-T638 WeakPolarHBondContact CG1-OG1 3.28Å; V635-T638 WeakPolarHBondContact O-CB 3.34Å; V635-Y640 PolarHBondContact N-OH 3.04Å; V635-T664 WeakPolarHBondContact O-CB 3.27Å; V635-T664 PolarHBondContact O-OG1 2.83Å |
| 636 | P | 74.7 | Confident | 83.7 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 158.1 | 174.9 | -22.5 | 32.8 | 0 | 0 | 0 | 114.1 | D548 T549 T638 T664 | D548-P636 VanDerWaalsContact O-CA 3.25Å; D548-P636 WeakPolarHBondContact O-CA 3.44Å; D548-P636 WeakPolarHBondContact O-CB 2.99Å; D548-P636 WeakPolarHBondContact O-CG 3.43Å; T549-P636 HydrophobicContact CG2-CG 4.18Å; P636-T638 PolarHBondContact O-N 3.36Å; P636-T638 VanDerWaalsContact O-N 3.08Å; P636-T638 PolarHBondContact O-OG1 2.85Å; P636-T664 VanDerWaalsContact C-OG1 3.26Å; P636-T664 WeakPolarHBondContact CA-OG1 3.48Å |
| 637 | D | 69.3 | Low | 83.7 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 31% | 0.305 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 28.6 | 178.1 | -139.9 | 13.9 | 0 | 0 | 0 | 114.1 | K310 T664 K666 | K310-D637 VanDerWaalsContact NZ-CG 3.32Å; K310-D637 IonicContact NZ-OD1 3.37Å; K310-D637 PolarHBondContact NZ-OD1 3.02Å; K310-D637 IonicContact NZ-OD2 3.54Å; K310-D637 PolarHBondContact NZ-OD2 3.4Å; K310-D637 VanDerWaalsContact NZ-OD2 3.14Å; D637-T664 WeakPolarHBondContact CA-O 3.04Å; D637-T664 PolarHBondContact N-O 2.85Å; D637-T664 PolarHBondContact N-OG1 2.83Å; D637-T664 VanDerWaalsContact N-OG1 3.12Å; D637-K666 HydrophobicContact CB-CB 4.14Å; D637-K666 HydrophobicContact CB-CG 4.4Å; D637-K666 WeakPolarHBondContact OD2-CD 3.47Å |
| 638 | T | 71.2 | Confident | 83.5 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | trans | -123.8 | 133.6 | -170.6 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | V635 P636 Y640 Y663 T664 | V635-T638 WeakPolarHBondContact CG1-OG1 3.28Å; V635-T638 WeakPolarHBondContact O-CB 3.34Å; P636-T638 PolarHBondContact O-N 3.36Å; P636-T638 VanDerWaalsContact O-N 3.08Å; P636-T638 PolarHBondContact O-OG1 2.85Å; T638-Y640 HydrophobicContact CG2-CD2 4.49Å; T638-Y640 HydrophobicContact CG2-CE2 3.78Å; T638-Y640 VanDerWaalsContact O-CD2 3.31Å; T638-Y640 WeakPolarHBondContact O-CD2 3.42Å; T638-Y640 WeakPolarHBondContact O-CE2 3.5Å; T638-Y663 WeakPolarHBondContact O-CA 3.23Å; T638-T664 PolarHBondContact N-OG1 2.89Å; T638-T664 PolarHBondContact O-N 2.95Å; T638-T664 VanDerWaalsContact O-N 3.13Å; T638-T664 PolarHBondContact O-OG1 3.22Å | ||
| 639 | G | 74 | Confident | 82.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 136.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P572 Q573 I661 V662 Y663 | P572-G639 CarbonylContact C-O 3.58Å; P572-G639 WeakPolarHBondContact CA-O 3.36Å; Q573-G639 WeakPolarHBondContact CB-O 3.41Å; Q573-G639 PolarHBondContact N-O 2.9Å; G639-I661 VanDerWaalsContact CA-CG2 3.49Å; G639-V662 CarbonylContact C-O 3.56Å; G639-V662 WeakPolarHBondContact CA-O 3.45Å; G639-Y663 VanDerWaalsContact CA-CD1 3.4Å |
| 640 | Y | 82.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.7 | 177 | -65.4 | -88.4 | 0 | 0 | 0 | 111.5 | I570 P572 L634 V635 T638 V662 T664 | I570-Y640 HydrophobicContact CB-CD1 4.39Å; I570-Y640 HydrophobicContact CD1-CD1 4.17Å; I570-Y640 HydrophobicContact CD1-CE1 4.27Å; P572-Y640 HydrophobicContact CB-CD1 4.09Å; P572-Y640 HydrophobicContact CB-CE1 3.87Å; L634-Y640 HydrophobicContact CB-CE2 3.93Å; L634-Y640 HydrophobicContact CD2-CD1 4.2Å; L634-Y640 HydrophobicContact CD2-CD2 4.43Å; L634-Y640 HydrophobicContact CD2-CE1 3.86Å; L634-Y640 HydrophobicContact CD2-CE2 4.12Å; L634-Y640 HydrophobicContact CD2-CG 4.47Å; L634-Y640 HydrophobicContact CG-CE2 4.42Å; V635-Y640 PolarHBondContact N-OH 3.04Å; T638-Y640 HydrophobicContact CG2-CD2 4.49Å; T638-Y640 HydrophobicContact CG2-CE2 3.78Å; T638-Y640 VanDerWaalsContact O-CD2 3.31Å; T638-Y640 WeakPolarHBondContact O-CD2 3.42Å; T638-Y640 WeakPolarHBondContact O-CE2 3.5Å; Y640-V662 PolarHBondContact N-O 2.89Å; Y640-V662 PolarHBondContact O-N 3.29Å; Y640-T664 HydrophobicContact CD2-CG2 4.4Å; Y640-T664 HydrophobicContact CE2-CG2 4.06Å |
| 641 | W | 83.4 | Confident | 81.5 | Confident | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 147 | 155.5 | -67 | 98.8 | 0 | 0 | 0 | 109.4 | Y314 L400 P402 I570 L571 W617 L657 I661 | Y314-W641 HydrophobicContact CE2-CH2 4.45Å; Y314-W641 WeakPolarHBondContact OH-CZ2 3.04Å; L400-W641 VanDerWaalsContact O-CZ2 3.23Å; L400-W641 WeakPolarHBondContact O-CZ2 3.4Å; P402-W641 HydrophobicContact CG-CB 4.49Å; P402-W641 HydrophobicContact CG-CD2 3.95Å; P402-W641 HydrophobicContact CG-CE3 4.4Å; P402-W641 HydrophobicContact CG-CG 3.99Å; I570-W641 VanDerWaalsContact CA-O 3.24Å; I570-W641 WeakPolarHBondContact CA-O 3.03Å; L571-W641 HydrophobicContact CB-CB 4.26Å; L571-W641 PolarHBondContact N-O 3.01Å; L571-W641 PolarHBondContact O-N 2.9Å; W617-W641 HydrophobicContact CH2-CB 3.73Å; W617-W641 HydrophobicContact CZ3-CB 4.05Å; W641-L657 HydrophobicContact CB-CD1 4.43Å; W641-L657 HydrophobicContact CE3-CD1 4Å; W641-L657 HydrophobicContact CE3-CD2 4.08Å; W641-L657 HydrophobicContact CE3-CG 4.24Å; W641-L657 HydrophobicContact CZ3-CD2 4.09Å; W641-I661 HydrophobicContact CD2-CD1 4.48Å; W641-I661 HydrophobicContact CD2-CG1 3.74Å; W641-I661 HydrophobicContact CE3-CG1 4.2Å; W641-I661 HydrophobicContact CG-CG1 4.23Å; W641-I661 HydrophobicContact CH2-CG1 4.1Å; W641-I661 HydrophobicContact CZ2-CD1 3.84Å; W641-I661 HydrophobicContact CZ2-CG1 3.61Å; W641-I661 HydrophobicContact CZ3-CG1 4.36Å |
| 642 | V | 86.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.5 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | L553 V568 I570 V658 V662 | L553-V642 HydrophobicContact CD1-CG1 3.49Å; L553-V642 VanDerWaalsContact CD1-CG1 3.49Å; L553-V642 HydrophobicContact CD2-CG1 3.97Å; L553-V642 HydrophobicContact CG-CG1 4.38Å; V568-V642 HydrophobicContact CG1-CG1 4.22Å; I570-V642 HydrophobicContact CG2-CG2 4.27Å; V642-V658 HydrophobicContact CB-CB 4.32Å; V642-V658 HydrophobicContact CB-CG2 3.89Å; V642-V658 HydrophobicContact CG1-CG2 4.11Å; V642-V658 PolarHBondContact O-N 3.01Å; V642-V662 HydrophobicContact CG2-CG2 3.93Å |
| 643 | E | 87 | Confident | 80.8 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.1 | -177.4 | -175.7 | -178.7 | 131.1 | 0 | 0 | 111.2 | R404 Y569 W617 R645 G655 A656 L657 | R404-E643 WeakPolarHBondContact CD-OE2 3.21Å; R404-E643 VanDerWaalsContact CG-OE2 3.27Å; R404-E643 WeakPolarHBondContact CG-OE2 3.2Å; Y569-E643 PolarHBondContact N-O 3.15Å; Y569-E643 PolarHBondContact O-N 2.79Å; W617-E643 HydrophobicContact CE3-CB 4.42Å; W617-E643 HydrophobicContact CH2-CB 3.81Å; W617-E643 WeakPolarHBondContact CZ2-OE2 3.09Å; W617-E643 HydrophobicContact CZ3-CB 3.73Å; E643-R645 IonicContact OE1-CZ 3.81Å; E643-R645 IonicContact OE1-NE 3.3Å; E643-R645 PolarHBondContact OE1-NE 2.79Å; E643-R645 IonicContact OE1-NH2 2.67Å; E643-R645 PolarHBondContact OE1-NH2 2.84Å; E643-G655 WeakPolarHBondContact OE1-CA 3.44Å; E643-A656 WeakPolarHBondContact CA-O 3.25Å; E643-L657 HydrophobicContact CB-CD1 4.18Å |
| 644 | V | 88.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.3 | 177.7 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | P538 V541 W555 Y566 V568 A656 | P538-V644 HydrophobicContact CG-CB 4.44Å; P538-V644 HydrophobicContact CG-CG1 4.01Å; V541-V644 HydrophobicContact CG1-CB 4.47Å; V541-V644 HydrophobicContact CG1-CG2 3.72Å; V541-V644 HydrophobicContact CG2-CB 4.32Å; V541-V644 HydrophobicContact CG2-CG2 4.41Å; W555-V644 HydrophobicContact CD2-CG1 4.07Å; W555-V644 HydrophobicContact CE3-CG1 4.03Å; W555-V644 HydrophobicContact CE3-CG2 3.95Å; W555-V644 HydrophobicContact CH2-CG1 3.93Å; W555-V644 HydrophobicContact CZ2-CG1 3.96Å; W555-V644 HydrophobicContact CZ3-CG1 3.95Å; W555-V644 HydrophobicContact CZ3-CG2 3.89Å; Y566-V644 HydrophobicContact CD1-CG1 4.41Å; V568-V644 HydrophobicContact CG1-CG2 4.4Å; V568-V644 HydrophobicContact CG2-CG1 4.39Å; V568-V644 HydrophobicContact CG2-CG2 4.35Å; V644-A656 PolarHBondContact N-O 3.16Å; V644-A656 PolarHBondContact O-N 2.82Å |
| 645 | R | 87.9 | Confident | 80.3 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.3 | 177.1 | -71.1 | -177 | -178.8 | -114.9 | 2.4 | 110.9 | V405 G406 Y566 K567 Y569 E643 M652 S653 | V405-R645 PolarHBondContact O-NH1 3.07Å; V405-R645 PolarHBondContact O-NH2 2.84Å; G406-R645 PolarHBondContact O-NH1 2.73Å; Y566-R645 CarbonylContact C-O 3.58Å; Y566-R645 VanDerWaalsContact CA-O 3.27Å; Y566-R645 WeakPolarHBondContact CA-O 3.33Å; K567-R645 PolarHBondContact N-O 2.87Å; K567-R645 PolarHBondContact O-N 2.84Å; Y569-R645 HydrophobicContact CD2-CG 4.43Å; Y569-R645 HydrophobicContact CE2-CB 4.44Å; Y569-R645 HydrophobicContact CE2-CG 4.37Å; E643-R645 IonicContact OE1-CZ 3.81Å; E643-R645 IonicContact OE1-NE 3.3Å; E643-R645 PolarHBondContact OE1-NE 2.79Å; E643-R645 IonicContact OE1-NH2 2.67Å; E643-R645 PolarHBondContact OE1-NH2 2.84Å; R645-M652 HydrophobicContact CB-CG 3.75Å; R645-M652 HydrophobicContact CB-SD 3.88Å; R645-M652 WeakPolarHBondContact CD-SD 3.35Å; R645-M652 HydrophobicContact CG-CG 4.25Å; R645-M652 HydrophobicContact CG-SD 4.27Å; R645-S653 PolarHBondContact NH1-O 2.77Å |
| 646 | K | 87 | Confident | 80.3 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 143.6 | 171.5 | -170.5 | 167 | 171.2 | 171.7 | 0 | 109.6 | P535 P538 D557 S559 T564 S565 Y566 M652 S653 | P535-K646 HydrophobicContact CB-CB 4.19Å; P535-K646 HydrophobicContact CB-CD 4.13Å; P535-K646 HydrophobicContact CB-CG 3.9Å; P535-K646 HydrophobicContact CG-CB 4.37Å; P535-K646 HydrophobicContact CG-CG 4.38Å; P535-K646 WeakPolarHBondContact CG-O 3.33Å; P538-K646 HydrophobicContact CG-CB 4.26Å; D557-K646 IonicContact OD1-NZ 2.69Å; D557-K646 PolarHBondContact OD1-NZ 3.14Å; D557-K646 IonicContact OD2-NZ 3.67Å; D557-K646 PolarHBondContact OD2-NZ 3.09Å; S559-K646 PolarHBondContact OG-NZ 2.95Å; T564-K646 VanDerWaalsContact CG2-CE 3.44Å; S565-K646 CarbonylContact O-C 3.59Å; Y566-K646 HydrophobicContact CD1-CB 4.26Å; Y566-K646 HydrophobicContact CD1-CG 4.39Å; Y566-K646 HydrophobicContact CE1-CB 4.37Å; Y566-K646 HydrophobicContact CE1-CD 4.24Å; Y566-K646 HydrophobicContact CE1-CG 4.2Å; K646-M652 CarbonylContact O-C 3.47Å; K646-M652 WeakPolarHBondContact O-CA 3.47Å; K646-S653 PolarHBondContact N-OG 2.73Å; K646-S653 PolarHBondContact O-N 2.76Å |
| 647 | V | 85.5 | Confident | 80.4 | Confident | 26 Ų | 26 | 20.3 Ų | 20.3 | 16% | 0.158 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.4 | -174.1 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | T564 S565 K567 G651 M652 | T564-V647 WeakPolarHBondContact CA-O 3.5Å; S565-V647 PolarHBondContact N-O 2.66Å; S565-V647 WeakPolarHBondContact O-CA 3.31Å; S565-V647 WeakPolarHBondContact O-CB 3.23Å; S565-V647 PolarHBondContact O-N 2.69Å; K567-V647 HydrophobicContact CG-CG2 3.97Å; V647-G651 WeakPolarHBondContact CA-O 3.26Å; V647-M652 HydrophobicContact CG2-CB 4.16Å; V647-M652 HydrophobicContact CG2-CG 3.82Å; V647-M652 HydrophobicContact CG2-SD 4.02Å |
| 648 | N | 79.8 | Confident | 80.7 | Confident | 29 Ų | 29 | 17.6 Ų | 17.6 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | trans | -123.7 | -172.8 | 170.8 | 71.9 | 5 | 0 | 0 | 0 | 110.1 | Q533 T564 F650 G651 | Q533-N648 PolarHBondContact O-ND2 2.97Å; T564-N648 HydrophobicContact CG2-CB 4.11Å; N648-F650 VanDerWaalsContact C-N 3.29Å; N648-F650 PolarHBondContact O-N 3.37Å; N648-F650 WeakPolarHBondContact OD1-CA 3.49Å; N648-F650 WeakPolarHBondContact OD1-CB 3.18Å; N648-F650 PolarHBondContact OD1-N 2.72Å; N648-G651 PolarHBondContact N-O 3.5Å; N648-G651 PolarHBondContact OD1-N 2.68Å; N648-G651 PolarHBondContact OD1-O 3.34Å | ||
| 649 | S | 75.6 | Confident | 80.5 | Confident | 76 Ų | 76 | 19.3 Ų | 19.3 | 53% | 0.531 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -62.4 | -31.9 | 176.1 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | T410 | T410-S649 WeakPolarHBondContact CG2-O 3.43Å; T410-S649 PolarHBondContact OG1-O 2.74Å |
| 650 | F | 73.4 | Confident | 80 | Confident | 83 Ų | 83 | 24 Ų | 24 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -82.6 | -29.5 | -176.8 | -59.4 | -80.7 | 0 | 0 | 0 | 113.6 | S409 T410 R529 Q533 N648 | S409-F650 CarbonylContact C-O 3.47Å; S409-F650 WeakPolarHBondContact CA-O 3.18Å; T410-F650 PolarHBondContact N-O 2.9Å; R529-F650 PolarHBondContact NH1-O 3.25Å; Q533-F650 HydrophobicContact CB-CB 4.02Å; Q533-F650 HydrophobicContact CB-CD1 3.94Å; Q533-F650 HydrophobicContact CB-CD2 4.32Å; Q533-F650 HydrophobicContact CB-CG 3.84Å; Q533-F650 HydrophobicContact CG-CD1 4.34Å; Q533-F650 HydrophobicContact CG-CE1 4.47Å; Q533-F650 WeakPolarHBondContact O-CB 3.36Å; N648-F650 VanDerWaalsContact C-N 3.29Å; N648-F650 PolarHBondContact O-N 3.37Å; N648-F650 WeakPolarHBondContact OD1-CA 3.49Å; N648-F650 WeakPolarHBondContact OD1-CB 3.18Å; N648-F650 PolarHBondContact OD1-N 2.72Å |
| 651 | G | 77 | Confident | 79.4 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -159 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V408 V647 N648 | V408-G651 CarbonylContact O-C 3.53Å; V408-G651 VanDerWaalsContact O-CA 3.24Å; V408-G651 WeakPolarHBondContact O-CA 3.09Å; V647-G651 WeakPolarHBondContact CA-O 3.26Å; N648-G651 PolarHBondContact N-O 3.5Å; N648-G651 PolarHBondContact OD1-N 2.68Å; N648-G651 PolarHBondContact OD1-O 3.34Å |
| 652 | M | 82.5 | Confident | 78.9 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 4% | 0.044 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.7 | -179.5 | -177.9 | 166.5 | 67.2 | 0 | 0 | 109.8 | A407 V408 Y512 Y569 R645 K646 V647 | A407-M652 CarbonylContact C-O 3.59Å; A407-M652 VanDerWaalsContact CA-O 3.3Å; A407-M652 WeakPolarHBondContact CA-O 3.32Å; V408-M652 PolarHBondContact N-O 3.08Å; V408-M652 PolarHBondContact O-N 2.98Å; Y512-M652 HydrophobicContact CD2-CE 4.21Å; Y512-M652 HydrophobicContact CE2-CE 3.48Å; Y512-M652 VanDerWaalsContact CE2-CE 3.48Å; Y569-M652 HydrophobicContact CE2-SD 4.21Å; R645-M652 HydrophobicContact CB-CG 3.75Å; R645-M652 HydrophobicContact CB-SD 3.88Å; R645-M652 WeakPolarHBondContact CD-SD 3.35Å; R645-M652 HydrophobicContact CG-CG 4.25Å; R645-M652 HydrophobicContact CG-SD 4.27Å; K646-M652 CarbonylContact O-C 3.47Å; K646-M652 WeakPolarHBondContact O-CA 3.47Å; V647-M652 HydrophobicContact CG2-CB 4.16Å; V647-M652 HydrophobicContact CG2-CG 3.82Å; V647-M652 HydrophobicContact CG2-SD 4.02Å |
| 653 | S | 83.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 167.3 | -178.5 | 73 | 0 | 0 | 0 | 0 | 112.4 | P535 S536 R645 K646 | P535-S653 WeakPolarHBondContact O-CA 3.37Å; P535-S653 WeakPolarHBondContact O-CB 3.31Å; S536-S653 VanDerWaalsContact O-CB 3.25Å; S536-S653 WeakPolarHBondContact O-CB 3.24Å; R645-S653 PolarHBondContact NH1-O 2.77Å; K646-S653 PolarHBondContact N-OG 2.73Å; K646-S653 PolarHBondContact O-N 2.76Å |
| 654 | S | 78.2 | Confident | 77.7 | Confident | 20 Ų | 20 | 24.7 Ų | 24.7 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 144.9 | 152.7 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | P537 | P537-S654 WeakPolarHBondContact CB-O 3.38Š|
| 655 | G | 78.3 | Confident | 76.7 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 128.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R404 E643 L657 | R404-G655 PolarHBondContact NH1-O 2.7Å; E643-G655 WeakPolarHBondContact OE1-CA 3.44Å; G655-L657 PolarHBondContact O-N 3.41Å |
| 656 | A | 81.5 | Confident | 75.2 | Confident | 16 Ų | 16 | 33 Ų | 33 | 13% | 0.132 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 107.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | P537 P538 V541 E643 V644 | P537-A656 HydrophobicContact CB-CB 4.36Å; P538-A656 HydrophobicContact CB-CB 4.47Å; P538-A656 VanDerWaalsContact O-CB 3.3Å; P538-A656 WeakPolarHBondContact O-CB 3.39Å; V541-A656 HydrophobicContact CB-CB 4.45Å; V541-A656 HydrophobicContact CG2-CB 3.5Å; V541-A656 VanDerWaalsContact CG2-CB 3.5Å; E643-A656 WeakPolarHBondContact CA-O 3.25Å; V644-A656 PolarHBondContact N-O 3.16Å; V644-A656 PolarHBondContact O-N 2.82Å |
| 657 | L | 77.5 | Confident | 73.3 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.4 | -178.6 | -179.4 | 75.1 | 0 | 0 | 0 | 109.2 | I401 P402 W617 W641 E643 G655 | I401-L657 HydrophobicContact CG2-CD2 4.36Å; P402-L657 HydrophobicContact CG-CD1 4.44Å; P402-L657 HydrophobicContact CG-CD2 4.45Å; W617-L657 HydrophobicContact CH2-CD1 3.64Å; W617-L657 HydrophobicContact CZ2-CD1 4.3Å; W641-L657 HydrophobicContact CB-CD1 4.43Å; W641-L657 HydrophobicContact CE3-CD1 4Å; W641-L657 HydrophobicContact CE3-CD2 4.08Å; W641-L657 HydrophobicContact CE3-CG 4.24Å; W641-L657 HydrophobicContact CZ3-CD2 4.09Å; E643-L657 HydrophobicContact CB-CD1 4.18Å; G655-L657 PolarHBondContact O-N 3.41Å |
| 658 | V | 75.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -60.3 | 123.2 | 166.9 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | V541 I543 L553 V642 Y660 V662 | V541-V658 HydrophobicContact CG1-CG2 3.93Å; I543-V658 HydrophobicContact CD1-CG1 4.2Å; I543-V658 HydrophobicContact CG1-CG1 4.25Å; L553-V658 HydrophobicContact CD2-CG2 4.5Å; V642-V658 HydrophobicContact CB-CB 4.32Å; V642-V658 HydrophobicContact CB-CG2 3.89Å; V642-V658 HydrophobicContact CG1-CG2 4.11Å; V642-V658 PolarHBondContact O-N 3.01Å; V658-Y660 HydrophobicContact CG1-CD1 4.25Å; V658-Y660 HydrophobicContact CG1-CD2 4.31Å; V658-Y660 HydrophobicContact CG1-CE1 3.98Å; V658-Y660 HydrophobicContact CG1-CE2 4.08Å; V658-Y660 HydrophobicContact CG1-CG 4.39Å; V658-Y660 PolarHBondContact O-N 2.93Å; V658-V662 HydrophobicContact CG1-CG2 4.28Å | ||
| 659 | P | 65.7 | Low | 68.4 | Low | 72 Ų | 72 | 46.8 Ų | 46.8 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -71.7 | 9.8 | -164.4 | 24.2 | -31.3 | 0 | 0 | 0 | 115.6 | ||
| 660 | Y | 64 | Low | 66.1 | Low | 100 Ų | 100 | 51 Ų | 51 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -151.5 | 158.3 | -179.3 | 50.4 | -86.3 | 0 | 0 | 0 | 110.2 | I543 V658 | I543-Y660 HydrophobicContact CD1-CD2 4.45Å; I543-Y660 HydrophobicContact CD1-CE2 3.42Å; I543-Y660 VanDerWaalsContact CD1-CE2 3.42Å; I543-Y660 HydrophobicContact CG1-CE2 4.48Å; V658-Y660 HydrophobicContact CG1-CD1 4.25Å; V658-Y660 HydrophobicContact CG1-CD2 4.31Å; V658-Y660 HydrophobicContact CG1-CE1 3.98Å; V658-Y660 HydrophobicContact CG1-CE2 4.08Å; V658-Y660 HydrophobicContact CG1-CG 4.39Å; V658-Y660 PolarHBondContact O-N 2.93Å |
| 661 | I | 70 | Confident | 63.8 | Low | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 135.8 | 175.8 | -65.3 | 177.5 | 0 | 0 | 0 | 109.7 | Y314 Q573 G639 W641 Y663 | Y314-I661 WeakPolarHBondContact OH-CD1 3.3Å; Y314-I661 WeakPolarHBondContact OH-CG1 3.41Å; Q573-I661 HydrophobicContact CB-CD1 4.43Å; Q573-I661 HydrophobicContact CG-CD1 4.15Å; G639-I661 VanDerWaalsContact CA-CG2 3.49Å; W641-I661 HydrophobicContact CD2-CD1 4.48Å; W641-I661 HydrophobicContact CD2-CG1 3.74Å; W641-I661 HydrophobicContact CE3-CG1 4.2Å; W641-I661 HydrophobicContact CG-CG1 4.23Å; W641-I661 HydrophobicContact CH2-CG1 4.1Å; W641-I661 HydrophobicContact CZ2-CD1 3.84Å; W641-I661 HydrophobicContact CZ2-CG1 3.61Å; W641-I661 HydrophobicContact CZ3-CG1 4.36Å; I661-Y663 HydrophobicContact CB-CD2 4.43Å; I661-Y663 HydrophobicContact CB-CE2 3.78Å; I661-Y663 HydrophobicContact CG2-CD2 3.85Å; I661-Y663 HydrophobicContact CG2-CE1 4.49Å; I661-Y663 HydrophobicContact CG2-CE2 3.35Å |
| 662 | V | 71.7 | Confident | 61.3 | Low | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.3 | 177.4 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | I543 V546 I551 G639 Y640 V642 V658 | I543-V662 HydrophobicContact CD1-CB 4.14Å; I543-V662 HydrophobicContact CD1-CG1 3.72Å; I543-V662 HydrophobicContact CD1-CG2 3.39Å; I543-V662 HydrophobicContact CG1-CG2 4.25Å; V546-V662 HydrophobicContact CG2-CG1 3.82Å; I551-V662 HydrophobicContact CD1-CB 3.8Å; I551-V662 HydrophobicContact CD1-CG1 3.51Å; I551-V662 HydrophobicContact CG1-CG1 3.83Å; I551-V662 HydrophobicContact CG2-CG1 4.25Å; G639-V662 CarbonylContact C-O 3.56Å; G639-V662 WeakPolarHBondContact CA-O 3.45Å; Y640-V662 PolarHBondContact N-O 2.89Å; Y640-V662 PolarHBondContact O-N 3.29Å; V642-V662 HydrophobicContact CG2-CG2 3.93Å; V658-V662 HydrophobicContact CG1-CG2 4.28Å |
| 663 | Y | 74.3 | Confident | 58.6 | Low | 26 Ų | 26 | 66.9 Ų | 66.9 | 10% | 0.102 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.4 | 178.3 | -69.5 | -102 | 0 | 0 | 0 | 110.7 | Y312 V546 Q573 T638 G639 I661 | Y312-Y663 HydrophobicContact CD1-CD1 4.22Å; Y312-Y663 HydrophobicContact CD1-CD2 4Å; Y312-Y663 AromaticContact CD1-CE1 3.77Å; Y312-Y663 HydrophobicContact CD1-CE1 3.77Å; Y312-Y663 AromaticContact CD1-CE2 3.5Å; Y312-Y663 HydrophobicContact CD1-CE2 3.5Å; Y312-Y663 HydrophobicContact CD1-CG 4.32Å; Y312-Y663 AromaticContact CD1-CZ 3.36Å; Y312-Y663 AromaticContact CD2-CD1 3.95Å; Y312-Y663 HydrophobicContact CD2-CD1 3.95Å; Y312-Y663 AromaticContact CD2-CD2 3.18Å; Y312-Y663 HydrophobicContact CD2-CD2 3.18Å; Y312-Y663 HydrophobicContact CD2-CE1 4.29Å; Y312-Y663 AromaticContact CD2-CE2 3.58Å; Y312-Y663 HydrophobicContact CD2-CE2 3.58Å; Y312-Y663 AromaticContact CD2-CG 3.37Å; Y312-Y663 HydrophobicContact CD2-CG 3.37Å; Y312-Y663 AromaticContact CE1-CD1 3.82Å; Y312-Y663 HydrophobicContact CE1-CD1 3.82Å; Y312-Y663 HydrophobicContact CE1-CD2 4.39Å; Y312-Y663 AromaticContact CE1-CE1 3.5Å; Y312-Y663 HydrophobicContact CE1-CE1 3.5Å; Y312-Y663 VanDerWaalsContact CE1-CE1 3.5Å; Y312-Y663 HydrophobicContact CE1-CE2 4.1Å; Y312-Y663 HydrophobicContact CE1-CG 4.25Å; Y312-Y663 AromaticContact CE1-CZ 3.63Å; Y312-Y663 AromaticContact CE2-CD1 3.54Å; Y312-Y663 HydrophobicContact CE2-CD1 3.54Å; Y312-Y663 AromaticContact CE2-CD2 3.68Å; Y312-Y663 HydrophobicContact CE2-CD2 3.68Å; Y312-Y663 HydrophobicContact CE2-CE1 4.09Å; Y312-Y663 HydrophobicContact CE2-CE2 4.19Å; Y312-Y663 AromaticContact CE2-CG 3.31Å; Y312-Y663 HydrophobicContact CE2-CG 3.31Å; Y312-Y663 HydrophobicContact CG-CD1 4.27Å; Y312-Y663 AromaticContact CG-CD2 3.37Å; Y312-Y663 HydrophobicContact CG-CD2 3.37Å; Y312-Y663 HydrophobicContact CG-CE1 4.15Å; Y312-Y663 AromaticContact CG-CE2 3.19Å; Y312-Y663 HydrophobicContact CG-CE2 3.19Å; Y312-Y663 AromaticContact CG-CG 3.9Å; Y312-Y663 HydrophobicContact CG-CG 3.9Å; Y312-Y663 AromaticContact CG-CZ 3.61Å; Y312-Y663 AromaticContact CZ-CD1 3.46Å; Y312-Y663 VanDerWaalsContact CZ-CD1 3.46Å; Y312-Y663 AromaticContact CZ-CE1 3.68Å; Y312-Y663 AromaticContact CZ-CG 3.77Å; V546-Y663 WeakPolarHBondContact CG1-O 3.5Å; Q573-Y663 VanDerWaalsContact CD-OH 3.24Å; Q573-Y663 PolarHBondContact NE2-OH 2.95Å; Q573-Y663 PolarHBondContact OE1-OH 3.06Å; T638-Y663 WeakPolarHBondContact O-CA 3.23Å; G639-Y663 VanDerWaalsContact CA-CD1 3.4Å; I661-Y663 HydrophobicContact CB-CD2 4.43Å; I661-Y663 HydrophobicContact CB-CE2 3.78Å; I661-Y663 HydrophobicContact CG2-CD2 3.85Å; I661-Y663 HydrophobicContact CG2-CE1 4.49Å; I661-Y663 HydrophobicContact CG2-CE2 3.35Å |
| 664 | T | 74.1 | Confident | 55.8 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -64 | 143.7 | 170 | 44.3 | 0 | 0 | 0 | 0 | 111 | L634 V635 P636 D637 T638 Y640 K666 | L634-T664 HydrophobicContact CB-CG2 3.65Å; L634-T664 HydrophobicContact CD1-CG2 4Å; L634-T664 HydrophobicContact CG-CG2 4.5Å; V635-T664 WeakPolarHBondContact O-CB 3.27Å; V635-T664 PolarHBondContact O-OG1 2.83Å; P636-T664 VanDerWaalsContact C-OG1 3.26Å; P636-T664 WeakPolarHBondContact CA-OG1 3.48Å; D637-T664 WeakPolarHBondContact CA-O 3.04Å; D637-T664 PolarHBondContact N-O 2.85Å; D637-T664 PolarHBondContact N-OG1 2.83Å; D637-T664 VanDerWaalsContact N-OG1 3.12Å; T638-T664 PolarHBondContact N-OG1 2.89Å; T638-T664 PolarHBondContact O-N 2.95Å; T638-T664 VanDerWaalsContact O-N 3.13Å; T638-T664 PolarHBondContact O-OG1 3.22Å; Y640-T664 HydrophobicContact CD2-CG2 4.4Å; Y640-T664 HydrophobicContact CE2-CG2 4.06Å; T664-K666 PolarHBondContact O-N 3.01Å |
| 665 | V | 67.2 | Low | 53.3 | Low | 55 Ų | 55 | 78.4 Ų | 78.4 | 33% | 0.333 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 136.2 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | V546 G547 D548 K667 | V546-V665 HydrophobicContact CG1-CG2 4.41Å; G547-V665 PolarHBondContact O-N 2.9Å; D548-V665 VanDerWaalsContact CA-O 3.27Å; D548-V665 WeakPolarHBondContact CA-O 3.26Å; V665-K667 PolarHBondContact O-N 3.45Å; V665-K667 VanDerWaalsContact O-N 3.14Å |
| 666 | K | 56.6 | Low | 51 | Low | 131 Ų | 131 | 83.8 Ų | 83.8 | 57% | 0.57 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 117.5 | 167.4 | -174.4 | 177.1 | -176 | 170.6 | 0 | 107.9 | D637 T664 | D637-K666 HydrophobicContact CB-CB 4.14Å; D637-K666 HydrophobicContact CB-CG 4.4Å; D637-K666 WeakPolarHBondContact OD2-CD 3.47Å; T664-K666 PolarHBondContact O-N 3.01Å |
| 667 | K | 46.9 | Very low | 48.4 | Very low | 136 Ų | 136 | 88 Ų | 88 | 59% | 0.591 | 47% | 0.47 | S | S | * | . | trans | -45 | 119 | -179.9 | -175.1 | -179 | -178.4 | -176.1 | 0 | 109.3 | D548 V665 S669 | D548-K667 HydrophobicContact CB-CB 4.28Å; V665-K667 PolarHBondContact O-N 3.45Å; V665-K667 VanDerWaalsContact O-N 3.14Å; K667-S669 PolarHBondContact O-N 3.11Å | ||
| 668 | P | 37.1 | Very low | 46.1 | Very low | 98 Ų | 98 | 89.8 Ų | 89.8 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 134.6 | 179.1 | 25.2 | -32.9 | 0 | 0 | 0 | 108.3 | E670 | P668-E670 PolarHBondContact O-N 2.91Š|
| 669 | S | 27 | Very low | 44 | Very low | 112 Ų | 112 | 93.7 Ų | 93.7 | 78% | 0.783 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -52 | 132.5 | 158.7 | -56.2 | 0 | 0 | 0 | 0 | 107 | K667 V671 | K667-S669 PolarHBondContact O-N 3.11Å; S669-V671 PolarHBondContact O-N 3.14Å |
| 670 | E | 26.4 | Very low | 42.4 | Very low | 164 Ų | 164 | 96.8 Ų | 96.8 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -56 | 116.2 | 178.6 | -70.2 | 176.1 | 141.5 | 0 | 0 | 108.4 | P668 I672 | P668-E670 PolarHBondContact O-N 2.91Å; E670-I672 HydrophobicContact CB-CG1 4.22Å; E670-I672 PolarHBondContact O-N 3.09Å |
| 671 | V | 25.8 | Very low | 40.8 | Very low | 117 Ų | 117 | 103.6 Ų | 103.6 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | trans | -72 | 81.3 | 164.5 | -179.2 | 0 | 0 | 0 | 0 | 105.2 | S669 F673 | S669-V671 PolarHBondContact O-N 3.14Å; V671-F673 PolarHBondContact O-N 3.44Å | ||
| 672 | I | 24.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 109.8 Ų | 109.8 | 65% | 0.651 | 58% | 0.584 | S | S | * | * | trans | -57.3 | 109.6 | 167.8 | -60.7 | 173.8 | 0 | 0 | 0 | 104.7 | E670 S674 | E670-I672 HydrophobicContact CB-CG1 4.22Å; E670-I672 PolarHBondContact O-N 3.09Å; I672-S674 PolarHBondContact O-N 2.65Å | ||
| 673 | F | 24.7 | Very low | 36.9 | Very low | 185 Ų | 185 | 116.2 Ų | 116.2 | 81% | 0.811 | 62% | 0.623 | S | S | * | * | trans | -67.4 | 77.5 | 164.2 | -74.9 | -83.4 | 0 | 0 | 0 | 107.4 | V671 H675 | V671-F673 PolarHBondContact O-N 3.44Å; F673-H675 PolarHBondContact O-N 3.32Å | ||
| 674 | S | 25.1 | Very low | 34.6 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | trans | -63.3 | 102.3 | 167.5 | 41 | 0 | 0 | 0 | 0 | 106.9 | I672 V676 | I672-S674 PolarHBondContact O-N 2.65Å; S674-V676 VanDerWaalsContact C-N 3.35Å; S674-V676 WeakPolarHBondContact O-CG2 3.22Å; S674-V676 PolarHBondContact O-N 3.14Å | ||
| 675 | H | 24.5 | Very low | 32.3 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | trans | -53.6 | 107 | 157.7 | -91.9 | -93.1 | 0 | 0 | 0 | 106.6 | F673 S677 | F673-H675 PolarHBondContact O-N 3.32Å; H675-S677 PolarHBondContact O-N 2.89Å | ||
| 676 | V | 30.2 | Very low | 30.4 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | trans | -76.4 | 74.7 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | S674 N678 | S674-V676 VanDerWaalsContact C-N 3.35Å; S674-V676 WeakPolarHBondContact O-CG2 3.22Å; S674-V676 PolarHBondContact O-N 3.14Å; V676-N678 PolarHBondContact O-N 3.12Å | ||
| 677 | S | 27.3 | Very low | 29 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -74.9 | 71 | 168.8 | 57.7 | 0 | 0 | 0 | 0 | 109 | H675 S679 | H675-S677 PolarHBondContact O-N 2.89Å; S677-S679 PolarHBondContact O-N 3.29Å; S677-S679 VanDerWaalsContact O-N 3.11Å | ||
| 678 | N | 29.6 | Very low | 28 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 35% | 0.348 | 74% | 0.74 | S | S | . | * | trans | -9 | 97.1 | 167.4 | -85 | 2.7 | 0 | 0 | 0 | 115.4 | V676 Y1209 | V676-N678 PolarHBondContact O-N 3.12Å; N678-Y1209 HydrophobicContact CB-CD1 3.76Å; N678-Y1209 HydrophobicContact CB-CD2 4.36Å; N678-Y1209 HydrophobicContact CB-CE1 3.48Å; N678-Y1209 VanDerWaalsContact CB-CE1 3.48Å; N678-Y1209 HydrophobicContact CB-CE2 4.09Å; N678-Y1209 HydrophobicContact CB-CG 4.23Å; N678-Y1209 VanDerWaalsContact CG-CZ 3.47Å; N678-Y1209 VanDerWaalsContact ND2-CE2 3.26Å; N678-Y1209 WeakPolarHBondContact ND2-CE2 3.45Å; N678-Y1209 PolarHBondContact ND2-OH 2.91Å | ||
| 679 | S | 31.3 | Very low | 27.4 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 75% | 0.748 | S | S | * | * | trans | -141.7 | 136.7 | 165.1 | 70 | 0 | 0 | 0 | 0 | 110.4 | S677 | S677-S679 PolarHBondContact O-N 3.29Å; S677-S679 VanDerWaalsContact O-N 3.11Å | ||
| 680 | N | 31.3 | Very low | 27.5 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -82.9 | 121.7 | -170.6 | -78.2 | -38.6 | 0 | 0 | 0 | 112.4 | ||||
| 681 | R | 31.9 | Very low | 27.5 | Very low | 242 Ų | 242 | 137.1 Ų | 137.1 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -158.1 | 132.7 | 148.5 | -114.2 | 162.5 | -167.2 | 179 | 4.5 | 113.4 | ||||
| 682 | T | 29.4 | Very low | 27.7 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -77.4 | 125.1 | 177.7 | 49 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 683 | V | 29 | Very low | 27.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -134.6 | 113.3 | 160.5 | -176.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 684 | S | 26.3 | Very low | 27.7 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -94.6 | 100.1 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 685 | D | 26.3 | Very low | 27.8 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 176.2 | 119.6 | 147.1 | -101 | -27.5 | 0 | 0 | 0 | 110.8 | ||||
| 686 | L | 27.9 | Very low | 28.1 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 91% | 0.906 | 73% | 0.726 | S | S | * | * | trans | 170.4 | 90.4 | 147.4 | -97.8 | 159.7 | 0 | 0 | 0 | 110.9 | I688 | L686-I688 PolarHBondContact O-N 2.74Š| ||
| 687 | T | 25.6 | Very low | 27.9 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | -80.3 | 108.5 | 172.7 | 32.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 688 | I | 26.6 | Very low | 27.8 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -159.7 | 123 | 155.7 | -100.6 | 142.3 | 0 | 0 | 0 | 110.9 | L686 | L686-I688 PolarHBondContact O-N 2.74Š| ||
| 689 | K | 24.8 | Very low | 27.9 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | 29.8 | 103.9 | 153 | -53.9 | 174.3 | -177.4 | 178.1 | 0 | 118.8 | ||||
| 690 | H | 28.7 | Very low | 28.6 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | 176.5 | 135.3 | 120.8 | -94.7 | -70.9 | 0 | 0 | 0 | 109.8 | |||||
| 691 | P | 27.2 | Very low | 28.8 | Very low | 86 Ų | 86 | 131 Ų | 131 | 56% | 0.558 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -80.2 | 160.2 | 163.9 | 34 | -33 | 0 | 0 | 0 | 111.5 | ||
| 692 | D | 29.1 | Very low | 29 | Very low | 118 Ų | 118 | 124 Ų | 124 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 68 | 50.1 | 161.9 | -46.8 | -23.7 | 0 | 0 | 0 | 117.7 | R387 | R387-D692 PolarHBondContact NH2-O 2.96Å; R387-D692 VanDerWaalsContact NH2-O 3.14Å |
| 693 | S | 24.3 | Very low | 30.4 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | trans | -147 | 41.3 | 164.6 | 75.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 694 | F | 25.5 | Very low | 31.9 | Very low | 182 Ų | 182 | 117.2 Ų | 117.2 | 80% | 0.798 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -136.4 | 129.2 | 175 | -87.1 | -91.8 | 0 | 0 | 0 | 113.3 | ||
| 695 | L | 26.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 117.7 Ų | 117.7 | 88% | 0.88 | 65% | 0.654 | S | S | * | * | trans | 49.7 | 75.4 | 151.9 | -57.7 | 171.3 | 0 | 0 | 0 | 118.5 | ||||
| 696 | A | 30.4 | Very low | 35.8 | Very low | 46 Ų | 46 | 116.3 Ų | 116.3 | 38% | 0.38 | 64% | 0.642 | S | S | . | * | trans | -144 | 28.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G698 T700 | A696-G698 PolarHBondContact O-N 2.8Å; A696-G698 VanDerWaalsContact O-N 3.16Å; A696-T700 HydrophobicContact CB-CG2 3.91Å; A696-T700 PolarHBondContact O-OG1 3.15Å | ||
| 697 | G | 26.3 | Very low | 37.8 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 93% | 0.928 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -11.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 698 | G | 26.6 | Very low | 40.3 | Very low | 56 Ų | 56 | 104 Ų | 104 | 58% | 0.577 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -27.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A696 | A696-G698 PolarHBondContact O-N 2.8Å; A696-G698 VanDerWaalsContact O-N 3.16Å |
| 699 | R | 31.3 | Very low | 42.7 | Very low | 198 Ų | 198 | 99.7 Ų | 99.7 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.6 | -38.8 | -176.4 | -74.2 | -175 | 174.7 | 176.7 | -2.4 | 113.6 | A701 V702 D703 | R699-A701 PolarHBondContact O-N 2.76Å; R699-A701 VanDerWaalsContact O-N 3.13Å; R699-V702 WeakPolarHBondContact O-CA 3.45Å; R699-V702 WeakPolarHBondContact O-CB 3.27Å; R699-V702 PolarHBondContact O-N 3.35Å; R699-D703 PolarHBondContact O-N 3.18Å |
| 700 | T | 46.5 | Very low | 45.4 | Very low | 55 Ų | 55 | 92.2 Ų | 92.2 | 34% | 0.337 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.5 | -31.8 | -178 | 44.1 | 0 | 0 | 0 | 0 | 114.5 | A696 F704 Y882 | A696-T700 HydrophobicContact CB-CG2 3.91Å; A696-T700 PolarHBondContact O-OG1 3.15Å; T700-F704 WeakPolarHBondContact O-CB 3.16Å; T700-F704 PolarHBondContact O-N 3.4Å; T700-Y882 PolarHBondContact O-OH 3.28Å |
| 701 | A | 34.1 | Very low | 47.9 | Very low | 67 Ų | 67 | 83.9 Ų | 83.9 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.1 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R699 Q705 | R699-A701 PolarHBondContact O-N 2.76Å; R699-A701 VanDerWaalsContact O-N 3.13Å; A701-Q705 WeakPolarHBondContact O-CB 3.29Å; A701-Q705 PolarHBondContact O-N 2.91Å; A701-Q705 VanDerWaalsContact O-N 3.14Å |
| 702 | V | 36.4 | Very low | 50.6 | Low | 94 Ų | 94 | 85.3 Ų | 85.3 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.9 | -47 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | R699 F704 Q705 E706 | R699-V702 WeakPolarHBondContact O-CA 3.45Å; R699-V702 WeakPolarHBondContact O-CB 3.27Å; R699-V702 PolarHBondContact O-N 3.35Å; V702-F704 VanDerWaalsContact C-N 3.3Å; V702-F704 PolarHBondContact O-N 2.81Å; V702-Q705 PolarHBondContact O-N 2.81Å; V702-Q705 VanDerWaalsContact O-N 3.1Å; V702-E706 PolarHBondContact O-N 2.96Å |
| 703 | D | 59.2 | Low | 53.1 | Low | 81 Ų | 81 | 82.9 Ų | 82.9 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 178.2 | -56.9 | -29.2 | 0 | 0 | 0 | 111.6 | R699 L707 | R699-D703 PolarHBondContact O-N 3.18Å; D703-L707 WeakPolarHBondContact O-CB 3.47Å; D703-L707 PolarHBondContact O-N 2.91Å |
| 704 | F | 60.4 | Low | 56.1 | Low | 56 Ų | 56 | 79.1 Ų | 79.1 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 173.9 | 178.4 | -117.5 | 0 | 0 | 0 | 112.1 | T700 V702 E706 L707 V708 Y882 I885 | T700-F704 WeakPolarHBondContact O-CB 3.16Å; T700-F704 PolarHBondContact O-N 3.4Å; V702-F704 VanDerWaalsContact C-N 3.3Å; V702-F704 PolarHBondContact O-N 2.81Å; F704-E706 VanDerWaalsContact C-N 3.31Å; F704-E706 PolarHBondContact O-N 3.35Å; F704-L707 PolarHBondContact O-N 3.44Å; F704-V708 HydrophobicContact CD1-CG2 4.32Å; F704-V708 HydrophobicContact CD2-CG2 3.87Å; F704-V708 HydrophobicContact CE1-CG2 3.98Å; F704-V708 HydrophobicContact CE2-CG2 3.5Å; F704-V708 HydrophobicContact CG-CG2 4.29Å; F704-V708 HydrophobicContact CZ-CG2 3.57Å; F704-V708 WeakPolarHBondContact O-CB 3.02Å; F704-V708 VanDerWaalsContact O-CG2 3.3Å; F704-V708 WeakPolarHBondContact O-CG2 3.5Å; F704-V708 PolarHBondContact O-N 2.89Å; F704-Y882 HydrophobicContact CB-CD1 3.88Å; F704-Y882 HydrophobicContact CB-CD2 4.37Å; F704-Y882 HydrophobicContact CB-CE1 3.76Å; F704-Y882 HydrophobicContact CB-CE2 4.24Å; F704-Y882 HydrophobicContact CB-CG 4.22Å; F704-Y882 AromaticContact CD2-CD1 3.69Å; F704-Y882 HydrophobicContact CD2-CD1 3.69Å; F704-Y882 AromaticContact CD2-CD2 3.99Å; F704-Y882 HydrophobicContact CD2-CD2 3.99Å; F704-Y882 HydrophobicContact CD2-CE1 4.43Å; F704-Y882 AromaticContact CD2-CG 3.46Å; F704-Y882 HydrophobicContact CD2-CG 3.46Å; F704-Y882 VanDerWaalsContact CD2-CG 3.46Å; F704-Y882 HydrophobicContact CE2-CG 4.21Å; F704-Y882 HydrophobicContact CG-CD1 4.03Å; F704-Y882 HydrophobicContact CG-CE1 4.4Å; F704-Y882 HydrophobicContact CG-CG 4.2Å; F704-I885 HydrophobicContact CD2-CD1 3.97Å; F704-I885 HydrophobicContact CE2-CD1 3.77Å; F704-I885 HydrophobicContact CE2-CG1 3.97Å |
| 705 | Q | 64.4 | Low | 59 | Low | 120 Ų | 120 | 73.6 Ų | 73.6 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | -178 | -169.6 | 65.1 | 24.6 | 0 | 0 | 111.7 | A701 V702 S709 | A701-Q705 WeakPolarHBondContact O-CB 3.29Å; A701-Q705 PolarHBondContact O-N 2.91Å; A701-Q705 VanDerWaalsContact O-N 3.14Å; V702-Q705 PolarHBondContact O-N 2.81Å; V702-Q705 VanDerWaalsContact O-N 3.1Å; Q705-S709 VanDerWaalsContact O-CB 3.32Å; Q705-S709 WeakPolarHBondContact O-CB 3.44Å; Q705-S709 PolarHBondContact O-N 3.25Å; Q705-S709 PolarHBondContact O-OG 3.15Å |
| 706 | E | 70.2 | Confident | 62 | Low | 121 Ų | 121 | 66.4 Ų | 66.4 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64 | -49.1 | 172.7 | -171.4 | -177.1 | 146.6 | 0 | 0 | 111.2 | V702 F704 V708 S709 T710 | V702-E706 PolarHBondContact O-N 2.96Å; F704-E706 VanDerWaalsContact C-N 3.31Å; F704-E706 PolarHBondContact O-N 3.35Å; E706-V708 PolarHBondContact O-N 3.48Å; E706-S709 PolarHBondContact O-N 2.97Å; E706-S709 PolarHBondContact O-OG 3.34Å; E706-T710 WeakPolarHBondContact O-CB 3.18Å; E706-T710 PolarHBondContact O-N 2.03Å; E706-T710 PolarHBondContact O-OG1 3.21Å |
| 707 | L | 70.5 | Confident | 64.7 | Low | 30 Ų | 30 | 66.1 Ų | 66.1 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68 | -35.6 | -177.5 | -157.4 | 148.2 | 0 | 0 | 0 | 112.3 | D703 F704 T710 F711 I885 | D703-L707 WeakPolarHBondContact O-CB 3.47Å; D703-L707 PolarHBondContact O-N 2.91Å; F704-L707 PolarHBondContact O-N 3.44Å; L707-T710 WeakPolarHBondContact O-CB 3.4Å; L707-T710 PolarHBondContact O-N 2.62Å; L707-F711 HydrophobicContact CD2-CD2 4.13Å; L707-F711 HydrophobicContact CD2-CE2 4.47Å; L707-F711 PolarHBondContact O-N 2.91Å; L707-I885 HydrophobicContact CD2-CD1 3.54Å; L707-I885 HydrophobicContact CD2-CG2 4.38Å |
| 708 | V | 76.8 | Confident | 67.4 | Low | 20 Ų | 20 | 71.4 Ų | 71.4 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 169.4 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | F704 E706 T710 F711 Q712 I885 | F704-V708 HydrophobicContact CD1-CG2 4.32Å; F704-V708 HydrophobicContact CD2-CG2 3.87Å; F704-V708 HydrophobicContact CE1-CG2 3.98Å; F704-V708 HydrophobicContact CE2-CG2 3.5Å; F704-V708 HydrophobicContact CG-CG2 4.29Å; F704-V708 HydrophobicContact CZ-CG2 3.57Å; F704-V708 WeakPolarHBondContact O-CB 3.02Å; F704-V708 VanDerWaalsContact O-CG2 3.3Å; F704-V708 WeakPolarHBondContact O-CG2 3.5Å; F704-V708 PolarHBondContact O-N 2.89Å; E706-V708 PolarHBondContact O-N 3.48Å; V708-T710 PolarHBondContact O-N 3.01Å; V708-F711 PolarHBondContact O-N 2.88Å; V708-F711 VanDerWaalsContact O-N 3.17Å; V708-Q712 HydrophobicContact CG1-CG 4.39Å; V708-Q712 WeakPolarHBondContact O-CG 3.35Å; V708-Q712 PolarHBondContact O-N 2.96Å; V708-I885 HydrophobicContact CG2-CD1 4.33Å; V708-I885 HydrophobicContact CG2-CG1 4.41Å; V708-I885 HydrophobicContact CG2-CG2 4.08Å |
| 709 | S | 76.5 | Confident | 70.2 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 177.4 | 78.8 | 0 | 0 | 0 | 0 | 112.2 | Q705 E706 Q712 S713 | Q705-S709 VanDerWaalsContact O-CB 3.32Å; Q705-S709 WeakPolarHBondContact O-CB 3.44Å; Q705-S709 PolarHBondContact O-N 3.25Å; Q705-S709 PolarHBondContact O-OG 3.15Å; E706-S709 PolarHBondContact O-N 2.97Å; E706-S709 PolarHBondContact O-OG 3.34Å; S709-Q712 PolarHBondContact O-N 3.08Å; S709-S713 PolarHBondContact O-N 2.64Å |
| 710 | T | 81.3 | Confident | 72.7 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | E706 L707 V708 S713 V741 | E706-T710 WeakPolarHBondContact O-CB 3.18Å; E706-T710 PolarHBondContact O-N 2.03Å; E706-T710 PolarHBondContact O-OG1 3.21Å; L707-T710 WeakPolarHBondContact O-CB 3.4Å; L707-T710 PolarHBondContact O-N 2.62Å; V708-T710 PolarHBondContact O-N 3.01Å; T710-S713 WeakPolarHBondContact O-CB 3.43Å; T710-S713 PolarHBondContact O-N 3.37Å; T710-S713 PolarHBondContact O-OG 2.99Å; T710-V741 HydrophobicContact CG2-CB 4.43Å; T710-V741 HydrophobicContact CG2-CG1 4.14Å; T710-V741 HydrophobicContact CG2-CG2 3.46Å; T710-V741 VanDerWaalsContact CG2-CG2 3.46Å |
| 711 | F | 83.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.4 | -31 | 177.6 | -94.8 | -100.5 | 0 | 0 | 0 | 113.6 | L707 V708 S713 I714 R744 I745 K877 I885 S887 | L707-F711 HydrophobicContact CD2-CD2 4.13Å; L707-F711 HydrophobicContact CD2-CE2 4.47Å; L707-F711 PolarHBondContact O-N 2.91Å; V708-F711 PolarHBondContact O-N 2.88Å; V708-F711 VanDerWaalsContact O-N 3.17Å; F711-S713 PolarHBondContact O-N 3.47Å; F711-I714 HydrophobicContact CD1-CD1 3.58Å; F711-I714 HydrophobicContact CE1-CD1 3.7Å; F711-I714 HydrophobicContact CG-CD1 4.12Å; F711-I714 HydrophobicContact CZ-CD1 4.32Å; F711-I714 PolarHBondContact O-N 3.08Å; F711-R744 HydrophobicContact CE2-CB 3.89Å; F711-R744 HydrophobicContact CZ-CB 3.88Å; F711-I745 HydrophobicContact CE1-CG1 4.13Å; F711-I745 HydrophobicContact CZ-CG1 4.29Å; F711-K877 HydrophobicContact CD1-CB 4.41Å; F711-K877 HydrophobicContact CD2-CB 4.44Å; F711-K877 HydrophobicContact CE1-CB 3.79Å; F711-K877 HydrophobicContact CE2-CB 3.84Å; F711-K877 HydrophobicContact CE2-CG 4.48Å; F711-K877 HydrophobicContact CZ-CB 3.51Å; F711-K877 HydrophobicContact CZ-CG 4.43Å; F711-I885 HydrophobicContact CB-CG2 3.92Å; F711-I885 HydrophobicContact CG-CG2 4.13Å; F711-S887 WeakPolarHBondContact O-CA 3.28Å; F711-S887 VanDerWaalsContact O-CB 3.24Å; F711-S887 WeakPolarHBondContact O-CB 3.38Å |
| 712 | Q | 83.2 | Confident | 76.8 | Confident | 116 Ų | 116 | 63.1 Ų | 63.1 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -12.8 | 171.6 | -70.9 | 179.4 | 11.6 | 0 | 0 | 113.7 | V708 S709 | V708-Q712 HydrophobicContact CG1-CG 4.39Å; V708-Q712 WeakPolarHBondContact O-CG 3.35Å; V708-Q712 PolarHBondContact O-N 2.96Å; S709-Q712 PolarHBondContact O-N 3.08Å |
| 713 | S | 81.7 | Confident | 79.1 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.9 | 176.7 | 81.1 | 0 | 0 | 0 | 0 | 115.3 | S709 T710 F711 D715 | S709-S713 PolarHBondContact O-N 2.64Å; T710-S713 WeakPolarHBondContact O-CB 3.43Å; T710-S713 PolarHBondContact O-N 3.37Å; T710-S713 PolarHBondContact O-OG 2.99Å; F711-S713 PolarHBondContact O-N 3.47Å; S713-D715 PolarHBondContact O-N 2.7Å |
| 714 | I | 86.9 | Confident | 80.1 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | trans | -74.9 | 122.5 | -175.9 | -61.5 | 164.7 | 0 | 0 | 0 | 110.7 | F711 L716 V741 I745 A875 | F711-I714 HydrophobicContact CD1-CD1 3.58Å; F711-I714 HydrophobicContact CE1-CD1 3.7Å; F711-I714 HydrophobicContact CG-CD1 4.12Å; F711-I714 HydrophobicContact CZ-CD1 4.32Å; F711-I714 PolarHBondContact O-N 3.08Å; I714-L716 HydrophobicContact CG2-CD2 3.98Å; I714-L716 HydrophobicContact CG2-CG 4.23Å; I714-V741 HydrophobicContact CD1-CG1 3.95Å; I714-V741 HydrophobicContact CG1-CG1 3.7Å; I714-I745 HydrophobicContact CD1-CD1 4Å; I714-I745 HydrophobicContact CD1-CG1 4.06Å; I714-I745 HydrophobicContact CG2-CD1 4.44Å; I714-A875 HydrophobicContact CD1-CB 4.2Å; I714-A875 HydrophobicContact CG2-CB 4.4Å | ||
| 715 | D | 87.4 | Confident | 81.2 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 102.7 | 177.9 | 172.5 | 33.4 | 0 | 0 | 0 | 110.7 | S713 H717 R736 | S713-D715 PolarHBondContact O-N 2.7Å; D715-H717 PolarHBondContact O-ND1 2.7Å; D715-R736 HydrophobicContact CB-CB 4.07Å; D715-R736 PolarHBondContact N-O 2.69Å; D715-R736 PolarHBondContact O-N 2.81Å; D715-R736 WeakPolarHBondContact OD2-CD 3.34Å; D715-R736 IonicContact OD2-CZ 3.16Å; D715-R736 IonicContact OD2-NE 3.15Å; D715-R736 IonicContact OD2-NH1 2.77Å; D715-R736 PolarHBondContact OD2-NH1 3.31Å |
| 716 | L | 89.3 | Confident | 82.1 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.4 | 176.1 | -62.6 | 177.8 | 0 | 0 | 0 | 109.9 | I714 A735 F748 I873 A875 | I714-L716 HydrophobicContact CG2-CD2 3.98Å; I714-L716 HydrophobicContact CG2-CG 4.23Å; L716-A735 HydrophobicContact CD2-CB 3.82Å; L716-F748 HydrophobicContact CD2-CD1 4.45Å; L716-F748 HydrophobicContact CD2-CE1 3.9Å; L716-I873 WeakPolarHBondContact CD1-O 3.31Å; L716-A875 HydrophobicContact CD2-CB 4.47Å |
| 717 | H | 86.1 | Confident | 82.7 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 177.1 | -168.3 | 71.3 | -59.7 | 0 | 0 | 0 | 111.7 | D715 I719 A734 | D715-H717 PolarHBondContact O-ND1 2.7Å; H717-I719 VanDerWaalsContact C-N 3.25Å; H717-I719 PolarHBondContact O-N 3.34Å; H717-A734 PolarHBondContact N-O 2.7Å; H717-A734 PolarHBondContact ND1-O 2.75Å; H717-A734 PolarHBondContact O-N 2.75Å |
| 718 | R | 83 | Confident | 83.4 | Confident | 201 Ų | 201 | 53.7 Ų | 53.7 | 76% | 0.758 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.1 | 38.6 | -176.8 | -64.5 | 177.4 | 173.2 | -145.1 | -2.6 | 113.9 | S720 A734 | R718-S720 PolarHBondContact O-N 2.95Å; R718-A734 HydrophobicContact CB-CB 4.18Å |
| 719 | I | 85.1 | Confident | 83.8 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.9 | 174.5 | -45.9 | 167.3 | 0 | 0 | 0 | 108.7 | H717 I721 S732 I873 S890 R891 E893 | H717-I719 VanDerWaalsContact C-N 3.25Å; H717-I719 PolarHBondContact O-N 3.34Å; I719-I721 HydrophobicContact CG2-CG1 4.4Å; I719-S732 CarbonylContact C-O 3.54Å; I719-S732 VanDerWaalsContact CA-O 3.31Å; I719-S732 WeakPolarHBondContact CA-O 3.27Å; I719-I873 HydrophobicContact CG2-CD1 4.33Å; I719-S890 WeakPolarHBondContact CD1-OG 3.41Å; I719-R891 HydrophobicContact CD1-CB 4.49Å; I719-R891 WeakPolarHBondContact CD1-O 3.39Å; I719-E893 HydrophobicContact CB-CG 4.48Å |
| 720 | S | 83.8 | Confident | 84.4 | Confident | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 115.2 | 173.1 | 163 | 0 | 0 | 0 | 0 | 108.7 | R718 R722 S732 | R718-S720 PolarHBondContact O-N 2.95Å; S720-R722 PolarHBondContact OG-NE 2.91Å; S720-S732 PolarHBondContact N-O 2.92Å; S720-S732 PolarHBondContact O-N 2.67Å; S720-S732 PolarHBondContact O-OG 3.46Å |
| 721 | I | 86.4 | Confident | 84.7 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.3 | 172.3 | -45.9 | 157.5 | 0 | 0 | 0 | 107.9 | I719 L729 L730 V731 T871 E893 A895 | I719-I721 HydrophobicContact CG2-CG1 4.4Å; I721-L729 HydrophobicContact CG2-CB 4.13Å; I721-L729 HydrophobicContact CG2-CD1 4.09Å; I721-L729 HydrophobicContact CG2-CD2 4.32Å; I721-L729 HydrophobicContact CG2-CG 4.41Å; I721-L730 CarbonylContact C-O 3.56Å; I721-L730 WeakPolarHBondContact CA-O 3.18Å; I721-V731 HydrophobicContact CG1-CG2 4.42Å; I721-V731 HydrophobicContact CG2-CG2 4.13Å; I721-T871 HydrophobicContact CD1-CG2 4.47Å; I721-T871 WeakPolarHBondContact CD1-OG1 3.32Å; I721-E893 HydrophobicContact CD1-CB 3.68Å; I721-A895 HydrophobicContact CB-CB 4Å; I721-A895 HydrophobicContact CD1-CB 4.27Å; I721-A895 HydrophobicContact CG2-CB 3.43Å; I721-A895 VanDerWaalsContact CG2-CB 3.43Å |
| 722 | R | 82.1 | Confident | 85 | Confident | 108 Ų | 108 | 52 Ų | 52 | 41% | 0.408 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.2 | 176 | -56.5 | -179 | -167.3 | -176.8 | -1.8 | 110 | S720 L730 M817 | S720-R722 PolarHBondContact OG-NE 2.91Å; R722-L730 PolarHBondContact N-O 2.77Å; R722-L730 PolarHBondContact O-N 2.99Å; R722-M817 PolarHBondContact NH1-SD 3.38Å; R722-M817 PolarHBondContact NH2-SD 3.01Å |
| 723 | P | 84.1 | Confident | 85.4 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 29% | 0.292 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 136.5 | 170.8 | 29.8 | -33.8 | 0 | 0 | 0 | 110.8 | L729 L898 | P723-L729 HydrophobicContact CB-CD2 3.98Å; P723-L898 HydrophobicContact CB-CD2 4.24Å; P723-L898 HydrophobicContact CB-CG 4.05Å; P723-L898 HydrophobicContact CG-CD2 4Å; P723-L898 HydrophobicContact CG-CG 4.36Å |
| 724 | L | 80.2 | Confident | 85.8 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -96.8 | -41.7 | 170 | -66 | 179.5 | 0 | 0 | 0 | 110.6 | E728 L730 V859 | L724-E728 HydrophobicContact CB-CB 4.13Å; L724-E728 PolarHBondContact N-O 2.97Å; L724-L730 HydrophobicContact CD1-CB 3.99Å; L724-L730 HydrophobicContact CD2-CB 3.98Å; L724-L730 HydrophobicContact CD2-CD2 4.41Å; L724-L730 HydrophobicContact CG-CB 3.85Å; L724-V859 HydrophobicContact CD1-CG1 3.94Å; L724-V859 HydrophobicContact CD1-CG2 3.78Å |
| 725 | T | 84.1 | Confident | 85.9 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 31% | 0.307 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -140 | -171.3 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 110.2 | S727 E728 | T725-S727 PolarHBondContact O-N 2.87Å; T725-S727 PolarHBondContact OG1-N 2.88Å; T725-E728 WeakPolarHBondContact CB-OE2 3.33Å; T725-E728 WeakPolarHBondContact CG2-OE2 3.23Å; T725-E728 WeakPolarHBondContact OG1-CB 3.2Å; T725-E728 WeakPolarHBondContact OG1-CG 3.33Å; T725-E728 PolarHBondContact OG1-N 3.39Å; T725-E728 PolarHBondContact OG1-OE2 2.76Å |
| 726 | S | 82.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -69.6 | -9.9 | 171.3 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | P865 T897 L898 | S726-P865 VanDerWaalsContact O-CA 3.28Å; S726-P865 WeakPolarHBondContact O-CA 3.32Å; S726-T897 WeakPolarHBondContact O-CB 3.37Å; S726-L898 WeakPolarHBondContact CA-O 3.37Å; S726-L898 WeakPolarHBondContact CB-O 3.29Å |
| 727 | S | 83.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -133.8 | 6.3 | -175.9 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | T725 G861 D862 L863 | T725-S727 PolarHBondContact O-N 2.87Å; T725-S727 PolarHBondContact OG1-N 2.88Å; S727-G861 CarbonylContact O-C 3.29Å; S727-G861 WeakPolarHBondContact O-CA 3.3Å; S727-D862 PolarHBondContact O-N 3.29Å; S727-L863 VanDerWaalsContact CA-O 3.28Å; S727-L863 WeakPolarHBondContact CA-O 3.09Å; S727-L863 WeakPolarHBondContact CB-O 3.22Å; S727-L863 WeakPolarHBondContact O-CB 3.36Å; S727-L863 PolarHBondContact O-N 3.17Å; S727-L863 VanDerWaalsContact O-N 3.08Å |
| 728 | E | 83.7 | Confident | 85.5 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | trans | -133.1 | 136.4 | -177.4 | -63.9 | 165.9 | 113.3 | 0 | 0 | 113.3 | L724 T725 V859 I860 | L724-E728 HydrophobicContact CB-CB 4.13Å; L724-E728 PolarHBondContact N-O 2.97Å; T725-E728 WeakPolarHBondContact CB-OE2 3.33Å; T725-E728 WeakPolarHBondContact CG2-OE2 3.23Å; T725-E728 WeakPolarHBondContact OG1-CB 3.2Å; T725-E728 WeakPolarHBondContact OG1-CG 3.33Å; T725-E728 PolarHBondContact OG1-N 3.39Å; T725-E728 PolarHBondContact OG1-OE2 2.76Å; E728-V859 HydrophobicContact CB-CG1 4.3Å; E728-V859 HydrophobicContact CG-CG1 4.46Å; E728-I860 CarbonylContact C-O 3.52Å; E728-I860 WeakPolarHBondContact CA-O 3.5Å | ||
| 729 | L | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.4 | 170.2 | -63.9 | 176.9 | 0 | 0 | 0 | 110.7 | I721 P723 I860 L863 Y869 A895 T897 | I721-L729 HydrophobicContact CG2-CB 4.13Å; I721-L729 HydrophobicContact CG2-CD1 4.09Å; I721-L729 HydrophobicContact CG2-CD2 4.32Å; I721-L729 HydrophobicContact CG2-CG 4.41Å; P723-L729 HydrophobicContact CB-CD2 3.98Å; L729-I860 PolarHBondContact N-O 3.22Å; L729-I860 PolarHBondContact O-N 2.63Å; L729-L863 HydrophobicContact CB-CD1 4.07Å; L729-L863 HydrophobicContact CD1-CD1 3.67Å; L729-L863 HydrophobicContact CG-CD1 3.52Å; L729-Y869 HydrophobicContact CD1-CD2 4.44Å; L729-Y869 HydrophobicContact CD1-CG 4.5Å; L729-A895 HydrophobicContact CD1-CB 4.03Å; L729-A895 HydrophobicContact CD2-CB 4.11Å; L729-T897 HydrophobicContact CD2-CG2 4.23Å; L729-T897 HydrophobicContact CG-CG2 4.37Å |
| 730 | L | 87.9 | Confident | 85.1 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 120.1 | 164.1 | 176.1 | 65.5 | 0 | 0 | 0 | 109.1 | I721 R722 L724 V859 | I721-L730 CarbonylContact C-O 3.56Å; I721-L730 WeakPolarHBondContact CA-O 3.18Å; R722-L730 PolarHBondContact N-O 2.77Å; R722-L730 PolarHBondContact O-N 2.99Å; L724-L730 HydrophobicContact CD1-CB 3.99Å; L724-L730 HydrophobicContact CD2-CB 3.98Å; L724-L730 HydrophobicContact CD2-CD2 4.41Å; L724-L730 HydrophobicContact CG-CB 3.85Å; L730-V859 HydrophobicContact CD1-CG2 3.96Å |
| 731 | V | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.6 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | I721 W733 I750 K857 A858 I860 I873 | I721-V731 HydrophobicContact CG1-CG2 4.42Å; I721-V731 HydrophobicContact CG2-CG2 4.13Å; V731-W733 HydrophobicContact CG1-CE3 4.07Å; V731-W733 HydrophobicContact CG1-CZ3 4.32Å; V731-I750 HydrophobicContact CB-CD1 4.39Å; V731-I750 HydrophobicContact CG1-CD1 4.29Å; V731-K857 CarbonylContact O-C 3.54Å; V731-K857 WeakPolarHBondContact O-CA 3.4Å; V731-A858 PolarHBondContact N-O 3.38Å; V731-A858 PolarHBondContact O-N 3.1Å; V731-I860 HydrophobicContact CB-CD1 4.48Å; V731-I860 HydrophobicContact CG2-CD1 3.56Å; V731-I860 HydrophobicContact CG2-CG1 4.3Å; V731-I873 HydrophobicContact CG1-CD1 3.86Å |
| 732 | S | 89.5 | Confident | 84.8 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.7 | 172.4 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | I719 S720 A856 | I719-S732 CarbonylContact C-O 3.54Å; I719-S732 VanDerWaalsContact CA-O 3.31Å; I719-S732 WeakPolarHBondContact CA-O 3.27Å; S720-S732 PolarHBondContact N-O 2.92Å; S720-S732 PolarHBondContact O-N 2.67Å; S720-S732 PolarHBondContact O-OG 3.46Å; S732-A856 VanDerWaalsContact CA-O 3.31Å; S732-A856 WeakPolarHBondContact CA-O 3.44Å |
| 733 | W | 91.3 | Very high | 84.7 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.4 | -175 | 65 | 102.4 | 0 | 0 | 0 | 111.5 | V731 F748 I750 I845 V855 A856 A858 I873 | V731-W733 HydrophobicContact CG1-CE3 4.07Å; V731-W733 HydrophobicContact CG1-CZ3 4.32Å; W733-F748 AromaticContact CE2-CG 3.89Å; W733-F748 HydrophobicContact CZ2-CB 3.79Å; W733-F748 HydrophobicContact CZ2-CD1 4.35Å; W733-F748 AromaticContact CZ2-CD2 3.82Å; W733-F748 HydrophobicContact CZ2-CD2 3.82Å; W733-F748 AromaticContact CZ2-CG 3.72Å; W733-F748 HydrophobicContact CZ2-CG 3.72Å; W733-F748 AromaticContact NE1-CD1 3.22Å; W733-F748 AromaticContact NE1-CD2 3.86Å; W733-F748 AromaticContact NE1-CE1 3.35Å; W733-F748 AromaticContact NE1-CE2 3.98Å; W733-F748 AromaticContact NE1-CG 3.5Å; W733-F748 AromaticContact NE1-CZ 3.74Å; W733-I750 HydrophobicContact CH2-CD1 3.92Å; W733-I750 HydrophobicContact CZ3-CD1 3.8Å; W733-I845 HydrophobicContact CH2-CD1 4.06Å; W733-V855 WeakPolarHBondContact O-CA 3.31Å; W733-A856 HydrophobicContact CD2-CB 4.11Å; W733-A856 HydrophobicContact CH2-CB 3.89Å; W733-A856 HydrophobicContact CZ2-CB 3.41Å; W733-A856 VanDerWaalsContact CZ2-CB 3.41Å; W733-A856 HydrophobicContact CZ3-CB 4.43Å; W733-A856 PolarHBondContact N-O 3.25Å; W733-A856 VanDerWaalsContact N-O 3.08Å; W733-A856 PolarHBondContact O-N 2.78Å; W733-A858 HydrophobicContact CH2-CB 4.11Å; W733-A858 HydrophobicContact CZ3-CB 3.97Å; W733-I873 HydrophobicContact CB-CD1 3.68Å; W733-I873 HydrophobicContact CD2-CD1 3.66Å; W733-I873 HydrophobicContact CD2-CG2 4.34Å; W733-I873 HydrophobicContact CE3-CD1 3.74Å; W733-I873 HydrophobicContact CG-CD1 3.65Å; W733-I873 HydrophobicContact CG-CG2 4.38Å |
| 734 | A | 89.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H717 R718 P854 V855 | H717-A734 PolarHBondContact N-O 2.7Å; H717-A734 PolarHBondContact ND1-O 2.75Å; H717-A734 PolarHBondContact O-N 2.75Å; R718-A734 HydrophobicContact CB-CB 4.18Å; A734-P854 CarbonylContact C-O 3.55Å; A734-P854 VanDerWaalsContact CA-O 3.24Å; A734-P854 WeakPolarHBondContact CA-O 3.39Å; A734-V855 HydrophobicContact CB-CG2 4.23Å |
| 735 | A | 88.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L716 L742 F748 V849 P854 | L716-A735 HydrophobicContact CD2-CB 3.82Å; A735-L742 HydrophobicContact CB-CD2 4.12Å; A735-F748 HydrophobicContact CB-CE1 4.24Å; A735-F748 HydrophobicContact CB-CZ 4.19Å; A735-V849 HydrophobicContact CB-CG1 4.21Å; A735-P854 PolarHBondContact N-O 2.93Å |
| 736 | R | 87.2 | Confident | 84.6 | Confident | 139 Ų | 139 | 47.1 Ų | 47.1 | 53% | 0.525 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 124.3 | 176.3 | 174.5 | -171.4 | -68.3 | 152.4 | -12.5 | 110.4 | D715 | D715-R736 HydrophobicContact CB-CB 4.07Å; D715-R736 PolarHBondContact N-O 2.69Å; D715-R736 PolarHBondContact O-N 2.81Å; D715-R736 WeakPolarHBondContact OD2-CD 3.34Å; D715-R736 IonicContact OD2-CZ 3.16Å; D715-R736 IonicContact OD2-NE 3.15Å; D715-R736 IonicContact OD2-NH1 2.77Å; D715-R736 PolarHBondContact OD2-NH1 3.31Å |
| 737 | S | 85.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -161.7 | -166.1 | 165.9 | -166 | 0 | 0 | 0 | 0 | 108.6 | V741 | S737-V741 WeakPolarHBondContact OG-CB 3.04Å; S737-V741 WeakPolarHBondContact OG-CG1 3.34Å |
| 738 | S | 82 | Confident | 84.9 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | trans | -66.6 | 157.5 | 169.6 | 89.8 | 0 | 0 | 0 | 0 | 111 | E740 V741 L742 | S738-E740 PolarHBondContact O-N 2.96Å; S738-E740 PolarHBondContact OG-N 3.5Å; S738-V741 PolarHBondContact O-N 2.81Å; S738-V741 VanDerWaalsContact O-N 3.13Å; S738-V741 WeakPolarHBondContact OG-CG2 3.24Å; S738-V741 PolarHBondContact OG-N 2.9Å; S738-L742 WeakPolarHBondContact O-CG 3.41Å; S738-L742 PolarHBondContact O-N 2.86Å | ||
| 739 | N | 79.4 | Confident | 85 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.7 | -30.5 | 179.3 | -165.9 | 24.5 | 0 | 0 | 0 | 112.2 | R743 | N739-R743 VanDerWaalsContact O-CB 3.31Å; N739-R743 WeakPolarHBondContact O-CB 3.49Å; N739-R743 WeakPolarHBondContact O-CD 3.49Å; N739-R743 WeakPolarHBondContact O-CG 3.14Å; N739-R743 PolarHBondContact O-N 2.96Å; N739-R743 VanDerWaalsContact O-N 3.1Å |
| 740 | E | 79.2 | Confident | 85.1 | Confident | 135 Ų | 135 | 42.7 Ų | 42.7 | 63% | 0.631 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -70.9 | -36.9 | 176 | -63 | -177.5 | -177 | 0 | 0 | 112.5 | S738 R744 | S738-E740 PolarHBondContact O-N 2.96Å; S738-E740 PolarHBondContact OG-N 3.5Å; E740-R744 WeakPolarHBondContact O-CG 3.24Å; E740-R744 PolarHBondContact O-N 2.78Å |
| 741 | V | 81.8 | Confident | 84.9 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.6 | -42 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 111 | T710 I714 S737 S738 R743 R744 | T710-V741 HydrophobicContact CG2-CB 4.43Å; T710-V741 HydrophobicContact CG2-CG1 4.14Å; T710-V741 HydrophobicContact CG2-CG2 3.46Å; T710-V741 VanDerWaalsContact CG2-CG2 3.46Å; I714-V741 HydrophobicContact CD1-CG1 3.95Å; I714-V741 HydrophobicContact CG1-CG1 3.7Å; S737-V741 WeakPolarHBondContact OG-CB 3.04Å; S737-V741 WeakPolarHBondContact OG-CG1 3.34Å; S738-V741 PolarHBondContact O-N 2.81Å; S738-V741 VanDerWaalsContact O-N 3.13Å; S738-V741 WeakPolarHBondContact OG-CG2 3.24Å; S738-V741 PolarHBondContact OG-N 2.9Å; V741-R743 VanDerWaalsContact C-N 3.29Å; V741-R743 PolarHBondContact O-N 2.89Å; V741-R744 WeakPolarHBondContact O-CB 3.31Å; V741-R744 PolarHBondContact O-N 2.92Å |
| 742 | L | 83.1 | Confident | 84.7 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 174.3 | -67.8 | 177.7 | 0 | 0 | 0 | 111.5 | A735 S738 R744 I745 V849 | A735-L742 HydrophobicContact CB-CD2 4.12Å; S738-L742 WeakPolarHBondContact O-CG 3.41Å; S738-L742 PolarHBondContact O-N 2.86Å; L742-R744 PolarHBondContact O-N 3.08Å; L742-I745 HydrophobicContact CD2-CD1 3.94Å; L742-I745 WeakPolarHBondContact O-CB 3.34Å; L742-I745 PolarHBondContact O-N 2.87Å; L742-I745 VanDerWaalsContact O-N 3.12Å; L742-V849 HydrophobicContact CD2-CG1 4.34Å |
| 743 | R | 80.2 | Confident | 84.3 | Confident | 191 Ų | 191 | 45.7 Ų | 45.7 | 72% | 0.721 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.6 | 173.5 | -75.4 | 172 | 177.3 | -164.7 | -4.7 | 115.1 | N739 V741 | N739-R743 VanDerWaalsContact O-CB 3.31Å; N739-R743 WeakPolarHBondContact O-CB 3.49Å; N739-R743 WeakPolarHBondContact O-CD 3.49Å; N739-R743 WeakPolarHBondContact O-CG 3.14Å; N739-R743 PolarHBondContact O-N 2.96Å; N739-R743 VanDerWaalsContact O-N 3.1Å; V741-R743 VanDerWaalsContact C-N 3.29Å; V741-R743 PolarHBondContact O-N 2.89Å |
| 744 | R | 80.9 | Confident | 83.7 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.8 | 173.4 | -69.2 | 172.6 | -164.7 | -161.4 | 7.1 | 112.7 | F711 E740 V741 L742 D746 K877 | F711-R744 HydrophobicContact CE2-CB 3.89Å; F711-R744 HydrophobicContact CZ-CB 3.88Å; E740-R744 WeakPolarHBondContact O-CG 3.24Å; E740-R744 PolarHBondContact O-N 2.78Å; V741-R744 WeakPolarHBondContact O-CB 3.31Å; V741-R744 PolarHBondContact O-N 2.92Å; L742-R744 PolarHBondContact O-N 3.08Å; R744-D746 PolarHBondContact O-N 2.83Å; R744-K877 WeakPolarHBondContact O-CD 3.45Å |
| 745 | I | 83 | Confident | 83.1 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | trans | -76.4 | 116.9 | 179 | -58.6 | 172.9 | 0 | 0 | 0 | 109.3 | F711 I714 L742 G747 F748 A875 | F711-I745 HydrophobicContact CE1-CG1 4.13Å; F711-I745 HydrophobicContact CZ-CG1 4.29Å; I714-I745 HydrophobicContact CD1-CD1 4Å; I714-I745 HydrophobicContact CD1-CG1 4.06Å; I714-I745 HydrophobicContact CG2-CD1 4.44Å; L742-I745 HydrophobicContact CD2-CD1 3.94Å; L742-I745 WeakPolarHBondContact O-CB 3.34Å; L742-I745 PolarHBondContact O-N 2.87Å; L742-I745 VanDerWaalsContact O-N 3.12Å; I745-G747 VanDerWaalsContact CG2-O 3.3Å; I745-G747 WeakPolarHBondContact CG2-O 3.34Å; I745-F748 HydrophobicContact CD1-CZ 4.48Å; I745-F748 HydrophobicContact CG2-CE1 4.45Å; I745-F748 HydrophobicContact CG2-CE2 4.15Å; I745-F748 HydrophobicContact CG2-CZ 4.03Å; I745-A875 HydrophobicContact CD1-CB 4.17Å; I745-A875 HydrophobicContact CG1-CB 4.42Å; I745-A875 HydrophobicContact CG2-CB 4.17Å | ||
| 746 | D | 82 | Confident | 82.4 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | trans | -85.7 | -26.8 | 174.9 | -59.3 | -42.8 | 0 | 0 | 0 | 112 | R744 M846 F876 K877 D878 | R744-D746 PolarHBondContact O-N 2.83Å; D746-M846 HydrophobicContact CB-CE 4.18Å; D746-F876 HydrophobicContact CB-CE2 4.25Å; D746-F876 PolarHBondContact N-O 3.18Å; D746-K877 IonicContact OD1-NZ 2.7Å; D746-K877 PolarHBondContact OD1-NZ 3.4Å; D746-K877 WeakPolarHBondContact OD2-CA 3.06Å; D746-K877 VanDerWaalsContact OD2-CD 3.27Å; D746-K877 WeakPolarHBondContact OD2-CD 3.44Å; D746-K877 VanDerWaalsContact OD2-CE 3.26Å; D746-K877 WeakPolarHBondContact OD2-CE 3.45Å; D746-K877 IonicContact OD2-NZ 2.7Å; D746-K877 PolarHBondContact OD2-NZ 2.81Å; D746-D878 PolarHBondContact OD2-N 2.81Å | ||
| 747 | G | 84 | Confident | 81.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -171.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I745 I845 F876 | I745-G747 VanDerWaalsContact CG2-O 3.3Å; I745-G747 WeakPolarHBondContact CG2-O 3.34Å; G747-I845 CarbonylContact C-O 3.5Å; G747-I845 WeakPolarHBondContact CA-O 3.29Å; G747-F876 VanDerWaalsContact C-CD1 3.48Å; G747-F876 WeakPolarHBondContact O-CD1 3.32Å; G747-F876 PolarHBondContact O-N 2.85Å |
| 748 | F | 88.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.7 | 177.6 | -60 | -91.4 | 0 | 0 | 0 | 110.8 | L716 W733 A735 I745 I845 K847 V849 I873 E874 A875 | L716-F748 HydrophobicContact CD2-CD1 4.45Å; L716-F748 HydrophobicContact CD2-CE1 3.9Å; W733-F748 AromaticContact CE2-CG 3.89Å; W733-F748 HydrophobicContact CZ2-CB 3.79Å; W733-F748 HydrophobicContact CZ2-CD1 4.35Å; W733-F748 AromaticContact CZ2-CD2 3.82Å; W733-F748 HydrophobicContact CZ2-CD2 3.82Å; W733-F748 AromaticContact CZ2-CG 3.72Å; W733-F748 HydrophobicContact CZ2-CG 3.72Å; W733-F748 AromaticContact NE1-CD1 3.22Å; W733-F748 AromaticContact NE1-CD2 3.86Å; W733-F748 AromaticContact NE1-CE1 3.35Å; W733-F748 AromaticContact NE1-CE2 3.98Å; W733-F748 AromaticContact NE1-CG 3.5Å; W733-F748 AromaticContact NE1-CZ 3.74Å; A735-F748 HydrophobicContact CB-CE1 4.24Å; A735-F748 HydrophobicContact CB-CZ 4.19Å; I745-F748 HydrophobicContact CD1-CZ 4.48Å; I745-F748 HydrophobicContact CG2-CE1 4.45Å; I745-F748 HydrophobicContact CG2-CE2 4.15Å; I745-F748 HydrophobicContact CG2-CZ 4.03Å; F748-I845 PolarHBondContact N-O 3.1Å; F748-I845 PolarHBondContact O-N 3.34Å; F748-K847 WeakPolarHBondContact CD2-O 3.39Å; F748-K847 VanDerWaalsContact CE2-O 3.26Å; F748-K847 WeakPolarHBondContact CE2-O 3.3Å; F748-V849 HydrophobicContact CE2-CB 4.46Å; F748-V849 HydrophobicContact CE2-CG2 3.68Å; F748-V849 HydrophobicContact CZ-CB 4.27Å; F748-V849 HydrophobicContact CZ-CG2 3.75Å; F748-I873 HydrophobicContact CB-CG2 4.28Å; F748-I873 HydrophobicContact CD1-CG2 4.21Å; F748-E874 CarbonylContact C-O 3.49Å; F748-E874 VanDerWaalsContact CA-O 3.25Å; F748-E874 WeakPolarHBondContact CA-O 3.45Å; F748-A875 HydrophobicContact CD1-CB 3.83Å; F748-A875 HydrophobicContact CE1-CB 3.71Å |
| 749 | K | 86.5 | Confident | 80.5 | Confident | 38 Ų | 38 | 53 Ų | 53 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.1 | 173 | 169.3 | 172.7 | 172.7 | -72.7 | 0 | 107.3 | N751 I843 I873 E874 F876 L886 | K749-N751 WeakPolarHBondContact CE-OD1 3.42Å; K749-N751 WeakPolarHBondContact CG-OD1 3.4Å; K749-N751 PolarHBondContact NZ-ND2 2.81Å; K749-N751 PolarHBondContact NZ-OD1 2.81Å; K749-I843 CarbonylContact C-O 3.53Å; K749-I843 WeakPolarHBondContact CA-O 3.41Å; K749-I873 WeakPolarHBondContact O-CA 3.34Å; K749-E874 HydrophobicContact CB-CB 4.38Å; K749-E874 PolarHBondContact N-O 3.01Å; K749-E874 IonicContact NZ-OE2 2.77Å; K749-E874 PolarHBondContact NZ-OE2 3.36Å; K749-E874 PolarHBondContact O-N 2.9Å; K749-F876 HydrophobicContact CB-CD1 4.33Å; K749-L886 HydrophobicContact CD-CD2 4.37Å |
| 750 | I | 87.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.2 | 171.6 | -51.2 | -180 | 0 | 0 | 0 | 107.7 | V731 W733 V752 I843 I845 A858 I860 I873 | V731-I750 HydrophobicContact CB-CD1 4.39Å; V731-I750 HydrophobicContact CG1-CD1 4.29Å; W733-I750 HydrophobicContact CH2-CD1 3.92Å; W733-I750 HydrophobicContact CZ3-CD1 3.8Å; I750-V752 HydrophobicContact CG2-CG2 4.08Å; I750-I843 HydrophobicContact CB-CB 4.33Å; I750-I843 PolarHBondContact N-O 3.44Å; I750-I843 PolarHBondContact O-N 2.93Å; I750-I845 HydrophobicContact CD1-CD1 3.6Å; I750-I845 HydrophobicContact CG1-CD1 4.12Å; I750-A858 HydrophobicContact CD1-CB 3.78Å; I750-I860 HydrophobicContact CD1-CD1 4.34Å; I750-I860 HydrophobicContact CG2-CD1 3.98Å; I750-I873 HydrophobicContact CG1-CG1 4.36Å; I750-I873 HydrophobicContact CG1-CG2 4.48Å; I750-I873 HydrophobicContact CG2-CG1 4.39Å |
| 751 | N | 84.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.6 | 175.9 | -58.7 | -39 | 0 | 0 | 0 | 108 | K749 N842 T871 D872 E874 | K749-N751 WeakPolarHBondContact CE-OD1 3.42Å; K749-N751 WeakPolarHBondContact CG-OD1 3.4Å; K749-N751 PolarHBondContact NZ-ND2 2.81Å; K749-N751 PolarHBondContact NZ-OD1 2.81Å; N751-N842 PolarHBondContact OD1-OD1 3.45Å; N751-N842 VanDerWaalsContact OD1-OD1 3.09Å; N751-T871 WeakPolarHBondContact O-CA 3.28Å; N751-T871 WeakPolarHBondContact O-CB 3.32Å; N751-D872 PolarHBondContact N-O 2.81Å; N751-D872 PolarHBondContact ND2-OD1 3.07Å; N751-D872 PolarHBondContact O-N 2.91Å; N751-D872 VanDerWaalsContact O-N 3.15Å; N751-E874 PolarHBondContact ND2-OE2 2.81Å |
| 752 | V | 83.9 | Confident | 78.9 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.3 | 177 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | I750 Q841 I843 I860 L863 Y869 T871 | I750-V752 HydrophobicContact CG2-CG2 4.08Å; V752-Q841 HydrophobicContact CB-CB 4.26Å; V752-Q841 PolarHBondContact N-O 3.04Å; V752-Q841 PolarHBondContact O-N 3.26Å; V752-I843 HydrophobicContact CG2-CD1 4.25Å; V752-I860 HydrophobicContact CG2-CD1 3.72Å; V752-I860 HydrophobicContact CG2-CG2 4.39Å; V752-L863 HydrophobicContact CG1-CD2 4.41Å; V752-Y869 HydrophobicContact CG1-CD1 3.73Å; V752-Y869 HydrophobicContact CG1-CE1 4.36Å; V752-Y869 HydrophobicContact CG1-CG 4.44Å; V752-T871 HydrophobicContact CB-CG2 4.34Å; V752-T871 HydrophobicContact CG1-CG2 4.14Å; V752-T871 HydrophobicContact CG2-CG2 3.92Å |
| 753 | R | 82.3 | Confident | 78.2 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.5 | 171.3 | 63.6 | -178.7 | -178.6 | -153.5 | -1.8 | 111.9 | V755 F840 Y869 E870 | R753-V755 HydrophobicContact CG-CG1 4.02Å; R753-F840 HydrophobicContact CB-CD1 4.34Å; R753-F840 HydrophobicContact CB-CE1 4.13Å; R753-Y869 WeakPolarHBondContact O-CA 3.2Å; R753-E870 HydrophobicContact CG-CB 4.07Å; R753-E870 IonicContact CZ-OE2 2.66Å; R753-E870 PolarHBondContact N-O 2.8Å; R753-E870 IonicContact NE-OE2 3.19Å; R753-E870 PolarHBondContact NE-OE2 3.32Å; R753-E870 IonicContact NH2-OE1 3.63Å; R753-E870 IonicContact NH2-OE2 3.63Å; R753-E870 PolarHBondContact NH2-OE2 2.86Å; R753-E870 PolarHBondContact O-N 2.87Å |
| 754 | S | 77.5 | Confident | 77.2 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 54% | 0.538 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 137.9 | 165 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 755 | V | 78.1 | Confident | 75.8 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.1 | 178.4 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | R753 M757 R759 C868 E870 L894 | R753-V755 HydrophobicContact CG-CG1 4.02Å; V755-M757 PolarHBondContact O-N 3.15Å; V755-R759 HydrophobicContact CG2-CB 4.29Å; V755-C868 HydrophobicContact CG2-CB 4.05Å; V755-C868 WeakPolarHBondContact CG2-SG 2.95Å; V755-C868 PolarHBondContact N-O 3.18Å; V755-E870 HydrophobicContact CG1-CB 3.78Å; V755-E870 HydrophobicContact CG2-CB 4.39Å; V755-L894 HydrophobicContact CG2-CD2 3.8Å |
| 756 | P | 74 | Confident | 74 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | trans | -55.8 | 134.8 | 177.3 | -26.9 | 35.9 | 0 | 0 | 0 | 112.1 | S758 R759 | P756-S758 PolarHBondContact O-N 3.4Å; P756-R759 WeakPolarHBondContact O-CB 3.19Å; P756-R759 PolarHBondContact O-N 3.15Å | ||
| 757 | M | 70 | Confident | 72 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 23% | 0.232 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.8 | -27.9 | -177.8 | -174.9 | 56.9 | 147.4 | 0 | 0 | 113.6 | V755 R759 C760 I761 F866 C868 L896 | V755-M757 PolarHBondContact O-N 3.15Å; M757-R759 PolarHBondContact O-N 3.25Å; M757-R759 VanDerWaalsContact O-N 3.15Å; M757-C760 PolarHBondContact O-N 2.73Å; M757-C760 HydrophobicContact SD-CB 4.14Å; M757-I761 HydrophobicContact CG-CD1 4.18Å; M757-I761 WeakPolarHBondContact O-CG1 3.38Å; M757-I761 PolarHBondContact O-N 3.32Å; M757-F866 HydrophobicContact CE-CD1 4.08Å; M757-F866 HydrophobicContact CE-CD2 4.15Å; M757-F866 HydrophobicContact CE-CE1 3.67Å; M757-F866 HydrophobicContact CE-CE2 3.75Å; M757-F866 HydrophobicContact CE-CG 4.3Å; M757-F866 HydrophobicContact CE-CZ 3.5Å; M757-C868 HydrophobicContact SD-CB 4.09Å; M757-L896 HydrophobicContact CE-CD1 3.62Å; M757-L896 HydrophobicContact CE-CD2 3.82Å; M757-L896 HydrophobicContact CE-CG 4.4Å; M757-L896 HydrophobicContact SD-CD1 3.95Å |
| 758 | S | 70 | Confident | 69.5 | Low | 76 Ų | 76 | 60 Ų | 60 | 53% | 0.531 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55 | -27.1 | 171.7 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | P756 A762 | P756-S758 PolarHBondContact O-N 3.4Å; S758-A762 VanDerWaalsContact O-CB 3.23Å; S758-A762 WeakPolarHBondContact O-CB 3.49Å; S758-A762 PolarHBondContact O-N 3.5Å |
| 759 | R | 73.9 | Confident | 66.7 | Low | 95 Ų | 95 | 65.4 Ų | 65.4 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.1 | -38.7 | 174.3 | -68.9 | -167.4 | 64.2 | -152.2 | -9 | 112.9 | V755 P756 M757 A763 E870 L894 | V755-R759 HydrophobicContact CG2-CB 4.29Å; P756-R759 WeakPolarHBondContact O-CB 3.19Å; P756-R759 PolarHBondContact O-N 3.15Å; M757-R759 PolarHBondContact O-N 3.25Å; M757-R759 VanDerWaalsContact O-N 3.15Å; R759-A763 VanDerWaalsContact O-CB 3.27Å; R759-A763 WeakPolarHBondContact O-CB 3.39Å; R759-A763 PolarHBondContact O-N 3.21Å; R759-E870 IonicContact CZ-OE1 3.36Å; R759-E870 IonicContact CZ-OE2 2.71Å; R759-E870 VanDerWaalsContact NH1-CD 3.3Å; R759-E870 IonicContact NH1-OE1 2.7Å; R759-E870 PolarHBondContact NH1-OE1 3.07Å; R759-E870 IonicContact NH1-OE2 3.94Å; R759-E870 PolarHBondContact NH1-OE2 2.85Å; R759-E870 IonicContact NH2-OE1 3.47Å; R759-E870 PolarHBondContact NH2-OE1 2.7Å; R759-E870 IonicContact NH2-OE2 3.91Å; R759-L894 HydrophobicContact CB-CD1 4.5Å |
| 760 | C | 76.6 | Confident | 64 | Low | 13 Ų | 13 | 69.8 Ų | 69.8 | 9% | 0.088 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 171.1 | -82.8 | 0 | 0 | 0 | 0 | 110.6 | M757 A762 A763 V764 C868 | M757-C760 PolarHBondContact O-N 2.73Å; M757-C760 HydrophobicContact SD-CB 4.14Å; C760-A762 PolarHBondContact O-N 3.33Å; C760-A763 PolarHBondContact O-N 3.46Å; C760-V764 WeakPolarHBondContact O-CG2 3.3Å; C760-V764 PolarHBondContact O-N 2.79Å; C760-C868 HydrophobicContact CB-CB 3.85Å; C760-C868 WeakPolarHBondContact CB-SG 3.46Å; C760-C868 PolarHBondContact N-SG 2.94Å; C760-C868 VanDerWaalsContact N-SG 3.4Å; C760-C868 WeakPolarHBondContact SG-CB 3.5Å; C760-C868 CovalentContact SG-SG 2.03Å; C760-C868 PolarHBondContact SG-SG 3.14Å |
| 761 | I | 67.6 | Low | 61.2 | Low | 83 Ų | 83 | 80.4 Ų | 80.4 | 43% | 0.426 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58 | -51.1 | 176.4 | -63.7 | 167.7 | 0 | 0 | 0 | 110.4 | M757 A763 V764 T765 | M757-I761 HydrophobicContact CG-CD1 4.18Å; M757-I761 WeakPolarHBondContact O-CG1 3.38Å; M757-I761 PolarHBondContact O-N 3.32Å; I761-A763 VanDerWaalsContact C-N 3.31Å; I761-A763 PolarHBondContact O-N 2.78Å; I761-V764 PolarHBondContact O-N 3.19Å; I761-V764 VanDerWaalsContact O-N 3.15Å; I761-T765 WeakPolarHBondContact O-CG2 3.36Å; I761-T765 PolarHBondContact O-N 2.95Å; I761-T765 PolarHBondContact O-OG1 2.98Å |
| 762 | A | 64.4 | Low | 58.5 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61 | -35.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S758 C760 V764 T765 S766 | S758-A762 VanDerWaalsContact O-CB 3.23Å; S758-A762 WeakPolarHBondContact O-CB 3.49Å; S758-A762 PolarHBondContact O-N 3.5Å; C760-A762 PolarHBondContact O-N 3.33Å; A762-V764 VanDerWaalsContact C-N 3.35Å; A762-T765 WeakPolarHBondContact CA-OG1 3.25Å; A762-T765 PolarHBondContact O-N 3.41Å; A762-T765 PolarHBondContact O-OG1 3Å; A762-S766 WeakPolarHBondContact O-CB 3.2Å; A762-S766 PolarHBondContact O-N 3.37Å; A762-S766 PolarHBondContact O-OG 3.02Å |
| 763 | A | 66.7 | Low | 55.8 | Low | 26 Ų | 26 | 89.3 Ų | 89.3 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70.8 | -28.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | R759 C760 I761 L894 | R759-A763 VanDerWaalsContact O-CB 3.27Å; R759-A763 WeakPolarHBondContact O-CB 3.39Å; R759-A763 PolarHBondContact O-N 3.21Å; C760-A763 PolarHBondContact O-N 3.46Å; I761-A763 VanDerWaalsContact C-N 3.31Å; I761-A763 PolarHBondContact O-N 2.78Å; A763-L894 HydrophobicContact CB-CD1 3.67Å |
| 764 | V | 60.8 | Low | 53.2 | Low | 87 Ų | 87 | 90 Ų | 90 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76.4 | -42.1 | 172 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | C760 I761 A762 L810 | C760-V764 WeakPolarHBondContact O-CG2 3.3Å; C760-V764 PolarHBondContact O-N 2.79Å; I761-V764 PolarHBondContact O-N 3.19Å; I761-V764 VanDerWaalsContact O-N 3.15Å; A762-V764 VanDerWaalsContact C-N 3.35Å; V764-L810 HydrophobicContact CG1-CD2 4.43Å; V764-L810 HydrophobicContact CG2-CD2 4.44Å |
| 765 | T | 51.2 | Low | 50.8 | Low | 111 Ų | 111 | 95.2 Ų | 95.2 | 68% | 0.681 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80.2 | -16.7 | -177.2 | 60 | 0 | 0 | 0 | 0 | 114.9 | I761 A762 | I761-T765 WeakPolarHBondContact O-CG2 3.36Å; I761-T765 PolarHBondContact O-N 2.95Å; I761-T765 PolarHBondContact O-OG1 2.98Å; A762-T765 WeakPolarHBondContact CA-OG1 3.25Å; A762-T765 PolarHBondContact O-N 3.41Å; A762-T765 PolarHBondContact O-OG1 3Å |
| 766 | S | 44 | Very low | 48.4 | Very low | 86 Ų | 86 | 103.5 Ų | 103.5 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -5.7 | -176.2 | 57.7 | 0 | 0 | 0 | 0 | 115.6 | A762 P768 | A762-S766 WeakPolarHBondContact O-CB 3.2Å; A762-S766 PolarHBondContact O-N 3.37Å; A762-S766 PolarHBondContact O-OG 3.02Å; S766-P768 VanDerWaalsContact O-CD 3.3Å; S766-P768 WeakPolarHBondContact O-CD 3.45Å |
| 767 | K | 40 | Very low | 46.2 | Very low | 150 Ų | 150 | 107.2 Ų | 107.2 | 65% | 0.652 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -85.6 | 111.1 | 175.5 | -73.4 | -180 | -178.9 | 176.2 | 0 | 110.2 | ||
| 768 | P | 32.1 | Very low | 44.1 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 58% | 0.578 | 60% | 0.599 | S | S | * | * | trans | -66.2 | 149.1 | 174.3 | 28.6 | -34.8 | 0 | 0 | 0 | 110.8 | S766 N770 | S766-P768 VanDerWaalsContact O-CD 3.3Å; S766-P768 WeakPolarHBondContact O-CD 3.45Å; P768-N770 PolarHBondContact O-N 2.63Å | ||
| 769 | P | 29.5 | Very low | 42.3 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -77.3 | 42.8 | -169.8 | 33 | -38 | 0 | 0 | 0 | 114.6 | Y771 | P769-Y771 VanDerWaalsContact C-N 3.31Å; P769-Y771 PolarHBondContact O-N 3.47Å |
| 770 | N | 28.6 | Very low | 40 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | trans | -89.3 | 23 | -171.5 | -70 | 4.3 | 0 | 0 | 0 | 114.6 | P768 | P768-N770 PolarHBondContact O-N 2.63Š| ||
| 771 | Y | 29.7 | Very low | 37.7 | Very low | 224 Ų | 224 | 121.6 Ų | 121.6 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | trans | -111.7 | 32.5 | 175.4 | -91.3 | -84.1 | 0 | 0 | 0 | 113 | P769 | P769-Y771 VanDerWaalsContact C-N 3.31Å; P769-Y771 PolarHBondContact O-N 3.47Å | ||
| 772 | L | 28.1 | Very low | 35.9 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 58% | 0.576 | 69% | 0.69 | S | S | * | * | trans | -121.8 | 92.6 | 163.3 | -89 | 84.8 | 0 | 0 | 0 | 109.9 | K809 | L772-K809 HydrophobicContact CD1-CD 4.11Š| ||
| 773 | S | 26.4 | Very low | 34.1 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -144.2 | 3.6 | 173.3 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 774 | T | 27.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -131.9 | 6.9 | -175.5 | 49 | 0 | 0 | 0 | 0 | 114.5 | ||
| 775 | F | 27.6 | Very low | 30.5 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | trans | -131.9 | 92 | 168.3 | -81.7 | -83.9 | 0 | 0 | 0 | 108.6 | ||||
| 776 | H | 26.9 | Very low | 29.3 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | trans | -150.9 | 57.7 | 179.2 | -141.6 | -56.6 | 0 | 0 | 0 | 111.6 | ||||
| 777 | E | 28.1 | Very low | 28.5 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -134.2 | 131.3 | 170.8 | -115.3 | 176.7 | -150.8 | 0 | 0 | 110.3 | ||||
| 778 | N | 26.1 | Very low | 27.8 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 57.2 | 78.4 | 158.8 | -50.8 | -40.9 | 0 | 0 | 0 | 118.4 | ||
| 779 | I | 32.2 | Very low | 27.6 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | -168.2 | 143.3 | 112 | -91.5 | 150.5 | 0 | 0 | 0 | 107.5 | |||||
| 780 | G | 26.9 | Very low | 27.6 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -117.4 | -179.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 781 | D | 28.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | trans | 68.7 | 126.1 | 161.9 | -63.7 | -24.8 | 0 | 0 | 0 | 122.1 | ||||
| 782 | S | 28.2 | Very low | 27.6 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | trans | 79.7 | 149.7 | 151.1 | 77.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 783 | G | 27.6 | Very low | 27.4 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 72% | 0.715 | S | S | * | * | trans | 107.7 | 62.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 784 | S | 25.5 | Very low | 27.2 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -82.5 | 137 | 157.3 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 785 | L | 25.6 | Very low | 27.1 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | trans | -148.3 | 120.6 | 166.9 | -155.2 | 76.9 | 0 | 0 | 0 | 110.7 | ||||
| 786 | D | 26.2 | Very low | 27 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -110.2 | -173.6 | 175.7 | -105.1 | -48.3 | 0 | 0 | 0 | 109.7 | ||||
| 787 | I | 27.2 | Very low | 26.8 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 50% | 0.497 | 71% | 0.707 | S | S | . | * | trans | 87.2 | 142.4 | 159.9 | -46.5 | -171.6 | 0 | 0 | 0 | 116.6 | ||||
| 788 | Y | 25.2 | Very low | 26.7 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 40% | 0.4 | 70% | 0.703 | S | S | . | * | trans | -95.5 | 156.6 | 177.1 | -72.2 | -151.9 | 0 | 0 | 0 | 110.5 | T790 S1528 F1530 | Y788-T790 HydrophobicContact CD1-CG2 4.49Å; Y788-S1528 WeakPolarHBondContact OH-CB 3.42Å; Y788-S1528 PolarHBondContact OH-OG 2.94Å; Y788-F1530 HydrophobicContact CD1-CB 4.33Å; Y788-F1530 AromaticContact CD1-CD1 3.62Å; Y788-F1530 HydrophobicContact CD1-CD1 3.62Å; Y788-F1530 AromaticContact CD1-CD2 3.91Å; Y788-F1530 HydrophobicContact CD1-CD2 3.91Å; Y788-F1530 AromaticContact CD1-CE1 3.81Å; Y788-F1530 HydrophobicContact CD1-CE1 3.81Å; Y788-F1530 HydrophobicContact CD1-CE2 4.09Å; Y788-F1530 AromaticContact CD1-CG 3.68Å; Y788-F1530 HydrophobicContact CD1-CG 3.68Å; Y788-F1530 HydrophobicContact CD1-CZ 4.04Å; Y788-F1530 HydrophobicContact CD2-CD2 4.19Å; Y788-F1530 AromaticContact CD2-CE1 3.99Å; Y788-F1530 HydrophobicContact CD2-CE1 3.99Å; Y788-F1530 AromaticContact CD2-CE2 3.58Å; Y788-F1530 HydrophobicContact CD2-CE2 3.58Å; Y788-F1530 AromaticContact CD2-CZ 3.47Å; Y788-F1530 HydrophobicContact CD2-CZ 3.47Å; Y788-F1530 VanDerWaalsContact CD2-CZ 3.47Å; Y788-F1530 HydrophobicContact CE1-CB 3.94Å; Y788-F1530 AromaticContact CE1-CD1 3.97Å; Y788-F1530 HydrophobicContact CE1-CD1 3.97Å; Y788-F1530 AromaticContact CE1-CD2 3.45Å; Y788-F1530 HydrophobicContact CE1-CD2 3.45Å; Y788-F1530 VanDerWaalsContact CE1-CD2 3.45Å; Y788-F1530 HydrophobicContact CE1-CE1 4.36Å; Y788-F1530 AromaticContact CE1-CE2 3.89Å; Y788-F1530 HydrophobicContact CE1-CE2 3.89Å; Y788-F1530 AromaticContact CE1-CG 3.5Å; Y788-F1530 HydrophobicContact CE1-CG 3.5Å; Y788-F1530 VanDerWaalsContact CE1-CG 3.5Å; Y788-F1530 HydrophobicContact CE1-CZ 4.32Å; Y788-F1530 AromaticContact CE2-CD2 3.74Å; Y788-F1530 HydrophobicContact CE2-CD2 3.74Å; Y788-F1530 HydrophobicContact CE2-CE1 4.5Å; Y788-F1530 AromaticContact CE2-CE2 3.33Å; Y788-F1530 HydrophobicContact CE2-CE2 3.33Å; Y788-F1530 HydrophobicContact CE2-CG 4.48Å; Y788-F1530 AromaticContact CE2-CZ 3.77Å; Y788-F1530 HydrophobicContact CE2-CZ 3.77Å; Y788-F1530 AromaticContact CG-CD1 3.95Å; Y788-F1530 HydrophobicContact CG-CD1 3.95Å; Y788-F1530 HydrophobicContact CG-CD2 4.27Å; Y788-F1530 AromaticContact CG-CE1 3.62Å; Y788-F1530 HydrophobicContact CG-CE1 3.62Å; Y788-F1530 AromaticContact CG-CE2 3.96Å; Y788-F1530 HydrophobicContact CG-CE2 3.96Å; Y788-F1530 HydrophobicContact CG-CG 4.27Å; Y788-F1530 AromaticContact CG-CZ 3.62Å; Y788-F1530 HydrophobicContact CG-CZ 3.62Å; Y788-F1530 AromaticContact CZ-CD2 3.34Å; Y788-F1530 AromaticContact CZ-CE2 3.5Å; Y788-F1530 VanDerWaalsContact CZ-CE2 3.5Å; Y788-F1530 AromaticContact CZ-CG 3.93Å | ||
| 789 | D | 28.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 121 Ų | 121 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | trans | -118.3 | 146.2 | 150 | -167.4 | -7.8 | 0 | 0 | 0 | 109.4 | ||||
| 790 | T | 28.9 | Very low | 26.6 | Very low | 69 Ų | 69 | 117.3 Ų | 117.3 | 42% | 0.423 | 69% | 0.692 | S | S | . | * | trans | -139.9 | 75.6 | -176.2 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | Y788 | Y788-T790 HydrophobicContact CD1-CG2 4.49Š| ||
| 791 | N | 28.3 | Very low | 26.9 | Very low | 84 Ų | 84 | 119 Ų | 119 | 45% | 0.449 | 69% | 0.689 | S | S | . | * | trans | -149.4 | 134.4 | 172.4 | -92 | -59.2 | 0 | 0 | 0 | 115.1 | ||||
| 792 | H | 30.2 | Very low | 27.3 | Very low | 163 Ų | 163 | 118 Ų | 118 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | 44.6 | 112.3 | 153.5 | -66.4 | -73.3 | 0 | 0 | 0 | 121.9 | ||||
| 793 | G | 23.8 | Very low | 28.1 | Very low | 61 Ų | 61 | 115.1 Ų | 115.1 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | 94.7 | 119.8 | 123.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | F795 | G793-F795 PolarHBondContact O-N 2.87Š| |||
| 794 | D | 23.3 | Very low | 28.5 | Very low | 166 Ų | 166 | 112.4 Ų | 112.4 | 89% | 0.888 | 63% | 0.627 | S | S | * | * | trans | 41.2 | 70.5 | 153.4 | -61.1 | -11.4 | 0 | 0 | 0 | 118.4 | ||||
| 795 | F | 25.6 | Very low | 29.2 | Very low | 199 Ų | 199 | 113.6 Ų | 113.6 | 87% | 0.873 | 62% | 0.619 | S | S | * | * | trans | -128.5 | 152.1 | 160.7 | -91.7 | -82.8 | 0 | 0 | 0 | 114 | G793 | G793-F795 PolarHBondContact O-N 2.87Š| ||
| 796 | S | 24.3 | Very low | 29.7 | Very low | 76 Ų | 76 | 109.6 Ų | 109.6 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | trans | -76.5 | 159.8 | -170 | 46.5 | 0 | 0 | 0 | 0 | 114.4 | T798 | S796-T798 PolarHBondContact O-N 3.27Å; S796-T798 PolarHBondContact O-OG1 2.94Å; S796-T798 PolarHBondContact OG-OG1 3.4Å | ||
| 797 | F | 24 | Very low | 30 | Very low | 156 Ų | 156 | 105.5 Ų | 105.5 | 68% | 0.684 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -65.6 | 70.6 | 169.1 | -94.8 | -92.8 | 0 | 0 | 0 | 111.9 | ||
| 798 | T | 25.2 | Very low | 30.5 | Very low | 112 Ų | 112 | 104.7 Ų | 104.7 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | trans | -144.3 | 36.9 | -175.1 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | S796 | S796-T798 PolarHBondContact O-N 3.27Å; S796-T798 PolarHBondContact O-OG1 2.94Å; S796-T798 PolarHBondContact OG-OG1 3.4Å | ||
| 799 | S | 27.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 105 Ų | 105 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -150.2 | 102.8 | 170.3 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | V801 | S799-V801 PolarHBondContact O-N 2.66Š|
| 800 | S | 28.9 | Very low | 31.2 | Very low | 101 Ų | 101 | 102.8 Ų | 102.8 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | trans | 21.5 | 79.5 | 160.7 | 60.2 | 0 | 0 | 0 | 0 | 117.7 | H802 | S800-H802 VanDerWaalsContact C-N 3.32Å; S800-H802 PolarHBondContact O-N 3.23Å | ||
| 801 | V | 32.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | trans | -67.2 | 101.7 | 150.3 | -178.2 | 0 | 0 | 0 | 0 | 105.8 | S799 C803 L958 | S799-V801 PolarHBondContact O-N 2.66Å; V801-C803 PolarHBondContact O-N 3.43Å; V801-L958 HydrophobicContact CG1-CD2 3.89Å | ||
| 802 | H | 36.7 | Very low | 31.9 | Very low | 135 Ų | 135 | 105 Ų | 105 | 63% | 0.625 | 58% | 0.581 | S | S | * | * | trans | -72.3 | 106.3 | -163.6 | -140.9 | -76 | 0 | 0 | 0 | 110.1 | S800 S804 | S800-H802 VanDerWaalsContact C-N 3.32Å; S800-H802 PolarHBondContact O-N 3.23Å; H802-S804 PolarHBondContact ND1-OG 3.24Å; H802-S804 PolarHBondContact O-N 2.95Å | ||
| 803 | C | 44.8 | Very low | 32.1 | Very low | 71 Ų | 71 | 102.8 Ų | 102.8 | 48% | 0.48 | 57% | 0.571 | S | S | . | * | trans | -76.1 | 53.1 | -178.7 | -82.1 | 0 | 0 | 0 | 0 | 113.3 | V801 C1004 | V801-C803 PolarHBondContact O-N 3.43Å; C803-C1004 WeakPolarHBondContact CA-SG 3Å; C803-C1004 HydrophobicContact CB-CB 3.66Å; C803-C1004 WeakPolarHBondContact CB-SG 3.47Å; C803-C1004 WeakPolarHBondContact SG-CA 3.16Å; C803-C1004 WeakPolarHBondContact SG-CB 3.32Å; C803-C1004 CovalentContact SG-SG 2.04Å; C803-C1004 PolarHBondContact SG-SG 2.85Å | ||
| 804 | S | 36.8 | Very low | 32.4 | Very low | 22 Ų | 22 | 103.1 Ų | 103.1 | 15% | 0.154 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -139.1 | 137 | 175.6 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | H802 T806 | H802-S804 PolarHBondContact ND1-OG 3.24Å; H802-S804 PolarHBondContact O-N 2.95Å; S804-T806 PolarHBondContact O-N 3.12Å; S804-T806 PolarHBondContact O-OG1 3.22Å; S804-T806 PolarHBondContact OG-OG1 3.45Å |
| 805 | F | 41 | Very low | 32.9 | Very low | 134 Ų | 134 | 98.5 Ų | 98.5 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | trans | -70.9 | 83.4 | 154.5 | -80 | -99.5 | 0 | 0 | 0 | 107.3 | S807 F866 | F805-S807 VanDerWaalsContact C-N 3.29Å; F805-S807 PolarHBondContact O-N 2.83Å; F805-F866 AromaticContact CE2-CE2 3.95Å; F805-F866 HydrophobicContact CE2-CE2 3.95Å; F805-F866 HydrophobicContact CE2-CZ 4.06Å; F805-F866 HydrophobicContact CZ-CE2 4.37Å; F805-F866 HydrophobicContact CZ-CZ 4.08Å | ||
| 806 | T | 36 | Very low | 33.3 | Very low | 88 Ų | 88 | 95 Ų | 95 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | trans | -75.6 | 70.8 | -162.1 | -24.9 | 0 | 0 | 0 | 0 | 113.8 | S804 P808 | S804-T806 PolarHBondContact O-N 3.12Å; S804-T806 PolarHBondContact O-OG1 3.22Å; S804-T806 PolarHBondContact OG-OG1 3.45Å; T806-P808 HydrophobicContact CG2-CG 4.29Å | ||
| 807 | S | 31.1 | Very low | 33.5 | Very low | 56 Ų | 56 | 95.4 Ų | 95.4 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | trans | -94.2 | 108.2 | 136 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | F805 K809 L810 L811 | F805-S807 VanDerWaalsContact C-N 3.29Å; F805-S807 PolarHBondContact O-N 2.83Å; S807-K809 PolarHBondContact O-N 3.04Å; S807-K809 VanDerWaalsContact O-N 3.15Å; S807-L810 PolarHBondContact O-N 3.41Å; S807-L811 PolarHBondContact O-N 2.85Å | ||
| 808 | P | 38 | Very low | 33.9 | Very low | 80 Ų | 80 | 91.3 Ų | 91.3 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -51.4 | -38.5 | 176.9 | -28.6 | 36.1 | 0 | 0 | 0 | 111.6 | T806 L810 L811 E812 | T806-P808 HydrophobicContact CG2-CG 4.29Å; P808-L810 VanDerWaalsContact C-N 3.28Å; P808-L810 PolarHBondContact O-N 3.42Å; P808-L811 CarbonylContact O-C 3.53Å; P808-L811 PolarHBondContact O-N 2.97Å; P808-L811 VanDerWaalsContact O-N 3.15Å; P808-E812 WeakPolarHBondContact O-CB 3.42Å; P808-E812 VanDerWaalsContact O-CG 3.32Å; P808-E812 WeakPolarHBondContact O-CG 3.48Å; P808-E812 PolarHBondContact O-N 3.14Å |
| 809 | K | 32.9 | Very low | 34.1 | Very low | 108 Ų | 108 | 91.8 Ų | 91.8 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -26.3 | 178.7 | -64.1 | -178 | 177 | -178 | 0 | 114.4 | L772 S807 Q813 | L772-K809 HydrophobicContact CD1-CD 4.11Å; S807-K809 PolarHBondContact O-N 3.04Å; S807-K809 VanDerWaalsContact O-N 3.15Å; K809-Q813 VanDerWaalsContact O-CG 3.29Å; K809-Q813 WeakPolarHBondContact O-CG 3.22Å; K809-Q813 PolarHBondContact O-N 3.07Å |
| 810 | L | 36.1 | Very low | 34.2 | Very low | 80 Ų | 80 | 90.1 Ų | 90.1 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.3 | -42 | 174.1 | -155.1 | 77.6 | 0 | 0 | 0 | 110.4 | V764 S807 P808 Q813 T814 | V764-L810 HydrophobicContact CG1-CD2 4.43Å; V764-L810 HydrophobicContact CG2-CD2 4.44Å; S807-L810 PolarHBondContact O-N 3.41Å; P808-L810 VanDerWaalsContact C-N 3.28Å; P808-L810 PolarHBondContact O-N 3.42Å; L810-Q813 PolarHBondContact O-N 3.14Å; L810-T814 PolarHBondContact O-N 3.1Å; L810-T814 PolarHBondContact O-OG1 3.23Å |
| 811 | L | 36.7 | Very low | 34 | Very low | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 178.7 | -164.7 | 67.7 | 0 | 0 | 0 | 112.1 | S807 P808 T814 V815 | S807-L811 PolarHBondContact O-N 2.85Å; P808-L811 CarbonylContact O-C 3.53Å; P808-L811 PolarHBondContact O-N 2.97Å; P808-L811 VanDerWaalsContact O-N 3.15Å; L811-T814 CarbonylContact O-C 3.53Å; L811-T814 PolarHBondContact O-N 3.46Å; L811-V815 HydrophobicContact CG-CG2 4.35Å; L811-V815 WeakPolarHBondContact O-CB 3.11Å; L811-V815 VanDerWaalsContact O-CG2 3.28Å; L811-V815 WeakPolarHBondContact O-CG2 3.1Å; L811-V815 PolarHBondContact O-N 3.34Å |
| 812 | E | 35.1 | Very low | 33.7 | Very low | 113 Ų | 113 | 93.3 Ų | 93.3 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 170.1 | -77.1 | 179.9 | 122.4 | 0 | 0 | 111.1 | P808 T814 V815 L816 | P808-E812 WeakPolarHBondContact O-CB 3.42Å; P808-E812 VanDerWaalsContact O-CG 3.32Å; P808-E812 WeakPolarHBondContact O-CG 3.48Å; P808-E812 PolarHBondContact O-N 3.14Å; E812-T814 VanDerWaalsContact C-N 3.33Å; E812-T814 PolarHBondContact O-N 3.41Å; E812-V815 PolarHBondContact O-N 3.04Å; E812-L816 WeakPolarHBondContact O-CB 3.26Å; E812-L816 VanDerWaalsContact O-CG 3.23Å; E812-L816 WeakPolarHBondContact O-CG 3.49Å; E812-L816 PolarHBondContact O-N 3.24Å |
| 813 | Q | 33.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 94.1 Ų | 94.1 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.5 | -79.2 | -178.4 | -1.1 | 0 | 0 | 111.6 | K809 L810 M817 | K809-Q813 VanDerWaalsContact O-CG 3.29Å; K809-Q813 WeakPolarHBondContact O-CG 3.22Å; K809-Q813 PolarHBondContact O-N 3.07Å; L810-Q813 PolarHBondContact O-N 3.14Å; Q813-M817 HydrophobicContact CB-CE 4.16Å; Q813-M817 VanDerWaalsContact O-CB 3.3Å; Q813-M817 WeakPolarHBondContact O-CB 3.11Å; Q813-M817 WeakPolarHBondContact O-CE 3.38Å; Q813-M817 VanDerWaalsContact O-CG 3.22Å; Q813-M817 WeakPolarHBondContact O-CG 3.44Å; Q813-M817 PolarHBondContact O-N 3.12Å; Q813-M817 VanDerWaalsContact O-N 3.14Å |
| 814 | T | 31.3 | Very low | 32.4 | Very low | 69 Ų | 69 | 94.9 Ų | 94.9 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.4 | -46.5 | 0 | 0 | 0 | 0 | 112.2 | L810 L811 E812 M817 A818 | L810-T814 PolarHBondContact O-N 3.1Å; L810-T814 PolarHBondContact O-OG1 3.23Å; L811-T814 CarbonylContact O-C 3.53Å; L811-T814 PolarHBondContact O-N 3.46Å; E812-T814 VanDerWaalsContact C-N 3.33Å; E812-T814 PolarHBondContact O-N 3.41Å; T814-M817 CarbonylContact O-C 3.56Å; T814-M817 PolarHBondContact O-N 3.04Å; T814-A818 WeakPolarHBondContact O-CB 3.33Å; T814-A818 PolarHBondContact O-N 3Å |
| 815 | V | 33.2 | Very low | 32.1 | Very low | 69 Ų | 69 | 99.2 Ų | 99.2 | 42% | 0.418 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74.9 | -39.1 | -176.8 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | L811 E812 M817 A818 N819 | L811-V815 HydrophobicContact CG-CG2 4.35Å; L811-V815 WeakPolarHBondContact O-CB 3.11Å; L811-V815 VanDerWaalsContact O-CG2 3.28Å; L811-V815 WeakPolarHBondContact O-CG2 3.1Å; L811-V815 PolarHBondContact O-N 3.34Å; E812-V815 PolarHBondContact O-N 3.04Å; V815-M817 PolarHBondContact O-N 2.9Å; V815-A818 CarbonylContact O-C 3.47Å; V815-A818 PolarHBondContact O-N 2.87Å; V815-A818 VanDerWaalsContact O-N 3.15Å; V815-N819 WeakPolarHBondContact O-CB 3.35Å; V815-N819 PolarHBondContact O-N 3.13Å |
| 816 | L | 34.1 | Very low | 31.6 | Very low | 126 Ų | 126 | 97 Ų | 97 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.3 | -30 | 171.5 | -70.8 | 167.4 | 0 | 0 | 0 | 111.7 | E812 A820 | E812-L816 WeakPolarHBondContact O-CB 3.26Å; E812-L816 VanDerWaalsContact O-CG 3.23Å; E812-L816 WeakPolarHBondContact O-CG 3.49Å; E812-L816 PolarHBondContact O-N 3.24Å; L816-A820 PolarHBondContact O-N 3.16Å |
| 817 | M | 29.1 | Very low | 31.6 | Very low | 84 Ų | 84 | 96.2 Ų | 96.2 | 41% | 0.414 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -81.2 | -19.7 | 172.2 | -70.6 | -171.5 | -74.7 | 0 | 0 | 113.9 | R722 Q813 T814 V815 | R722-M817 PolarHBondContact NH1-SD 3.38Å; R722-M817 PolarHBondContact NH2-SD 3.01Å; Q813-M817 HydrophobicContact CB-CE 4.16Å; Q813-M817 VanDerWaalsContact O-CB 3.3Å; Q813-M817 WeakPolarHBondContact O-CB 3.11Å; Q813-M817 WeakPolarHBondContact O-CE 3.38Å; Q813-M817 VanDerWaalsContact O-CG 3.22Å; Q813-M817 WeakPolarHBondContact O-CG 3.44Å; Q813-M817 PolarHBondContact O-N 3.12Å; Q813-M817 VanDerWaalsContact O-N 3.14Å; T814-M817 CarbonylContact O-C 3.56Å; T814-M817 PolarHBondContact O-N 3.04Å; V815-M817 PolarHBondContact O-N 2.9Å |
| 818 | A | 32.2 | Very low | 32 | Very low | 70 Ų | 70 | 103.3 Ų | 103.3 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -87.3 | -25.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | T814 V815 | T814-A818 WeakPolarHBondContact O-CB 3.33Å; T814-A818 PolarHBondContact O-N 3Å; V815-A818 CarbonylContact O-C 3.47Å; V815-A818 PolarHBondContact O-N 2.87Å; V815-A818 VanDerWaalsContact O-N 3.15Å |
| 819 | N | 30.1 | Very low | 32.3 | Very low | 122 Ų | 122 | 103.5 Ų | 103.5 | 65% | 0.652 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -87.4 | -2.4 | 174.8 | -74.9 | -12.5 | 0 | 0 | 0 | 113.5 | V815 N821 | V815-N819 WeakPolarHBondContact O-CB 3.35Å; V815-N819 PolarHBondContact O-N 3.13Å; N819-N821 PolarHBondContact O-N 2.92Å |
| 820 | A | 28.1 | Very low | 32.8 | Very low | 65 Ų | 65 | 100.1 Ų | 100.1 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -63 | 120.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | L816 | L816-A820 PolarHBondContact O-N 3.16Š|
| 821 | N | 24.7 | Very low | 33.6 | Very low | 142 Ų | 142 | 99.2 Ų | 99.2 | 76% | 0.759 | 56% | 0.558 | S | S | * | * | trans | -35.7 | 135.3 | -174.8 | -79.2 | -26.5 | 0 | 0 | 0 | 112.1 | N819 L823 | N819-N821 PolarHBondContact O-N 2.92Å; N821-L823 PolarHBondContact O-N 2.9Å | ||
| 822 | P | 25.4 | Very low | 33.5 | Very low | 123 Ų | 123 | 101 Ų | 101 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | trans | -56.5 | 103.7 | 176.9 | 24.6 | -33.7 | 0 | 0 | 0 | 108.2 | S824 | P822-S824 PolarHBondContact O-N 2.84Š| ||
| 823 | L | 27.7 | Very low | 34.5 | Very low | 152 Ų | 152 | 97.3 Ų | 97.3 | 80% | 0.796 | 55% | 0.545 | S | S | * | . | trans | -60.6 | 110.8 | -174.9 | -87.8 | 167.9 | 0 | 0 | 0 | 106.7 | N821 V825 | N821-L823 PolarHBondContact O-N 2.9Å; L823-V825 PolarHBondContact O-N 2.02Å; L823-V825 VanDerWaalsContact O-N 3.16Å | ||
| 824 | S | 26.9 | Very low | 35 | Very low | 87 Ų | 87 | 94.5 Ų | 94.5 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | trans | -50.9 | 126.5 | 178.8 | 53.6 | 0 | 0 | 0 | 0 | 108 | P822 S826 | P822-S824 PolarHBondContact O-N 2.84Å; S824-S826 PolarHBondContact O-N 2.85Å; S824-S826 PolarHBondContact O-OG 2.81Å; S824-S826 VanDerWaalsContact O-OG 3.13Å; S824-S826 PolarHBondContact OG-OG 3.08Å | ||
| 825 | V | 31.8 | Very low | 35.6 | Very low | 113 Ų | 113 | 92.3 Ų | 92.3 | 69% | 0.685 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 73.3 | -175.1 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | L823 Y832 | L823-V825 PolarHBondContact O-N 2.02Å; L823-V825 VanDerWaalsContact O-N 3.16Å; V825-Y832 HydrophobicContact CG1-CE2 3.89Å; V825-Y832 WeakPolarHBondContact CG1-OH 3.3Å |
| 826 | S | 29.5 | Very low | 35.9 | Very low | 87 Ų | 87 | 95.1 Ų | 95.1 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | -3.2 | 179.7 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | S824 K828 | S824-S826 PolarHBondContact O-N 2.85Å; S824-S826 PolarHBondContact O-OG 2.81Å; S824-S826 VanDerWaalsContact O-OG 3.13Å; S824-S826 PolarHBondContact OG-OG 3.08Å; S826-K828 PolarHBondContact O-N 2.8Å |
| 827 | D | 36.7 | Very low | 36.1 | Very low | 72 Ų | 72 | 94 Ų | 94 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | trans | -70.4 | 93.5 | 170.3 | -167.4 | 28.2 | 0 | 0 | 0 | 108.3 | D829 V830 K857 | D827-D829 PolarHBondContact O-N 3.31Å; D827-V830 HydrophobicContact CB-CG2 4.42Å; D827-V830 PolarHBondContact O-N 3.11Å; D827-K857 IonicContact OD2-NZ 3.5Å; D827-K857 PolarHBondContact OD2-NZ 2.7Å | ||
| 828 | K | 39.7 | Very low | 36.8 | Very low | 206 Ų | 206 | 96.9 Ų | 96.9 | 90% | 0.896 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -7.2 | -172.4 | -67.6 | -176.9 | 177.1 | -179.9 | 0 | 114.5 | S826 | S826-K828 PolarHBondContact O-N 2.8Š|
| 829 | D | 44.1 | Very low | 37.4 | Very low | 84 Ų | 84 | 97.6 Ų | 97.6 | 45% | 0.449 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -6.6 | -179.1 | -86.1 | -60.7 | 0 | 0 | 0 | 115.1 | D827 K847 | D827-D829 PolarHBondContact O-N 3.31Å; D829-K847 PolarHBondContact O-NZ 3.38Å; D829-K847 IonicContact OD1-NZ 2.68Å; D829-K847 PolarHBondContact OD1-NZ 2.98Å |
| 830 | V | 43.4 | Very low | 38.1 | Very low | 36 Ų | 36 | 99.4 Ų | 99.4 | 22% | 0.218 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -91.7 | 119.5 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | D827 Y832 K857 V859 | D827-V830 HydrophobicContact CB-CG2 4.42Å; D827-V830 PolarHBondContact O-N 3.11Å; V830-Y832 HydrophobicContact CG1-CD2 4.42Å; V830-Y832 HydrophobicContact CG1-CE2 4.12Å; V830-K857 HydrophobicContact CG2-CB 4.48Å; V830-K857 HydrophobicContact CG2-CD 4.08Å; V830-V859 HydrophobicContact CG1-CG2 3.7Å |
| 831 | I | 52 | Low | 39.5 | Very low | 62 Ų | 62 | 97.3 Ų | 97.3 | 32% | 0.318 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.8 | 175.1 | -64.4 | 167.2 | 0 | 0 | 0 | 108.8 | V833 I845 K847 V859 | I831-V833 HydrophobicContact CG2-CG2 4.08Å; I831-I845 HydrophobicContact CD1-CG2 3.58Å; I831-K847 HydrophobicContact CD1-CB 4.46Å; I831-K847 HydrophobicContact CD1-CD 4.39Å; I831-V859 PolarHBondContact O-N 3.42Å |
| 832 | Y | 35.1 | Very low | 41.5 | Very low | 122 Ų | 122 | 95 Ų | 95 | 48% | 0.478 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.1 | 172.4 | -76.9 | -95.8 | 0 | 0 | 0 | 110.1 | V825 V830 V859 | V825-Y832 HydrophobicContact CG1-CE2 3.89Å; V825-Y832 WeakPolarHBondContact CG1-OH 3.3Å; V830-Y832 HydrophobicContact CG1-CD2 4.42Å; V830-Y832 HydrophobicContact CG1-CE2 4.12Å; Y832-V859 HydrophobicContact CD1-CB 3.91Å; Y832-V859 HydrophobicContact CD1-CG1 3.84Å; Y832-V859 HydrophobicContact CE1-CB 4.07Å; Y832-V859 HydrophobicContact CE1-CG1 3.87Å; Y832-V859 HydrophobicContact CE1-CG2 4.24Å; Y832-V859 HydrophobicContact CG-CB 4.39Å |
| 833 | V | 55 | Low | 43.7 | Very low | 36 Ų | 36 | 89.5 Ų | 89.5 | 22% | 0.218 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 106 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | I831 T835 I843 V859 G861 | I831-V833 HydrophobicContact CG2-CG2 4.08Å; V833-T835 HydrophobicContact CG1-CG2 4.16Å; V833-I843 HydrophobicContact CB-CG2 4.13Å; V833-I843 HydrophobicContact CG1-CD1 4.45Å; V833-I843 HydrophobicContact CG1-CG1 4.24Å; V833-I843 HydrophobicContact CG1-CG2 3.96Å; V833-I843 HydrophobicContact CG2-CG2 3.84Å; V833-V859 PolarHBondContact N-O 3.36Å; V833-G861 PolarHBondContact O-N 3.21Å |
| 834 | G | 44.1 | Very low | 45.8 | Very low | 57 Ų | 57 | 84.6 Ų | 84.6 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | trans | -80.7 | 151.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D862 | G834-D862 WeakPolarHBondContact CA-OD2 3.48Š| ||
| 835 | T | 44.6 | Very low | 47.9 | Very low | 23 Ų | 23 | 80.6 Ų | 80.6 | 14% | 0.141 | 44% | 0.443 | C | S | . | . | trans | -141.1 | 121.6 | -171.7 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | V833 D837 Q841 I843 G861 D862 | V833-T835 HydrophobicContact CG1-CG2 4.16Å; T835-D837 VanDerWaalsContact C-N 3.34Å; T835-D837 PolarHBondContact O-N 3.27Å; T835-Q841 HydrophobicContact CG2-CG 4.4Å; T835-Q841 VanDerWaalsContact OG1-CD 3.27Å; T835-Q841 PolarHBondContact OG1-NE2 3.41Å; T835-Q841 PolarHBondContact OG1-OE1 3.2Å; T835-I843 HydrophobicContact CG2-CD1 4.25Å; T835-I843 HydrophobicContact CG2-CG1 4.38Å; T835-G861 PolarHBondContact OG1-O 3.3Å; T835-D862 PolarHBondContact N-OD2 2.9Å; T835-D862 WeakPolarHBondContact O-CB 3.37Å | ||
| 836 | S | 39.9 | Very low | 49.8 | Very low | 129 Ų | 129 | 79.7 Ų | 79.7 | 90% | 0.902 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -92.4 | 15.7 | -174.8 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 837 | D | 37.8 | Very low | 51.9 | Low | 102 Ų | 102 | 77 Ų | 77 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | trans | -147.6 | 132.5 | -174.4 | -144.9 | -34.4 | 0 | 0 | 0 | 110.8 | T835 Q841 | T835-D837 VanDerWaalsContact C-N 3.34Å; T835-D837 PolarHBondContact O-N 3.27Å; D837-Q841 PolarHBondContact O-NE2 3.46Å | ||
| 838 | H | 44.1 | Very low | 53.5 | Low | 144 Ų | 144 | 77.9 Ų | 77.9 | 67% | 0.667 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -97.3 | -5.5 | -165.9 | -65.5 | -52.5 | 0 | 0 | 0 | 114.2 | D862 | H838-D862 PolarHBondContact CE1-O 3.4Š|
| 839 | S | 43.8 | Very low | 55.2 | Low | 86 Ų | 86 | 68.5 Ų | 68.5 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -110.4 | 111.7 | 179.2 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 840 | F | 45 | Very low | 56.6 | Low | 159 Ų | 159 | 66 Ų | 66 | 70% | 0.697 | 37% | 0.371 | S | S | * | . | trans | 56.9 | 91.6 | 179.5 | -70.2 | -81 | 0 | 0 | 0 | 115.6 | R753 | R753-F840 HydrophobicContact CB-CD1 4.34Å; R753-F840 HydrophobicContact CB-CE1 4.13Å | ||
| 841 | Q | 58.5 | Low | 57.9 | Low | 21 Ų | 21 | 73.3 Ų | 73.3 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 109.4 | 177.3 | -62.7 | 172.4 | -4.8 | 0 | 0 | 110.2 | V752 T835 D837 I843 | V752-Q841 HydrophobicContact CB-CB 4.26Å; V752-Q841 PolarHBondContact N-O 3.04Å; V752-Q841 PolarHBondContact O-N 3.26Å; T835-Q841 HydrophobicContact CG2-CG 4.4Å; T835-Q841 VanDerWaalsContact OG1-CD 3.27Å; T835-Q841 PolarHBondContact OG1-NE2 3.41Å; T835-Q841 PolarHBondContact OG1-OE1 3.2Å; D837-Q841 PolarHBondContact O-NE2 3.46Å; Q841-I843 HydrophobicContact CB-CD1 4.43Å; Q841-I843 HydrophobicContact CB-CG1 4.35Å |
| 842 | N | 66 | Low | 59 | Low | 94 Ų | 94 | 76.5 Ų | 76.5 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 91.5 | 170.5 | -72 | -55 | 0 | 0 | 0 | 108.8 | N751 I844 | N751-N842 PolarHBondContact OD1-OD1 3.45Å; N751-N842 VanDerWaalsContact OD1-OD1 3.09Å; N842-I844 PolarHBondContact O-N 3.08Å |
| 843 | I | 71.2 | Confident | 61 | Low | 7 Ų | 7 | 77.3 Ų | 77.3 | 4% | 0.036 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 111.7 | -173.3 | -68.9 | 168.5 | 0 | 0 | 0 | 109.8 | K749 I750 V752 V833 T835 Q841 I845 I860 | K749-I843 CarbonylContact C-O 3.53Å; K749-I843 WeakPolarHBondContact CA-O 3.41Å; I750-I843 HydrophobicContact CB-CB 4.33Å; I750-I843 PolarHBondContact N-O 3.44Å; I750-I843 PolarHBondContact O-N 2.93Å; V752-I843 HydrophobicContact CG2-CD1 4.25Å; V833-I843 HydrophobicContact CB-CG2 4.13Å; V833-I843 HydrophobicContact CG1-CD1 4.45Å; V833-I843 HydrophobicContact CG1-CG1 4.24Å; V833-I843 HydrophobicContact CG1-CG2 3.96Å; V833-I843 HydrophobicContact CG2-CG2 3.84Å; T835-I843 HydrophobicContact CG2-CD1 4.25Å; T835-I843 HydrophobicContact CG2-CG1 4.38Å; Q841-I843 HydrophobicContact CB-CD1 4.43Å; Q841-I843 HydrophobicContact CB-CG1 4.35Å; I843-I845 HydrophobicContact CG2-CD1 4.05Å; I843-I845 HydrophobicContact CG2-CG1 3.89Å; I843-I860 HydrophobicContact CD1-CB 4.24Å; I843-I860 HydrophobicContact CD1-CD1 4.07Å; I843-I860 HydrophobicContact CD1-CG1 3.89Å; I843-I860 HydrophobicContact CD1-CG2 3.56Å |
| 844 | I | 71.7 | Confident | 62.2 | Low | 50 Ų | 50 | 77.8 Ų | 77.8 | 26% | 0.256 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.6 | -179.3 | -62.7 | 159.5 | 0 | 0 | 0 | 109.4 | T347 N842 M846 F876 R884 | T347-I844 HydrophobicContact CG2-CD1 4.06Å; N842-I844 PolarHBondContact O-N 3.08Å; I844-M846 HydrophobicContact CG2-SD 4.22Å; I844-F876 HydrophobicContact CG2-CE1 3.96Å; I844-F876 HydrophobicContact CG2-CZ 3.77Å; I844-R884 VanDerWaalsContact CD1-NH1 3.35Å |
| 845 | I | 72.4 | Confident | 64.1 | Low | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.015 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 104.9 | -175.4 | -55.4 | -174.1 | 0 | 0 | 0 | 109 | W733 G747 F748 I750 I831 I843 K847 A858 | W733-I845 HydrophobicContact CH2-CD1 4.06Å; G747-I845 CarbonylContact C-O 3.5Å; G747-I845 WeakPolarHBondContact CA-O 3.29Å; F748-I845 PolarHBondContact N-O 3.1Å; F748-I845 PolarHBondContact O-N 3.34Å; I750-I845 HydrophobicContact CD1-CD1 3.6Å; I750-I845 HydrophobicContact CG1-CD1 4.12Å; I831-I845 HydrophobicContact CD1-CG2 3.58Å; I843-I845 HydrophobicContact CG2-CD1 4.05Å; I843-I845 HydrophobicContact CG2-CG1 3.89Å; I845-K847 VanDerWaalsContact C-N 3.26Å; I845-K847 HydrophobicContact CG2-CB 4Å; I845-K847 PolarHBondContact O-N 2.73Å; I845-A858 HydrophobicContact CD1-CB 3.4Å |
| 846 | M | 71 | Confident | 66 | Low | 94 Ų | 94 | 77.8 Ų | 77.8 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | trans | -74.9 | 76 | 176.4 | -58.1 | -55.6 | -61.8 | 0 | 0 | 110.5 | V348 D746 I844 F876 | V348-M846 HydrophobicContact CG1-CG 4.34Å; V348-M846 HydrophobicContact CG2-CG 4.25Å; V348-M846 HydrophobicContact CG2-SD 4.28Å; D746-M846 HydrophobicContact CB-CE 4.18Å; I844-M846 HydrophobicContact CG2-SD 4.22Å; M846-F876 HydrophobicContact CE-CE2 4.41Å; M846-F876 HydrophobicContact SD-CE2 4.06Å; M846-F876 HydrophobicContact SD-CZ 3.66Å | ||
| 847 | K | 72.9 | Confident | 68.2 | Low | 31 Ų | 31 | 74.8 Ų | 74.8 | 14% | 0.135 | 38% | 0.383 | C | S | . | . | trans | -132.5 | 116 | 177.9 | -175 | 161.3 | -173.4 | 155.2 | 0 | 110.3 | F748 D829 I831 I845 A856 | F748-K847 WeakPolarHBondContact CD2-O 3.39Å; F748-K847 VanDerWaalsContact CE2-O 3.26Å; F748-K847 WeakPolarHBondContact CE2-O 3.3Å; D829-K847 PolarHBondContact O-NZ 3.38Å; D829-K847 IonicContact OD1-NZ 2.68Å; D829-K847 PolarHBondContact OD1-NZ 2.98Å; I831-K847 HydrophobicContact CD1-CB 4.46Å; I831-K847 HydrophobicContact CD1-CD 4.39Å; I845-K847 VanDerWaalsContact C-N 3.26Å; I845-K847 HydrophobicContact CG2-CB 4Å; I845-K847 PolarHBondContact O-N 2.73Å; K847-A856 HydrophobicContact CD-CB 4.35Å | ||
| 848 | S | 70.5 | Confident | 70.5 | Confident | 90 Ų | 90 | 70 Ų | 70 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | trans | -75.8 | 159.2 | 170.3 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 849 | V | 75.2 | Confident | 72.4 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | trans | -132.2 | 137.6 | -178.6 | 158 | 0 | 0 | 0 | 0 | 109.5 | A735 L742 F748 A856 | A735-V849 HydrophobicContact CB-CG1 4.21Å; L742-V849 HydrophobicContact CD2-CG1 4.34Å; F748-V849 HydrophobicContact CE2-CB 4.46Å; F748-V849 HydrophobicContact CE2-CG2 3.68Å; F748-V849 HydrophobicContact CZ-CB 4.27Å; F748-V849 HydrophobicContact CZ-CG2 3.75Å; V849-A856 HydrophobicContact CG2-CB 4.46Å | ||
| 850 | S | 73.5 | Confident | 74.3 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | trans | -109.4 | 171 | 174.8 | 91.6 | 0 | 0 | 0 | 0 | 111.4 | D852 H853 P854 | S850-D852 PolarHBondContact O-N 2.93Å; S850-D852 PolarHBondContact OG-N 3.41Å; S850-D852 VanDerWaalsContact OG-N 3.1Å; S850-D852 PolarHBondContact OG-OD2 2.88Å; S850-H853 CarbonylContact O-C 3.54Å; S850-H853 VanDerWaalsContact O-C 3.22Å; S850-H853 PolarHBondContact O-N 3.45Å; S850-H853 PolarHBondContact OG-N 2.89Å; S850-H853 VanDerWaalsContact OG-N 3.08Å; S850-P854 WeakPolarHBondContact O-CA 3.41Å | ||
| 851 | R | 71.8 | Confident | 76 | Confident | 189 Ų | 189 | 52 Ų | 52 | 71% | 0.713 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -64 | -27.2 | 173.3 | -159.6 | -178.6 | -166.2 | -171.7 | 4.4 | 112.6 | ||
| 852 | D | 74.8 | Confident | 76.9 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 68% | 0.684 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -86.8 | -32.4 | -177.7 | -25.6 | -80.2 | 0 | 0 | 0 | 111.2 | S850 P854 | S850-D852 PolarHBondContact O-N 2.93Å; S850-D852 PolarHBondContact OG-N 3.41Å; S850-D852 VanDerWaalsContact OG-N 3.1Å; S850-D852 PolarHBondContact OG-OD2 2.88Å; D852-P854 VanDerWaalsContact O-CD 3.29Å; D852-P854 WeakPolarHBondContact O-CD 3.15Å |
| 853 | H | 76.4 | Confident | 77.7 | Confident | 139 Ų | 139 | 50.6 Ų | 50.6 | 64% | 0.644 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -119.1 | 67 | 175.2 | -59.2 | 82.4 | 0 | 0 | 0 | 110.6 | S850 V855 | S850-H853 CarbonylContact O-C 3.54Å; S850-H853 VanDerWaalsContact O-C 3.22Å; S850-H853 PolarHBondContact O-N 3.45Å; S850-H853 PolarHBondContact OG-N 2.89Å; S850-H853 VanDerWaalsContact OG-N 3.08Å; H853-V855 PolarHBondContact O-N 3.13Å |
| 854 | P | 81.1 | Confident | 78.1 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | trans | -74.9 | -4.6 | -173.2 | 30.6 | -36.4 | 0 | 0 | 0 | 114.5 | A734 A735 S850 D852 | A734-P854 CarbonylContact C-O 3.55Å; A734-P854 VanDerWaalsContact CA-O 3.24Å; A734-P854 WeakPolarHBondContact CA-O 3.39Å; A735-P854 PolarHBondContact N-O 2.93Å; S850-P854 WeakPolarHBondContact O-CA 3.41Å; D852-P854 VanDerWaalsContact O-CD 3.29Å; D852-P854 WeakPolarHBondContact O-CD 3.15Å | ||
| 855 | V | 83.2 | Confident | 78.7 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 47% | 0.473 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.6 | -170.6 | -178.2 | 0 | 0 | 0 | 0 | 111 | W733 A734 H853 | W733-V855 WeakPolarHBondContact O-CA 3.31Å; A734-V855 HydrophobicContact CB-CG2 4.23Å; H853-V855 PolarHBondContact O-N 3.13Å |
| 856 | A | 84.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 159.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S732 W733 K847 V849 | S732-A856 VanDerWaalsContact CA-O 3.31Å; S732-A856 WeakPolarHBondContact CA-O 3.44Å; W733-A856 HydrophobicContact CD2-CB 4.11Å; W733-A856 HydrophobicContact CH2-CB 3.89Å; W733-A856 HydrophobicContact CZ2-CB 3.41Å; W733-A856 VanDerWaalsContact CZ2-CB 3.41Å; W733-A856 HydrophobicContact CZ3-CB 4.43Å; W733-A856 PolarHBondContact N-O 3.25Å; W733-A856 VanDerWaalsContact N-O 3.08Å; W733-A856 PolarHBondContact O-N 2.78Å; K847-A856 HydrophobicContact CD-CB 4.35Å; V849-A856 HydrophobicContact CG2-CB 4.46Å |
| 857 | K | 87 | Confident | 79.6 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.5 | -176.8 | -55.2 | 177.5 | -167.9 | 172 | 0 | 109.6 | V731 D827 V830 | V731-K857 CarbonylContact O-C 3.54Å; V731-K857 WeakPolarHBondContact O-CA 3.4Å; D827-K857 IonicContact OD2-NZ 3.5Å; D827-K857 PolarHBondContact OD2-NZ 2.7Å; V830-K857 HydrophobicContact CG2-CB 4.48Å; V830-K857 HydrophobicContact CG2-CD 4.08Å |
| 858 | A | 85.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V731 W733 I750 I845 | V731-A858 PolarHBondContact N-O 3.38Å; V731-A858 PolarHBondContact O-N 3.1Å; W733-A858 HydrophobicContact CH2-CB 4.11Å; W733-A858 HydrophobicContact CZ3-CB 3.97Å; I750-A858 HydrophobicContact CD1-CB 3.78Å; I845-A858 HydrophobicContact CD1-CB 3.4Å |
| 859 | V | 84.1 | Confident | 80.9 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.5 | 168.2 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | L724 E728 L730 V830 I831 Y832 V833 | L724-V859 HydrophobicContact CD1-CG1 3.94Å; L724-V859 HydrophobicContact CD1-CG2 3.78Å; E728-V859 HydrophobicContact CB-CG1 4.3Å; E728-V859 HydrophobicContact CG-CG1 4.46Å; L730-V859 HydrophobicContact CD1-CG2 3.96Å; V830-V859 HydrophobicContact CG1-CG2 3.7Å; I831-V859 PolarHBondContact O-N 3.42Å; Y832-V859 HydrophobicContact CD1-CB 3.91Å; Y832-V859 HydrophobicContact CD1-CG1 3.84Å; Y832-V859 HydrophobicContact CE1-CB 4.07Å; Y832-V859 HydrophobicContact CE1-CG1 3.87Å; Y832-V859 HydrophobicContact CE1-CG2 4.24Å; Y832-V859 HydrophobicContact CG-CB 4.39Å; V833-V859 PolarHBondContact N-O 3.36Å |
| 860 | I | 84.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.6 | -177.6 | -57.7 | 179.6 | 0 | 0 | 0 | 107.3 | E728 L729 V731 I750 V752 I843 L863 | E728-I860 CarbonylContact C-O 3.52Å; E728-I860 WeakPolarHBondContact CA-O 3.5Å; L729-I860 PolarHBondContact N-O 3.22Å; L729-I860 PolarHBondContact O-N 2.63Å; V731-I860 HydrophobicContact CB-CD1 4.48Å; V731-I860 HydrophobicContact CG2-CD1 3.56Å; V731-I860 HydrophobicContact CG2-CG1 4.3Å; I750-I860 HydrophobicContact CD1-CD1 4.34Å; I750-I860 HydrophobicContact CG2-CD1 3.98Å; V752-I860 HydrophobicContact CG2-CD1 3.72Å; V752-I860 HydrophobicContact CG2-CG2 4.39Å; I843-I860 HydrophobicContact CD1-CB 4.24Å; I843-I860 HydrophobicContact CD1-CD1 4.07Å; I843-I860 HydrophobicContact CD1-CG1 3.89Å; I843-I860 HydrophobicContact CD1-CG2 3.56Å; I860-L863 HydrophobicContact CG2-CD1 4.06Å; I860-L863 HydrophobicContact CG2-CD2 4.09Å; I860-L863 HydrophobicContact CG2-CG 4.26Å |
| 861 | G | 80.2 | Confident | 82.1 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | trans | -101.5 | -177.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S727 V833 T835 L863 | S727-G861 CarbonylContact O-C 3.29Å; S727-G861 WeakPolarHBondContact O-CA 3.3Å; V833-G861 PolarHBondContact O-N 3.21Å; T835-G861 PolarHBondContact OG1-O 3.3Å; G861-L863 PolarHBondContact O-N 3.33Å | ||
| 862 | D | 77.9 | Confident | 82.9 | Confident | 80 Ų | 80 | 35.2 Ų | 35.2 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 59.1 | 27.9 | 176.2 | -51.9 | -54.8 | 0 | 0 | 0 | 115.1 | S727 G834 T835 H838 | S727-D862 PolarHBondContact O-N 3.29Å; G834-D862 WeakPolarHBondContact CA-OD2 3.48Å; T835-D862 PolarHBondContact N-OD2 2.9Å; T835-D862 WeakPolarHBondContact O-CB 3.37Å; H838-D862 PolarHBondContact CE1-O 3.4Å |
| 863 | L | 82.5 | Confident | 83.7 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 152.3 | 174.2 | -56.1 | 174.2 | 0 | 0 | 0 | 111.2 | S727 L729 V752 I860 G861 Y869 T897 | S727-L863 VanDerWaalsContact CA-O 3.28Å; S727-L863 WeakPolarHBondContact CA-O 3.09Å; S727-L863 WeakPolarHBondContact CB-O 3.22Å; S727-L863 WeakPolarHBondContact O-CB 3.36Å; S727-L863 PolarHBondContact O-N 3.17Å; S727-L863 VanDerWaalsContact O-N 3.08Å; L729-L863 HydrophobicContact CB-CD1 4.07Å; L729-L863 HydrophobicContact CD1-CD1 3.67Å; L729-L863 HydrophobicContact CG-CD1 3.52Å; V752-L863 HydrophobicContact CG1-CD2 4.41Å; I860-L863 HydrophobicContact CG2-CD1 4.06Å; I860-L863 HydrophobicContact CG2-CD2 4.09Å; I860-L863 HydrophobicContact CG2-CG 4.26Å; G861-L863 PolarHBondContact O-N 3.33Å; L863-Y869 HydrophobicContact CB-CE2 3.86Å; L863-Y869 HydrophobicContact CD1-CE2 4.42Å; L863-Y869 HydrophobicContact CD2-CD1 4.34Å; L863-Y869 HydrophobicContact CD2-CE1 3.81Å; L863-Y869 HydrophobicContact CD2-CE2 4.26Å; L863-Y869 HydrophobicContact CG-CE2 4.41Å; L863-T897 HydrophobicContact CB-CG2 4Å; L863-T897 HydrophobicContact CD1-CG2 4.22Å |
| 864 | S | 80.4 | Confident | 84.4 | Confident | 46 Ų | 46 | 23.8 Ų | 23.8 | 32% | 0.322 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -77.6 | 142.3 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | S867 Y869 T897 | S864-S867 WeakPolarHBondContact O-CB 3.46Å; S864-S867 PolarHBondContact O-OG 2.75Å; S864-S867 VanDerWaalsContact OG-CB 3.32Å; S864-S867 WeakPolarHBondContact OG-CB 3.44Å; S864-S867 PolarHBondContact OG-OG 2.83Å; S864-Y869 PolarHBondContact N-OH 2.85Å; S864-Y869 PolarHBondContact OG-OH 2.97Å; S864-Y869 VanDerWaalsContact OG-OH 3.06Å; S864-T897 PolarHBondContact O-OG1 2.78Å |
| 865 | P | 84 | Confident | 84.7 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 14% | 0.143 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 153.2 | 174.7 | -26.8 | 36 | 0 | 0 | 0 | 114.1 | S726 S867 A900 H954 | S726-P865 VanDerWaalsContact O-CA 3.28Å; S726-P865 WeakPolarHBondContact O-CA 3.32Å; P865-S867 PolarHBondContact O-N 3.07Å; P865-S867 PolarHBondContact O-OG 3.45Å; P865-A900 HydrophobicContact CB-CB 3.63Å; P865-A900 HydrophobicContact CG-CB 3.6Å; P865-H954 HydrophobicContact CB-CB 4.03Å |
| 866 | F | 81.3 | Confident | 84.9 | Confident | 39 Ų | 39 | 17.9 Ų | 17.9 | 17% | 0.171 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 34.8 | 176.5 | -164 | -115.1 | 0 | 0 | 0 | 114.9 | M757 F805 L896 T897 L898 D899 H954 A956 | M757-F866 HydrophobicContact CE-CD1 4.08Å; M757-F866 HydrophobicContact CE-CD2 4.15Å; M757-F866 HydrophobicContact CE-CE1 3.67Å; M757-F866 HydrophobicContact CE-CE2 3.75Å; M757-F866 HydrophobicContact CE-CG 4.3Å; M757-F866 HydrophobicContact CE-CZ 3.5Å; F805-F866 AromaticContact CE2-CE2 3.95Å; F805-F866 HydrophobicContact CE2-CE2 3.95Å; F805-F866 HydrophobicContact CE2-CZ 4.06Å; F805-F866 HydrophobicContact CZ-CE2 4.37Å; F805-F866 HydrophobicContact CZ-CZ 4.08Å; F866-L896 HydrophobicContact CD2-CD1 4.47Å; F866-T897 WeakPolarHBondContact CA-O 3.4Å; F866-T897 PolarHBondContact N-OG1 3.49Å; F866-L898 PolarHBondContact N-O 3Å; F866-D899 WeakPolarHBondContact CD2-OD1 3.31Å; F866-H954 WeakPolarHBondContact CB-O 3.31Å; F866-A956 HydrophobicContact CZ-CB 4.22Å |
| 867 | S | 80.3 | Confident | 84.6 | Confident | 26 Ų | 26 | 19.9 Ų | 19.9 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | trans | -113.9 | 136.9 | -172.7 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | S864 P865 Y869 L896 T897 | S864-S867 WeakPolarHBondContact O-CB 3.46Å; S864-S867 PolarHBondContact O-OG 2.75Å; S864-S867 VanDerWaalsContact OG-CB 3.32Å; S864-S867 WeakPolarHBondContact OG-CB 3.44Å; S864-S867 PolarHBondContact OG-OG 2.83Å; P865-S867 PolarHBondContact O-N 3.07Å; P865-S867 PolarHBondContact O-OG 3.45Å; S867-Y869 WeakPolarHBondContact O-CD2 3.49Å; S867-L896 WeakPolarHBondContact O-CD1 3.5Å; S867-T897 PolarHBondContact N-OG1 3.15Å; S867-T897 PolarHBondContact O-N 2.76Å; S867-T897 PolarHBondContact O-OG1 3.31Å | ||
| 868 | C | 83.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.9 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 110 | V755 M757 C760 A895 | V755-C868 HydrophobicContact CG2-CB 4.05Å; V755-C868 WeakPolarHBondContact CG2-SG 2.95Å; V755-C868 PolarHBondContact N-O 3.18Å; M757-C868 HydrophobicContact SD-CB 4.09Å; C760-C868 HydrophobicContact CB-CB 3.85Å; C760-C868 WeakPolarHBondContact CB-SG 3.46Å; C760-C868 PolarHBondContact N-SG 2.94Å; C760-C868 VanDerWaalsContact N-SG 3.4Å; C760-C868 WeakPolarHBondContact SG-CB 3.5Å; C760-C868 CovalentContact SG-SG 2.03Å; C760-C868 PolarHBondContact SG-SG 3.14Å; C868-A895 WeakPolarHBondContact CA-O 3.47Å |
| 869 | Y | 86.6 | Confident | 82.9 | Confident | 16 Ų | 16 | 18.8 Ų | 18.8 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.2 | 177.8 | -71.3 | -82.8 | 0 | 0 | 0 | 110.6 | L729 V752 R753 L863 S864 S867 L894 A895 T897 | L729-Y869 HydrophobicContact CD1-CD2 4.44Å; L729-Y869 HydrophobicContact CD1-CG 4.5Å; V752-Y869 HydrophobicContact CG1-CD1 3.73Å; V752-Y869 HydrophobicContact CG1-CE1 4.36Å; V752-Y869 HydrophobicContact CG1-CG 4.44Å; R753-Y869 WeakPolarHBondContact O-CA 3.2Å; L863-Y869 HydrophobicContact CB-CE2 3.86Å; L863-Y869 HydrophobicContact CD1-CE2 4.42Å; L863-Y869 HydrophobicContact CD2-CD1 4.34Å; L863-Y869 HydrophobicContact CD2-CE1 3.81Å; L863-Y869 HydrophobicContact CD2-CE2 4.26Å; L863-Y869 HydrophobicContact CG-CE2 4.41Å; S864-Y869 PolarHBondContact N-OH 2.85Å; S864-Y869 PolarHBondContact OG-OH 2.97Å; S864-Y869 VanDerWaalsContact OG-OH 3.06Å; S867-Y869 WeakPolarHBondContact O-CD2 3.49Å; Y869-L894 WeakPolarHBondContact O-CA 3.49Å; Y869-A895 PolarHBondContact N-O 2.86Å; Y869-A895 PolarHBondContact O-N 3.19Å; Y869-T897 HydrophobicContact CD2-CG2 4.08Å; Y869-T897 HydrophobicContact CE2-CG2 3.9Å |
| 870 | E | 87.5 | Confident | 81.5 | Confident | 11 Ų | 11 | 20.8 Ų | 20.8 | 5% | 0.051 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.5 | 168.9 | -172 | 173.2 | -144.3 | 0 | 0 | 108.4 | R753 V755 R759 E893 L894 | R753-E870 HydrophobicContact CG-CB 4.07Å; R753-E870 IonicContact CZ-OE2 2.66Å; R753-E870 PolarHBondContact N-O 2.8Å; R753-E870 IonicContact NE-OE2 3.19Å; R753-E870 PolarHBondContact NE-OE2 3.32Å; R753-E870 IonicContact NH2-OE1 3.63Å; R753-E870 IonicContact NH2-OE2 3.63Å; R753-E870 PolarHBondContact NH2-OE2 2.86Å; R753-E870 PolarHBondContact O-N 2.87Å; V755-E870 HydrophobicContact CG1-CB 3.78Å; V755-E870 HydrophobicContact CG2-CB 4.39Å; R759-E870 IonicContact CZ-OE1 3.36Å; R759-E870 IonicContact CZ-OE2 2.71Å; R759-E870 VanDerWaalsContact NH1-CD 3.3Å; R759-E870 IonicContact NH1-OE1 2.7Å; R759-E870 PolarHBondContact NH1-OE1 3.07Å; R759-E870 IonicContact NH1-OE2 3.94Å; R759-E870 PolarHBondContact NH1-OE2 2.85Å; R759-E870 IonicContact NH2-OE1 3.47Å; R759-E870 PolarHBondContact NH2-OE1 2.7Å; R759-E870 IonicContact NH2-OE2 3.91Å; E870-E893 WeakPolarHBondContact CA-O 3.38Å; E870-L894 HydrophobicContact CB-CD2 3.66Å; E870-L894 HydrophobicContact CG-CD2 3.96Å |
| 871 | T | 86.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.7 | 179.6 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | I721 N751 V752 S892 E893 | I721-T871 HydrophobicContact CD1-CG2 4.47Å; I721-T871 WeakPolarHBondContact CD1-OG1 3.32Å; N751-T871 WeakPolarHBondContact O-CA 3.28Å; N751-T871 WeakPolarHBondContact O-CB 3.32Å; V752-T871 HydrophobicContact CB-CG2 4.34Å; V752-T871 HydrophobicContact CG1-CG2 4.14Å; V752-T871 HydrophobicContact CG2-CG2 3.92Å; T871-S892 WeakPolarHBondContact O-CA 3.36Å; T871-E893 PolarHBondContact N-O 2.9Å; T871-E893 PolarHBondContact O-N 2.82Å; T871-E893 VanDerWaalsContact O-N 3.08Å |
| 872 | D | 90.1 | Very high | 78.9 | Confident | 20 Ų | 20 | 24.7 Ų | 24.7 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 165.9 | 169.5 | 61.9 | 83.3 | 0 | 0 | 0 | 111.2 | N751 S889 | N751-D872 PolarHBondContact N-O 2.81Å; N751-D872 PolarHBondContact ND2-OD1 3.07Å; N751-D872 PolarHBondContact O-N 2.91Å; N751-D872 VanDerWaalsContact O-N 3.15Å; D872-S889 WeakPolarHBondContact CB-OG 3.18Å; D872-S889 VanDerWaalsContact CG-OG 3.23Å; D872-S889 PolarHBondContact OD1-OG 2.84Å |
| 873 | I | 90.6 | Very high | 78.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.5 | -166.2 | -50.6 | 177.1 | 0 | 0 | 0 | 109.5 | L716 I719 V731 W733 F748 K749 I750 S889 S890 | L716-I873 WeakPolarHBondContact CD1-O 3.31Å; I719-I873 HydrophobicContact CG2-CD1 4.33Å; V731-I873 HydrophobicContact CG1-CD1 3.86Å; W733-I873 HydrophobicContact CB-CD1 3.68Å; W733-I873 HydrophobicContact CD2-CD1 3.66Å; W733-I873 HydrophobicContact CD2-CG2 4.34Å; W733-I873 HydrophobicContact CE3-CD1 3.74Å; W733-I873 HydrophobicContact CG-CD1 3.65Å; W733-I873 HydrophobicContact CG-CG2 4.38Å; F748-I873 HydrophobicContact CB-CG2 4.28Å; F748-I873 HydrophobicContact CD1-CG2 4.21Å; K749-I873 WeakPolarHBondContact O-CA 3.34Å; I750-I873 HydrophobicContact CG1-CG1 4.36Å; I750-I873 HydrophobicContact CG1-CG2 4.48Å; I750-I873 HydrophobicContact CG2-CG1 4.39Å; I873-S889 WeakPolarHBondContact O-CA 3.29Å; I873-S890 PolarHBondContact N-OG 2.89Å; I873-S890 WeakPolarHBondContact O-CB 3.44Å; I873-S890 PolarHBondContact O-N 2.65Å |
| 874 | E | 90.7 | Very high | 77.6 | Confident | 28 Ų | 28 | 23.9 Ų | 23.9 | 13% | 0.131 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.6 | 175.1 | -66.8 | 165.2 | 134.2 | 0 | 0 | 108.9 | F748 K749 N751 | F748-E874 CarbonylContact C-O 3.49Å; F748-E874 VanDerWaalsContact CA-O 3.25Å; F748-E874 WeakPolarHBondContact CA-O 3.45Å; K749-E874 HydrophobicContact CB-CB 4.38Å; K749-E874 PolarHBondContact N-O 3.01Å; K749-E874 IonicContact NZ-OE2 2.77Å; K749-E874 PolarHBondContact NZ-OE2 3.36Å; K749-E874 PolarHBondContact O-N 2.9Å; N751-E874 PolarHBondContact ND2-OE2 2.81Å |
| 875 | A | 88.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 152.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I714 L716 I745 F748 L886 S887 | I714-A875 HydrophobicContact CD1-CB 4.2Å; I714-A875 HydrophobicContact CG2-CB 4.4Å; L716-A875 HydrophobicContact CD2-CB 4.47Å; I745-A875 HydrophobicContact CD1-CB 4.17Å; I745-A875 HydrophobicContact CG1-CB 4.42Å; I745-A875 HydrophobicContact CG2-CB 4.17Å; F748-A875 HydrophobicContact CD1-CB 3.83Å; F748-A875 HydrophobicContact CE1-CB 3.71Å; A875-L886 CarbonylContact O-C 3.52Å; A875-L886 WeakPolarHBondContact O-CA 3.31Å; A875-S887 PolarHBondContact N-OG 3.25Å; A875-S887 PolarHBondContact O-N 3.08Å; A875-S887 PolarHBondContact O-OG 3.37Å |
| 876 | F | 85.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 157 | 178.1 | 70.7 | -99.3 | 0 | 0 | 0 | 115.3 | D746 G747 K749 I844 M846 R884 I885 L886 | D746-F876 HydrophobicContact CB-CE2 4.25Å; D746-F876 PolarHBondContact N-O 3.18Å; G747-F876 VanDerWaalsContact C-CD1 3.48Å; G747-F876 WeakPolarHBondContact O-CD1 3.32Å; G747-F876 PolarHBondContact O-N 2.85Å; K749-F876 HydrophobicContact CB-CD1 4.33Å; I844-F876 HydrophobicContact CG2-CE1 3.96Å; I844-F876 HydrophobicContact CG2-CZ 3.77Å; M846-F876 HydrophobicContact CE-CE2 4.41Å; M846-F876 HydrophobicContact SD-CE2 4.06Å; M846-F876 HydrophobicContact SD-CZ 3.66Å; F876-R884 HydrophobicContact CB-CG 3.94Å; F876-R884 HydrophobicContact CD2-CG 4.08Å; F876-R884 HydrophobicContact CG-CG 4.16Å; F876-I885 CarbonylContact C-O 3.47Å; F876-I885 VanDerWaalsContact CA-O 3.23Å; F876-I885 WeakPolarHBondContact CA-O 3.44Å; F876-I885 WeakPolarHBondContact CB-O 3.33Å; F876-L886 HydrophobicContact CB-CD2 3.78Å |
| 877 | K | 79 | Confident | 77.6 | Confident | 45 Ų | 45 | 22.5 Ų | 22.5 | 20% | 0.196 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.8 | 165.9 | 175 | 70.4 | -148.5 | 149.6 | 0 | 108.7 | F711 R744 D746 D879 R884 I885 | F711-K877 HydrophobicContact CD1-CB 4.41Å; F711-K877 HydrophobicContact CD2-CB 4.44Å; F711-K877 HydrophobicContact CE1-CB 3.79Å; F711-K877 HydrophobicContact CE2-CB 3.84Å; F711-K877 HydrophobicContact CE2-CG 4.48Å; F711-K877 HydrophobicContact CZ-CB 3.51Å; F711-K877 HydrophobicContact CZ-CG 4.43Å; R744-K877 WeakPolarHBondContact O-CD 3.45Å; D746-K877 IonicContact OD1-NZ 2.7Å; D746-K877 PolarHBondContact OD1-NZ 3.4Å; D746-K877 WeakPolarHBondContact OD2-CA 3.06Å; D746-K877 VanDerWaalsContact OD2-CD 3.27Å; D746-K877 WeakPolarHBondContact OD2-CD 3.44Å; D746-K877 VanDerWaalsContact OD2-CE 3.26Å; D746-K877 WeakPolarHBondContact OD2-CE 3.45Å; D746-K877 IonicContact OD2-NZ 2.7Å; D746-K877 PolarHBondContact OD2-NZ 2.81Å; K877-D879 HydrophobicContact CG-CB 4.14Å; K877-D879 PolarHBondContact O-N 3.27Å; K877-R884 CarbonylContact O-C 3.56Å; K877-R884 WeakPolarHBondContact O-CA 3.34Å; K877-I885 PolarHBondContact N-O 3.34Å; K877-I885 PolarHBondContact O-N 3.11Å |
| 878 | D | 69.7 | Low | 77.8 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 88 | 163.5 | -71.4 | -25.5 | 0 | 0 | 0 | 107.8 | D746 R884 | D746-D878 PolarHBondContact OD2-N 2.81Å; D878-R884 VanDerWaalsContact OD1-CB 3.27Å; D878-R884 WeakPolarHBondContact OD1-CB 3.3Å; D878-R884 WeakPolarHBondContact OD1-CG 3.43Å; D878-R884 IonicContact OD1-CZ 2.71Å; D878-R884 IonicContact OD1-NE 2.74Å; D878-R884 PolarHBondContact OD1-NE 3.1Å; D878-R884 IonicContact OD1-NH2 3.12Å; D878-R884 PolarHBondContact OD1-NH2 2.95Å; D878-R884 IonicContact OD2-CZ 3.87Å; D878-R884 IonicContact OD2-NE 3.57Å; D878-R884 IonicContact OD2-NH2 3.87Å; D878-R884 PolarHBondContact OD2-NH2 3.01Å |
| 879 | D | 67.2 | Low | 77.9 | Confident | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130.7 | -178.9 | 178.7 | -90.4 | 0 | 0 | 0 | 110.2 | R334 K877 T881 Y882 G883 I885 | R334-D879 PolarHBondContact NH1-O 2.92Å; K877-D879 HydrophobicContact CG-CB 4.14Å; K877-D879 PolarHBondContact O-N 3.27Å; D879-T881 PolarHBondContact O-N 3.43Å; D879-T881 VanDerWaalsContact O-N 3.08Å; D879-T881 WeakPolarHBondContact OD1-CA 3.16Å; D879-T881 WeakPolarHBondContact OD1-CB 3.34Å; D879-T881 PolarHBondContact OD1-N 3.12Å; D879-Y882 WeakPolarHBondContact OD1-CD2 3.11Å; D879-Y882 PolarHBondContact OD1-N 2.89Å; D879-G883 PolarHBondContact N-O 2.74Å; D879-G883 PolarHBondContact O-N 2.82Å; D879-I885 HydrophobicContact CB-CD1 4.16Å |
| 880 | P | 54.1 | Low | 78.1 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 29% | 0.292 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -40.1 | 179.4 | -35.1 | 39.4 | 0 | 0 | 0 | 115.7 | Y343 R378 | Y343-P880 WeakPolarHBondContact OH-CB 3.27Å; R378-P880 VanDerWaalsContact CD-O 3.3Å; R378-P880 WeakPolarHBondContact CD-O 3.5Å; R378-P880 PolarHBondContact NH1-O 3.27Å |
| 881 | T | 49.8 | Very low | 77.9 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 27% | 0.27 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -43.3 | -168.4 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | D879 | D879-T881 PolarHBondContact O-N 3.43Å; D879-T881 VanDerWaalsContact O-N 3.08Å; D879-T881 WeakPolarHBondContact OD1-CA 3.16Å; D879-T881 WeakPolarHBondContact OD1-CB 3.34Å; D879-T881 PolarHBondContact OD1-N 3.12Å |
| 882 | Y | 59.4 | Low | 77.8 | Confident | 48 Ų | 48 | 42 Ų | 42 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -10.1 | -163.8 | -59.7 | -61.2 | 0 | 0 | 0 | 115.6 | T700 F704 D879 | T700-Y882 PolarHBondContact O-OH 3.28Å; F704-Y882 HydrophobicContact CB-CD1 3.88Å; F704-Y882 HydrophobicContact CB-CD2 4.37Å; F704-Y882 HydrophobicContact CB-CE1 3.76Å; F704-Y882 HydrophobicContact CB-CE2 4.24Å; F704-Y882 HydrophobicContact CB-CG 4.22Å; F704-Y882 AromaticContact CD2-CD1 3.69Å; F704-Y882 HydrophobicContact CD2-CD1 3.69Å; F704-Y882 AromaticContact CD2-CD2 3.99Å; F704-Y882 HydrophobicContact CD2-CD2 3.99Å; F704-Y882 HydrophobicContact CD2-CE1 4.43Å; F704-Y882 AromaticContact CD2-CG 3.46Å; F704-Y882 HydrophobicContact CD2-CG 3.46Å; F704-Y882 VanDerWaalsContact CD2-CG 3.46Å; F704-Y882 HydrophobicContact CE2-CG 4.21Å; F704-Y882 HydrophobicContact CG-CD1 4.03Å; F704-Y882 HydrophobicContact CG-CE1 4.4Å; F704-Y882 HydrophobicContact CG-CG 4.2Å; D879-Y882 WeakPolarHBondContact OD1-CD2 3.11Å; D879-Y882 PolarHBondContact OD1-N 2.89Å |
| 883 | G | 61.2 | Low | 77.6 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.2 | -152.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R334 S380 D879 | R334-G883 VanDerWaalsContact NH2-CA 3.33Å; S380-G883 VanDerWaalsContact OG-CA 3.28Å; S380-G883 WeakPolarHBondContact OG-CA 3.47Å; D879-G883 PolarHBondContact N-O 2.74Å; D879-G883 PolarHBondContact O-N 2.82Å |
| 884 | R | 72.1 | Confident | 77.4 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.4 | 169.2 | -178.9 | 165.3 | -70.7 | 169.1 | -0.9 | 109.9 | I844 F876 K877 D878 L886 | I844-R884 VanDerWaalsContact CD1-NH1 3.35Å; F876-R884 HydrophobicContact CB-CG 3.94Å; F876-R884 HydrophobicContact CD2-CG 4.08Å; F876-R884 HydrophobicContact CG-CG 4.16Å; K877-R884 CarbonylContact O-C 3.56Å; K877-R884 WeakPolarHBondContact O-CA 3.34Å; D878-R884 VanDerWaalsContact OD1-CB 3.27Å; D878-R884 WeakPolarHBondContact OD1-CB 3.3Å; D878-R884 WeakPolarHBondContact OD1-CG 3.43Å; D878-R884 IonicContact OD1-CZ 2.71Å; D878-R884 IonicContact OD1-NE 2.74Å; D878-R884 PolarHBondContact OD1-NE 3.1Å; D878-R884 IonicContact OD1-NH2 3.12Å; D878-R884 PolarHBondContact OD1-NH2 2.95Å; D878-R884 IonicContact OD2-CZ 3.87Å; D878-R884 IonicContact OD2-NE 3.57Å; D878-R884 IonicContact OD2-NH2 3.87Å; D878-R884 PolarHBondContact OD2-NH2 3.01Å; R884-L886 HydrophobicContact CG-CD2 3.93Å |
| 885 | I | 74 | Confident | 77.1 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.8 | 175.5 | -69.3 | 167.1 | 0 | 0 | 0 | 108.6 | F704 L707 V708 F711 F876 K877 D879 | F704-I885 HydrophobicContact CD2-CD1 3.97Å; F704-I885 HydrophobicContact CE2-CD1 3.77Å; F704-I885 HydrophobicContact CE2-CG1 3.97Å; L707-I885 HydrophobicContact CD2-CD1 3.54Å; L707-I885 HydrophobicContact CD2-CG2 4.38Å; V708-I885 HydrophobicContact CG2-CD1 4.33Å; V708-I885 HydrophobicContact CG2-CG1 4.41Å; V708-I885 HydrophobicContact CG2-CG2 4.08Å; F711-I885 HydrophobicContact CB-CG2 3.92Å; F711-I885 HydrophobicContact CG-CG2 4.13Å; F876-I885 CarbonylContact C-O 3.47Å; F876-I885 VanDerWaalsContact CA-O 3.23Å; F876-I885 WeakPolarHBondContact CA-O 3.44Å; F876-I885 WeakPolarHBondContact CB-O 3.33Å; K877-I885 PolarHBondContact N-O 3.34Å; K877-I885 PolarHBondContact O-N 3.11Å; D879-I885 HydrophobicContact CB-CD1 4.16Å |
| 886 | L | 83.8 | Confident | 76.8 | Confident | 61 Ų | 61 | 47.6 Ų | 47.6 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.8 | -179.6 | -55.8 | 178.5 | 0 | 0 | 0 | 111.1 | K749 A875 F876 R884 | K749-L886 HydrophobicContact CD-CD2 4.37Å; A875-L886 CarbonylContact O-C 3.52Å; A875-L886 WeakPolarHBondContact O-CA 3.31Å; F876-L886 HydrophobicContact CB-CD2 3.78Å; R884-L886 HydrophobicContact CG-CD2 3.93Å |
| 887 | S | 87.7 | Confident | 76.7 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | trans | -70.3 | 178.1 | 163.2 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | F711 A875 S889 | F711-S887 WeakPolarHBondContact O-CA 3.28Å; F711-S887 VanDerWaalsContact O-CB 3.24Å; F711-S887 WeakPolarHBondContact O-CB 3.38Å; A875-S887 PolarHBondContact N-OG 3.25Å; A875-S887 PolarHBondContact O-N 3.08Å; A875-S887 PolarHBondContact O-OG 3.37Å; S887-S889 PolarHBondContact O-N 3.09Å | ||
| 888 | R | 85.7 | Confident | 76.9 | Confident | 188 Ų | 188 | 49.3 Ų | 49.3 | 71% | 0.709 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -57.1 | 134.9 | 156.1 | 166.7 | 173.4 | -73 | -176.8 | -1.7 | 109 | ||
| 889 | S | 85.7 | Confident | 77.5 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 142 | 168.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | D872 I873 S887 | D872-S889 WeakPolarHBondContact CB-OG 3.18Å; D872-S889 VanDerWaalsContact CG-OG 3.23Å; D872-S889 PolarHBondContact OD1-OG 2.84Å; I873-S889 WeakPolarHBondContact O-CA 3.29Å; S887-S889 PolarHBondContact O-N 3.09Å |
| 890 | S | 89.7 | Confident | 78.3 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 169.4 | 177.3 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | I719 I873 S892 | I719-S890 WeakPolarHBondContact CD1-OG 3.41Å; I873-S890 PolarHBondContact N-OG 2.89Å; I873-S890 WeakPolarHBondContact O-CB 3.44Å; I873-S890 PolarHBondContact O-N 2.65Å; S890-S892 PolarHBondContact O-N 3.41Å |
| 891 | R | 84.8 | Confident | 79.9 | Confident | 180 Ų | 180 | 50.6 Ų | 50.6 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -60.3 | 125.7 | 169.2 | -172.7 | -176.7 | -166.7 | -126.5 | 5.7 | 109.3 | I719 E893 | I719-R891 HydrophobicContact CD1-CB 4.49Å; I719-R891 WeakPolarHBondContact CD1-O 3.39Å; R891-E893 IonicContact CZ-OE1 3.88Å; R891-E893 IonicContact NE-OE1 3.92Å; R891-E893 IonicContact NH1-OE1 3.49Å; R891-E893 PolarHBondContact NH1-OE1 3.04Å; R891-E893 IonicContact NH1-OE2 2.92Å; R891-E893 PolarHBondContact O-N 2.9Å |
| 892 | S | 84.5 | Confident | 81.7 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 128.9 | 172.5 | -45 | 0 | 0 | 0 | 0 | 110.3 | T871 S890 | T871-S892 WeakPolarHBondContact O-CA 3.36Å; S890-S892 PolarHBondContact O-N 3.41Å |
| 893 | E | 86.2 | Confident | 83 | Confident | 52 Ų | 52 | 49 Ų | 49 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.7 | 173 | -69.5 | -67.7 | 158 | 0 | 0 | 109.9 | I719 I721 E870 T871 R891 | I719-E893 HydrophobicContact CB-CG 4.48Å; I721-E893 HydrophobicContact CD1-CB 3.68Å; E870-E893 WeakPolarHBondContact CA-O 3.38Å; T871-E893 PolarHBondContact N-O 2.9Å; T871-E893 PolarHBondContact O-N 2.82Å; T871-E893 VanDerWaalsContact O-N 3.08Å; R891-E893 IonicContact CZ-OE1 3.88Å; R891-E893 IonicContact NE-OE1 3.92Å; R891-E893 IonicContact NH1-OE1 3.49Å; R891-E893 PolarHBondContact NH1-OE1 3.04Å; R891-E893 IonicContact NH1-OE2 2.92Å; R891-E893 PolarHBondContact O-N 2.9Å |
| 894 | L | 85.7 | Confident | 84.2 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.4 | -175.3 | -72.6 | 164 | 0 | 0 | 0 | 111.1 | V755 R759 A763 Y869 E870 | V755-L894 HydrophobicContact CG2-CD2 3.8Å; R759-L894 HydrophobicContact CB-CD1 4.5Å; A763-L894 HydrophobicContact CB-CD1 3.67Å; Y869-L894 WeakPolarHBondContact O-CA 3.49Å; E870-L894 HydrophobicContact CB-CD2 3.66Å; E870-L894 HydrophobicContact CG-CD2 3.96Å |
| 895 | A | 83.2 | Confident | 85 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I721 L729 C868 Y869 | I721-A895 HydrophobicContact CB-CB 4Å; I721-A895 HydrophobicContact CD1-CB 4.27Å; I721-A895 HydrophobicContact CG2-CB 3.43Å; I721-A895 VanDerWaalsContact CG2-CB 3.43Å; L729-A895 HydrophobicContact CD1-CB 4.03Å; L729-A895 HydrophobicContact CD2-CB 4.11Å; C868-A895 WeakPolarHBondContact CA-O 3.47Å; Y869-A895 PolarHBondContact N-O 2.86Å; Y869-A895 PolarHBondContact O-N 3.19Å |
| 896 | L | 83.5 | Confident | 85.6 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.1 | 177.7 | 172.3 | 58.2 | 0 | 0 | 0 | 108.6 | M757 F866 S867 | M757-L896 HydrophobicContact CE-CD1 3.62Å; M757-L896 HydrophobicContact CE-CD2 3.82Å; M757-L896 HydrophobicContact CE-CG 4.4Å; M757-L896 HydrophobicContact SD-CD1 3.95Å; F866-L896 HydrophobicContact CD2-CD1 4.47Å; S867-L896 WeakPolarHBondContact O-CD1 3.5Å |
| 897 | T | 84.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 152.1 | 169.9 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | S726 L729 L863 S864 F866 S867 Y869 | S726-T897 WeakPolarHBondContact O-CB 3.37Å; L729-T897 HydrophobicContact CD2-CG2 4.23Å; L729-T897 HydrophobicContact CG-CG2 4.37Å; L863-T897 HydrophobicContact CB-CG2 4Å; L863-T897 HydrophobicContact CD1-CG2 4.22Å; S864-T897 PolarHBondContact O-OG1 2.78Å; F866-T897 WeakPolarHBondContact CA-O 3.4Å; F866-T897 PolarHBondContact N-OG1 3.49Å; S867-T897 PolarHBondContact N-OG1 3.15Å; S867-T897 PolarHBondContact O-N 2.76Å; S867-T897 PolarHBondContact O-OG1 3.31Å; Y869-T897 HydrophobicContact CD2-CG2 4.08Å; Y869-T897 HydrophobicContact CE2-CG2 3.9Å |
| 898 | L | 81.7 | Confident | 85.6 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 42% | 0.419 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 155.7 | -178.2 | -55.8 | 175.9 | 0 | 0 | 0 | 112.5 | P723 S726 F866 | P723-L898 HydrophobicContact CB-CD2 4.24Å; P723-L898 HydrophobicContact CB-CG 4.05Å; P723-L898 HydrophobicContact CG-CD2 4Å; P723-L898 HydrophobicContact CG-CG 4.36Å; S726-L898 WeakPolarHBondContact CA-O 3.37Å; S726-L898 WeakPolarHBondContact CB-O 3.29Å; F866-L898 PolarHBondContact N-O 3Å |
| 899 | D | 83.7 | Confident | 85.5 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 138.1 | 171 | -61.6 | 56 | 0 | 0 | 0 | 112.4 | F866 H954 G955 K1005 | F866-D899 WeakPolarHBondContact CD2-OD1 3.31Å; D899-H954 WeakPolarHBondContact CA-O 3.35Å; D899-G955 WeakPolarHBondContact OD2-CA 3.41Å; D899-K1005 HydrophobicContact CB-CB 4.25Å |
| 900 | A | 83.6 | Confident | 85.3 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | trans | -121.3 | 160.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P865 H954 N1003 | P865-A900 HydrophobicContact CB-CB 3.63Å; P865-A900 HydrophobicContact CG-CB 3.6Å; A900-H954 HydrophobicContact CB-CB 4.21Å; A900-H954 PolarHBondContact N-O 2.9Å; A900-H954 WeakPolarHBondContact O-CB 3.26Å; A900-H954 VanDerWaalsContact O-O 3.12Å; A900-N1003 PolarHBondContact O-ND2 2.79Å | ||
| 901 | P | 87.5 | Confident | 84.9 | Confident | 62 Ų | 62 | 47.9 Ų | 47.9 | 40% | 0.403 | 26% | 0.259 | S | S | . | . | trans | -61.6 | 151.6 | 176.8 | -20.4 | 33.9 | 0 | 0 | 0 | 112.1 | S903 H954 K1005 | P901-S903 PolarHBondContact O-N 3.33Å; P901-H954 PolarHBondContact O-ND1 3.23Å; P901-H954 VanDerWaalsContact O-ND1 3.13Å; P901-K1005 HydrophobicContact CG-CB 4.38Å; P901-K1005 HydrophobicContact CG-CG 3.92Å | ||
| 902 | P | 88 | Confident | 84.5 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | trans | -59.2 | 129.4 | 179.1 | -22.9 | 32.6 | 0 | 0 | 0 | 112.5 | L948 M952 N1003 G1008 V1009 | P902-L948 HydrophobicContact CB-CD2 3.82Å; P902-M952 CarbonylContact C-O 3.55Å; P902-M952 WeakPolarHBondContact CA-O 3.5Å; P902-N1003 WeakPolarHBondContact CD-ND2 3.38Å; P902-N1003 HydrophobicContact CG-CB 4.27Å; P902-G1008 VanDerWaalsContact O-CA 3.27Å; P902-G1008 WeakPolarHBondContact O-CA 3.48Å; P902-V1009 PolarHBondContact O-N 3.39Å; P902-V1009 VanDerWaalsContact O-N 3.14Å | ||
| 903 | S | 86.8 | Confident | 84.1 | Confident | 57 Ų | 57 | 45 Ų | 45 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -85.1 | -11.4 | -169.4 | 46.4 | 0 | 0 | 0 | 0 | 115.2 | P901 M952 H954 V1009 | P901-S903 PolarHBondContact O-N 3.33Å; S903-M952 PolarHBondContact N-O 3.27Å; S903-M952 PolarHBondContact OG-O 2.77Å; S903-H954 WeakPolarHBondContact CB-CE1 3.39Å; S903-H954 PolarHBondContact OG-CE1 3.37Å; S903-H954 PolarHBondContact OG-NE2 2.75Å; S903-V1009 WeakPolarHBondContact O-CG2 3.28Å |
| 904 | S | 86.5 | Confident | 83.4 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 21% | 0.21 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -136.9 | 165.6 | 174.8 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | L948 M952 | S904-L948 WeakPolarHBondContact O-CD1 2.94Å; S904-L948 WeakPolarHBondContact OG-CD1 3.44Å; S904-M952 VanDerWaalsContact OG-CB 3.28Å; S904-M952 WeakPolarHBondContact OG-CB 3.5Å; S904-M952 PolarHBondContact OG-SD 2.78Å |
| 905 | S | 88.2 | Confident | 82 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -99 | 146.1 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | V1009 S1011 | S905-V1009 WeakPolarHBondContact CA-O 3.39Å; S905-V1009 WeakPolarHBondContact CB-O 3.31Å; S905-S1011 VanDerWaalsContact CB-CA 3.41Å; S905-S1011 VanDerWaalsContact CB-N 3.26Å; S905-S1011 WeakPolarHBondContact OG-CA 3.34Å |
| 906 | P | 87.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 141.2 | 169.2 | -23.2 | 35.5 | 0 | 0 | 0 | 112.6 | W945 L948 Y960 I999 | P906-W945 HydrophobicContact CB-CB 4.38Å; P906-W945 HydrophobicContact CB-CG 4.37Å; P906-L948 HydrophobicContact CG-CD1 4.49Å; P906-Y960 HydrophobicContact CB-CE1 4.38Å; P906-Y960 HydrophobicContact CG-CD1 3.55Å; P906-Y960 HydrophobicContact CG-CE1 3.56Å; P906-I999 HydrophobicContact CB-CG2 4.01Å; P906-I999 HydrophobicContact CG-CG2 3.85Å |
| 907 | E | 86.2 | Confident | 78.1 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 119.7 | 176.9 | -172.3 | -167.6 | 137 | 0 | 0 | 110.6 | I909 W945 K946 | E907-I909 PolarHBondContact O-N 3.44Å; E907-W945 CarbonylContact O-C 3.59Å; E907-W945 WeakPolarHBondContact O-CA 3.46Å; E907-W945 WeakPolarHBondContact O-CB 3.37Å; E907-K946 HydrophobicContact CB-CB 4.34Å; E907-K946 HydrophobicContact CB-CD 4.2Å; E907-K946 HydrophobicContact CB-CG 4.34Å; E907-K946 VanDerWaalsContact CD-CE 3.42Å; E907-K946 PolarHBondContact O-N 3.3Å; E907-K946 WeakPolarHBondContact OE1-CE 3.44Å; E907-K946 IonicContact OE1-NZ 3.18Å; E907-K946 PolarHBondContact OE1-NZ 2.92Å; E907-K946 WeakPolarHBondContact OE2-CD 3.42Å; E907-K946 WeakPolarHBondContact OE2-CE 3.49Å; E907-K946 IonicContact OE2-NZ 2.72Å; E907-K946 PolarHBondContact OE2-NZ 3.47Å |
| 908 | L | 84.6 | Confident | 75.5 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.8 | 176.1 | -172.7 | 75.9 | 0 | 0 | 0 | 110.7 | A911 L943 S944 I999 Y1014 | L908-A911 HydrophobicContact CD2-CB 4.26Å; L908-L943 HydrophobicContact CD1-CB 4.41Å; L908-S944 WeakPolarHBondContact CD1-O 3.48Å; L908-I999 HydrophobicContact CD1-CD1 3.67Å; L908-Y1014 VanDerWaalsContact CD2-CB 3.48Å; L908-Y1014 HydrophobicContact CD2-CD1 4.13Å; L908-Y1014 HydrophobicContact CD2-CD2 3.65Å; L908-Y1014 HydrophobicContact CD2-CE2 4.4Å; L908-Y1014 HydrophobicContact CD2-CG 3.47Å; L908-Y1014 VanDerWaalsContact CD2-CG 3.47Å |
| 909 | I | 83.5 | Confident | 73.2 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 54% | 0.544 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -46.5 | -179 | -56.6 | 166.7 | 0 | 0 | 0 | 111 | E907 S944 K946 | E907-I909 PolarHBondContact O-N 3.44Å; I909-S944 WeakPolarHBondContact CA-O 3.18Å; I909-S944 WeakPolarHBondContact CB-O 3Å; I909-S944 PolarHBondContact N-O 2.82Å; I909-K946 HydrophobicContact CD1-CG 3.78Å; I909-K946 HydrophobicContact CG1-CG 3.78Å |
| 910 | S | 82 | Confident | 70.8 | Confident | 26 Ų | 26 | 72.3 Ų | 72.3 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 154.2 | -176.9 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | L943 S944 | S910-L943 WeakPolarHBondContact O-CA 3.49Å; S910-S944 PolarHBondContact N-O 2.93Å; S910-S944 PolarHBondContact O-N 2.99Å; S910-S944 PolarHBondContact OG-OG 2.98Å |
| 911 | A | 82.2 | Confident | 68.3 | Low | 12 Ų | 12 | 78.8 Ų | 78.8 | 10% | 0.099 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 89.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L908 I941 R942 L943 Y1014 | L908-A911 HydrophobicContact CD2-CB 4.26Å; A911-I941 HydrophobicContact CB-CD1 4.06Å; A911-R942 CarbonylContact C-O 3.51Å; A911-R942 VanDerWaalsContact CA-O 3.28Å; A911-R942 WeakPolarHBondContact CA-O 3.41Å; A911-L943 HydrophobicContact CB-CD2 3.67Å; A911-Y1014 HydrophobicContact CB-CD1 3.85Å; A911-Y1014 HydrophobicContact CB-CE1 3.47Å; A911-Y1014 VanDerWaalsContact CB-CE1 3.47Å |
| 912 | E | 75.8 | Confident | 65.6 | Low | 114 Ų | 114 | 82 Ų | 82 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.6 | -164.6 | -68.9 | 170.6 | -163.8 | 0 | 0 | 113.2 | I941 R942 | E912-I941 CarbonylContact O-C 3.22Å; E912-I941 WeakPolarHBondContact O-CA 3.26Å; E912-I941 WeakPolarHBondContact O-CG1 3.43Å; E912-R942 PolarHBondContact N-O 2.84Å; E912-R942 PolarHBondContact O-N 3.32Å |
| 913 | W | 76.9 | Confident | 63.1 | Low | 49 Ų | 49 | 89.7 Ų | 89.7 | 19% | 0.186 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.7 | 173 | -69.8 | 109.1 | 0 | 0 | 0 | 111.5 | L915 S938 S940 L989 P991 L1016 I1019 | W913-L915 PolarHBondContact O-N 2.72Å; W913-S938 VanDerWaalsContact CZ3-O 3.3Å; W913-S938 WeakPolarHBondContact CZ3-O 3.38Å; W913-S940 WeakPolarHBondContact CA-O 3.3Å; W913-L989 HydrophobicContact CH2-CB 3.97Å; W913-L989 HydrophobicContact CZ3-CB 4.06Å; W913-P991 HydrophobicContact CH2-CB 4.1Å; W913-P991 HydrophobicContact CZ2-CB 4.42Å; W913-P991 HydrophobicContact CZ3-CB 4.22Å; W913-L1016 HydrophobicContact CH2-CD2 4.19Å; W913-L1016 HydrophobicContact CZ2-CD2 3.54Å; W913-L1016 HydrophobicContact CZ2-CG 4.15Å; W913-I1019 HydrophobicContact CD2-CD1 4.23Å; W913-I1019 HydrophobicContact CG-CD1 4.05Å |
| 914 | L | 70.6 | Confident | 60.6 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | trans | -90.5 | 80.9 | -172 | -65.7 | 173.3 | 0 | 0 | 0 | 112.5 | H916 S938 S940 R942 N985 | L914-H916 PolarHBondContact O-N 2.69Å; L914-S938 VanDerWaalsContact C-OG 3.32Å; L914-S938 PolarHBondContact N-OG 3.26Å; L914-S938 WeakPolarHBondContact O-CB 3.17Å; L914-S938 PolarHBondContact O-OG 2.7Å; L914-S940 PolarHBondContact N-O 2.91Å; L914-R942 HydrophobicContact CD2-CB 4.17Å; L914-R942 HydrophobicContact CG-CB 4.49Å; L914-N985 HydrophobicContact CD1-CB 4.43Å | ||
| 915 | L | 56.9 | Low | 58.1 | Low | 139 Ų | 139 | 101.1 Ų | 101.1 | 73% | 0.728 | 54% | 0.538 | S | S | * | . | trans | -48.3 | 121.8 | -179.2 | -77.8 | 165.9 | 0 | 0 | 0 | 114.2 | W913 | W913-L915 PolarHBondContact O-N 2.72Š| ||
| 916 | H | 46.2 | Very low | 55.4 | Low | 152 Ų | 152 | 105.8 Ų | 105.8 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | trans | -88.5 | 118.5 | 168.3 | -105.6 | -85.8 | 0 | 0 | 0 | 110.4 | L914 | L914-H916 PolarHBondContact O-N 2.69Š| ||
| 917 | I | 37 | Very low | 52.8 | Low | 159 Ų | 159 | 109.1 Ų | 109.1 | 82% | 0.815 | 60% | 0.6 | S | S | * | * | trans | -101.2 | 108 | 169 | -58.6 | 177.1 | 0 | 0 | 0 | 108.3 | ||||
| 918 | S | 31.5 | Very low | 50.2 | Low | 86 Ų | 86 | 110 Ų | 110 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 120 | 174 | -59 | 0 | 0 | 0 | 0 | 109.6 | ||
| 919 | P | 33.2 | Very low | 47.6 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.9 | 174.6 | 28.7 | -32.8 | 0 | 0 | 0 | 110.4 | ||
| 920 | L | 32.6 | Very low | 45.1 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 83% | 0.827 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -94 | 156.2 | 176.4 | -92.6 | 131 | 0 | 0 | 0 | 112.4 | ||
| 921 | N | 30.7 | Very low | 42.8 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.3 | -159.5 | -58.3 | -15.2 | 0 | 0 | 0 | 115.6 | ||
| 922 | S | 30.5 | Very low | 40.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -97 | 44.7 | 168.9 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 923 | E | 36.1 | Very low | 38 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -154.1 | 44.2 | 173.2 | -139.3 | 169.5 | -127.5 | 0 | 0 | 114.6 | ||||
| 924 | Q | 34.6 | Very low | 35.9 | Very low | 194 Ų | 194 | 136 Ų | 136 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -123.1 | 126.7 | 156.2 | -75.1 | -164.2 | -27.9 | 0 | 0 | 109.7 | ||||
| 925 | I | 34 | Very low | 34.3 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -121.4 | 123.1 | -151 | -67.1 | 175 | 0 | 0 | 0 | 110.4 | ||||
| 926 | T | 32 | Very low | 33.8 | Very low | 139 Ų | 139 | 142 Ų | 142 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 62 | 161.9 | 167.4 | 63.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 927 | G | 32.7 | Very low | 34.2 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 102.5 | 109.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R929 | G927-R929 PolarHBondContact O-N 2.81Š| ||
| 928 | S | 30 | Very low | 35.2 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 72% | 0.72 | S | S | * | * | trans | -71 | 109.5 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 929 | R | 31 | Very low | 37.2 | Very low | 236 Ų | 236 | 130.9 Ų | 130.9 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | trans | -149.9 | 133.3 | 155.8 | -118.5 | 176.3 | -176.9 | -178.9 | 0.4 | 111.9 | G927 | G927-R929 PolarHBondContact O-N 2.81Š| ||
| 930 | I | 30.6 | Very low | 39.4 | Very low | 164 Ų | 164 | 126 Ų | 126 | 84% | 0.841 | 69% | 0.688 | S | S | * | * | trans | -85.9 | 118.1 | -178.5 | -58.7 | 163.9 | 0 | 0 | 0 | 108.7 | ||||
| 931 | I | 33.7 | Very low | 41.8 | Very low | 152 Ų | 152 | 118.5 Ų | 118.5 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | trans | -142.9 | 135.3 | 164 | -55 | -178.2 | 0 | 0 | 0 | 108.1 | S933 | I931-S933 PolarHBondContact O-N 2.88Š| ||
| 932 | N | 27.7 | Very low | 44.5 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 82% | 0.824 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118.2 | 177.2 | -63 | -19.3 | 0 | 0 | 0 | 110.6 | ||
| 933 | S | 30 | Very low | 47.2 | Very low | 106 Ų | 106 | 110 Ų | 110 | 74% | 0.741 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 122.2 | 168.5 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | I931 T935 | I931-S933 PolarHBondContact O-N 2.88Å; S933-T935 PolarHBondContact O-N 2.99Å |
| 934 | S | 33 | Very low | 49.7 | Very low | 78 Ų | 78 | 103.1 Ų | 103.1 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 122.3 | -172.4 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | Y936 | S934-Y936 WeakPolarHBondContact O-CD2 3.32Å; S934-Y936 PolarHBondContact O-N 3.44Å; S934-Y936 WeakPolarHBondContact OG-CE2 3.49Å |
| 935 | T | 37.3 | Very low | 52.4 | Low | 125 Ų | 125 | 94 Ų | 94 | 77% | 0.767 | 51% | 0.514 | S | S | * | . | trans | -68.2 | 108.7 | 161.2 | -40.6 | 0 | 0 | 0 | 0 | 108.6 | S933 P937 | S933-T935 PolarHBondContact O-N 2.99Å; T935-P937 WeakPolarHBondContact O-CD 3.37Å | ||
| 936 | Y | 46.2 | Very low | 54.8 | Low | 184 Ų | 184 | 92.1 Ų | 92.1 | 72% | 0.722 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 125.7 | 178.1 | -75.6 | -88.9 | 0 | 0 | 0 | 110.4 | S934 | S934-Y936 WeakPolarHBondContact O-CD2 3.32Å; S934-Y936 PolarHBondContact O-N 3.44Å; S934-Y936 WeakPolarHBondContact OG-CE2 3.49Å |
| 937 | P | 53 | Low | 57.2 | Low | 29 Ų | 29 | 89.2 Ų | 89.2 | 19% | 0.188 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 145.4 | 172.9 | 28.1 | -33.1 | 0 | 0 | 0 | 111.2 | T935 P991 F992 I1019 | T935-P937 WeakPolarHBondContact O-CD 3.37Å; P937-P991 HydrophobicContact CB-CB 3.66Å; P937-P991 HydrophobicContact CB-CG 3.83Å; P937-P991 HydrophobicContact CG-CB 3.84Å; P937-P991 HydrophobicContact CG-CG 3.55Å; P937-F992 HydrophobicContact CG-CE1 3.82Å; P937-F992 HydrophobicContact CG-CE2 4.21Å; P937-F992 HydrophobicContact CG-CZ 3.49Å; P937-F992 VanDerWaalsContact CG-CZ 3.49Å; P937-I1019 HydrophobicContact CB-CB 4.34Å; P937-I1019 HydrophobicContact CB-CD1 3.57Å; P937-I1019 HydrophobicContact CB-CG2 4.15Å |
| 938 | S | 58.4 | Low | 59.6 | Low | 9 Ų | 9 | 86.5 Ų | 86.5 | 6% | 0.063 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 134.4 | -178 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | W913 L914 S940 | W913-S938 VanDerWaalsContact CZ3-O 3.3Å; W913-S938 WeakPolarHBondContact CZ3-O 3.38Å; L914-S938 VanDerWaalsContact C-OG 3.32Å; L914-S938 PolarHBondContact N-OG 3.26Å; L914-S938 WeakPolarHBondContact O-CB 3.17Å; L914-S938 PolarHBondContact O-OG 2.7Å; S938-S940 PolarHBondContact O-N 3.43Å |
| 939 | E | 74 | Confident | 61.8 | Low | 126 Ų | 126 | 86.2 Ų | 86.2 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -75.9 | 26.8 | 175.6 | -56.3 | -179 | 167.5 | 0 | 0 | 114 | H987 G988 L989 | E939-H987 CarbonylContact O-C 3.58Å; E939-G988 PolarHBondContact O-N 2.79Å; E939-L989 CarbonylContact C-O 3.59Å; E939-L989 WeakPolarHBondContact CA-O 3.39Å; E939-L989 WeakPolarHBondContact CB-O 3.09Å; E939-L989 PolarHBondContact O-N 2.91Å |
| 940 | S | 79.4 | Confident | 63.6 | Low | 21 Ų | 21 | 82.7 Ų | 82.7 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 130 | -165.1 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | W913 L914 S938 I986 H987 | W913-S940 WeakPolarHBondContact CA-O 3.3Å; L914-S940 PolarHBondContact N-O 2.91Å; S938-S940 PolarHBondContact O-N 3.43Å; S940-I986 WeakPolarHBondContact CA-O 3.46Å; S940-H987 WeakPolarHBondContact CB-ND1 3.41Å; S940-H987 PolarHBondContact OG-ND1 2.81Å |
| 941 | I | 83.7 | Confident | 65.5 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.9 | 175.8 | -170.5 | 163.3 | 0 | 0 | 0 | 111.1 | A911 E912 L943 N985 I986 L989 I997 L1016 | A911-I941 HydrophobicContact CB-CD1 4.06Å; E912-I941 CarbonylContact O-C 3.22Å; E912-I941 WeakPolarHBondContact O-CA 3.26Å; E912-I941 WeakPolarHBondContact O-CG1 3.43Å; I941-L943 HydrophobicContact CD1-CD2 3.79Å; I941-L943 HydrophobicContact CG1-CD2 4.04Å; I941-L943 HydrophobicContact CG2-CD2 4.49Å; I941-N985 CarbonylContact O-C 3.56Å; I941-N985 WeakPolarHBondContact O-CA 3.32Å; I941-I986 HydrophobicContact CG2-CB 3.87Å; I941-I986 PolarHBondContact N-O 3.23Å; I941-I986 PolarHBondContact O-N 3.18Å; I941-L989 HydrophobicContact CB-CD1 4.32Å; I941-L989 HydrophobicContact CG2-CD1 3.46Å; I941-L989 VanDerWaalsContact CG2-CD1 3.46Å; I941-I997 HydrophobicContact CD1-CD1 4.31Å; I941-L1016 HydrophobicContact CD1-CD1 3.51Å; I941-L1016 HydrophobicContact CD1-CD2 3.47Å; I941-L1016 VanDerWaalsContact CD1-CD2 3.47Å; I941-L1016 HydrophobicContact CD1-CG 4.09Å |
| 942 | R | 86 | Confident | 67.8 | Low | 96 Ų | 96 | 81.5 Ų | 81.5 | 36% | 0.362 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123 | 161.1 | 179.3 | 174.4 | -62.2 | 151.6 | 8.3 | 109.9 | A911 E912 L914 N985 | A911-R942 CarbonylContact C-O 3.51Å; A911-R942 VanDerWaalsContact CA-O 3.28Å; A911-R942 WeakPolarHBondContact CA-O 3.41Å; E912-R942 PolarHBondContact N-O 2.84Å; E912-R942 PolarHBondContact O-N 3.32Å; L914-R942 HydrophobicContact CD2-CB 4.17Å; L914-R942 HydrophobicContact CG-CB 4.49Å; R942-N985 PolarHBondContact NE-OD1 3.48Å |
| 943 | L | 88.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 142 | 167.5 | -57.7 | -175.8 | 0 | 0 | 0 | 110 | L908 S910 A911 I941 W945 V962 S983 K984 I986 I997 | L908-L943 HydrophobicContact CD1-CB 4.41Å; S910-L943 WeakPolarHBondContact O-CA 3.49Å; A911-L943 HydrophobicContact CB-CD2 3.67Å; I941-L943 HydrophobicContact CD1-CD2 3.79Å; I941-L943 HydrophobicContact CG1-CD2 4.04Å; I941-L943 HydrophobicContact CG2-CD2 4.49Å; L943-W945 HydrophobicContact CB-CE3 4.3Å; L943-W945 HydrophobicContact CB-CZ3 4.03Å; L943-V962 HydrophobicContact CD1-CG1 3.73Å; L943-S983 CarbonylContact O-C 3.55Å; L943-S983 VanDerWaalsContact O-CA 3.23Å; L943-S983 WeakPolarHBondContact O-CA 3.49Å; L943-S983 PolarHBondContact O-OG 3.25Å; L943-K984 PolarHBondContact N-O 2.87Å; L943-K984 PolarHBondContact O-N 2.86Å; L943-I986 HydrophobicContact CD1-CD1 3.56Å; L943-I986 HydrophobicContact CG-CD1 4.1Å; L943-I997 HydrophobicContact CD1-CD1 4.23Å; L943-I997 HydrophobicContact CD1-CG2 3.75Å; L943-I997 HydrophobicContact CD2-CD1 3.69Å |
| 944 | S | 88.3 | Confident | 72.6 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139.1 | 171.8 | -42.8 | 0 | 0 | 0 | 0 | 110.3 | L908 I909 S910 H982 S983 | L908-S944 WeakPolarHBondContact CD1-O 3.48Å; I909-S944 WeakPolarHBondContact CA-O 3.18Å; I909-S944 WeakPolarHBondContact CB-O 3Å; I909-S944 PolarHBondContact N-O 2.82Å; S910-S944 PolarHBondContact N-O 2.93Å; S910-S944 PolarHBondContact O-N 2.99Å; S910-S944 PolarHBondContact OG-OG 2.98Å; S944-H982 WeakPolarHBondContact CA-O 3.47Å; S944-S983 PolarHBondContact OG-OG 2.79Å |
| 945 | W | 90.3 | Very high | 74.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.8 | -177.8 | 56.3 | 94.1 | 0 | 0 | 0 | 112.1 | P906 E907 L943 Y960 V962 V977 I981 H982 K984 I999 | P906-W945 HydrophobicContact CB-CB 4.38Å; P906-W945 HydrophobicContact CB-CG 4.37Å; E907-W945 CarbonylContact O-C 3.59Å; E907-W945 WeakPolarHBondContact O-CA 3.46Å; E907-W945 WeakPolarHBondContact O-CB 3.37Å; L943-W945 HydrophobicContact CB-CE3 4.3Å; L943-W945 HydrophobicContact CB-CZ3 4.03Å; W945-Y960 AromaticContact CE2-CD2 3.98Å; W945-Y960 HydrophobicContact CZ2-CD2 4.02Å; W945-Y960 HydrophobicContact CZ2-CG 4.37Å; W945-Y960 AromaticContact NE1-CD1 4Å; W945-Y960 AromaticContact NE1-CD2 3.31Å; W945-Y960 VanDerWaalsContact NE1-CD2 3.31Å; W945-Y960 AromaticContact NE1-CE2 3.48Å; W945-Y960 AromaticContact NE1-CG 3.59Å; W945-Y960 AromaticContact NE1-CZ 3.9Å; W945-V962 HydrophobicContact CH2-CG2 3.99Å; W945-V962 HydrophobicContact CZ2-CG2 4.4Å; W945-V962 HydrophobicContact CZ3-CG2 4.25Å; W945-V977 HydrophobicContact CH2-CG1 4.48Å; W945-V977 HydrophobicContact CH2-CG2 4.32Å; W945-V977 HydrophobicContact CZ2-CG1 4.47Å; W945-V977 HydrophobicContact CZ2-CG2 4.47Å; W945-I981 WeakPolarHBondContact CZ2-O 3.03Å; W945-H982 PolarHBondContact N-O 2.63Å; W945-K984 HydrophobicContact CH2-CB 3.94Å; W945-K984 HydrophobicContact CZ3-CB 4.13Å; W945-I999 HydrophobicContact CB-CD1 4.12Å; W945-I999 HydrophobicContact CD2-CD1 3.74Å; W945-I999 HydrophobicContact CE3-CD1 3.5Å; W945-I999 VanDerWaalsContact CE3-CD1 3.5Å; W945-I999 HydrophobicContact CG-CD1 4.04Å; W945-I999 HydrophobicContact CZ3-CD1 4.14Å |
| 946 | K | 84.1 | Confident | 76.4 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 145.6 | 172.3 | -63 | -175.6 | -168.3 | 164.3 | 0 | 109.9 | E907 I909 | E907-K946 HydrophobicContact CB-CB 4.34Å; E907-K946 HydrophobicContact CB-CD 4.2Å; E907-K946 HydrophobicContact CB-CG 4.34Å; E907-K946 VanDerWaalsContact CD-CE 3.42Å; E907-K946 PolarHBondContact O-N 3.3Å; E907-K946 WeakPolarHBondContact OE1-CE 3.44Å; E907-K946 IonicContact OE1-NZ 3.18Å; E907-K946 PolarHBondContact OE1-NZ 2.92Å; E907-K946 WeakPolarHBondContact OE2-CD 3.42Å; E907-K946 WeakPolarHBondContact OE2-CE 3.49Å; E907-K946 IonicContact OE2-NZ 2.72Å; E907-K946 PolarHBondContact OE2-NZ 3.47Å; I909-K946 HydrophobicContact CD1-CG 3.78Å; I909-K946 HydrophobicContact CG1-CG 3.78Å |
| 947 | P | 84 | Confident | 77.9 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.2 | 171.7 | -17.2 | 29 | 0 | 0 | 0 | 111.5 | Y960 | P947-Y960 WeakPolarHBondContact CA-OH 3.39Š|
| 948 | L | 82.4 | Confident | 79.3 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 136.4 | 174 | -167 | 69.8 | 0 | 0 | 0 | 110.9 | P902 S904 P906 L950 A953 L957 Y960 | P902-L948 HydrophobicContact CB-CD2 3.82Å; S904-L948 WeakPolarHBondContact O-CD1 2.94Å; S904-L948 WeakPolarHBondContact OG-CD1 3.44Å; P906-L948 HydrophobicContact CG-CD1 4.49Å; L948-L950 PolarHBondContact O-N 2.86Å; L948-A953 HydrophobicContact CD2-CB 4.26Å; L948-L957 HydrophobicContact CB-CD2 4.49Å; L948-L957 HydrophobicContact CD2-CD1 4.17Å; L948-Y960 HydrophobicContact CB-CE1 4.18Å; L948-Y960 PolarHBondContact N-OH 2.59Å |
| 949 | E | 76.2 | Confident | 80.6 | Confident | 119 Ų | 119 | 58.4 Ų | 58.4 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 134.8 | 177.1 | -69.8 | -164.9 | -177.6 | 0 | 0 | 112.2 | R951 M952 A953 | E949-R951 PolarHBondContact O-N 2.89Å; E949-R951 VanDerWaalsContact O-N 3.08Å; E949-M952 HydrophobicContact CB-CG 4.29Å; E949-M952 HydrophobicContact CB-SD 4.39Å; E949-M952 PolarHBondContact O-N 3.5Å; E949-A953 PolarHBondContact O-N 3.26Å |
| 950 | L | 68.8 | Low | 81.4 | Confident | 163 Ų | 163 | 52.5 Ų | 52.5 | 85% | 0.853 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.6 | -179.6 | -72.8 | 167.7 | 0 | 0 | 0 | 113.7 | L948 M952 | L948-L950 PolarHBondContact O-N 2.86Å; L950-M952 VanDerWaalsContact C-N 3.35Å |
| 951 | R | 69.7 | Low | 81.9 | Confident | 221 Ų | 221 | 51.5 Ų | 51.5 | 83% | 0.834 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -32.1 | 176.1 | -68.6 | -176 | 177.5 | -174.5 | 0.2 | 112.8 | E949 H954 | E949-R951 PolarHBondContact O-N 2.89Å; E949-R951 VanDerWaalsContact O-N 3.08Å; R951-H954 PolarHBondContact O-CD2 3.04Å; R951-H954 VanDerWaalsContact O-CD2 3.3Å |
| 952 | M | 81.5 | Confident | 82.3 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 35% | 0.345 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -14.5 | -178.8 | -53.9 | 178.5 | -170.1 | 0 | 0 | 112.3 | P902 S903 S904 E949 L950 H954 | P902-M952 CarbonylContact C-O 3.55Å; P902-M952 WeakPolarHBondContact CA-O 3.5Å; S903-M952 PolarHBondContact N-O 3.27Å; S903-M952 PolarHBondContact OG-O 2.77Å; S904-M952 VanDerWaalsContact OG-CB 3.28Å; S904-M952 WeakPolarHBondContact OG-CB 3.5Å; S904-M952 PolarHBondContact OG-SD 2.78Å; E949-M952 HydrophobicContact CB-CG 4.29Å; E949-M952 HydrophobicContact CB-SD 4.39Å; E949-M952 PolarHBondContact O-N 3.5Å; L950-M952 VanDerWaalsContact C-N 3.35Å; M952-H954 VanDerWaalsContact C-N 3.27Å; M952-H954 PolarHBondContact O-N 2.77Å |
| 953 | A | 76.5 | Confident | 82.5 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -67.4 | -21.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L948 E949 G955 N1003 | L948-A953 HydrophobicContact CD2-CB 4.26Å; E949-A953 PolarHBondContact O-N 3.26Å; A953-G955 PolarHBondContact O-N 2.95Å; A953-N1003 PolarHBondContact O-ND2 2.73Å |
| 954 | H | 83.9 | Confident | 82.5 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | trans | 52.5 | 16.4 | 172.8 | -73.1 | -178.1 | 0 | 0 | 0 | 116.9 | P865 F866 D899 A900 P901 S903 R951 M952 | P865-H954 HydrophobicContact CB-CB 4.03Å; F866-H954 WeakPolarHBondContact CB-O 3.31Å; D899-H954 WeakPolarHBondContact CA-O 3.35Å; A900-H954 HydrophobicContact CB-CB 4.21Å; A900-H954 PolarHBondContact N-O 2.9Å; A900-H954 WeakPolarHBondContact O-CB 3.26Å; A900-H954 VanDerWaalsContact O-O 3.12Å; P901-H954 PolarHBondContact O-ND1 3.23Å; P901-H954 VanDerWaalsContact O-ND1 3.13Å; S903-H954 WeakPolarHBondContact CB-CE1 3.39Å; S903-H954 PolarHBondContact OG-CE1 3.37Å; S903-H954 PolarHBondContact OG-NE2 2.75Å; R951-H954 PolarHBondContact O-CD2 3.04Å; R951-H954 VanDerWaalsContact O-CD2 3.3Å; M952-H954 VanDerWaalsContact C-N 3.27Å; M952-H954 PolarHBondContact O-N 2.77Å | ||
| 955 | G | 77.5 | Confident | 82.6 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 171.3 | 176 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D899 A953 L957 | D899-G955 WeakPolarHBondContact OD2-CA 3.41Å; A953-G955 PolarHBondContact O-N 2.95Å; G955-L957 PolarHBondContact O-N 2.03Å |
| 956 | A | 72.5 | Confident | 82.3 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | trans | -69.2 | 114.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F866 L958 N1003 | F866-A956 HydrophobicContact CZ-CB 4.22Å; A956-L958 PolarHBondContact O-N 3.01Å; A956-N1003 WeakPolarHBondContact O-CA 3.11Å; A956-N1003 VanDerWaalsContact O-CB 3.25Å; A956-N1003 WeakPolarHBondContact O-CB 3.43Å | ||
| 957 | L | 77.6 | Confident | 82.1 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 113.2 | -179.7 | -167.8 | 77.2 | 0 | 0 | 0 | 110 | L948 G955 Y960 A979 I1002 | L948-L957 HydrophobicContact CB-CD2 4.49Å; L948-L957 HydrophobicContact CD2-CD1 4.17Å; G955-L957 PolarHBondContact O-N 2.03Å; L957-Y960 HydrophobicContact CD2-CE1 3.92Å; L957-Y960 HydrophobicContact CD2-CE2 4.47Å; L957-A979 HydrophobicContact CD2-CB 4.06Å; L957-A979 HydrophobicContact CG-CB 4.19Å; L957-A979 WeakPolarHBondContact O-CB 3.4Å; L957-I1002 CarbonylContact C-O 3.05Å; L957-I1002 WeakPolarHBondContact CD1-O 3.45Å |
| 958 | L | 82.4 | Confident | 81.8 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -29.6 | 177.8 | -58 | -177.1 | 0 | 0 | 0 | 111.8 | V801 A956 I1002 | V801-L958 HydrophobicContact CG1-CD2 3.89Å; A956-L958 PolarHBondContact O-N 3.01Å; L958-I1002 PolarHBondContact N-O 2.89Å |
| 959 | G | 85.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -163.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V977 I1002 | G959-V977 CarbonylContact C-O 3.56Å; G959-V977 WeakPolarHBondContact CA-O 3.44Å; G959-I1002 PolarHBondContact N-O 2.92Å; G959-I1002 PolarHBondContact O-N 2.89Å |
| 960 | Y | 90.1 | Very high | 81.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.7 | 174.5 | -57.2 | -71.6 | 0 | 0 | 0 | 109.8 | P906 W945 P947 L948 L957 H976 V977 H982 S1000 | P906-Y960 HydrophobicContact CB-CE1 4.38Å; P906-Y960 HydrophobicContact CG-CD1 3.55Å; P906-Y960 HydrophobicContact CG-CE1 3.56Å; W945-Y960 AromaticContact CE2-CD2 3.98Å; W945-Y960 HydrophobicContact CZ2-CD2 4.02Å; W945-Y960 HydrophobicContact CZ2-CG 4.37Å; W945-Y960 AromaticContact NE1-CD1 4Å; W945-Y960 AromaticContact NE1-CD2 3.31Å; W945-Y960 VanDerWaalsContact NE1-CD2 3.31Å; W945-Y960 AromaticContact NE1-CE2 3.48Å; W945-Y960 AromaticContact NE1-CG 3.59Å; W945-Y960 AromaticContact NE1-CZ 3.9Å; P947-Y960 WeakPolarHBondContact CA-OH 3.39Å; L948-Y960 HydrophobicContact CB-CE1 4.18Å; L948-Y960 PolarHBondContact N-OH 2.59Å; L957-Y960 HydrophobicContact CD2-CE1 3.92Å; L957-Y960 HydrophobicContact CD2-CE2 4.47Å; Y960-H976 WeakPolarHBondContact O-CA 3.36Å; Y960-V977 PolarHBondContact N-O 3Å; Y960-V977 PolarHBondContact O-N 3.44Å; Y960-H982 AromaticContact CE2-CD2 3.95Å; Y960-S1000 CarbonylContact C-O 2.93Å; Y960-S1000 VanDerWaalsContact CA-O 3.24Å; Y960-S1000 WeakPolarHBondContact CA-O 3.4Å |
| 961 | A | 91.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | I999 S1000 I1002 E1007 | A961-I999 WeakPolarHBondContact O-CA 3.18Å; A961-S1000 PolarHBondContact N-O 2.83Å; A961-S1000 PolarHBondContact O-N 3.22Å; A961-I1002 HydrophobicContact CB-CD1 3.95Å; A961-I1002 HydrophobicContact CB-CG1 4.24Å; A961-E1007 HydrophobicContact CB-CG 4.28Å |
| 962 | V | 91.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.2 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | L943 W945 I964 S974 L975 V977 I997 Y998 I999 | L943-V962 HydrophobicContact CD1-CG1 3.73Å; W945-V962 HydrophobicContact CH2-CG2 3.99Å; W945-V962 HydrophobicContact CZ2-CG2 4.4Å; W945-V962 HydrophobicContact CZ3-CG2 4.25Å; V962-I964 HydrophobicContact CG1-CG1 4.35Å; V962-S974 WeakPolarHBondContact O-CA 3.27Å; V962-L975 HydrophobicContact CB-CD1 4.13Å; V962-L975 HydrophobicContact CB-CD2 4.49Å; V962-L975 HydrophobicContact CB-CG 3.99Å; V962-L975 PolarHBondContact N-O 3.42Å; V962-L975 PolarHBondContact O-N 2.98Å; V962-V977 HydrophobicContact CG2-CG2 4.05Å; V962-I997 HydrophobicContact CG1-CG2 4.06Å; V962-Y998 WeakPolarHBondContact CA-O 3.32Å; V962-I999 HydrophobicContact CG1-CG1 4.25Å; V962-I999 HydrophobicContact CG2-CD1 4.06Å; V962-I999 HydrophobicContact CG2-CG1 4.02Å; V962-I999 HydrophobicContact CG2-CG2 4.18Å |
| 963 | H | 90.8 | Very high | 83.1 | Confident | 19 Ų | 19 | 49 Ų | 49 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.9 | 177.5 | -54.9 | -81.7 | 0 | 0 | 0 | 109.3 | S974 I997 Y998 E1007 R1010 | H963-S974 WeakPolarHBondContact ND1-CB 3.16Å; H963-S974 PolarHBondContact ND1-OG 3.2Å; H963-I997 WeakPolarHBondContact O-CA 3.46Å; H963-Y998 PolarHBondContact N-O 2.95Å; H963-Y998 PolarHBondContact O-N 2.99Å; H963-E1007 IonicContact CD2-OE1 2.74Å; H963-E1007 IonicContact NE2-OE1 3.47Å; H963-E1007 PolarHBondContact NE2-OE1 3.21Å; H963-E1007 IonicContact NE2-OE2 3.6Å; H963-E1007 PolarHBondContact NE2-OE2 3.41Å; H963-R1010 PolarHBondContact CD2-NE 3.21Å; H963-R1010 PolarHBondContact NE2-NE 2.83Å; H963-R1010 PolarHBondContact NE2-NH2 2.74Å |
| 964 | I | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 109.7 | 173.1 | -61.2 | 175.1 | 0 | 0 | 0 | 106.5 | V962 S972 R973 L975 I986 L989 Y995 I997 | V962-I964 HydrophobicContact CG1-CG1 4.35Å; I964-S972 CarbonylContact O-C 3.54Å; I964-S972 VanDerWaalsContact O-CA 3.23Å; I964-S972 WeakPolarHBondContact O-CA 3.28Å; I964-R973 HydrophobicContact CB-CG 3.95Å; I964-R973 HydrophobicContact CD1-CG 4.16Å; I964-R973 HydrophobicContact CG1-CG 4.46Å; I964-R973 PolarHBondContact N-O 3.15Å; I964-R973 PolarHBondContact O-N 2.84Å; I964-L975 HydrophobicContact CD1-CD2 4.27Å; I964-I986 HydrophobicContact CD1-CD1 3.67Å; I964-I986 HydrophobicContact CD1-CG2 3.91Å; I964-L989 HydrophobicContact CD1-CD1 4.26Å; I964-L989 HydrophobicContact CD1-CD2 4.47Å; I964-L989 HydrophobicContact CG2-CD2 4.2Å; I964-Y995 HydrophobicContact CG2-CD1 3.43Å; I964-Y995 VanDerWaalsContact CG2-CD1 3.43Å; I964-Y995 HydrophobicContact CG2-CE1 4.05Å; I964-Y995 HydrophobicContact CG2-CG 3.93Å; I964-I997 HydrophobicContact CG1-CD1 4.35Å; I964-I997 HydrophobicContact CG1-CG1 4.15Å; I964-I997 HydrophobicContact CG1-CG2 4.17Å; I964-I997 HydrophobicContact CG2-CG1 4.43Å |
| 965 | L | 88.5 | Confident | 83.9 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.4 | -178.3 | -56.8 | -175.5 | 0 | 0 | 0 | 109.8 | S972 Y995 I996 Y998 | L965-S972 WeakPolarHBondContact CA-OG 3.4Å; L965-Y995 CarbonylContact O-C 3.54Å; L965-Y995 WeakPolarHBondContact O-CA 3.3Å; L965-I996 PolarHBondContact N-O 3.3Å; L965-I996 PolarHBondContact O-N 2.84Å; L965-Y998 HydrophobicContact CD1-CD2 4.2Å; L965-Y998 HydrophobicContact CD1-CE2 3.9Å; L965-Y998 HydrophobicContact CG-CD2 4.44Å; L965-Y998 HydrophobicContact CG-CE2 4.4Å |
| 966 | A | 84 | Confident | 84.5 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 12% | 0.116 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 163.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E968 F971 S972 V993 Y995 | A966-E968 WeakPolarHBondContact CB-O 3.48Å; A966-E968 PolarHBondContact O-N 2.88Å; A966-F971 HydrophobicContact CB-CB 3.69Å; A966-S972 PolarHBondContact N-OG 2.9Å; A966-S972 PolarHBondContact O-OG 2.88Å; A966-V993 HydrophobicContact CB-CG1 3.62Å; A966-Y995 HydrophobicContact CB-CD1 3.73Å; A966-Y995 HydrophobicContact CB-CE1 3.73Å |
| 967 | N | 80.6 | Confident | 85 | Confident | 163 Ų | 163 | 54.6 Ų | 54.6 | 87% | 0.872 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -61.3 | -31.8 | 170.4 | -167.5 | 40.6 | 0 | 0 | 0 | 112.1 | ||
| 968 | E | 77.8 | Confident | 85.2 | Confident | 103 Ų | 103 | 54.4 Ų | 54.4 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -100.4 | 121.2 | 170 | -64.2 | -179.4 | -167.3 | 0 | 0 | 110.3 | A966 Q970 F971 | A966-E968 WeakPolarHBondContact CB-O 3.48Å; A966-E968 PolarHBondContact O-N 2.88Å; E968-Q970 HydrophobicContact CB-CG 4.18Å; E968-Q970 PolarHBondContact O-N 3.45Å; E968-Q970 PolarHBondContact OE2-NE2 3.49Å; E968-F971 HydrophobicContact CB-CD2 4.09Å; E968-F971 HydrophobicContact CB-CE2 4.48Å; E968-F971 PolarHBondContact O-N 2.8Å; E968-F971 VanDerWaalsContact O-N 3.08Å; E968-F971 WeakPolarHBondContact OE2-CE2 3.38Å |
| 969 | S | 77.5 | Confident | 84.9 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -58.3 | -24.1 | -174.4 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | F971 S972 | S969-F971 PolarHBondContact O-N 2.87Å; S969-S972 WeakPolarHBondContact O-CB 3.48Å; S969-S972 PolarHBondContact O-N 3.44Å; S969-S972 VanDerWaalsContact O-N 3.15Å |
| 970 | Q | 80 | Confident | 84.4 | Confident | 148 Ų | 148 | 60.5 Ų | 60.5 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -64 | -22.8 | 177.1 | 64 | -179.8 | -15.5 | 0 | 0 | 114.4 | E968 | E968-Q970 HydrophobicContact CB-CG 4.18Å; E968-Q970 PolarHBondContact O-N 3.45Å; E968-Q970 PolarHBondContact OE2-NE2 3.49Å |
| 971 | F | 78 | Confident | 83.8 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -98 | -7.6 | 175.3 | -59.6 | -62.7 | 0 | 0 | 0 | 113.1 | A966 E968 S969 N990 V993 Y995 | A966-F971 HydrophobicContact CB-CB 3.69Å; E968-F971 HydrophobicContact CB-CD2 4.09Å; E968-F971 HydrophobicContact CB-CE2 4.48Å; E968-F971 PolarHBondContact O-N 2.8Å; E968-F971 VanDerWaalsContact O-N 3.08Å; E968-F971 WeakPolarHBondContact OE2-CE2 3.38Å; S969-F971 PolarHBondContact O-N 2.87Å; F971-N990 HydrophobicContact CD1-CB 4.36Å; F971-N990 HydrophobicContact CE1-CB 4.35Å; F971-V993 HydrophobicContact CB-CG1 4.38Å; F971-V993 HydrophobicContact CD2-CG1 4.17Å; F971-V993 HydrophobicContact CD2-CG2 3.76Å; F971-V993 HydrophobicContact CE2-CG2 3.85Å; F971-V993 HydrophobicContact CG-CG1 4.49Å; F971-V993 HydrophobicContact CG-CG2 4.25Å; F971-V993 HydrophobicContact CZ-CG2 4.4Å; F971-Y995 HydrophobicContact CB-CE1 3.96Å; F971-Y995 WeakPolarHBondContact O-CE1 3.46Å |
| 972 | S | 85.7 | Confident | 83.3 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | trans | -74.4 | 136.1 | -180 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | I964 L965 A966 S969 | I964-S972 CarbonylContact O-C 3.54Å; I964-S972 VanDerWaalsContact O-CA 3.23Å; I964-S972 WeakPolarHBondContact O-CA 3.28Å; L965-S972 WeakPolarHBondContact CA-OG 3.4Å; A966-S972 PolarHBondContact N-OG 2.9Å; A966-S972 PolarHBondContact O-OG 2.88Å; S969-S972 WeakPolarHBondContact O-CB 3.48Å; S969-S972 PolarHBondContact O-N 3.44Å; S969-S972 VanDerWaalsContact O-N 3.15Å | ||
| 973 | R | 84.7 | Confident | 82.9 | Confident | 96 Ų | 96 | 69 Ų | 69 | 36% | 0.362 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141.6 | 175.7 | 64.8 | -176.9 | -66.5 | 171.9 | 1.4 | 111.5 | I964 L975 H987 | I964-R973 HydrophobicContact CB-CG 3.95Å; I964-R973 HydrophobicContact CD1-CG 4.16Å; I964-R973 HydrophobicContact CG1-CG 4.46Å; I964-R973 PolarHBondContact N-O 3.15Å; I964-R973 PolarHBondContact O-N 2.84Å; R973-L975 HydrophobicContact CG-CD2 4.14Å; R973-H987 PolarHBondContact NH1-O 2.62Å |
| 974 | S | 88.7 | Confident | 82.6 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.6 | 165.2 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | V962 H963 | V962-S974 WeakPolarHBondContact O-CA 3.27Å; H963-S974 WeakPolarHBondContact ND1-CB 3.16Å; H963-S974 PolarHBondContact ND1-OG 3.2Å |
| 975 | L | 88.7 | Confident | 82.5 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.9 | 176.4 | 49.9 | 135.7 | 0 | 0 | 0 | 110.5 | V962 I964 R973 V977 K984 I986 | V962-L975 HydrophobicContact CB-CD1 4.13Å; V962-L975 HydrophobicContact CB-CD2 4.49Å; V962-L975 HydrophobicContact CB-CG 3.99Å; V962-L975 PolarHBondContact N-O 3.42Å; V962-L975 PolarHBondContact O-N 2.98Å; I964-L975 HydrophobicContact CD1-CD2 4.27Å; R973-L975 HydrophobicContact CG-CD2 4.14Å; L975-V977 HydrophobicContact CD1-CG2 4.03Å; L975-K984 HydrophobicContact CD1-CG 4.35Å; L975-I986 HydrophobicContact CD1-CD1 3.78Å; L975-I986 HydrophobicContact CD1-CG1 4.3Å; L975-I986 HydrophobicContact CD2-CD1 3.99Å |
| 976 | H | 89.1 | Confident | 82.3 | Confident | 112 Ų | 112 | 72.1 Ų | 72.1 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142.2 | 171 | -63.2 | -83.3 | 0 | 0 | 0 | 109.6 | Y960 I1002 | Y960-H976 WeakPolarHBondContact O-CA 3.36Å; H976-I1002 WeakPolarHBondContact ND1-CD1 3.49Å |
| 977 | V | 85.1 | Confident | 82.2 | Confident | 6 Ų | 6 | 76.7 Ų | 76.7 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.3 | -173.3 | -151.4 | 0 | 0 | 0 | 0 | 108.7 | W945 G959 Y960 V962 L975 I981 | W945-V977 HydrophobicContact CH2-CG1 4.48Å; W945-V977 HydrophobicContact CH2-CG2 4.32Å; W945-V977 HydrophobicContact CZ2-CG1 4.47Å; W945-V977 HydrophobicContact CZ2-CG2 4.47Å; G959-V977 CarbonylContact C-O 3.56Å; G959-V977 WeakPolarHBondContact CA-O 3.44Å; Y960-V977 PolarHBondContact N-O 3Å; Y960-V977 PolarHBondContact O-N 3.44Å; V962-V977 HydrophobicContact CG2-CG2 4.05Å; L975-V977 HydrophobicContact CD1-CG2 4.03Å; V977-I981 HydrophobicContact CG1-CB 3.64Å; V977-I981 HydrophobicContact CG1-CD1 3.9Å; V977-I981 HydrophobicContact CG1-CG1 4.34Å; V977-I981 HydrophobicContact CG1-CG2 3.53Å |
| 978 | S | 79.7 | Confident | 82.1 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 149 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | E980 I981 | S978-E980 PolarHBondContact O-N 2.85Å; S978-E980 VanDerWaalsContact O-N 3.12Å; S978-I981 PolarHBondContact O-N 2.84Å |
| 979 | A | 76.2 | Confident | 82.2 | Confident | 24 Ų | 24 | 66.7 Ų | 66.7 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L957 I981 H982 | L957-A979 HydrophobicContact CD2-CB 4.06Å; L957-A979 HydrophobicContact CG-CB 4.19Å; L957-A979 WeakPolarHBondContact O-CB 3.4Å; A979-I981 VanDerWaalsContact C-N 3.27Å; A979-I981 PolarHBondContact O-N 2.92Å; A979-H982 PolarHBondContact O-NE2 2.92Å |
| 980 | E | 75.3 | Confident | 82.3 | Confident | 168 Ų | 168 | 63.9 Ų | 63.9 | 79% | 0.785 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.1 | 177 | -59.1 | 176.4 | 157.2 | 0 | 0 | 113.7 | S978 | S978-E980 PolarHBondContact O-N 2.85Å; S978-E980 VanDerWaalsContact O-N 3.12Å |
| 981 | I | 77 | Confident | 82 | Confident | 59 Ų | 59 | 57 Ų | 57 | 30% | 0.303 | 31% | 0.307 | S | S | . | . | trans | -103.2 | 111.8 | -170.1 | -59.4 | 173.8 | 0 | 0 | 0 | 110.1 | W945 V977 S978 A979 S983 | W945-I981 WeakPolarHBondContact CZ2-O 3.03Å; V977-I981 HydrophobicContact CG1-CB 3.64Å; V977-I981 HydrophobicContact CG1-CD1 3.9Å; V977-I981 HydrophobicContact CG1-CG1 4.34Å; V977-I981 HydrophobicContact CG1-CG2 3.53Å; S978-I981 PolarHBondContact O-N 2.84Å; A979-I981 VanDerWaalsContact C-N 3.27Å; A979-I981 PolarHBondContact O-N 2.92Å; I981-S983 VanDerWaalsContact CG2-O 3.24Å; I981-S983 WeakPolarHBondContact CG2-O 3.45Å | ||
| 982 | H | 81.5 | Confident | 81.9 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -106 | -1.5 | 179.8 | -54 | 119.6 | 0 | 0 | 0 | 113.7 | S944 W945 Y960 A979 | S944-H982 WeakPolarHBondContact CA-O 3.47Å; W945-H982 PolarHBondContact N-O 2.63Å; Y960-H982 AromaticContact CE2-CD2 3.95Å; A979-H982 PolarHBondContact O-NE2 2.92Å |
| 983 | S | 82.9 | Confident | 81.7 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 138.3 | 174 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | L943 S944 I981 | L943-S983 CarbonylContact O-C 3.55Å; L943-S983 VanDerWaalsContact O-CA 3.23Å; L943-S983 WeakPolarHBondContact O-CA 3.49Å; L943-S983 PolarHBondContact O-OG 3.25Å; S944-S983 PolarHBondContact OG-OG 2.79Å; I981-S983 VanDerWaalsContact CG2-O 3.24Å; I981-S983 WeakPolarHBondContact CG2-O 3.45Å |
| 984 | K | 85.3 | Confident | 81.6 | Confident | 88 Ų | 88 | 58.1 Ų | 58.1 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 121.9 | -176.2 | -169.9 | 64.9 | 175.8 | -177.5 | 0 | 110.6 | L943 W945 L975 I986 | L943-K984 PolarHBondContact N-O 2.87Å; L943-K984 PolarHBondContact O-N 2.86Å; W945-K984 HydrophobicContact CH2-CB 3.94Å; W945-K984 HydrophobicContact CZ3-CB 4.13Å; L975-K984 HydrophobicContact CD1-CG 4.35Å; K984-I986 HydrophobicContact CG-CG1 4Å |
| 985 | N | 85.7 | Confident | 81.5 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 134.4 | 162.9 | -56.6 | -30.2 | 0 | 0 | 0 | 108.6 | L914 I941 R942 H987 | L914-N985 HydrophobicContact CD1-CB 4.43Å; I941-N985 CarbonylContact O-C 3.56Å; I941-N985 WeakPolarHBondContact O-CA 3.32Å; R942-N985 PolarHBondContact NE-OD1 3.48Å; N985-H987 WeakPolarHBondContact CB-NE2 3.31Å |
| 986 | I | 84.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 114.3 | -177.7 | -60.3 | 178 | 0 | 0 | 0 | 107.6 | S940 I941 L943 I964 L975 K984 L989 | S940-I986 WeakPolarHBondContact CA-O 3.46Å; I941-I986 HydrophobicContact CG2-CB 3.87Å; I941-I986 PolarHBondContact N-O 3.23Å; I941-I986 PolarHBondContact O-N 3.18Å; L943-I986 HydrophobicContact CD1-CD1 3.56Å; L943-I986 HydrophobicContact CG-CD1 4.1Å; I964-I986 HydrophobicContact CD1-CD1 3.67Å; I964-I986 HydrophobicContact CD1-CG2 3.91Å; L975-I986 HydrophobicContact CD1-CD1 3.78Å; L975-I986 HydrophobicContact CD1-CG1 4.3Å; L975-I986 HydrophobicContact CD2-CD1 3.99Å; K984-I986 HydrophobicContact CG-CG1 4Å; I986-L989 HydrophobicContact CG2-CD1 4.36Å; I986-L989 HydrophobicContact CG2-CG 4.32Å |
| 987 | H | 82.9 | Confident | 81.5 | Confident | 109 Ų | 109 | 50.7 Ų | 50.7 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 154.5 | -174.4 | -52.6 | -80 | 0 | 0 | 0 | 110.7 | E939 S940 R973 N985 | E939-H987 CarbonylContact O-C 3.58Å; S940-H987 WeakPolarHBondContact CB-ND1 3.41Å; S940-H987 PolarHBondContact OG-ND1 2.81Å; R973-H987 PolarHBondContact NH1-O 2.62Å; N985-H987 WeakPolarHBondContact CB-NE2 3.31Å |
| 988 | G | 77.7 | Confident | 81.9 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | trans | 80.5 | 32.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E939 | E939-G988 PolarHBondContact O-N 2.79Š| ||
| 989 | L | 80.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | trans | -95.2 | 137.1 | 167.1 | -63.8 | -176.7 | 0 | 0 | 0 | 109.4 | W913 E939 I941 I964 I986 P991 Y995 | W913-L989 HydrophobicContact CH2-CB 3.97Å; W913-L989 HydrophobicContact CZ3-CB 4.06Å; E939-L989 CarbonylContact C-O 3.59Å; E939-L989 WeakPolarHBondContact CA-O 3.39Å; E939-L989 WeakPolarHBondContact CB-O 3.09Å; E939-L989 PolarHBondContact O-N 2.91Å; I941-L989 HydrophobicContact CB-CD1 4.32Å; I941-L989 HydrophobicContact CG2-CD1 3.46Å; I941-L989 VanDerWaalsContact CG2-CD1 3.46Å; I964-L989 HydrophobicContact CD1-CD1 4.26Å; I964-L989 HydrophobicContact CD1-CD2 4.47Å; I964-L989 HydrophobicContact CG2-CD2 4.2Å; I986-L989 HydrophobicContact CG2-CD1 4.36Å; I986-L989 HydrophobicContact CG2-CG 4.32Å; L989-P991 VanDerWaalsContact O-CD 3.29Å; L989-P991 WeakPolarHBondContact O-CD 3.39Å; L989-Y995 HydrophobicContact CB-CE2 3.99Å; L989-Y995 HydrophobicContact CD2-CE1 4.05Å; L989-Y995 HydrophobicContact CD2-CE2 4.42Å | ||
| 990 | N | 79.7 | Confident | 83.2 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | trans | -76.8 | 113.5 | 178.1 | -179.3 | -11 | 0 | 0 | 0 | 109.5 | F971 F992 V993 Y995 | F971-N990 HydrophobicContact CD1-CB 4.36Å; F971-N990 HydrophobicContact CE1-CB 4.35Å; N990-F992 PolarHBondContact O-N 2.68Å; N990-F992 WeakPolarHBondContact OD1-CB 3.14Å; N990-F992 WeakPolarHBondContact OD1-CD2 3.03Å; N990-F992 PolarHBondContact OD1-N 2.82Å; N990-V993 HydrophobicContact CB-CB 4.28Å; N990-V993 HydrophobicContact CB-CG2 3.84Å; N990-V993 PolarHBondContact O-N 3.48Å; N990-Y995 PolarHBondContact N-OH 3.24Å; N990-Y995 WeakPolarHBondContact O-CE2 3.39Å | ||
| 991 | P | 73.3 | Confident | 83.8 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -6.5 | -176.8 | 27.2 | -34.6 | 0 | 0 | 0 | 114.7 | W913 P937 L989 S1018 I1019 | W913-P991 HydrophobicContact CH2-CB 4.1Å; W913-P991 HydrophobicContact CZ2-CB 4.42Å; W913-P991 HydrophobicContact CZ3-CB 4.22Å; P937-P991 HydrophobicContact CB-CB 3.66Å; P937-P991 HydrophobicContact CB-CG 3.83Å; P937-P991 HydrophobicContact CG-CB 3.84Å; P937-P991 HydrophobicContact CG-CG 3.55Å; L989-P991 VanDerWaalsContact O-CD 3.29Å; L989-P991 WeakPolarHBondContact O-CD 3.39Å; P991-S1018 WeakPolarHBondContact O-CA 3.14Å; P991-I1019 HydrophobicContact CB-CD1 4.07Å; P991-I1019 PolarHBondContact O-N 2.71Å |
| 992 | F | 76 | Confident | 84.3 | Confident | 120 Ų | 120 | 41.4 Ų | 41.4 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.6 | 175.6 | -51.5 | -65.5 | 0 | 0 | 0 | 113.5 | P937 N990 S1018 A1020 | P937-F992 HydrophobicContact CG-CE1 3.82Å; P937-F992 HydrophobicContact CG-CE2 4.21Å; P937-F992 HydrophobicContact CG-CZ 3.49Å; P937-F992 VanDerWaalsContact CG-CZ 3.49Å; N990-F992 PolarHBondContact O-N 2.68Å; N990-F992 WeakPolarHBondContact OD1-CB 3.14Å; N990-F992 WeakPolarHBondContact OD1-CD2 3.03Å; N990-F992 PolarHBondContact OD1-N 2.82Å; F992-S1018 VanDerWaalsContact C-CB 3.41Å; F992-S1018 WeakPolarHBondContact O-CB 3.2Å; F992-A1020 HydrophobicContact CD1-CB 4.15Å |
| 993 | V | 80.6 | Confident | 84.4 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -110.3 | 136.5 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | A966 F971 N990 Y995 | A966-V993 HydrophobicContact CB-CG1 3.62Å; F971-V993 HydrophobicContact CB-CG1 4.38Å; F971-V993 HydrophobicContact CD2-CG1 4.17Å; F971-V993 HydrophobicContact CD2-CG2 3.76Å; F971-V993 HydrophobicContact CE2-CG2 3.85Å; F971-V993 HydrophobicContact CG-CG1 4.49Å; F971-V993 HydrophobicContact CG-CG2 4.25Å; F971-V993 HydrophobicContact CZ-CG2 4.4Å; N990-V993 HydrophobicContact CB-CB 4.28Å; N990-V993 HydrophobicContact CB-CG2 3.84Å; N990-V993 PolarHBondContact O-N 3.48Å; V993-Y995 HydrophobicContact CB-CE2 3.91Å; V993-Y995 HydrophobicContact CG1-CD1 4.45Å; V993-Y995 HydrophobicContact CG1-CD2 4.42Å; V993-Y995 HydrophobicContact CG1-CE1 4.12Å; V993-Y995 HydrophobicContact CG1-CE2 4.07Å; V993-Y995 VanDerWaalsContact O-CD2 3.24Å; V993-Y995 WeakPolarHBondContact O-CD2 3.23Å; V993-Y995 WeakPolarHBondContact O-CE2 3.49Å |
| 994 | D | 82.8 | Confident | 84.2 | Confident | 82 Ų | 82 | 37.8 Ų | 37.8 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | trans | -78.1 | 130.5 | 170.7 | -78.2 | 9.3 | 0 | 0 | 0 | 109.9 | S1018 | D994-S1018 WeakPolarHBondContact OD1-CB 3.43Å; D994-S1018 PolarHBondContact OD1-N 3.46Å; D994-S1018 PolarHBondContact OD1-OG 2.91Å | ||
| 995 | Y | 86.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.5 | -179 | -65.7 | -81.9 | 0 | 0 | 0 | 111.9 | I964 L965 A966 F971 L989 N990 V993 L1016 | I964-Y995 HydrophobicContact CG2-CD1 3.43Å; I964-Y995 VanDerWaalsContact CG2-CD1 3.43Å; I964-Y995 HydrophobicContact CG2-CE1 4.05Å; I964-Y995 HydrophobicContact CG2-CG 3.93Å; L965-Y995 CarbonylContact O-C 3.54Å; L965-Y995 WeakPolarHBondContact O-CA 3.3Å; A966-Y995 HydrophobicContact CB-CD1 3.73Å; A966-Y995 HydrophobicContact CB-CE1 3.73Å; F971-Y995 HydrophobicContact CB-CE1 3.96Å; F971-Y995 WeakPolarHBondContact O-CE1 3.46Å; L989-Y995 HydrophobicContact CB-CE2 3.99Å; L989-Y995 HydrophobicContact CD2-CE1 4.05Å; L989-Y995 HydrophobicContact CD2-CE2 4.42Å; N990-Y995 PolarHBondContact N-OH 3.24Å; N990-Y995 WeakPolarHBondContact O-CE2 3.39Å; V993-Y995 HydrophobicContact CB-CE2 3.91Å; V993-Y995 HydrophobicContact CG1-CD1 4.45Å; V993-Y995 HydrophobicContact CG1-CD2 4.42Å; V993-Y995 HydrophobicContact CG1-CE1 4.12Å; V993-Y995 HydrophobicContact CG1-CE2 4.07Å; V993-Y995 VanDerWaalsContact O-CD2 3.24Å; V993-Y995 WeakPolarHBondContact O-CD2 3.23Å; V993-Y995 WeakPolarHBondContact O-CE2 3.49Å; Y995-L1016 HydrophobicContact CD2-CD2 4.18Å; Y995-L1016 PolarHBondContact N-O 2.98Å; Y995-L1016 PolarHBondContact O-N 2.89Å |
| 996 | I | 89.2 | Confident | 83.9 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 24% | 0.236 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.2 | 171.3 | -45.2 | 178.3 | 0 | 0 | 0 | 108.3 | L965 Y998 Y1014 H1015 | L965-I996 PolarHBondContact N-O 3.3Å; L965-I996 PolarHBondContact O-N 2.84Å; I996-Y998 HydrophobicContact CB-CE2 3.98Å; I996-Y998 HydrophobicContact CG2-CD2 4.3Å; I996-Y998 HydrophobicContact CG2-CE2 3.49Å; I996-Y998 VanDerWaalsContact CG2-CE2 3.49Å; I996-Y1014 WeakPolarHBondContact CA-O 3.49Å; I996-H1015 VanDerWaalsContact CD1-CE1 3.45Å; I996-H1015 WeakPolarHBondContact CD1-CE1 3.35Å |
| 997 | I | 89.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.4 | -171.6 | -51.1 | -174 | 0 | 0 | 0 | 110.2 | I941 L943 V962 H963 I964 Y1014 L1016 | I941-I997 HydrophobicContact CD1-CD1 4.31Å; L943-I997 HydrophobicContact CD1-CD1 4.23Å; L943-I997 HydrophobicContact CD1-CG2 3.75Å; L943-I997 HydrophobicContact CD2-CD1 3.69Å; V962-I997 HydrophobicContact CG1-CG2 4.06Å; H963-I997 WeakPolarHBondContact O-CA 3.46Å; I964-I997 HydrophobicContact CG1-CD1 4.35Å; I964-I997 HydrophobicContact CG1-CG1 4.15Å; I964-I997 HydrophobicContact CG1-CG2 4.17Å; I964-I997 HydrophobicContact CG2-CG1 4.43Å; I997-Y1014 PolarHBondContact N-O 3.21Å; I997-Y1014 PolarHBondContact O-N 3.33Å; I997-L1016 HydrophobicContact CD1-CB 4.46Å |
| 998 | Y | 92.1 | Very high | 84.3 | Confident | 69 Ų | 69 | 37 Ų | 37 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.9 | 177.7 | -58.5 | -95.6 | 0 | 0 | 0 | 110 | V962 H963 L965 I996 R1010 S1011 | V962-Y998 WeakPolarHBondContact CA-O 3.32Å; H963-Y998 PolarHBondContact N-O 2.95Å; H963-Y998 PolarHBondContact O-N 2.99Å; L965-Y998 HydrophobicContact CD1-CD2 4.2Å; L965-Y998 HydrophobicContact CD1-CE2 3.9Å; L965-Y998 HydrophobicContact CG-CD2 4.44Å; L965-Y998 HydrophobicContact CG-CE2 4.4Å; I996-Y998 HydrophobicContact CB-CE2 3.98Å; I996-Y998 HydrophobicContact CG2-CD2 4.3Å; I996-Y998 HydrophobicContact CG2-CE2 3.49Å; I996-Y998 VanDerWaalsContact CG2-CE2 3.49Å; Y998-R1010 HydrophobicContact CD1-CB 4.44Å; Y998-S1011 WeakPolarHBondContact CD1-O 3.12Å |
| 999 | I | 91.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.7 | 174.1 | -51.6 | -168.1 | 0 | 0 | 0 | 110.1 | P906 L908 W945 A961 V962 R1010 S1011 | P906-I999 HydrophobicContact CB-CG2 4.01Å; P906-I999 HydrophobicContact CG-CG2 3.85Å; L908-I999 HydrophobicContact CD1-CD1 3.67Å; W945-I999 HydrophobicContact CB-CD1 4.12Å; W945-I999 HydrophobicContact CD2-CD1 3.74Å; W945-I999 HydrophobicContact CE3-CD1 3.5Å; W945-I999 VanDerWaalsContact CE3-CD1 3.5Å; W945-I999 HydrophobicContact CG-CD1 4.04Å; W945-I999 HydrophobicContact CZ3-CD1 4.14Å; A961-I999 WeakPolarHBondContact O-CA 3.18Å; V962-I999 HydrophobicContact CG1-CG1 4.25Å; V962-I999 HydrophobicContact CG2-CD1 4.06Å; V962-I999 HydrophobicContact CG2-CG1 4.02Å; V962-I999 HydrophobicContact CG2-CG2 4.18Å; I999-R1010 CarbonylContact O-C 3.57Å; I999-S1011 PolarHBondContact N-OG 2.87Å; I999-S1011 WeakPolarHBondContact O-CB 3.46Å; I999-S1011 PolarHBondContact O-N 2.79Å |
| 1000 | S | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.3 | 176.7 | 40.5 | 0 | 0 | 0 | 0 | 110.8 | Y960 A961 E1007 V1009 | Y960-S1000 CarbonylContact C-O 2.93Å; Y960-S1000 VanDerWaalsContact CA-O 3.24Å; Y960-S1000 WeakPolarHBondContact CA-O 3.4Å; A961-S1000 PolarHBondContact N-O 2.83Å; A961-S1000 PolarHBondContact O-N 3.22Å; S1000-E1007 WeakPolarHBondContact CB-OE1 3.41Å; S1000-E1007 VanDerWaalsContact OG-CD 3.25Å; S1000-E1007 VanDerWaalsContact OG-CG 3.31Å; S1000-E1007 WeakPolarHBondContact OG-CG 3.12Å; S1000-E1007 PolarHBondContact OG-OE1 3.1Å; S1000-V1009 WeakPolarHBondContact CA-O 2.85Å; S1000-V1009 WeakPolarHBondContact CB-O 3.3Å |
| 1001 | G | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 154.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1008 | G1001-G1008 PolarHBondContact O-N 3.06Å |
| 1002 | I | 87.3 | Confident | 86.2 | Confident | 28 Ų | 28 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.5 | 175.6 | -47.3 | 172.8 | 0 | 0 | 0 | 108.9 | L957 L958 G959 A961 H976 G1006 | L957-I1002 CarbonylContact C-O 3.05Å; L957-I1002 WeakPolarHBondContact CD1-O 3.45Å; L958-I1002 PolarHBondContact N-O 2.89Å; G959-I1002 PolarHBondContact N-O 2.92Å; G959-I1002 PolarHBondContact O-N 2.89Å; A961-I1002 HydrophobicContact CB-CD1 3.95Å; A961-I1002 HydrophobicContact CB-CG1 4.24Å; H976-I1002 WeakPolarHBondContact ND1-CD1 3.49Å; I1002-G1006 WeakPolarHBondContact CA-O 3.28Å |
| 1003 | N | 85.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | -173.7 | 169.2 | 73.6 | 15.5 | 0 | 0 | 0 | 111 | A900 P902 A953 A956 K1005 G1006 | A900-N1003 PolarHBondContact O-ND2 2.79Å; P902-N1003 WeakPolarHBondContact CD-ND2 3.38Å; P902-N1003 HydrophobicContact CG-CB 4.27Å; A953-N1003 PolarHBondContact O-ND2 2.73Å; A956-N1003 WeakPolarHBondContact O-CA 3.11Å; A956-N1003 VanDerWaalsContact O-CB 3.25Å; A956-N1003 WeakPolarHBondContact O-CB 3.43Å; N1003-K1005 PolarHBondContact O-N 2.87Å; N1003-K1005 VanDerWaalsContact O-N 3.1Å; N1003-K1005 WeakPolarHBondContact OD1-CA 3.3Å; N1003-K1005 WeakPolarHBondContact OD1-CB 3.27Å; N1003-K1005 PolarHBondContact OD1-N 2.93Å; N1003-G1006 PolarHBondContact N-O 3.05Å; N1003-G1006 PolarHBondContact O-N 2.7Å; N1003-G1006 VanDerWaalsContact O-N 3.08Å; N1003-G1006 PolarHBondContact OD1-N 2.74Å |
| 1004 | C | 78 | Confident | 86.8 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 31% | 0.311 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -10.5 | -179.8 | -82.9 | 0 | 0 | 0 | 0 | 115.9 | C803 | C803-C1004 WeakPolarHBondContact CA-SG 3Å; C803-C1004 HydrophobicContact CB-CB 3.66Å; C803-C1004 WeakPolarHBondContact CB-SG 3.47Å; C803-C1004 WeakPolarHBondContact SG-CA 3.16Å; C803-C1004 WeakPolarHBondContact SG-CB 3.32Å; C803-C1004 CovalentContact SG-SG 2.04Å; C803-C1004 PolarHBondContact SG-SG 2.85Å |
| 1005 | K | 83 | Confident | 86.9 | Confident | 137 Ų | 137 | 48.7 Ų | 48.7 | 60% | 0.596 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -21 | 173 | -163.6 | 61 | 171.3 | -175.3 | 0 | 113.3 | D899 P901 N1003 | D899-K1005 HydrophobicContact CB-CB 4.25Å; P901-K1005 HydrophobicContact CG-CB 4.38Å; P901-K1005 HydrophobicContact CG-CG 3.92Å; N1003-K1005 PolarHBondContact O-N 2.87Å; N1003-K1005 VanDerWaalsContact O-N 3.1Å; N1003-K1005 WeakPolarHBondContact OD1-CA 3.3Å; N1003-K1005 WeakPolarHBondContact OD1-CB 3.27Å; N1003-K1005 PolarHBondContact OD1-N 2.93Å |
| 1006 | G | 82.6 | Confident | 86.5 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.1 | -164.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1002 N1003 | I1002-G1006 WeakPolarHBondContact CA-O 3.28Å; N1003-G1006 PolarHBondContact N-O 3.05Å; N1003-G1006 PolarHBondContact O-N 2.7Å; N1003-G1006 VanDerWaalsContact O-N 3.08Å; N1003-G1006 PolarHBondContact OD1-N 2.74Å |
| 1007 | E | 88.7 | Confident | 85.7 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 137.9 | 167.7 | -159.6 | -161.2 | 141.8 | 0 | 0 | 110.1 | A961 H963 S1000 R1010 | A961-E1007 HydrophobicContact CB-CG 4.28Å; H963-E1007 IonicContact CD2-OE1 2.74Å; H963-E1007 IonicContact NE2-OE1 3.47Å; H963-E1007 PolarHBondContact NE2-OE1 3.21Å; H963-E1007 IonicContact NE2-OE2 3.6Å; H963-E1007 PolarHBondContact NE2-OE2 3.41Å; S1000-E1007 WeakPolarHBondContact CB-OE1 3.41Å; S1000-E1007 VanDerWaalsContact OG-CD 3.25Å; S1000-E1007 VanDerWaalsContact OG-CG 3.31Å; S1000-E1007 WeakPolarHBondContact OG-CG 3.12Å; S1000-E1007 PolarHBondContact OG-OE1 3.1Å; E1007-R1010 WeakPolarHBondContact OE1-CG 3.43Å; E1007-R1010 IonicContact OE1-CZ 2.69Å; E1007-R1010 IonicContact OE1-NE 2.68Å; E1007-R1010 PolarHBondContact OE1-NE 2.89Å; E1007-R1010 IonicContact OE1-NH2 3.8Å; E1007-R1010 PolarHBondContact OE1-NH2 3.36Å; E1007-R1010 VanDerWaalsContact OE1-NH2 3.15Å; E1007-R1010 IonicContact OE2-CZ 2.9Å; E1007-R1010 IonicContact OE2-NE 2.7Å; E1007-R1010 IonicContact OE2-NH2 3.18Å; E1007-R1010 PolarHBondContact OE2-NH2 2.89Å |
| 1008 | G | 87.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -158.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P902 G1001 R1010 | P902-G1008 VanDerWaalsContact O-CA 3.27Å; P902-G1008 WeakPolarHBondContact O-CA 3.48Å; G1001-G1008 PolarHBondContact O-N 3.06Å; G1008-R1010 PolarHBondContact O-N 3.09Å |
| 1009 | V | 89.1 | Confident | 83.3 | Confident | 72 Ų | 72 | 57 Ų | 57 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.6 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | P902 S903 S905 S1000 | P902-V1009 PolarHBondContact O-N 3.39Å; P902-V1009 VanDerWaalsContact O-N 3.14Å; S903-V1009 WeakPolarHBondContact O-CG2 3.28Å; S905-V1009 WeakPolarHBondContact CA-O 3.39Å; S905-V1009 WeakPolarHBondContact CB-O 3.31Å; S1000-V1009 WeakPolarHBondContact CA-O 2.85Å; S1000-V1009 WeakPolarHBondContact CB-O 3.3Å |
| 1010 | R | 90.1 | Very high | 81.5 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 143.3 | 173.4 | -70.9 | 178.6 | -178.8 | 159.4 | 8.3 | 111.2 | H963 Y998 I999 E1007 G1008 | H963-R1010 PolarHBondContact CD2-NE 3.21Å; H963-R1010 PolarHBondContact NE2-NE 2.83Å; H963-R1010 PolarHBondContact NE2-NH2 2.74Å; Y998-R1010 HydrophobicContact CD1-CB 4.44Å; I999-R1010 CarbonylContact O-C 3.57Å; E1007-R1010 WeakPolarHBondContact OE1-CG 3.43Å; E1007-R1010 IonicContact OE1-CZ 2.69Å; E1007-R1010 IonicContact OE1-NE 2.68Å; E1007-R1010 PolarHBondContact OE1-NE 2.89Å; E1007-R1010 IonicContact OE1-NH2 3.8Å; E1007-R1010 PolarHBondContact OE1-NH2 3.36Å; E1007-R1010 VanDerWaalsContact OE1-NH2 3.15Å; E1007-R1010 IonicContact OE2-CZ 2.9Å; E1007-R1010 IonicContact OE2-NE 2.7Å; E1007-R1010 IonicContact OE2-NH2 3.18Å; E1007-R1010 PolarHBondContact OE2-NH2 2.89Å; G1008-R1010 PolarHBondContact O-N 3.09Å |
| 1011 | S | 88.3 | Confident | 79.3 | Confident | 13 Ų | 13 | 63 Ų | 63 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 168.2 | 177.8 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | S905 Y998 I999 G1013 | S905-S1011 VanDerWaalsContact CB-CA 3.41Å; S905-S1011 VanDerWaalsContact CB-N 3.26Å; S905-S1011 WeakPolarHBondContact OG-CA 3.34Å; Y998-S1011 WeakPolarHBondContact CD1-O 3.12Å; I999-S1011 PolarHBondContact N-OG 2.87Å; I999-S1011 WeakPolarHBondContact O-CB 3.46Å; I999-S1011 PolarHBondContact O-N 2.79Å; S1011-G1013 PolarHBondContact O-N 2.88Å |
| 1012 | S | 81.9 | Confident | 77.2 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 77% | 0.769 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -53 | 137.3 | 155.4 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | Y1014 | S1012-Y1014 PolarHBondContact O-N 2.79Š|
| 1013 | G | 84 | Confident | 74.7 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | trans | -73.2 | 112.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1011 H1015 | S1011-G1013 PolarHBondContact O-N 2.88Å; G1013-H1015 PolarHBondContact O-CD2 3.34Å; G1013-H1015 PolarHBondContact O-N 3.12Å | ||
| 1014 | Y | 84.7 | Confident | 72.3 | Confident | 106 Ų | 106 | 80.9 Ų | 80.9 | 42% | 0.416 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 114.1 | 178.3 | -173.5 | -85.2 | 0 | 0 | 0 | 110.3 | L908 A911 I996 I997 S1012 L1016 | L908-Y1014 VanDerWaalsContact CD2-CB 3.48Å; L908-Y1014 HydrophobicContact CD2-CD1 4.13Å; L908-Y1014 HydrophobicContact CD2-CD2 3.65Å; L908-Y1014 HydrophobicContact CD2-CE2 4.4Å; L908-Y1014 HydrophobicContact CD2-CG 3.47Å; L908-Y1014 VanDerWaalsContact CD2-CG 3.47Å; A911-Y1014 HydrophobicContact CB-CD1 3.85Å; A911-Y1014 HydrophobicContact CB-CE1 3.47Å; A911-Y1014 VanDerWaalsContact CB-CE1 3.47Å; I996-Y1014 WeakPolarHBondContact CA-O 3.49Å; I997-Y1014 PolarHBondContact N-O 3.21Å; I997-Y1014 PolarHBondContact O-N 3.33Å; S1012-Y1014 PolarHBondContact O-N 2.79Å; Y1014-L1016 PolarHBondContact O-N 2.75Å |
| 1015 | H | 85.3 | Confident | 69.7 | Low | 132 Ų | 132 | 86 Ų | 86 | 61% | 0.611 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 103.2 | 179.9 | -75 | -98.8 | 0 | 0 | 0 | 111.6 | I996 G1013 | I996-H1015 VanDerWaalsContact CD1-CE1 3.45Å; I996-H1015 WeakPolarHBondContact CD1-CE1 3.35Å; G1013-H1015 PolarHBondContact O-CD2 3.34Å; G1013-H1015 PolarHBondContact O-N 3.12Å |
| 1016 | L | 78.9 | Confident | 67.1 | Low | 12 Ų | 12 | 84.2 Ų | 84.2 | 6% | 0.063 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 107.7 | 170.2 | -175.2 | 77.9 | 0 | 0 | 0 | 109.3 | W913 I941 Y995 I997 Y1014 | W913-L1016 HydrophobicContact CH2-CD2 4.19Å; W913-L1016 HydrophobicContact CZ2-CD2 3.54Å; W913-L1016 HydrophobicContact CZ2-CG 4.15Å; I941-L1016 HydrophobicContact CD1-CD1 3.51Å; I941-L1016 HydrophobicContact CD1-CD2 3.47Å; I941-L1016 VanDerWaalsContact CD1-CD2 3.47Å; I941-L1016 HydrophobicContact CD1-CG 4.09Å; Y995-L1016 HydrophobicContact CD2-CD2 4.18Å; Y995-L1016 PolarHBondContact N-O 2.98Å; Y995-L1016 PolarHBondContact O-N 2.89Å; I997-L1016 HydrophobicContact CD1-CB 4.46Å; Y1014-L1016 PolarHBondContact O-N 2.75Å |
| 1017 | R | 72 | Confident | 64.5 | Low | 189 Ų | 189 | 90 Ų | 90 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | trans | -77.1 | 146.5 | 177.4 | -67.2 | -173.9 | -178.7 | -173 | 0 | 112.3 | ||||
| 1018 | S | 68.8 | Low | 61.4 | Low | 19 Ų | 19 | 96.6 Ų | 96.6 | 13% | 0.133 | 52% | 0.524 | C | S | . | . | trans | -63.4 | 146 | 171 | 54 | 0 | 0 | 0 | 0 | 112.6 | P991 F992 D994 A1020 A1021 | P991-S1018 WeakPolarHBondContact O-CA 3.14Å; F992-S1018 VanDerWaalsContact C-CB 3.41Å; F992-S1018 WeakPolarHBondContact O-CB 3.2Å; D994-S1018 WeakPolarHBondContact OD1-CB 3.43Å; D994-S1018 PolarHBondContact OD1-N 3.46Å; D994-S1018 PolarHBondContact OD1-OG 2.91Å; S1018-A1020 PolarHBondContact O-N 3.23Å; S1018-A1021 WeakPolarHBondContact O-CB 3.13Å; S1018-A1021 PolarHBondContact O-N 3.5Å | ||
| 1019 | I | 63.1 | Low | 58.6 | Low | 74 Ų | 74 | 100.7 Ų | 100.7 | 38% | 0.379 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -74.1 | -16.8 | -178.5 | -66.9 | 170.2 | 0 | 0 | 0 | 111.5 | W913 P937 P991 A1021 G1022 | W913-I1019 HydrophobicContact CD2-CD1 4.23Å; W913-I1019 HydrophobicContact CG-CD1 4.05Å; P937-I1019 HydrophobicContact CB-CB 4.34Å; P937-I1019 HydrophobicContact CB-CD1 3.57Å; P937-I1019 HydrophobicContact CB-CG2 4.15Å; P991-I1019 HydrophobicContact CB-CD1 4.07Å; P991-I1019 PolarHBondContact O-N 2.71Å; I1019-A1021 PolarHBondContact O-N 3.13Å; I1019-G1022 PolarHBondContact O-N 3.02Å |
| 1020 | A | 53.2 | Low | 55.7 | Low | 57 Ų | 57 | 101.9 Ų | 101.9 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -58.2 | -29 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F992 S1018 G1022 L1023 | F992-A1020 HydrophobicContact CD1-CB 4.15Å; S1018-A1020 PolarHBondContact O-N 3.23Å; A1020-G1022 PolarHBondContact O-N 3.38Å; A1020-L1023 PolarHBondContact O-N 2.87Å |
| 1021 | A | 47 | Very low | 52.8 | Low | 70 Ų | 70 | 102.7 Ų | 102.7 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -64.5 | -12 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1018 I1019 | S1018-A1021 WeakPolarHBondContact O-CB 3.13Å; S1018-A1021 PolarHBondContact O-N 3.5Å; I1019-A1021 PolarHBondContact O-N 3.13Å |
| 1022 | G | 42.9 | Very low | 49.9 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -86.5 | -7.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | I1019 A1020 | I1019-G1022 PolarHBondContact O-N 3.02Å; A1020-G1022 PolarHBondContact O-N 3.38Å |
| 1023 | L | 34.8 | Very low | 47.5 | Very low | 161 Ų | 161 | 115.6 Ų | 115.6 | 84% | 0.843 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -111.8 | 7.9 | -166.7 | -96.3 | 165.6 | 0 | 0 | 0 | 116.1 | A1020 | A1020-L1023 PolarHBondContact O-N 2.87Š|
| 1024 | H | 33.7 | Very low | 44.8 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | trans | -134 | 124.1 | 175.7 | -117.3 | -88.7 | 0 | 0 | 0 | 112.1 | ||||
| 1025 | N | 24.7 | Very low | 42.2 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -54.4 | 141.2 | 151.5 | -96 | -33.3 | 0 | 0 | 0 | 108.1 | ||||
| 1026 | P | 27.3 | Very low | 39.5 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | -153.9 | 177.2 | 67.8 | 43.7 | -25.5 | 0 | 0 | 0 | 117.7 | |||||
| 1027 | I | 29.7 | Very low | 37.2 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | 56.5 | 110.4 | 150.6 | -65.2 | 153.4 | 0 | 0 | 0 | 116.8 | ||||
| 1028 | K | 23.7 | Very low | 35.2 | Very low | 205 Ų | 205 | 126 Ų | 126 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | 60.3 | 79.1 | 63 | -75.7 | -157.7 | 169.3 | -167.1 | 0 | 117.2 | |||||
| 1029 | S | 27.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -139.5 | 121.5 | 137.8 | 55.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1030 | S | 28.2 | Very low | 32 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 48.4 | 114.8 | 75.5 | 73.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 1031 | D | 28.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | cis | -125.8 | -178.4 | 28 | -64.3 | -47.3 | 0 | 0 | 0 | 115.8 | ||||
| 1032 | Y | 28.8 | Very low | 30.4 | Very low | 221 Ų | 221 | 145.6 Ų | 145.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | 76.5 | 73.7 | 178.5 | -61.5 | -76.3 | 0 | 0 | 0 | 117.1 | ||||
| 1033 | E | 30.2 | Very low | 30.3 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | -55.6 | 140 | 154.4 | -65.2 | -175.9 | 141.3 | 0 | 0 | 110.9 | ||||
| 1034 | L | 28.2 | Very low | 31 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | 81.9 | 144.4 | 56.4 | -93.6 | 167.3 | 0 | 0 | 0 | 115.3 | |||||
| 1035 | N | 28.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 75.4 | 145.1 | -177.8 | -44.8 | -53.2 | 0 | 0 | 0 | 114.8 | ||||
| 1036 | Y | 30.4 | Very low | 33.1 | Very low | 221 Ų | 221 | 140 Ų | 140 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | cis | -122 | 168.5 | 12 | -128.3 | -90.7 | 0 | 0 | 0 | 114.4 | ||||
| 1037 | S | 29.1 | Very low | 34.4 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -73.5 | 164.1 | -162.6 | 57.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1038 | G | 30.3 | Very low | 35.6 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | 142.4 | 79.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1039 | H | 32.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 139 Ų | 139 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | 65.7 | 97.2 | 51.3 | -154.2 | -4.6 | 0 | 0 | 0 | 113.3 | D1041 | H1039-D1041 IonicContact CE1-OD1 3.35Å; H1039-D1041 PolarHBondContact CE1-OD1 3.45Å; H1039-D1041 IonicContact CE1-OD2 3.98Å; H1039-D1041 PolarHBondContact CE1-OD2 3.46Å; H1039-D1041 IonicContact ND1-OD1 3.29Å; H1039-D1041 PolarHBondContact ND1-OD1 2.78Å; H1039-D1041 IonicContact ND1-OD2 3.14Å | |||
| 1040 | F | 31.7 | Very low | 38.4 | Very low | 203 Ų | 203 | 140 Ų | 140 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | trans | -173.8 | 72.5 | 147.8 | -102.4 | -60.3 | 0 | 0 | 0 | 112.3 | ||||
| 1041 | D | 35.9 | Very low | 39.7 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 56% | 0.556 | 71% | 0.713 | S | S | * | * | 39.3 | 117.1 | 126.3 | -49.4 | -0.2 | 0 | 0 | 0 | 121.5 | H1039 | H1039-D1041 IonicContact CE1-OD1 3.35Å; H1039-D1041 PolarHBondContact CE1-OD1 3.45Å; H1039-D1041 IonicContact CE1-OD2 3.98Å; H1039-D1041 PolarHBondContact CE1-OD2 3.46Å; H1039-D1041 IonicContact ND1-OD1 3.29Å; H1039-D1041 PolarHBondContact ND1-OD1 2.78Å; H1039-D1041 IonicContact ND1-OD2 3.14Å | |||
| 1042 | F | 31.4 | Very low | 41.3 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | trans | 19 | 139.9 | 130.4 | -71.3 | -82.6 | 0 | 0 | 0 | 120.8 | V1044 | F1042-V1044 HydrophobicContact CD1-CG2 4.3Š| ||
| 1043 | P | 41.2 | Very low | 43 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | -148.4 | 112.6 | 87.7 | 35.4 | -16.4 | 0 | 0 | 0 | 117.8 | W1045 | P1043-W1045 VanDerWaalsContact C-N 3.29Å; P1043-W1045 PolarHBondContact O-N 3.38Å | |||
| 1044 | V | 48.9 | Very low | 44.6 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | 49.5 | -33.8 | 126 | -177.1 | 0 | 0 | 0 | 0 | 122.5 | F1042 G1046 | F1042-V1044 HydrophobicContact CD1-CG2 4.3Å; V1044-G1046 PolarHBondContact O-N 3.22Å | |||
| 1045 | W | 51.6 | Low | 46.6 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 75% | 0.746 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -30.4 | -166.1 | -65.8 | 86.2 | 0 | 0 | 0 | 115.1 | P1043 Y1047 I1048 | P1043-W1045 VanDerWaalsContact C-N 3.29Å; P1043-W1045 PolarHBondContact O-N 3.38Å; W1045-Y1047 VanDerWaalsContact C-N 3.3Å; W1045-Y1047 PolarHBondContact O-N 3.47Å; W1045-I1048 PolarHBondContact O-N 2.79Å |
| 1046 | G | 50.6 | Low | 48.6 | Very low | 48 Ų | 48 | 126.3 Ų | 126.3 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.6 | -30.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1044 I1048 L1049 L1050 | V1044-G1046 PolarHBondContact O-N 3.22Å; G1046-I1048 VanDerWaalsContact C-N 3.31Å; G1046-I1048 PolarHBondContact O-N 3.09Å; G1046-L1049 PolarHBondContact O-N 3.13Å; G1046-L1050 PolarHBondContact O-N 2.91Å |
| 1047 | Y | 54.4 | Low | 50.2 | Low | 180 Ų | 180 | 123.4 Ų | 123.4 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.2 | -27.4 | -179.1 | -78.5 | -80.9 | 0 | 0 | 0 | 113.3 | W1045 F1051 | W1045-Y1047 VanDerWaalsContact C-N 3.3Å; W1045-Y1047 PolarHBondContact O-N 3.47Å; Y1047-F1051 PolarHBondContact O-N 3.31Å; Y1047-F1051 VanDerWaalsContact O-N 3.11Å |
| 1048 | I | 56.2 | Low | 52.1 | Low | 113 Ų | 113 | 123.4 Ų | 123.4 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.7 | -40.9 | 179.7 | -60.5 | 176.7 | 0 | 0 | 0 | 110.6 | W1045 G1046 G1052 | W1045-I1048 PolarHBondContact O-N 2.79Å; G1046-I1048 VanDerWaalsContact C-N 3.31Å; G1046-I1048 PolarHBondContact O-N 3.09Å; I1048-G1052 PolarHBondContact O-N 3.37Å |
| 1049 | L | 53.8 | Low | 53.7 | Low | 141 Ų | 141 | 125 Ų | 125 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.3 | -37.9 | 176.8 | -69 | 172.9 | 0 | 0 | 0 | 112.2 | G1046 G1052 F1053 | G1046-L1049 PolarHBondContact O-N 3.13Å; L1049-G1052 PolarHBondContact O-N 2.03Å; L1049-F1053 PolarHBondContact O-N 2.96Å |
| 1050 | L | 54.6 | Low | 55.1 | Low | 119 Ų | 119 | 123 Ų | 123 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.2 | -38.8 | 175.8 | -99.3 | 159.6 | 0 | 0 | 0 | 112.8 | G1046 V1054 | G1046-L1050 PolarHBondContact O-N 2.91Å; L1050-V1054 WeakPolarHBondContact O-CG2 3.48Å; L1050-V1054 PolarHBondContact O-N 2.87Å |
| 1051 | F | 57.5 | Low | 56.4 | Low | 158 Ų | 158 | 115.7 Ų | 115.7 | 69% | 0.693 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.2 | -42.6 | 172.3 | -108.8 | -92.1 | 0 | 0 | 0 | 112.4 | Y1047 F1053 V1054 V1055 | Y1047-F1051 PolarHBondContact O-N 3.31Å; Y1047-F1051 VanDerWaalsContact O-N 3.11Å; F1051-F1053 PolarHBondContact O-N 3.41Å; F1051-V1054 PolarHBondContact O-N 3.47Å; F1051-V1055 WeakPolarHBondContact O-CG2 3.43Å; F1051-V1055 PolarHBondContact O-N 3.03Å; F1051-V1055 VanDerWaalsContact O-N 3.09Å |
| 1052 | G | 61.4 | Low | 57.5 | Low | 43 Ų | 43 | 116.6 Ų | 116.6 | 44% | 0.443 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.7 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1048 L1049 V1055 F1056 | I1048-G1052 PolarHBondContact O-N 3.37Å; L1049-G1052 PolarHBondContact O-N 2.03Å; G1052-V1055 PolarHBondContact O-N 3.35Å; G1052-F1056 WeakPolarHBondContact O-CB 3.32Å; G1052-F1056 PolarHBondContact O-N 3.43Å |
| 1053 | F | 65.1 | Low | 58.7 | Low | 145 Ų | 145 | 116.3 Ų | 116.3 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.9 | -38.4 | -178.1 | -136.2 | -96.3 | 0 | 0 | 0 | 112.9 | L1049 F1051 W1057 | L1049-F1053 PolarHBondContact O-N 2.96Å; F1051-F1053 PolarHBondContact O-N 3.41Å; F1053-W1057 AromaticContact CD1-CD1 3.84Å; F1053-W1057 AromaticContact CE1-CD1 3.89Å; F1053-W1057 AromaticContact CE1-NE1 3.55Å; F1053-W1057 PolarHBondContact O-N 2.95Å |
| 1054 | V | 62.4 | Low | 59.3 | Low | 84 Ų | 84 | 116.8 Ų | 116.8 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.5 | -42.6 | 177.7 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | L1050 F1051 I1058 | L1050-V1054 WeakPolarHBondContact O-CG2 3.48Å; L1050-V1054 PolarHBondContact O-N 2.87Å; F1051-V1054 PolarHBondContact O-N 3.47Å; V1054-I1058 HydrophobicContact CG1-CD1 3.82Å; V1054-I1058 VanDerWaalsContact O-CG1 3.32Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.5Å; V1054-I1058 PolarHBondContact O-N 2.89Å; V1054-I1058 VanDerWaalsContact O-N 3.15Å |
| 1055 | V | 71.5 | Confident | 59.2 | Low | 73 Ų | 73 | 120.4 Ų | 120.4 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | F1051 G1052 W1057 I1058 L1059 | F1051-V1055 WeakPolarHBondContact O-CG2 3.43Å; F1051-V1055 PolarHBondContact O-N 3.03Å; F1051-V1055 VanDerWaalsContact O-N 3.09Å; G1052-V1055 PolarHBondContact O-N 3.35Å; V1055-W1057 PolarHBondContact O-N 3.15Å; V1055-I1058 PolarHBondContact O-N 2.9Å; V1055-L1059 HydrophobicContact CG1-CD1 3.85Å; V1055-L1059 HydrophobicContact CG1-CG 4.39Å; V1055-L1059 WeakPolarHBondContact O-CG 3.34Å; V1055-L1059 PolarHBondContact O-N 2.84Å |
| 1056 | F | 70.6 | Confident | 59.1 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.5 | -47 | 178.4 | -174.5 | -96.9 | 0 | 0 | 0 | 112.4 | G1052 L1059 F1060 | G1052-F1056 WeakPolarHBondContact O-CB 3.32Å; G1052-F1056 PolarHBondContact O-N 3.43Å; F1056-L1059 PolarHBondContact O-N 2.84Å; F1056-F1060 WeakPolarHBondContact O-CB 3.41Å; F1056-F1060 PolarHBondContact O-N 3.24Å |
| 1057 | W | 63.9 | Low | 58.6 | Low | 159 Ų | 159 | 125.1 Ų | 125.1 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.1 | -32.9 | 179.4 | -85.8 | 90.2 | 0 | 0 | 0 | 113.6 | F1053 V1055 G1061 | F1053-W1057 AromaticContact CD1-CD1 3.84Å; F1053-W1057 AromaticContact CE1-CD1 3.89Å; F1053-W1057 AromaticContact CE1-NE1 3.55Å; F1053-W1057 PolarHBondContact O-N 2.95Å; V1055-W1057 PolarHBondContact O-N 3.15Å; W1057-G1061 PolarHBondContact O-N 3.05Å |
| 1058 | I | 68.8 | Low | 57.7 | Low | 103 Ų | 103 | 124 Ų | 124 | 53% | 0.528 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.9 | -43.2 | 173.3 | -69.7 | 169.1 | 0 | 0 | 0 | 110.8 | V1054 V1055 L1062 | V1054-I1058 HydrophobicContact CG1-CD1 3.82Å; V1054-I1058 VanDerWaalsContact O-CG1 3.32Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.5Å; V1054-I1058 PolarHBondContact O-N 2.89Å; V1054-I1058 VanDerWaalsContact O-N 3.15Å; V1055-I1058 PolarHBondContact O-N 2.9Å; I1058-L1062 HydrophobicContact CG2-CD1 4.29Å; I1058-L1062 WeakPolarHBondContact O-CG 3.26Å; I1058-L1062 PolarHBondContact O-N 3.35Å |
| 1059 | L | 63.8 | Low | 56.5 | Low | 106 Ų | 106 | 129.6 Ų | 129.6 | 56% | 0.555 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.9 | -40.1 | 177 | -69.9 | 173 | 0 | 0 | 0 | 112.5 | V1055 F1056 L1062 F1063 | V1055-L1059 HydrophobicContact CG1-CD1 3.85Å; V1055-L1059 HydrophobicContact CG1-CG 4.39Å; V1055-L1059 WeakPolarHBondContact O-CG 3.34Å; V1055-L1059 PolarHBondContact O-N 2.84Å; F1056-L1059 PolarHBondContact O-N 2.84Å; L1059-L1062 PolarHBondContact O-N 3.27Å; L1059-F1063 PolarHBondContact O-N 3.28Å; L1059-F1063 VanDerWaalsContact O-N 3.13Å |
| 1060 | F | 62.9 | Low | 55.5 | Low | 102 Ų | 102 | 131 Ų | 131 | 45% | 0.447 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 178.3 | -163.3 | -108.2 | 0 | 0 | 0 | 112 | F1056 L1062 F1063 I1064 | F1056-F1060 WeakPolarHBondContact O-CB 3.41Å; F1056-F1060 PolarHBondContact O-N 3.24Å; F1060-L1062 VanDerWaalsContact C-N 3.32Å; F1060-L1062 PolarHBondContact O-N 3.49Å; F1060-F1063 PolarHBondContact O-N 3.47Å; F1060-I1064 HydrophobicContact CD1-CD1 4.07Å; F1060-I1064 HydrophobicContact CE1-CD1 3.69Å; F1060-I1064 HydrophobicContact CZ-CD1 4.13Å; F1060-I1064 PolarHBondContact O-N 3.28Å |
| 1061 | G | 59 | Low | 54.5 | Low | 50 Ų | 50 | 130.9 Ų | 130.9 | 52% | 0.515 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.6 | -35 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1057 | W1057-G1061 PolarHBondContact O-N 3.05Å |
| 1062 | L | 58.9 | Low | 53.3 | Low | 123 Ų | 123 | 127.8 Ų | 127.8 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.9 | -28 | 175.6 | -73.5 | 168.7 | 0 | 0 | 0 | 113.3 | I1058 L1059 F1060 | I1058-L1062 HydrophobicContact CG2-CD1 4.29Å; I1058-L1062 WeakPolarHBondContact O-CG 3.26Å; I1058-L1062 PolarHBondContact O-N 3.35Å; L1059-L1062 PolarHBondContact O-N 3.27Å; F1060-L1062 VanDerWaalsContact C-N 3.32Å; F1060-L1062 PolarHBondContact O-N 3.49Å |
| 1063 | F | 54.8 | Low | 51.8 | Low | 174 Ų | 174 | 135.5 Ų | 135.5 | 76% | 0.763 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.6 | -31.3 | -175.9 | -136.6 | -93 | 0 | 0 | 0 | 113.7 | L1059 F1060 H1065 | L1059-F1063 PolarHBondContact O-N 3.28Å; L1059-F1063 VanDerWaalsContact O-N 3.13Å; F1060-F1063 PolarHBondContact O-N 3.47Å; F1063-H1065 VanDerWaalsContact C-N 3.32Å; F1063-H1065 PolarHBondContact O-N 3.41Å |
| 1064 | I | 54.1 | Low | 50.2 | Low | 110 Ų | 110 | 136.5 Ų | 136.5 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.3 | -23.9 | -178.8 | -66.1 | 175.7 | 0 | 0 | 0 | 112 | F1060 F1066 | F1060-I1064 HydrophobicContact CD1-CD1 4.07Å; F1060-I1064 HydrophobicContact CE1-CD1 3.69Å; F1060-I1064 HydrophobicContact CZ-CD1 4.13Å; F1060-I1064 PolarHBondContact O-N 3.28Å; I1064-F1066 PolarHBondContact O-N 3.46Å; I1064-F1066 VanDerWaalsContact O-N 3.09Å |
| 1065 | H | 47.9 | Very low | 48.7 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.806 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 6.9 | -176.5 | -157.1 | -72.6 | 0 | 0 | 0 | 114.6 | F1063 | F1063-H1065 VanDerWaalsContact C-N 3.32Å; F1063-H1065 PolarHBondContact O-N 3.41Å |
| 1066 | F | 48.9 | Very low | 46.7 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -14.2 | -174.9 | -142.3 | -95.4 | 0 | 0 | 0 | 115.3 | I1064 | I1064-F1066 PolarHBondContact O-N 3.46Å; I1064-F1066 VanDerWaalsContact O-N 3.09Å |
| 1067 | F | 39.3 | Very low | 44.8 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -142.5 | 124.4 | -179.4 | -77.4 | -90.4 | 0 | 0 | 0 | 108 | ||
| 1068 | I | 35.5 | Very low | 43.1 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | cis | -138.6 | 133.5 | 17.2 | -82.5 | 132.3 | 0 | 0 | 0 | 111.3 | ||||
| 1069 | R | 31.5 | Very low | 41.2 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.875 | 70% | 0.703 | S | S | * | * | trans | -71.2 | 145.2 | 162.4 | -65.4 | 163.4 | 161.4 | 167 | -7.4 | 110.2 | ||||
| 1070 | Q | 32.5 | Very low | 39.5 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | 177.2 | 124.7 | 109 | -99.2 | -171.6 | -5 | 0 | 0 | 114.8 | |||||
| 1071 | T | 34.8 | Very low | 37.9 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | trans | 55 | 141.8 | 139.7 | 58.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1072 | S | 31.6 | Very low | 36.4 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | cis | 179.5 | -171.1 | -9.8 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1073 | R | 31.1 | Very low | 34.9 | Very low | 205 Ų | 205 | 150.5 Ų | 150.5 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | cis | -171.8 | 156.4 | 7 | -136.7 | 163.6 | -175.2 | 165.7 | -0.5 | 110.6 | ||||
| 1074 | K | 30.8 | Very low | 33.6 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | 71.7 | 155.2 | 153.7 | -61.7 | -168.7 | 168.9 | -158.4 | 0 | 119.5 | ||||
| 1075 | Q | 30.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | cis | -175.8 | 161 | -18.5 | -101.7 | -172.8 | -100.6 | 0 | 0 | 107.3 | ||||
| 1076 | C | 30.8 | Very low | 31.3 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 64% | 0.635 | 74% | 0.742 | S | S | * | * | cis | 177.6 | 150.6 | -24.4 | -114.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1077 | L | 29.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 147 Ų | 147 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 71.6 | 156.2 | 162.3 | -79.5 | 68.2 | 0 | 0 | 0 | 116.6 | ||||
| 1078 | K | 29 | Very low | 29.6 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | cis | -168.1 | -175.9 | 0.1 | -114.8 | -176.5 | 179.7 | -179.9 | 0 | 108.4 | ||||
| 1079 | S | 27.6 | Very low | 29.2 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | cis | 163.1 | 155.6 | -49 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1080 | S | 28.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 85.1 | 119.5 | 170.5 | -179 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1081 | T | 30.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | 97.3 | 129.2 | 41.3 | 74.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1082 | K | 26.3 | Very low | 28.4 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | 151.5 | 136.8 | 121.5 | -91.6 | 167.6 | 169.5 | -177.4 | 0 | 120.3 | |||||
| 1083 | Y | 27 | Very low | 28.1 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | 64.8 | 166.4 | 152.2 | -53.3 | -48.7 | 0 | 0 | 0 | 119.8 | ||||
| 1084 | F | 27.9 | Very low | 27.9 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | cis | -142.2 | 171.2 | 9.6 | -138.8 | -80.4 | 0 | 0 | 0 | 113.9 | ||||
| 1085 | V | 26.1 | Very low | 27.8 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -75.4 | 145.2 | -166.6 | 176.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1086 | A | 28.5 | Very low | 27.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | 163.7 | 169.1 | 129.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1087 | N | 24.8 | Very low | 27.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | -169.6 | 162.1 | -84.2 | -175.7 | 19.8 | 0 | 0 | 0 | 108.8 | |||||
| 1088 | A | 28.2 | Very low | 27.2 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 157.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1089 | S | 26.1 | Very low | 27 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -173.6 | 138 | -36.8 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1090 | N | 25.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 70.8 | 175.1 | 146.6 | -145.9 | 4 | 0 | 0 | 0 | 120.9 | ||||
| 1091 | I | 28.6 | Very low | 26.9 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | 79.6 | 109.1 | -170.7 | -49.9 | 167.9 | 0 | 0 | 0 | 112.4 | ||||
| 1092 | D | 26.7 | Very low | 26.9 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | 98.2 | 145.2 | 9.8 | -154.4 | 19.9 | 0 | 0 | 0 | 118.1 | ||||
| 1093 | A | 27.1 | Very low | 27 | Very low | 73 Ų | 73 | 154.2 Ų | 154.2 | 60% | 0.603 | 78% | 0.782 | S | S | * | * | trans | 67.1 | 103 | 164.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1094 | Q | 26 | Very low | 27 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | 46.4 | 130.8 | 129.2 | -60.6 | -176 | -11.2 | 0 | 0 | 122.9 | |||||
| 1095 | H | 28.3 | Very low | 27 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | -148.7 | 144.6 | 126.4 | -119 | 62.1 | 0 | 0 | 0 | 114 | |||||
| 1096 | Q | 23.4 | Very low | 27.2 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -151.9 | 122.6 | -172.4 | -177.5 | -167.9 | 32.6 | 0 | 0 | 111.1 | ||||
| 1097 | K | 27.2 | Very low | 27.2 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | 179.3 | 99.4 | 157.6 | -98.4 | 144.6 | -170.3 | 171.4 | 0 | 108.9 | ||||
| 1098 | T | 27 | Very low | 27.2 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | 66.1 | 103.9 | 81.5 | -50.1 | 0 | 0 | 0 | 0 | 114 | R1100 | T1098-R1100 HydrophobicContact CG2-CB 4.25Š| |||
| 1099 | F | 25.9 | Very low | 27.2 | Very low | 216 Ų | 216 | 149.2 Ų | 149.2 | 95% | 0.947 | 75% | 0.751 | S | S | * | * | trans | -116.3 | 125.9 | 158.2 | -155.9 | -94.1 | 0 | 0 | 0 | 107.9 | ||||
| 1100 | R | 24.3 | Very low | 27.3 | Very low | 226 Ų | 226 | 146 Ų | 146 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -155 | 110.8 | -170.1 | -167.2 | -170.7 | -160.4 | -159.6 | 8.4 | 112.8 | T1098 | T1098-R1100 HydrophobicContact CG2-CB 4.25Š| ||
| 1101 | R | 29.4 | Very low | 27.4 | Very low | 220 Ų | 220 | 146 Ų | 146 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | trans | -153.4 | 116.7 | 158.7 | -78.9 | -165.2 | -178.4 | 139.7 | 3.2 | 106.6 | ||||
| 1102 | N | 29.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | 105.5 | 142.2 | 83 | -79.1 | 7 | 0 | 0 | 0 | 109.1 | |||||
| 1103 | I | 29.5 | Very low | 27.3 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 65% | 0.651 | 73% | 0.725 | S | S | * | * | cis | -160.7 | 142.4 | 6.1 | -118.9 | 166.6 | 0 | 0 | 0 | 110.7 | ||||
| 1104 | L | 26.6 | Very low | 27.3 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | trans | 45.5 | 148.3 | 160 | -76.4 | 67 | 0 | 0 | 0 | 120.3 | ||||
| 1105 | H | 28.4 | Very low | 27.3 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | cis | -163.2 | 177.1 | -5.2 | -106.7 | 167.7 | 0 | 0 | 0 | 107.1 | ||||
| 1106 | G | 29.5 | Very low | 27.1 | Very low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 72% | 0.721 | S | S | * | * | cis | -142.9 | -165.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1107 | I | 27.8 | Very low | 27.2 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | cis | 82.5 | 105.9 | 22.4 | -49.5 | 169.1 | 0 | 0 | 0 | 111.9 | ||||
| 1108 | S | 26.6 | Very low | 27.1 | Very low | 64 Ų | 64 | 133 Ų | 133 | 45% | 0.448 | 70% | 0.703 | S | S | . | * | -156.5 | 164.5 | 60.5 | -177.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1109 | F | 27.5 | Very low | 27.2 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | trans | -45.1 | 158.1 | 165.8 | -48 | -104.6 | 0 | 0 | 0 | 116.3 | ||||
| 1110 | G | 28.4 | Very low | 27.2 | Very low | 41 Ų | 41 | 127.8 Ų | 127.8 | 42% | 0.423 | 67% | 0.672 | S | S | . | * | cis | 120.7 | 151.9 | -6.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1111 | M | 26.5 | Very low | 27.4 | Very low | 145 Ų | 145 | 121.6 Ų | 121.6 | 71% | 0.714 | 66% | 0.656 | S | S | * | * | trans | 79.8 | 143.8 | 160.8 | -68.4 | -167.1 | -64.2 | 0 | 0 | 121.8 | E1309 | M1111-E1309 PolarHBondContact N-OE1 2.97Š| ||
| 1112 | C | 28.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 119 Ų | 119 | 78% | 0.777 | 65% | 0.651 | S | S | * | * | trans | 72.8 | 148.4 | 161.8 | -71.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1113 | C | 26.3 | Very low | 27.1 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | cis | 169.1 | 154.8 | -26.9 | -106.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1114 | T | 27 | Very low | 27 | Very low | 146 Ų | 146 | 115.2 Ų | 115.2 | 90% | 0.896 | 66% | 0.657 | S | S | * | * | trans | 65.3 | 166.6 | 177.8 | 85.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1115 | S | 25.2 | Very low | 27 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | cis | -172.4 | 152.3 | -3.1 | 123.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1116 | L | 25.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | cis | -157 | 168.3 | 5.2 | -141.6 | 66.6 | 0 | 0 | 0 | 109.5 | ||||
| 1117 | T | 26.1 | Very low | 26.9 | Very low | 76 Ų | 76 | 118 Ų | 118 | 47% | 0.466 | 67% | 0.665 | S | S | . | * | trans | 7.4 | 150.9 | 147.3 | 54.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1118 | F | 25 | Very low | 26.9 | Very low | 185 Ų | 185 | 117.7 Ų | 117.7 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | cis | -134.6 | 138.5 | 40.3 | -86.2 | -104.7 | 0 | 0 | 0 | 112 | ||||
| 1119 | H | 27.5 | Very low | 27 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | 60.2 | 141.3 | 79.8 | -88.9 | -100 | 0 | 0 | 0 | 113.8 | |||||
| 1120 | K | 26.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 43% | 0.43 | 67% | 0.673 | S | S | . | * | cis | -144.8 | 126.8 | 37.9 | -155.7 | -164.7 | -149.7 | 177.2 | 0 | 115.9 | I1558 T1559 E1560 | K1120-I1558 VanDerWaalsContact C-CG1 3.48Å; K1120-I1558 WeakPolarHBondContact O-CG1 3.26Å; K1120-I1558 WeakPolarHBondContact O-CG2 3.27Å; K1120-T1559 PolarHBondContact O-N 2.87Å; K1120-T1559 PolarHBondContact O-OG1 2.87Å; K1120-E1560 HydrophobicContact CD-CG 4.06Å; K1120-E1560 VanDerWaalsContact CD-OE1 3.27Å; K1120-E1560 WeakPolarHBondContact CD-OE1 3.31Å; K1120-E1560 WeakPolarHBondContact CD-OE2 3.37Å; K1120-E1560 WeakPolarHBondContact CE-OE1 3.01Å; K1120-E1560 IonicContact NZ-OE1 3.89Å; K1120-E1560 PolarHBondContact NZ-OE1 2.86Å; K1120-E1560 IonicContact NZ-OE2 3.09Å; K1120-E1560 PolarHBondContact NZ-OE2 2.85Å | ||
| 1121 | N | 27.9 | Very low | 27 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | trans | -56.7 | 164.5 | -178.1 | -59.6 | -29.7 | 0 | 0 | 0 | 116.5 | T1559 | N1121-T1559 PolarHBondContact O-OG1 3.01Š| ||
| 1122 | K | 26.7 | Very low | 26.9 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 73% | 0.726 | 69% | 0.687 | S | S | * | * | 152.3 | 131.2 | 121.8 | -80 | -174.4 | 178.5 | 179.8 | 0 | 110.9 | T1559 | K1122-T1559 WeakPolarHBondContact O-CG2 3.25Š| |||
| 1123 | S | 26.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | cis | 89.6 | 126.4 | 29.2 | 83.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1124 | G | 27.3 | Very low | 27 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | trans | 143 | 80.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1125 | N | 27 | Very low | 27 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | 43.8 | 114.5 | 79.8 | -77.7 | -3.5 | 0 | 0 | 0 | 114.6 | |||||
| 1126 | H | 29.6 | Very low | 27.2 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.787 | 69% | 0.69 | S | S | * | * | -176.2 | 109.3 | 113.4 | -105.2 | -84.2 | 0 | 0 | 0 | 108.5 | |||||
| 1127 | S | 26.1 | Very low | 27.2 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | 89.6 | 158.1 | 85 | 81.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1128 | I | 27.1 | Very low | 27.2 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | cis | -164.2 | 161.5 | 11.9 | -142.6 | 164.9 | 0 | 0 | 0 | 110.8 | ||||
| 1129 | V | 29 | Very low | 27.2 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | trans | 62 | 117.8 | 160.5 | 173.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1130 | D | 25.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | cis | 80.8 | 159.9 | 22.3 | -163.5 | 30.2 | 0 | 0 | 0 | 116.5 | ||||
| 1131 | R | 30.4 | Very low | 27.3 | Very low | 210 Ų | 210 | 119.2 Ų | 119.2 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | trans | 86.4 | 148.3 | 168.9 | -55.8 | 179.7 | 174.5 | -175.9 | -2.2 | 120 | ||||
| 1132 | N | 26.3 | Very low | 27.3 | Very low | 117 Ų | 117 | 121 Ų | 121 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | cis | -177.2 | 150.4 | -44 | -107.8 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 1133 | L | 26.6 | Very low | 27.2 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | trans | 45.8 | 153.7 | 149.8 | -87.8 | 62.9 | 0 | 0 | 0 | 122.4 | ||||
| 1134 | G | 29.4 | Very low | 27.2 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | -157.9 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1135 | T | 27.7 | Very low | 27.3 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | 50.1 | 167.8 | 166.4 | 51.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1136 | V | 28 | Very low | 27.2 | Very low | 128 Ų | 128 | 124 Ų | 124 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | 86.5 | 137 | 162.4 | -172.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1137 | L | 25.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | cis | -179.8 | 160.1 | -36.3 | -111.7 | 166.9 | 0 | 0 | 0 | 111.7 | ||||
| 1138 | L | 25.8 | Very low | 27.3 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 56% | 0.56 | 67% | 0.674 | S | S | * | * | trans | 70.9 | 151.6 | 160.5 | -64.2 | 161.6 | 0 | 0 | 0 | 119.1 | ||||
| 1139 | S | 25.1 | Very low | 27.3 | Very low | 61 Ų | 61 | 125.5 Ų | 125.5 | 43% | 0.427 | 68% | 0.68 | S | S | . | * | cis | -173.5 | 156.5 | -9.2 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | N1532 | S1139-N1532 VanDerWaalsContact C-ND2 3.31Å; S1139-N1532 PolarHBondContact O-ND2 2.86Å | ||
| 1140 | S | 26.8 | Very low | 27.1 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | trans | 67 | 154.7 | 148 | -177 | 0 | 0 | 0 | 0 | 122.2 | N1532 | S1140-N1532 PolarHBondContact N-ND2 2.88Å; S1140-N1532 PolarHBondContact O-ND2 3.45Å | ||
| 1141 | E | 28.8 | Very low | 27.1 | Very low | 87 Ų | 87 | 128 Ų | 128 | 41% | 0.407 | 69% | 0.688 | S | S | . | * | cis | -178.4 | -179.4 | -35.1 | -150.5 | -172.4 | 117.6 | 0 | 0 | 111.5 | ||||
| 1142 | Q | 27.4 | Very low | 27.1 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | trans | 73 | 147.2 | 155.3 | -75.1 | 178.6 | 10.7 | 0 | 0 | 121.3 | ||||
| 1143 | Q | 26 | Very low | 27 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | cis | -155.6 | 177.1 | -17.4 | -168.4 | 158.1 | 5.5 | 0 | 0 | 111.3 | ||||
| 1144 | E | 26.3 | Very low | 27 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | trans | -67.8 | 177.3 | -177.7 | -49.1 | 138.6 | 104.5 | 0 | 0 | 116.2 | ||||
| 1145 | V | 28.5 | Very low | 26.9 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 76% | 0.758 | 66% | 0.664 | S | S | * | * | 175.4 | 118.9 | 115.3 | 154.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1146 | E | 26.3 | Very low | 26.9 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | trans | 45.9 | 131 | 143.5 | -63.1 | -158.3 | 106.7 | 0 | 0 | 127.3 | ||||
| 1147 | T | 26.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 83% | 0.828 | 65% | 0.647 | S | S | * | * | trans | 71.4 | 150.2 | 137.3 | 65.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1148 | G | 30.5 | Very low | 26.8 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | trans | 176.6 | 1.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1149 | R | 27.2 | Very low | 26.8 | Very low | 229 Ų | 229 | 124.1 Ų | 124.1 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | trans | 59.9 | 131.1 | 166.7 | -77.1 | -179.4 | 170 | 165.8 | -1.3 | 121.1 | ||||
| 1150 | L | 25.9 | Very low | 26.8 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | trans | 59.5 | 119.2 | 134.6 | -55.7 | 171.1 | 0 | 0 | 0 | 119.2 | ||||
| 1151 | L | 24.1 | Very low | 26.6 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | 66.5 | 143 | 68.2 | -85.5 | 168.8 | 0 | 0 | 0 | 115.8 | |||||
| 1152 | H | 29.5 | Very low | 26.4 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 61% | 0.606 | 70% | 0.7 | S | S | * | * | trans | 73.6 | 144.2 | 172.6 | -83.5 | -148.7 | 0 | 0 | 0 | 117.6 | ||||
| 1153 | R | 25 | Very low | 26.3 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 63% | 0.63 | 70% | 0.697 | S | S | * | * | cis | -170 | 144.3 | -28.7 | -128.9 | -173.7 | -166.9 | 171.2 | 7.7 | 109.2 | F1801 | R1153-F1801 VanDerWaalsContact C-CZ 3.45Å; R1153-F1801 VanDerWaalsContact O-CE2 3.23Å; R1153-F1801 WeakPolarHBondContact O-CE2 3.29Å; R1153-F1801 WeakPolarHBondContact O-CZ 3.47Å | ||
| 1154 | L | 26.9 | Very low | 26.2 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | trans | 35.7 | 152.9 | 139.2 | -73.9 | 172.7 | 0 | 0 | 0 | 122.7 | F1801 | L1154-F1801 VanDerWaalsContact C-CZ 3.48Å; L1154-F1801 WeakPolarHBondContact O-CE1 3.39Å; L1154-F1801 WeakPolarHBondContact O-CZ 3.27Å | ||
| 1155 | N | 28 | Very low | 26.2 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | trans | 77.1 | 160.9 | 146.3 | -73.1 | 2 | 0 | 0 | 0 | 119.4 | F1801 | N1155-F1801 VanDerWaalsContact O-CE1 3.3Å; N1155-F1801 WeakPolarHBondContact O-CE1 3.19Å | ||
| 1156 | S | 27.1 | Very low | 26.1 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | cis | -176.9 | 139.7 | -33.1 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1157 | S | 26 | Very low | 26.1 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | trans | -140 | 107.5 | 158.7 | 31 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1158 | Q | 25.9 | Very low | 26 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | 64.2 | 99.6 | 79.8 | -69.3 | -170.7 | 52.5 | 0 | 0 | 111.4 | |||||
| 1159 | S | 25.6 | Very low | 25.7 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | -151.3 | 157.5 | 84.6 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1160 | K | 23.6 | Very low | 25.7 | Very low | 171 Ų | 171 | 137 Ų | 137 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | 55 | 134.8 | 53 | -67.2 | -173 | 178.9 | 176.3 | 0 | 111.2 | |||||
| 1161 | L | 23.1 | Very low | 25.6 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | cis | -161.6 | 160.8 | -2.4 | -155 | 64.9 | 0 | 0 | 0 | 106.9 | ||||
| 1162 | H | 25.5 | Very low | 25.6 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | 63.6 | 164.8 | 170.1 | -66.3 | -73 | 0 | 0 | 0 | 115.4 | ||||
| 1163 | N | 24.4 | Very low | 25.3 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 56% | 0.561 | 70% | 0.697 | S | S | * | * | cis | -144.3 | 165.7 | -10.3 | -130.2 | 4.6 | 0 | 0 | 0 | 113.1 | ||||
| 1164 | E | 24.5 | Very low | 25.2 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | 50.2 | 120.2 | 142.7 | -73.4 | 152.3 | 174.4 | 0 | 0 | 121.4 | ||||
| 1165 | K | 26.9 | Very low | 25 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | trans | -53.9 | 153.1 | 141.2 | -60 | 172.8 | 177.1 | 176.9 | 0 | 108.8 | ||||
| 1166 | P | 26.2 | Very low | 24.8 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | -130.1 | 146.8 | 106.4 | 36.2 | -31.3 | 0 | 0 | 0 | 114.3 | |||||
| 1167 | V | 24.9 | Very low | 24.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | trans | -62.1 | 141.4 | 153.3 | 170.6 | 0 | 0 | 0 | 0 | 108.1 | E1169 | V1167-E1169 HydrophobicContact CG1-CG 4.38Š| ||
| 1168 | F | 25.1 | Very low | 25 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -138.6 | 122.5 | 141.9 | -111.9 | -75.3 | 0 | 0 | 0 | 110.9 | ||||
| 1169 | E | 25 | Very low | 24.9 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | -70.4 | 162.7 | 162.9 | -49.6 | 176.5 | 114.8 | 0 | 0 | 109.4 | V1167 | V1167-E1169 HydrophobicContact CG1-CG 4.38Š| ||
| 1170 | H | 26 | Very low | 24.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | -164.3 | 135.2 | 109.5 | -110.1 | -51.6 | 0 | 0 | 0 | 114.4 | |||||
| 1171 | K | 24.3 | Very low | 25 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | 71.8 | 113.8 | 162.1 | -65.1 | 177.3 | 179 | 175.2 | 0 | 115.1 | ||||
| 1172 | L | 23.6 | Very low | 25 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | 70.5 | 137.3 | 64.2 | -78.6 | 60.9 | 0 | 0 | 0 | 111.1 | |||||
| 1173 | M | 24 | Very low | 25 | Very low | 150 Ų | 150 | 139 Ų | 139 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | cis | -144.1 | 132.3 | 16.9 | -136.3 | 153.2 | -176.4 | 0 | 0 | 112.9 | ||||
| 1174 | T | 23.2 | Very low | 25 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -52.7 | 143.6 | 150 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1175 | L | 22.6 | Very low | 25 | Very low | 128 Ų | 128 | 136 Ų | 136 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | -179.9 | 115.9 | 139 | -99.5 | 157.3 | 0 | 0 | 0 | 113.3 | ||||
| 1176 | R | 22.7 | Very low | 24.9 | Very low | 224 Ų | 224 | 131.5 Ų | 131.5 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | 49.2 | 117.4 | 144.8 | -73.6 | 174.8 | -178.2 | 161.9 | -0.5 | 120.6 | ||||
| 1177 | S | 27.5 | Very low | 25 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -46.4 | 153 | 141.1 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1178 | P | 29.5 | Very low | 25.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | -142.4 | 169.4 | 92.8 | 39.4 | -26.3 | 0 | 0 | 0 | 115.8 | |||||
| 1179 | S | 24.4 | Very low | 25.3 | Very low | 72 Ų | 72 | 128 Ų | 128 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | trans | -41.5 | 136.5 | 171.6 | 55 | 0 | 0 | 0 | 0 | 116.6 | L1651 | S1179-L1651 WeakPolarHBondContact OG-CD2 3.28Š| ||
| 1180 | G | 26.4 | Very low | 25.4 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -138.7 | 102.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1181 | K | 24.5 | Very low | 25.5 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -61.9 | 157.8 | -176.3 | -92.7 | -179 | 177.3 | -179.3 | 0 | 116 | ||||
| 1182 | N | 24.8 | Very low | 25.6 | Very low | 111 Ų | 111 | 125 Ų | 125 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | trans | 79.3 | 138.3 | 143.8 | -76 | 31.1 | 0 | 0 | 0 | 121.1 | ||||
| 1183 | E | 23.5 | Very low | 25.7 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 52 | 132.5 | 132.7 | -66.5 | 150.6 | 178.1 | 0 | 0 | 120.2 | ||||
| 1184 | A | 24.9 | Very low | 25.7 | Very low | 80 Ų | 80 | 122 Ų | 122 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | cis | -161.1 | 179.9 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1185 | T | 24.4 | Very low | 26.1 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | 28.9 | 129.7 | 150.7 | 54.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1186 | S | 25.6 | Very low | 26.1 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | -176.6 | 147.6 | 51.4 | -163.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1187 | T | 27.5 | Very low | 26.1 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 35.5 | 125.6 | 144.7 | 55.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1188 | G | 27 | Very low | 25.9 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -179 | 44.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1189 | C | 29.4 | Very low | 25.6 | Very low | 121 Ų | 121 | 127 Ų | 127 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -77 | 148.8 | -179.7 | -54 | 0 | 0 | 0 | 0 | 113 | ||||
| 1190 | V | 27.6 | Very low | 25.6 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | -175.6 | 152.1 | 108.9 | 147.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 1191 | H | 27.1 | Very low | 25.6 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -55.7 | 172.8 | 178.5 | -48 | -97.6 | 0 | 0 | 0 | 114.6 | ||||
| 1192 | A | 26.6 | Very low | 25.6 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -159.3 | 164.3 | 21.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1193 | A | 26.3 | Very low | 25.7 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 61.2 | 95.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1194 | S | 24.6 | Very low | 25.9 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -121.5 | 162.7 | 149.6 | -75 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1195 | P | 30.9 | Very low | 25.9 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -100.2 | 174.6 | -167.3 | 40.2 | -37.3 | 0 | 0 | 0 | 114.6 | ||||
| 1196 | L | 22.7 | Very low | 26 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | 76.1 | 137.8 | 160.4 | -68.7 | 164.7 | 0 | 0 | 0 | 119.9 | ||||
| 1197 | F | 23.2 | Very low | 25.9 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 74 | 147.9 | 151.1 | -96.1 | -101.9 | 0 | 0 | 0 | 123.3 | ||||
| 1198 | E | 23.7 | Very low | 25.9 | Very low | 149 Ų | 149 | 137 Ų | 137 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | 74.7 | 113.1 | 149.1 | -109.6 | 143.7 | -131.6 | 0 | 0 | 124.8 | ||||
| 1199 | Y | 23.2 | Very low | 25.8 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 77.4 | 118.8 | 127.4 | -92.2 | -130.3 | 0 | 0 | 0 | 124.1 | |||||
| 1200 | L | 24 | Very low | 25.7 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | 65.7 | 128.6 | 136 | -65.6 | -176.8 | 0 | 0 | 0 | 124 | ||||
| 1201 | T | 25.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 67.7 | 132.3 | 140.3 | 53.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1202 | G | 25.3 | Very low | 25.5 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | 154.1 | 111.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1203 | N | 26.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -82 | 149.8 | 171.9 | -63.8 | -8.5 | 0 | 0 | 0 | 110.1 | ||||
| 1204 | E | 27.1 | Very low | 25.7 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | -168.3 | 139.5 | 120.9 | -108 | 171.7 | -157.4 | 0 | 0 | 110.6 | |||||
| 1205 | D | 25.8 | Very low | 25.7 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | trans | -83.2 | 131.3 | -179.8 | -65.3 | -69.2 | 0 | 0 | 0 | 111.2 | ||||
| 1206 | V | 25.6 | Very low | 25.4 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | trans | -134.8 | 98.8 | 169 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1207 | E | 24.1 | Very low | 25.4 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | trans | -75.1 | 135.5 | 171.1 | -59.9 | -173 | 105.3 | 0 | 0 | 111 | Y1209 | E1207-Y1209 HydrophobicContact CB-CD2 3.86Å; E1207-Y1209 HydrophobicContact CB-CE2 3.88Å; E1207-Y1209 VanDerWaalsContact CD-CE2 3.47Å; E1207-Y1209 HydrophobicContact CG-CE2 4.31Å; E1207-Y1209 VanDerWaalsContact OE2-CE2 3.29Å; E1207-Y1209 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 1208 | V | 27.8 | Very low | 25.4 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | trans | -100.3 | 103.3 | 169.6 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1209 | Y | 25.2 | Very low | 25.5 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 33% | 0.333 | 73% | 0.731 | S | S | . | * | trans | -92.9 | 153.9 | -175.5 | -101 | -135 | 0 | 0 | 0 | 114.2 | N678 E1207 | N678-Y1209 HydrophobicContact CB-CD1 3.76Å; N678-Y1209 HydrophobicContact CB-CD2 4.36Å; N678-Y1209 HydrophobicContact CB-CE1 3.48Å; N678-Y1209 VanDerWaalsContact CB-CE1 3.48Å; N678-Y1209 HydrophobicContact CB-CE2 4.09Å; N678-Y1209 HydrophobicContact CB-CG 4.23Å; N678-Y1209 VanDerWaalsContact CG-CZ 3.47Å; N678-Y1209 VanDerWaalsContact ND2-CE2 3.26Å; N678-Y1209 WeakPolarHBondContact ND2-CE2 3.45Å; N678-Y1209 PolarHBondContact ND2-OH 2.91Å; E1207-Y1209 HydrophobicContact CB-CD2 3.86Å; E1207-Y1209 HydrophobicContact CB-CE2 3.88Å; E1207-Y1209 VanDerWaalsContact CD-CE2 3.47Å; E1207-Y1209 HydrophobicContact CG-CE2 4.31Å; E1207-Y1209 VanDerWaalsContact OE2-CE2 3.29Å; E1207-Y1209 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 1210 | A | 25.8 | Very low | 25.7 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | trans | 59.6 | 123.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1211 | N | 25.5 | Very low | 25.7 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | -137 | 119.6 | 120.6 | -124 | -18.7 | 0 | 0 | 0 | 110 | |||||
| 1212 | S | 26.8 | Very low | 25.8 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | trans | 23.6 | 147.1 | 132.4 | 56.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1213 | D | 26.9 | Very low | 25.8 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | cis | -162.6 | 179.4 | -4.9 | -111.4 | -18.2 | 0 | 0 | 0 | 110.2 | ||||
| 1214 | P | 30.1 | Very low | 25.7 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -111.1 | 175.3 | -157.7 | 43 | -38.4 | 0 | 0 | 0 | 115.9 | ||||
| 1215 | S | 24.4 | Very low | 25.9 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 74 | 144.7 | 140 | 79 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1216 | V | 23.8 | Very low | 26.3 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | 54.9 | 106.8 | 129 | 177.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1217 | C | 23.2 | Very low | 26.4 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | trans | 72.3 | 128.5 | 140.3 | -68.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1218 | S | 23.4 | Very low | 26.6 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | trans | 71.3 | 136 | 131.5 | 62.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 1219 | N | 25.9 | Very low | 26.5 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | -45.5 | 154.8 | 151 | -39.9 | -37.9 | 0 | 0 | 0 | 110.1 | ||||
| 1220 | N | 26.2 | Very low | 26.5 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | -167.6 | 160.8 | 59.6 | -135.3 | 9.4 | 0 | 0 | 0 | 113.1 | |||||
| 1221 | L | 25.5 | Very low | 26.5 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -76.4 | 146 | 152.4 | -131.8 | 74.2 | 0 | 0 | 0 | 108.9 | ||
| 1222 | S | 26.6 | Very low | 26.6 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 52.1 | 115.5 | 160.3 | 58.3 | 0 | 0 | 0 | 0 | 120.6 | ||
| 1223 | Y | 25.4 | Very low | 26.7 | Very low | 213 Ų | 213 | 136.5 Ų | 136.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 56.2 | 134.7 | 134 | -76.8 | -89.9 | 0 | 0 | 0 | 122.9 | ||||
| 1224 | L | 23.5 | Very low | 26.9 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | 76.9 | 159.7 | 151.5 | -66 | 163.2 | 0 | 0 | 0 | 118.2 | ||||
| 1225 | P | 32.9 | Very low | 26.8 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -117.4 | -140.1 | -148.9 | 42.5 | -25.9 | 0 | 0 | 0 | 114.7 | ||||
| 1226 | P | 33.5 | Very low | 27 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -100 | 160.6 | -128.5 | 40.8 | -29.5 | 0 | 0 | 0 | 116.7 | |||||
| 1227 | G | 27.8 | Very low | 27.3 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 149 | 141.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1228 | V | 27.3 | Very low | 27.6 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 72.1 | 107.4 | 139.5 | -167.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1229 | L | 25.9 | Very low | 27.7 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 9.4 | 132.9 | 136.9 | -61.3 | 159.4 | 0 | 0 | 0 | 121.9 | ||||
| 1230 | K | 25.6 | Very low | 27.7 | Very low | 214 Ų | 214 | 132 Ų | 132 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | -178.2 | 171.2 | 107.7 | -104.8 | 179.9 | 178.4 | 179.3 | 0 | 115.7 | |||||
| 1231 | M | 26.7 | Very low | 27.6 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -95.3 | 163 | -179.6 | -54.6 | 155.9 | 154.1 | 0 | 0 | 113.3 | ||||
| 1232 | T | 27.7 | Very low | 27.5 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 92% | 0.92 | 79% | 0.787 | S | S | * | * | -165.5 | 167.2 | 125 | 21.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1233 | T | 28.5 | Very low | 27.4 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 144.4 | -170.2 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1234 | A | 32 | Very low | 27.3 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -170.3 | 161.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1235 | S | 27.3 | Very low | 27.4 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | 176.9 | 128.4 | -63 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1236 | G | 28.8 | Very low | 26.9 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 86.4 | 164.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1237 | S | 29.9 | Very low | 26.5 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | cis | -168.3 | 137.1 | -8 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1238 | N | 28.8 | Very low | 26.3 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 65.3 | 164.9 | 156 | -49.1 | -18.3 | 0 | 0 | 0 | 115.1 | ||||
| 1239 | A | 26.8 | Very low | 26.2 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | cis | -151.8 | 161.4 | 3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1240 | T | 25.7 | Very low | 26.1 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | cis | 165.1 | 156.3 | -9.3 | 33.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1241 | I | 24.6 | Very low | 26.4 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | 77.3 | 129.3 | 138.1 | -78.7 | 166.8 | 0 | 0 | 0 | 120.6 | ||||
| 1242 | L | 23.4 | Very low | 26.2 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 59 | 121.1 | 158.7 | -60.3 | 166.4 | 0 | 0 | 0 | 117.3 | ||||
| 1243 | S | 22.7 | Very low | 26.2 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | 78.1 | 149.2 | 50.9 | 86.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1244 | Q | 24.6 | Very low | 26 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | trans | 73.4 | 153.3 | 178.1 | -56.5 | -178.3 | 7.2 | 0 | 0 | 114.4 | ||||
| 1245 | N | 24.5 | Very low | 25.7 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | cis | -163.3 | 132.7 | -21.4 | -104.2 | -12.5 | 0 | 0 | 0 | 110.2 | ||||
| 1246 | G | 24 | Very low | 25.7 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 61.2 | -171.4 | 150 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1247 | V | 24.5 | Very low | 25.7 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 64.4 | 109.5 | 172.7 | -152.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1248 | E | 22.7 | Very low | 25.8 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | 57.6 | 135.2 | 72.3 | -54.4 | 170.7 | 128.9 | 0 | 0 | 110.4 | |||||
| 1249 | E | 26.7 | Very low | 25.7 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | cis | -138.1 | 151.3 | 28.3 | -73.6 | -176.7 | 118.5 | 0 | 0 | 110.3 | ||||
| 1250 | N | 23.6 | Very low | 25.7 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | 48.9 | 161.2 | 96.6 | -82.9 | -34.2 | 0 | 0 | 0 | 118.3 | |||||
| 1251 | I | 30.8 | Very low | 25.8 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 76.9 | 100.2 | -173.9 | -48.8 | 165.8 | 0 | 0 | 0 | 112.3 | ||||
| 1252 | S | 23.5 | Very low | 25.8 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | cis | 89.2 | 134.1 | 38.5 | 86.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1253 | N | 26.5 | Very low | 26.1 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 71.9 | 148.8 | 169.6 | -58.4 | -33 | 0 | 0 | 0 | 116.2 | ||||
| 1254 | Q | 25.8 | Very low | 26.5 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | cis | -156.7 | 152.9 | -5.6 | -126 | 167.6 | 4.7 | 0 | 0 | 113.2 | ||||
| 1255 | S | 25.5 | Very low | 26.6 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | 27.8 | 125.4 | 151.2 | 59.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1256 | N | 27.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | -170.8 | 113.9 | 117.5 | -106.4 | -26.3 | 0 | 0 | 0 | 114.5 | |||||
| 1257 | P | 28.5 | Very low | 26.8 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -107.4 | 133.9 | 163.8 | 35.4 | -26.1 | 0 | 0 | 0 | 112.2 | ||||
| 1258 | I | 30.5 | Very low | 26.8 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -115.4 | 149.9 | -177.4 | -63.2 | 179 | 0 | 0 | 0 | 111 | ||||
| 1259 | S | 26.9 | Very low | 27 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -135.3 | 168.7 | -153 | 60.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1260 | R | 26.9 | Very low | 26.9 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 119.4 | 160.7 | 153 | -69.8 | -176.2 | -172.5 | -145 | 1.8 | 115.8 | ||||
| 1261 | P | 28 | Very low | 27 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -121.3 | -170.5 | 0.8 | 24.8 | -1.3 | 0 | 0 | 0 | 115.3 | ||||
| 1262 | K | 25.8 | Very low | 26.8 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -122.4 | 171.9 | -179.8 | -107.2 | -171.5 | 176 | -170.8 | 0 | 112.7 | ||||
| 1263 | L | 29.3 | Very low | 27 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 169.6 | -175.2 | -62.9 | 71.6 | 0 | 0 | 0 | 114.9 | ||||
| 1264 | P | 30.9 | Very low | 27 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -95 | 154.5 | 141.4 | 37 | -29.4 | 0 | 0 | 0 | 112.9 | ||||
| 1265 | D | 26.7 | Very low | 27.1 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -105.8 | -173.6 | -169.6 | -68.8 | -63 | 0 | 0 | 0 | 115.5 | ||||
| 1266 | S | 25.3 | Very low | 27.1 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 84.4 | 142.4 | -178 | 77.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1267 | I | 27.5 | Very low | 27.1 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -117.3 | 148.4 | 21.4 | -67.5 | 166.2 | 0 | 0 | 0 | 112.8 | ||||
| 1268 | N | 24.6 | Very low | 27.1 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -98.8 | 146.1 | 178.4 | -86.1 | -45.1 | 0 | 0 | 0 | 113.8 | ||||
| 1269 | I | 25.7 | Very low | 26.9 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -135.1 | 126.3 | 156.1 | -58.2 | -179.7 | 0 | 0 | 0 | 107.4 | ||||
| 1270 | P | 25.4 | Very low | 27 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -92.3 | 144 | -163.3 | 34.4 | -35.8 | 0 | 0 | 0 | 115.4 | ||||
| 1271 | F | 25.1 | Very low | 26.9 | Very low | 191 Ų | 191 | 141 Ų | 141 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -125.8 | 145.3 | 149.7 | -82.9 | -86.7 | 0 | 0 | 0 | 108.4 | ||||
| 1272 | P | 27.5 | Very low | 26.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -78.1 | 140.4 | -167.8 | 30.1 | -35.4 | 0 | 0 | 0 | 113.8 | ||||
| 1273 | V | 26.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -138.4 | 128.2 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1274 | P | 27.5 | Very low | 26.9 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -122.8 | 160.1 | 166.1 | 40.9 | -29.8 | 0 | 0 | 0 | 112.2 | ||||
| 1275 | P | 27.2 | Very low | 26.6 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -120.8 | 174.1 | -76.1 | 34.9 | -20.2 | 0 | 0 | 0 | 112.9 | |||||
| 1276 | T | 25.9 | Very low | 26.4 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -114.2 | 146 | -175.4 | 48.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1277 | C | 27.7 | Very low | 26.5 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -174.2 | 116.6 | 152.9 | -101.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1278 | H | 27.2 | Very low | 26.4 | Very low | 173 Ų | 173 | 141 Ų | 141 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | 73.6 | 106.2 | 67.9 | -86.4 | 61.9 | 0 | 0 | 0 | 116.4 | |||||
| 1279 | S | 27.6 | Very low | 26.7 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | -177.1 | 126.4 | 120 | 34.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1280 | N | 27.5 | Very low | 26.8 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 60.7 | 102.7 | 132.5 | -57.7 | -2.1 | 0 | 0 | 0 | 124.6 | ||||
| 1281 | L | 24.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | 71.8 | 138.8 | 113.6 | -92.8 | 70.7 | 0 | 0 | 0 | 124.2 | |||||
| 1282 | C | 26.4 | Very low | 27.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 87.5 | 123.8 | 145.3 | -71.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1283 | T | 27.3 | Very low | 27.3 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -85.4 | -179 | 163.6 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1284 | P | 30.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -159.8 | -177.2 | 34.6 | 46.8 | -23.4 | 0 | 0 | 0 | 121.8 | ||||
| 1285 | K | 23.2 | Very low | 27.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | 64.7 | 122.9 | 145.4 | -81.9 | -177.5 | 175.7 | -176.3 | 0 | 124 | ||||
| 1286 | L | 23.1 | Very low | 27.4 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 40.2 | 130.3 | 135.9 | -78.2 | 91.3 | 0 | 0 | 0 | 123 | ||||
| 1287 | A | 27.5 | Very low | 27.5 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -154.9 | 161.2 | 133.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1288 | Y | 25.4 | Very low | 27.5 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -110.3 | 156.6 | -179.3 | -112.8 | -106.4 | 0 | 0 | 0 | 110.9 | ||||
| 1289 | Q | 30.6 | Very low | 27.8 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | 179.2 | 156.1 | 121.4 | -99.6 | 175.2 | -1.5 | 0 | 0 | 114.1 | |||||
| 1290 | N | 28.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 52% | 0.524 | 78% | 0.783 | S | S | . | * | trans | -96.5 | 165.9 | -174.7 | -58.8 | -1.5 | 0 | 0 | 0 | 112.6 | ||||
| 1291 | N | 31.9 | Very low | 27.9 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | -168.9 | 157.7 | 127.6 | -98.1 | -33.4 | 0 | 0 | 0 | 113.1 | |||||
| 1292 | S | 27.7 | Very low | 28 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -128.5 | 162.1 | -164.9 | -39.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1293 | L | 28.9 | Very low | 28 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -168.1 | 164.6 | 150.4 | -108.7 | 154.1 | 0 | 0 | 0 | 114.7 | ||||
| 1294 | H | 29 | Very low | 27.9 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -96.4 | 166.5 | -169 | -72.5 | -114.4 | 0 | 0 | 0 | 114.4 | ||||
| 1295 | L | 28.7 | Very low | 27.8 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | 178.7 | 117.6 | 106.2 | -111 | 93.7 | 0 | 0 | 0 | 116.9 | |||||
| 1296 | L | 25.7 | Very low | 28 | Very low | 147 Ų | 147 | 144 Ų | 144 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 49.2 | 135.2 | 131.7 | -72.7 | 167 | 0 | 0 | 0 | 127.1 | ||||
| 1297 | S | 27.3 | Very low | 28.2 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 102.4 | 98.1 | 130.9 | 66.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1298 | L | 28.7 | Very low | 28.2 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | 27.7 | 160.7 | 111 | -63.4 | 166.6 | 0 | 0 | 0 | 121.5 | |||||
| 1299 | P | 33.8 | Very low | 28.3 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | cis | -146.8 | 171.4 | -43.7 | 41.9 | -24.5 | 0 | 0 | 0 | 116.5 | ||||
| 1300 | G | 27.9 | Very low | 28 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | 126.2 | 151.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1301 | R | 28.1 | Very low | 28 | Very low | 223 Ų | 223 | 137.6 Ų | 137.6 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | 87.3 | 116.2 | 145.6 | -74 | -170.1 | 167.4 | -160.6 | -3.2 | 124.1 | ||||
| 1302 | Y | 28 | Very low | 27.7 | Very low | 197 Ų | 197 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 62.6 | 96.7 | 139.1 | -67 | -67.8 | 0 | 0 | 0 | 123.3 | ||||
| 1303 | A | 25.2 | Very low | 27.7 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | 62.8 | 134.7 | 106.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1304 | S | 25.9 | Very low | 27.6 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 106.6 | 119.6 | 135.5 | -97.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1305 | N | 29.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 90.8 | 95.1 | 142.5 | -58 | 5.9 | 0 | 0 | 0 | 120.9 | ||||
| 1306 | Q | 26.4 | Very low | 27.2 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | 34.1 | 124.5 | 130.9 | -66.2 | 179.5 | -48.8 | 0 | 0 | 121.3 | ||||
| 1307 | L | 28 | Very low | 27.1 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | -158.4 | 174.2 | 107.5 | -104.8 | 167.6 | 0 | 0 | 0 | 110.5 | |||||
| 1308 | D | 26.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -87 | 135.6 | -166.1 | -60 | -70.5 | 0 | 0 | 0 | 114.6 | ||||
| 1309 | E | 28.3 | Very low | 27.1 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -157.1 | 154.2 | 143.6 | -127.2 | 168.5 | -129.8 | 0 | 0 | 110.8 | M1111 | M1111-E1309 PolarHBondContact N-OE1 2.97Š| ||
| 1310 | S | 24.2 | Very low | 26.7 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -112.2 | 126.3 | -165.3 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1311 | A | 28.7 | Very low | 26.6 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -148.4 | 126.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1312 | D | 26.4 | Very low | 26.6 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -96.4 | 129.2 | 175.5 | 169.3 | 10.8 | 0 | 0 | 0 | 110.2 | Q1314 | D1312-Q1314 PolarHBondContact OD1-N 2.67Š| ||
| 1313 | P | 27.1 | Very low | 26.6 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -131.5 | 78.7 | 163.2 | 38.6 | -23 | 0 | 0 | 0 | 113.6 | ||||
| 1314 | Q | 26.5 | Very low | 26.6 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -164.4 | 80.2 | 134.1 | -108.8 | 160.7 | 27.3 | 0 | 0 | 115.7 | D1312 | D1312-Q1314 PolarHBondContact OD1-N 2.67Š| ||
| 1315 | K | 23.5 | Very low | 26.6 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -132.8 | 71.7 | 166.9 | -160.3 | -178.8 | -176.1 | -173 | 0 | 112.5 | ||||
| 1316 | F | 25.6 | Very low | 26.4 | Very low | 217 Ų | 217 | 135.5 Ų | 135.5 | 95% | 0.952 | 76% | 0.76 | S | S | * | * | trans | -83 | 112.7 | 170.1 | -97.3 | -88.8 | 0 | 0 | 0 | 110.5 | ||||
| 1317 | T | 24 | Very low | 26.3 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | -114.3 | 128.1 | 173.6 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1318 | S | 27.2 | Very low | 26.2 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -117.8 | 114.3 | -172.8 | 58.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1319 | E | 27.7 | Very low | 26.2 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 62 | 98.8 | 142 | -55.6 | -168.2 | 135.1 | 0 | 0 | 120.5 | ||||
| 1320 | D | 25.2 | Very low | 26 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | 11.2 | 122.2 | 140.3 | -64.4 | -26.3 | 0 | 0 | 0 | 120.2 | ||||
| 1321 | T | 27.5 | Very low | 26.1 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -132.5 | 127.3 | 154.5 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1322 | V | 27 | Very low | 25.8 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -108.2 | 118.9 | -171.7 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1323 | P | 28 | Very low | 25.8 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | -82.9 | 125.4 | 173.3 | -7.4 | 25.1 | 0 | 0 | 0 | 111.7 | ||||
| 1324 | A | 24.6 | Very low | 25.8 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | -109.4 | 108.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1325 | Y | 26.6 | Very low | 25.6 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 59% | 0.592 | 76% | 0.757 | S | S | * | * | trans | -142.2 | 101.6 | 171.8 | -78.9 | -70 | 0 | 0 | 0 | 112.3 | Y277 | Y277-Y1325 HydrophobicContact CE1-CE2 4.45Å; Y277-Y1325 WeakPolarHBondContact CE1-OH 3.32Å | ||
| 1326 | A | 26.7 | Very low | 25.7 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | -150.6 | 122.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1327 | S | 22.9 | Very low | 25.6 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 50% | 0.497 | 75% | 0.749 | S | S | . | * | trans | -102.8 | 130.3 | 179.6 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | T1509 | S1327-T1509 VanDerWaalsContact OG-CG2 3.32Å; S1327-T1509 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 1328 | C | 25.6 | Very low | 25.7 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -154.1 | 170.8 | 163.9 | -104.8 | 0 | 0 | 0 | 0 | 112.8 | Y1511 | C1328-Y1511 PolarHBondContact O-OH 2.86Å; C1328-Y1511 VanDerWaalsContact O-OH 3.14Å | ||
| 1329 | S | 26.8 | Very low | 25.5 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 51% | 0.51 | 76% | 0.757 | S | S | . | * | trans | -85.3 | 138.1 | -160.3 | 42.4 | 0 | 0 | 0 | 0 | 115.6 | Y1511 | S1329-Y1511 VanDerWaalsContact CB-CE1 3.44Š| ||
| 1330 | V | 24 | Very low | 25.3 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | trans | -79.4 | 122.5 | 160.5 | 178.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1331 | F | 26 | Very low | 25.3 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.772 | 75% | 0.746 | S | S | * | * | trans | -118.4 | 146.4 | 159.3 | -111.4 | -90.7 | 0 | 0 | 0 | 108.7 | ||||
| 1332 | N | 23.2 | Very low | 25.3 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -64.4 | 142.2 | 179.6 | -76.1 | -26 | 0 | 0 | 0 | 111.9 | ||||
| 1333 | I | 25.6 | Very low | 25.1 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -143.1 | 158.2 | 131.7 | -97.9 | 143.9 | 0 | 0 | 0 | 107.5 | ||||
| 1334 | H | 27 | Very low | 25.1 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -54.5 | 141.3 | -161.8 | -81.6 | -104.6 | 0 | 0 | 0 | 116.2 | ||||
| 1335 | K | 23.2 | Very low | 25.2 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | -64.3 | 128.6 | 136.4 | -88 | -172.6 | 165.9 | -163.6 | 0 | 108.1 | ||||
| 1336 | T | 25.3 | Very low | 25.1 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | -113.5 | 147.9 | 150.2 | 5.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1337 | E | 23.8 | Very low | 25.2 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -108.9 | -169.6 | -170 | -60.9 | -179.3 | 130.4 | 0 | 0 | 110.8 | ||||
| 1338 | V | 25.1 | Very low | 25.3 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 74.7 | 78.7 | 168.1 | -162.4 | 0 | 0 | 0 | 0 | 115.7 | D1340 | V1338-D1340 HydrophobicContact CG1-CB 4.21Š| ||
| 1339 | I | 24.2 | Very low | 25.2 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 94% | 0.938 | 77% | 0.765 | S | S | * | * | trans | -89.2 | 94.8 | 130.2 | -60.6 | 177.9 | 0 | 0 | 0 | 106.5 | ||||
| 1340 | D | 24.1 | Very low | 25.1 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 60% | 0.599 | 77% | 0.773 | S | S | * | * | trans | -142 | 100.2 | 156.5 | -166.5 | 1.7 | 0 | 0 | 0 | 109.9 | V1338 | V1338-D1340 HydrophobicContact CG1-CB 4.21Š| ||
| 1341 | H | 25.3 | Very low | 25.1 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -145.6 | 61.8 | 166.6 | -114.7 | 58.1 | 0 | 0 | 0 | 109.7 | N1343 | H1341-N1343 PolarHBondContact O-N 2.96Š| ||
| 1342 | C | 25.9 | Very low | 25.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -63.9 | 85 | 158.5 | -84 | 0 | 0 | 0 | 0 | 110 | ||||
| 1343 | N | 24.3 | Very low | 25.5 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 60% | 0.599 | 76% | 0.763 | S | S | * | * | trans | -123.4 | 72.1 | 176.2 | -121 | -22.6 | 0 | 0 | 0 | 110.5 | H1341 | H1341-N1343 PolarHBondContact O-N 2.96Š| ||
| 1344 | Q | 27.3 | Very low | 25.4 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -136.3 | 114.6 | 152.4 | -114 | 171.7 | 24.5 | 0 | 0 | 111 | ||||
| 1345 | H | 26.4 | Very low | 25.3 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | -67.3 | 155.8 | 176.3 | -97 | -119.8 | 0 | 0 | 0 | 112.2 | ||||
| 1346 | S | 25 | Very low | 25.4 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | trans | 65.9 | 152.7 | 151.6 | 65.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1347 | G | 27.9 | Very low | 25.3 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 137.6 | 19.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1348 | T | 25.4 | Very low | 25.3 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 21.1 | 125.7 | 149.2 | 49.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1349 | L | 24 | Very low | 25.4 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | 70.3 | 102.9 | 142.2 | -89.7 | 71.6 | 0 | 0 | 0 | 120.2 | ||||
| 1350 | S | 23.7 | Very low | 25.4 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | 94.5 | 151.6 | 107.1 | 79.6 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1351 | V | 25.3 | Very low | 25.4 | Very low | 126 Ų | 126 | 124 Ų | 124 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | 67.9 | 127.9 | 154.3 | 165.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1352 | I | 27.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 60% | 0.595 | 70% | 0.701 | S | S | * | * | cis | -148.1 | 142.6 | -12.5 | -104.1 | 166.3 | 0 | 0 | 0 | 107.3 | ||||
| 1353 | P | 29.5 | Very low | 25.2 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -110.8 | 120.9 | 165 | 34.8 | -25.2 | 0 | 0 | 0 | 112.5 | ||||
| 1354 | M | 23.7 | Very low | 25.2 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -169.4 | 153.8 | 170.9 | -90.2 | -121.6 | 169.3 | 0 | 0 | 109.7 | ||||
| 1355 | H | 25.5 | Very low | 25 | Very low | 135 Ų | 135 | 123 Ų | 123 | 63% | 0.625 | 69% | 0.689 | S | S | * | * | cis | -166 | 149.7 | -33.6 | -134.7 | -62.1 | 0 | 0 | 0 | 108.5 | ||||
| 1356 | N | 23.8 | Very low | 25 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | trans | 26.7 | 131.1 | 144 | -78.9 | 15.8 | 0 | 0 | 0 | 122.6 | ||||
| 1357 | N | 24.5 | Very low | 25 | Very low | 116 Ų | 116 | 123 Ų | 123 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | 88.9 | 148.9 | 122.6 | -72 | -7.7 | 0 | 0 | 0 | 122.5 | |||||
| 1358 | S | 24.3 | Very low | 25 | Very low | 50 Ų | 50 | 124.2 Ų | 124.2 | 35% | 0.35 | 66% | 0.663 | S | S | . | * | trans | 70.6 | 174.1 | 143.8 | 72.7 | 0 | 0 | 0 | 0 | 118.9 | S1569 | S1358-S1569 VanDerWaalsContact CA-OG 3.32Å; S1358-S1569 WeakPolarHBondContact CA-OG 3.37Å; S1358-S1569 WeakPolarHBondContact CB-OG 3.48Å | ||
| 1359 | N | 26.5 | Very low | 25.2 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 54% | 0.535 | 66% | 0.656 | S | S | . | * | trans | 84.2 | 130.9 | 171.7 | -44.2 | -32.3 | 0 | 0 | 0 | 113.4 | M1567 | N1359-M1567 WeakPolarHBondContact O-CE 3.31Š| ||
| 1360 | L | 24 | Very low | 25.4 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 72% | 0.723 | 64% | 0.644 | S | S | * | * | cis | -153.1 | 169.1 | -8.1 | -151.3 | 59.8 | 0 | 0 | 0 | 112.3 | ||||
| 1361 | C | 23.4 | Very low | 25.6 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | trans | -41.1 | 173.6 | 164.8 | -47.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1362 | T | 23.7 | Very low | 25.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 73% | 0.73 | 64% | 0.642 | S | S | * | * | trans | 78.4 | 142.6 | 159.3 | 70.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1363 | K | 24 | Very low | 25.7 | Very low | 166 Ų | 166 | 124.2 Ų | 124.2 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | cis | -163.9 | 152.9 | 3.6 | -127.4 | 166.9 | -171.2 | 171.7 | 0 | 109.8 | ||||
| 1364 | L | 23.3 | Very low | 25.5 | Very low | 140 Ų | 140 | 122.1 Ų | 122.1 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | trans | 67.7 | 145.4 | 155.5 | -55.2 | 165.3 | 0 | 0 | 0 | 114.3 | ||||
| 1365 | K | 24 | Very low | 25.8 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | cis | -155.1 | 165 | 2.4 | -127.6 | 168.4 | 166.2 | -86.7 | 0 | 109.9 | ||||
| 1366 | D | 26 | Very low | 25.7 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 56% | 0.556 | 64% | 0.641 | S | S | * | * | trans | 36.3 | 132.9 | 143.4 | -53.7 | -14.9 | 0 | 0 | 0 | 119.5 | ||||
| 1367 | Y | 25.9 | Very low | 25.9 | Very low | 183 Ų | 183 | 122.9 Ų | 122.9 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | cis | -164.9 | 147.3 | 20.2 | -140.4 | -152.8 | 0 | 0 | 0 | 111.7 | ||||
| 1368 | N | 28.2 | Very low | 26 | Very low | 91 Ų | 91 | 124 Ų | 124 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | trans | 67.6 | 140.4 | 141.3 | -73.2 | 11.8 | 0 | 0 | 0 | 121.3 | ||||
| 1369 | Q | 29.5 | Very low | 26.1 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | cis | -163.1 | 158.3 | -10.8 | -126.8 | 171.7 | 4.2 | 0 | 0 | 112.9 | ||||
| 1370 | N | 28.3 | Very low | 26.2 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 55% | 0.551 | 68% | 0.683 | S | S | * | * | trans | 61.4 | 110.7 | 147.2 | -63.5 | -22.8 | 0 | 0 | 0 | 118.6 | ||||
| 1371 | N | 27.7 | Very low | 26.6 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | 85.8 | 149.3 | 88 | -61.3 | -16.5 | 0 | 0 | 0 | 112 | |||||
| 1372 | F | 28.6 | Very low | 27.1 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | cis | -117.4 | 163.6 | -3.9 | -78.1 | -88.9 | 0 | 0 | 0 | 108.2 | ||||
| 1373 | A | 24.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 72% | 0.719 | 69% | 0.685 | S | S | * | * | 51.6 | 140.6 | 63.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1374 | A | 26 | Very low | 27.6 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | cis | -161.3 | -179.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1375 | N | 29.2 | Very low | 27.6 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | 66.6 | 131.8 | 160.8 | -48.1 | -24.3 | 0 | 0 | 0 | 117.2 | ||||
| 1376 | S | 24 | Very low | 27.7 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | cis | 80.4 | 78.7 | 20.3 | 92.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1377 | F | 28.4 | Very low | 27.6 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | -146.8 | 122.5 | 156.7 | -85.7 | -85.7 | 0 | 0 | 0 | 106.8 | ||||
| 1378 | N | 26 | Very low | 27.5 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | cis | 94 | 141.5 | 12.5 | -152.1 | 15.2 | 0 | 0 | 0 | 116.1 | ||||
| 1379 | L | 26.9 | Very low | 27.3 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | 64.8 | 147.5 | -167.5 | -61.8 | 89.3 | 0 | 0 | 0 | 114.9 | ||||
| 1380 | G | 29.3 | Very low | 27.1 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | cis | 158.3 | 159.9 | -2.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1381 | D | 32.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | cis | -157.1 | 152.9 | -9.1 | -77 | -58 | 0 | 0 | 0 | 107.8 | ||||
| 1382 | N | 33.5 | Very low | 26.7 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | -173 | 168.6 | 86.5 | -86.8 | -97.2 | 0 | 0 | 0 | 107.5 | |||||
| 1383 | L | 27.8 | Very low | 26.6 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | cis | 68.4 | 147.7 | 36.9 | -60.7 | 166.8 | 0 | 0 | 0 | 113.1 | ||||
| 1384 | K | 29.4 | Very low | 26.6 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | cis | -124.9 | 148.8 | 10.2 | -73.8 | 177.6 | -177.7 | 177.4 | 0 | 109.2 | ||||
| 1385 | S | 24.7 | Very low | 26.5 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 66.7 | 139.9 | 52.1 | 91.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1386 | A | 25.7 | Very low | 26.3 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | cis | -168.6 | 157.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1387 | E | 23.4 | Very low | 26.5 | Very low | 162 Ų | 162 | 130 Ų | 130 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | 51.2 | 165.6 | 140.6 | -58.6 | 174 | 126.1 | 0 | 0 | 125.4 | ||||
| 1388 | F | 24 | Very low | 26.4 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 87.1 | 107.3 | 146.9 | -81.6 | -65.5 | 0 | 0 | 0 | 124.2 | ||||
| 1389 | L | 23.4 | Very low | 26.3 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | 46.6 | 127.7 | 139.5 | -73.8 | 172.3 | 0 | 0 | 0 | 122.9 | ||||
| 1390 | G | 26.1 | Very low | 26 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | trans | 145.7 | 119.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1391 | S | 23 | Very low | 25.7 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | cis | 66.6 | 120.8 | 30.8 | -143 | 0 | 0 | 0 | 0 | 112 | ||||
| 1392 | V | 25.1 | Very low | 25.3 | Very low | 110 Ų | 110 | 125 Ų | 125 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | cis | -160.8 | 158.6 | -0.6 | 87.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1393 | N | 25 | Very low | 24.8 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | 61.3 | 157.4 | 172.8 | -61.1 | -13.8 | 0 | 0 | 0 | 116.4 | ||||
| 1394 | G | 24.9 | Very low | 24.7 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | cis | 160.6 | 154 | -7.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1395 | S | 23.4 | Very low | 24.5 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 44.9 | 116.8 | 167.1 | 57.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1396 | H | 26.8 | Very low | 24.5 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | -173.9 | 147.1 | 85 | -109.7 | -83.7 | 0 | 0 | 0 | 113.7 | |||||
| 1397 | L | 28.3 | Very low | 24.5 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | trans | -67.9 | 143 | 144.7 | -92.5 | 73.4 | 0 | 0 | 0 | 108 | ||||
| 1398 | P | 25.4 | Very low | 24.6 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | -144.2 | 167.8 | 89.6 | 40 | -25.4 | 0 | 0 | 0 | 116.2 | |||||
| 1399 | S | 23.6 | Very low | 24.6 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | -79.1 | 172.6 | 164.1 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1400 | C | 21.3 | Very low | 24.7 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 80.5 | 141.5 | 151.8 | -75.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1401 | N | 23.1 | Very low | 24.7 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | trans | 75.4 | 105.9 | 146.5 | -71.3 | 47.5 | 0 | 0 | 0 | 120.6 | ||||
| 1402 | D | 23.2 | Very low | 24.9 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | 106.5 | 113.2 | 106.2 | -69.8 | -7.1 | 0 | 0 | 0 | 122.2 | |||||
| 1403 | F | 22.8 | Very low | 25 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | 81.4 | 152.6 | 127.4 | -86.1 | -113.6 | 0 | 0 | 0 | 122.6 | |||||
| 1404 | H | 26.3 | Very low | 25 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | 76.8 | 99.9 | 147.7 | -74.8 | -37.4 | 0 | 0 | 0 | 122.1 | ||||
| 1405 | N | 24.9 | Very low | 25 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | 104 | 117.8 | 102.9 | -80 | 5 | 0 | 0 | 0 | 122.3 | |||||
| 1406 | V | 25.1 | Very low | 25.1 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | 102.2 | 140.3 | 117 | 162.1 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1407 | A | 25.5 | Very low | 25.1 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | 79.9 | 138.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1408 | S | 25 | Very low | 25 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | cis | -166.7 | 162.3 | -18.4 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1409 | R | 24.7 | Very low | 25.2 | Very low | 236 Ų | 236 | 135.2 Ų | 135.2 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | trans | 68.3 | 144.6 | 166.7 | -56.9 | 171.2 | 179.8 | -174.5 | -0.8 | 115.6 | ||||
| 1410 | S | 24.9 | Very low | 25.4 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | cis | -170.1 | 158.1 | -18.2 | 60.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1411 | R | 27.2 | Very low | 25.9 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | cis | -131.4 | 144.3 | 14.4 | -86.4 | -169.5 | 172.1 | 145.4 | 1.1 | 109.8 | ||||
| 1412 | Q | 27.1 | Very low | 26 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | 56.9 | 123.5 | 81 | -103.4 | 175.2 | -14.5 | 0 | 0 | 110.7 | |||||
| 1413 | F | 26.3 | Very low | 26 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | cis | -179.6 | 172.3 | 45.1 | -118 | -54.6 | 0 | 0 | 0 | 109.6 | ||||
| 1414 | T | 25.1 | Very low | 26.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | trans | 54.4 | 120.9 | 155.5 | 52.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1415 | S | 24.7 | Very low | 25.9 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | 60.3 | 94.3 | 47.7 | 86.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1416 | H | 26.4 | Very low | 25.8 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | -174.5 | 167.7 | 128.4 | -96.6 | -58.9 | 0 | 0 | 0 | 111.4 | |||||
| 1417 | N | 25.9 | Very low | 25.9 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -35.8 | 156.4 | 170.8 | -51.3 | -16 | 0 | 0 | 0 | 113.9 | ||||
| 1418 | I | 26.8 | Very low | 26.1 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | cis | -142.9 | 133 | 40 | -66.8 | 168.7 | 0 | 0 | 0 | 112.4 | ||||
| 1419 | N | 29.4 | Very low | 26.3 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | 57.9 | 109 | 157.6 | -60.6 | -3.6 | 0 | 0 | 0 | 121.2 | ||||
| 1420 | S | 27.2 | Very low | 26.3 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | 1.9 | 153.8 | 109.8 | -48 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1421 | P | 32.8 | Very low | 26.4 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | cis | -133.3 | -165.2 | 26.6 | 34.4 | -13.2 | 0 | 0 | 0 | 114.5 | ||||
| 1422 | V | 24.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | -169.1 | 142 | -68.1 | 131.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1423 | I | 23.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 69.9 | 129.4 | 170.7 | -81.3 | 163 | 0 | 0 | 0 | 114.6 | ||||
| 1424 | R | 23.3 | Very low | 26.6 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | 66.5 | 148.5 | 67.5 | -86.3 | 159.4 | 162.6 | -133.2 | 10.8 | 111.7 | |||||
| 1425 | E | 23 | Very low | 26.7 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 60% | 0.603 | 75% | 0.754 | S | S | * | * | cis | -145.9 | 169 | 19.3 | -139 | 128 | -126 | 0 | 0 | 112.5 | ||||
| 1426 | E | 23.5 | Very low | 27 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -1.1 | 132.4 | 164.1 | -60.7 | 170.8 | 178.5 | 0 | 0 | 121.4 | ||||
| 1427 | H | 26.4 | Very low | 27.3 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | -167.3 | 159.7 | 112.8 | -101.4 | 43.7 | 0 | 0 | 0 | 111.5 | |||||
| 1428 | K | 30.5 | Very low | 27.4 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -134.3 | 123 | -168.7 | 177.4 | -166.1 | 177.6 | -170.6 | 0 | 112.8 | ||||
| 1429 | P | 28.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -121 | 122.1 | 149.2 | 14.1 | 6.8 | 0 | 0 | 0 | 110 | ||||
| 1430 | E | 25 | Very low | 27.8 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | 73.8 | 118.6 | 86.2 | -71.9 | -159.7 | 135.2 | 0 | 0 | 114.9 | I1432 | E1430-I1432 PolarHBondContact O-N 3.44Š| |||
| 1431 | N | 26.8 | Very low | 28 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -78 | 98.9 | 177.9 | -78.5 | -30 | 0 | 0 | 0 | 110.5 | I1433 | N1431-I1433 PolarHBondContact O-N 2.88Š| ||
| 1432 | I | 25.6 | Very low | 27.9 | Very low | 157 Ų | 157 | 145 Ų | 145 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -76.1 | 103.8 | 170.2 | -58.6 | 177.9 | 0 | 0 | 0 | 108.9 | E1430 | E1430-I1432 PolarHBondContact O-N 3.44Š| ||
| 1433 | I | 28 | Very low | 28.1 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68 | 127.9 | 164 | -59.4 | 173.9 | 0 | 0 | 0 | 107 | N1431 | N1431-I1433 PolarHBondContact O-N 2.88Š|
| 1434 | P | 30.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 137.7 | 177.7 | 27.1 | -34.2 | 0 | 0 | 0 | 110.3 | ||
| 1435 | P | 27 | Very low | 28.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150.5 | 177.9 | 27.9 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 1436 | P | 32.3 | Very low | 29 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148 | 167 | 29.3 | -34.6 | 0 | 0 | 0 | 109.8 | E1438 | P1436-E1438 PolarHBondContact O-N 2.85Š|
| 1437 | P | 31.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 119.9 | -176.4 | 26.7 | -34.1 | 0 | 0 | 0 | 111.4 | Y1439 | P1437-Y1439 HydrophobicContact CG-CE2 4.46Å; P1437-Y1439 PolarHBondContact O-N 2.95Å |
| 1438 | E | 29.1 | Very low | 29.3 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 127.3 | 167.3 | -69.6 | -173.3 | 119.2 | 0 | 0 | 110 | P1436 | P1436-E1438 PolarHBondContact O-N 2.85Š|
| 1439 | Y | 32.1 | Very low | 29.1 | Very low | 203 Ų | 203 | 135 Ų | 135 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 125.3 | 172.7 | -78.4 | -87.3 | 0 | 0 | 0 | 109.7 | P1437 | P1437-Y1439 HydrophobicContact CG-CE2 4.46Å; P1437-Y1439 PolarHBondContact O-N 2.95Å |
| 1440 | P | 32.1 | Very low | 29.2 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146.7 | 178.2 | 27.7 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 1441 | P | 30.9 | Very low | 29.3 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 144.9 | 178.4 | 28.5 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 1442 | P | 31.2 | Very low | 29.3 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.4 | 174.4 | 28.9 | -34.6 | 0 | 0 | 0 | 111.2 | ||
| 1443 | P | 28.9 | Very low | 29.4 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.8 | -175.6 | 27.4 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 1444 | L | 30.7 | Very low | 29.6 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 129.2 | 173.9 | -70.5 | 167.6 | 0 | 0 | 0 | 110.8 | L1446 | L1444-L1446 PolarHBondContact O-N 2.78Š|
| 1445 | P | 31.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 126.8 | 169 | -15.5 | 30.2 | 0 | 0 | 0 | 110.9 | ||
| 1446 | L | 27.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 131 | 170.6 | -83.5 | 72.3 | 0 | 0 | 0 | 110.1 | L1444 | L1444-L1446 PolarHBondContact O-N 2.78Š|
| 1447 | A | 26.2 | Very low | 29.8 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 126.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1448 | S | 30.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -135.7 | 105 | 175 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1449 | T | 26.3 | Very low | 29.6 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -92.6 | 137.2 | 174.4 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1450 | K | 29.3 | Very low | 29.6 | Very low | 213 Ų | 213 | 137.8 Ų | 137.8 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | trans | -159.2 | 168.2 | 148.1 | -113.2 | 162.2 | -173.9 | 178.1 | 0 | 111.7 | ||||
| 1451 | L | 27 | Very low | 29.4 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -133.3 | 169.5 | -149.8 | -144.4 | 78.8 | 0 | 0 | 0 | 113.4 | ||||
| 1452 | C | 27.5 | Very low | 29.4 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 74.5 | 145.8 | 168.1 | -53.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1453 | G | 28.5 | Very low | 29.2 | Very low | 69 Ų | 69 | 143.4 Ų | 143.4 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | cis | 156.4 | 126.8 | -17 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1454 | L | 30.7 | Very low | 29 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | 66.5 | 166.3 | 157.9 | -69.6 | 169.8 | 0 | 0 | 0 | 119.4 | ||||
| 1455 | P | 34.3 | Very low | 28.9 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | cis | -132.5 | 165.1 | -11 | 28.1 | -6 | 0 | 0 | 0 | 117.7 | ||||
| 1456 | N | 29.2 | Very low | 28.7 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | 9.5 | 143.4 | 150.3 | -54 | -6 | 0 | 0 | 0 | 124.2 | ||||
| 1457 | L | 30.7 | Very low | 28.7 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -146 | 154.9 | 138.1 | -147.2 | 78.6 | 0 | 0 | 0 | 111.3 | ||||
| 1458 | W | 25.7 | Very low | 28.7 | Very low | 212 Ų | 212 | 139.2 Ų | 139.2 | 80% | 0.803 | 81% | 0.814 | S | S | * | * | trans | -103.3 | 155.4 | -175 | -74.6 | 15.9 | 0 | 0 | 0 | 114.2 | ||||
| 1459 | I | 31.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -153.6 | 140.4 | 130.1 | -56.5 | -168.3 | 0 | 0 | 0 | 109.1 | ||||
| 1460 | P | 31.7 | Very low | 28.5 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 60% | 0.597 | 81% | 0.808 | S | S | * | * | trans | -117.8 | 167 | -176 | 42.2 | -33.9 | 0 | 0 | 0 | 118.3 | ||||
| 1461 | N | 28.5 | Very low | 28.5 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 36.5 | 125.4 | 149.4 | -61.4 | 1 | 0 | 0 | 0 | 124.3 | ||||
| 1462 | S | 29.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | -178.5 | 172.3 | 121.1 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1463 | E | 26.7 | Very low | 28.4 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | -173.4 | 147.3 | -59.6 | -156.8 | 176 | -145.4 | 0 | 0 | 107.2 | |||||
| 1464 | S | 26.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 71.8 | 143.2 | 158.8 | 79.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1465 | G | 27.1 | Very low | 28 | Very low | 86 Ų | 86 | 147 Ų | 147 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 79.2 | 139.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1466 | G | 28.5 | Very low | 27.6 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -178.5 | 166.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1467 | D | 27.1 | Very low | 27.5 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -70.4 | 146.8 | -173.9 | -56 | -89.8 | 0 | 0 | 0 | 115.6 | ||||
| 1468 | L | 26.2 | Very low | 27.2 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | -177.9 | 157.5 | 114.2 | -120.3 | 68.7 | 0 | 0 | 0 | 114.8 | |||||
| 1469 | H | 27.2 | Very low | 27.1 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -0.9 | 150 | 149.4 | -68.1 | -34.4 | 0 | 0 | 0 | 121 | ||||
| 1470 | R | 25.8 | Very low | 26.6 | Very low | 217 Ų | 217 | 146 Ų | 146 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | cis | -163 | 161.1 | 15.7 | -120.5 | 172.5 | -155.6 | -169.8 | 7 | 110 | ||||
| 1471 | P | 28.7 | Very low | 26.2 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -85.1 | 166.4 | 172.7 | 36.4 | -35.8 | 0 | 0 | 0 | 113.2 | ||||
| 1472 | L | 27.1 | Very low | 26.2 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -148.8 | 128.8 | 171.8 | -119.2 | 161.7 | 0 | 0 | 0 | 111.4 | ||||
| 1473 | E | 24.3 | Very low | 26 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -93.4 | 153.7 | 175.9 | -55.8 | 173.2 | 106.5 | 0 | 0 | 111.8 | ||||
| 1474 | L | 28.5 | Very low | 26 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -165.8 | 102.5 | 148.4 | -94.8 | 135.1 | 0 | 0 | 0 | 106.9 | ||||
| 1475 | K | 23.5 | Very low | 26 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 68% | 0.683 | 78% | 0.777 | S | S | * | * | 71.4 | 118.2 | 78.8 | -86.6 | -179.8 | 159.2 | -84.9 | 0 | 115.1 | |||||
| 1476 | E | 26 | Very low | 25.9 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | trans | 55.5 | 133.7 | 133.7 | -69.2 | 170.6 | 124.3 | 0 | 0 | 118.8 | ||||
| 1477 | H | 26.2 | Very low | 25.8 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | -168.6 | 171 | 34.8 | -108.7 | -16.1 | 0 | 0 | 0 | 110.9 | ||||
| 1478 | Q | 24 | Very low | 26 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | trans | 45.2 | 123.2 | 139.5 | -58.9 | -91.8 | -1.9 | 0 | 0 | 118.8 | ||||
| 1479 | L | 24 | Very low | 26.4 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | -171.1 | 157.4 | 52.2 | -94.5 | 121.4 | 0 | 0 | 0 | 113.4 | |||||
| 1480 | R | 22.7 | Very low | 26.5 | Very low | 225 Ų | 225 | 149.2 Ų | 149.2 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | trans | 45.1 | 131 | 146.5 | -72.6 | 175 | -174.3 | -174.2 | 1.6 | 122.9 | ||||
| 1481 | F | 22.8 | Very low | 26.5 | Very low | 207 Ų | 207 | 143 Ų | 143 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -61.3 | 136.6 | 156.5 | -60.7 | -103.1 | 0 | 0 | 0 | 113.3 | ||||
| 1482 | V | 28.3 | Very low | 26.5 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -142.7 | 152.5 | 138.3 | -177.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1483 | S | 25.7 | Very low | 26.5 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -106.9 | -175.1 | -172.3 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1484 | D | 26.2 | Very low | 26.7 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 89.2 | 93 | 157.8 | -50.3 | -8.4 | 0 | 0 | 0 | 119.1 | ||||
| 1485 | D | 26 | Very low | 26.5 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 66.2 | 133.8 | 124.9 | -78.5 | -6.7 | 0 | 0 | 0 | 125.7 | |||||
| 1486 | S | 25.6 | Very low | 26.4 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 68.8 | 131 | 157 | 75.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1487 | S | 25.3 | Very low | 26.3 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | cis | -167 | 163.8 | 43.5 | 37.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1488 | L | 31.8 | Very low | 26.1 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -73.1 | -178.6 | 165.8 | -102 | 77.7 | 0 | 0 | 0 | 111.6 | ||||
| 1489 | P | 35.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | cis | -140.9 | -175.1 | 9.8 | 33.9 | -10.9 | 0 | 0 | 0 | 117.4 | ||||
| 1490 | S | 28.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | 111.4 | 134.6 | 128 | 76.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1491 | G | 26 | Very low | 26.4 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 97.7 | 91.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1492 | G | 29.8 | Very low | 26.5 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 178.6 | 101.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1493 | T | 25.8 | Very low | 26.3 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -104.3 | 126.2 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1494 | Y | 28.4 | Very low | 26.2 | Very low | 234 Ų | 234 | 135.6 Ų | 135.6 | 92% | 0.918 | 83% | 0.828 | S | S | * | * | trans | -146.2 | 154.4 | 159.5 | -92.7 | -74.5 | 0 | 0 | 0 | 111.3 | ||||
| 1495 | L | 23.7 | Very low | 26.1 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -88.7 | 141 | -176.3 | -56.9 | 86.9 | 0 | 0 | 0 | 111.5 | ||||
| 1496 | S | 23.2 | Very low | 26.1 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | 170.1 | 135.1 | 114 | 46 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1497 | N | 22.8 | Very low | 26 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 83% | 0.832 | S | S | * | * | trans | 23.8 | 123.8 | 154.2 | -62.2 | -6.1 | 0 | 0 | 0 | 122.9 | ||||
| 1498 | C | 23.2 | Very low | 26.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 81.3 | 146.8 | 148.1 | -61.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1499 | Y | 23.2 | Very low | 25.7 | Very low | 237 Ų | 237 | 131.5 Ų | 131.5 | 93% | 0.929 | 81% | 0.805 | S | S | * | * | trans | 66.8 | 96.9 | 178.1 | -70.7 | -85 | 0 | 0 | 0 | 118.8 | ||||
| 1500 | S | 25 | Very low | 25.2 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -146.9 | 152.9 | 137.4 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1501 | P | 27.3 | Very low | 25 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -103.2 | 153.6 | -166.5 | 38.1 | -33.2 | 0 | 0 | 0 | 114 | ||||
| 1502 | L | 25.9 | Very low | 25 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -131.4 | 141 | 174 | -91.1 | 164.5 | 0 | 0 | 0 | 112.8 | ||||
| 1503 | S | 23.8 | Very low | 24.7 | Very low | 128 Ų | 128 | 142 Ų | 142 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -70 | 147.8 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1504 | G | 24.1 | Very low | 24.6 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 179.9 | 88 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1505 | A | 23.7 | Very low | 24.4 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | 36.7 | 124.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1506 | Y | 25.7 | Very low | 24.6 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | 53.7 | 112.7 | 149 | -74.3 | -94.3 | 0 | 0 | 0 | 119.9 | E1508 | Y1506-E1508 PolarHBondContact O-N 3.25Š| ||
| 1507 | A | 24.2 | Very low | 24.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 94% | 0.942 | 76% | 0.764 | S | S | * | * | trans | -77.9 | 84.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1508 | E | 26.3 | Very low | 25 | Very low | 99 Ų | 99 | 135 Ų | 135 | 46% | 0.463 | 77% | 0.766 | S | S | . | * | trans | -97.1 | 143.9 | 164.3 | -78.4 | 178.5 | 128.2 | 0 | 0 | 111.8 | K217 Y1506 R1510 | K217-E1508 WeakPolarHBondContact CD-OE1 3.35Å; K217-E1508 WeakPolarHBondContact CE-OE1 3.35Å; K217-E1508 IonicContact NZ-OE1 3.3Å; K217-E1508 PolarHBondContact NZ-OE1 2.88Å; K217-E1508 IonicContact NZ-OE2 2.78Å; K217-E1508 PolarHBondContact NZ-OE2 2.93Å; Y1506-E1508 PolarHBondContact O-N 3.25Å; E1508-R1510 PolarHBondContact O-N 3.34Å | ||
| 1509 | T | 23.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 135 Ų | 135 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -70.1 | 92.4 | -175.8 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | S1327 Y1511 | S1327-T1509 VanDerWaalsContact OG-CG2 3.32Å; S1327-T1509 WeakPolarHBondContact OG-CG2 3.5Å; T1509-Y1511 PolarHBondContact O-N 3.4Å | ||
| 1510 | R | 25.2 | Very low | 25.3 | Very low | 228 Ų | 228 | 131.4 Ų | 131.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -80.8 | 115.5 | 170.1 | -68.6 | -167.9 | -177.3 | -165.1 | 2.5 | 111.2 | E1508 I1512 | E1508-R1510 PolarHBondContact O-N 3.34Å; R1510-I1512 PolarHBondContact O-N 3.19Å | ||
| 1511 | Y | 24.4 | Very low | 25.4 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 60% | 0.596 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 123.3 | 161 | -81.4 | -141.6 | 0 | 0 | 0 | 108.4 | C1328 S1329 T1509 | C1328-Y1511 PolarHBondContact O-OH 2.86Å; C1328-Y1511 VanDerWaalsContact O-OH 3.14Å; S1329-Y1511 VanDerWaalsContact CB-CE1 3.44Å; T1509-Y1511 PolarHBondContact O-N 3.4Å | ||
| 1512 | I | 25.2 | Very low | 25.2 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -107.6 | 101.7 | 170.1 | -59 | 179.7 | 0 | 0 | 0 | 108 | R1510 C1514 | R1510-I1512 PolarHBondContact O-N 3.19Å; I1512-C1514 PolarHBondContact O-N 3.37Å; I1512-C1514 VanDerWaalsContact O-N 3.09Å | ||
| 1513 | S | 23 | Very low | 25.1 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | trans | -79.5 | 81.7 | 172.1 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | T1515 | S1513-T1515 PolarHBondContact O-N 2.82Š| ||
| 1514 | C | 24.8 | Very low | 25.3 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -70.3 | 93.7 | 171.1 | -77.6 | 0 | 0 | 0 | 0 | 110.8 | I1512 I1516 | I1512-C1514 PolarHBondContact O-N 3.37Å; I1512-C1514 VanDerWaalsContact O-N 3.09Å; C1514-I1516 PolarHBondContact O-N 2.91Å; C1514-I1516 VanDerWaalsContact O-N 3.11Å | ||
| 1515 | T | 24.9 | Very low | 25.3 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | -68.8 | 100.1 | 164.5 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | S1513 | S1513-T1515 PolarHBondContact O-N 2.82Š| ||
| 1516 | I | 26.7 | Very low | 25.4 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 125.8 | 173.9 | -59.7 | 175.3 | 0 | 0 | 0 | 108.6 | C1514 | C1514-I1516 PolarHBondContact O-N 2.91Å; C1514-I1516 VanDerWaalsContact O-N 3.11Å |
| 1517 | P | 28.2 | Very low | 25.3 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.6 | 175.3 | 30.7 | -34 | 0 | 0 | 0 | 111.7 | ||
| 1518 | N | 26.4 | Very low | 25.4 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.8 | -178.2 | -69.4 | -32.1 | 0 | 0 | 0 | 113.4 | ||
| 1519 | S | 27.1 | Very low | 25.3 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -161.9 | 143.6 | 132.5 | 39.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1520 | N | 25.3 | Very low | 25.3 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -85.7 | 117.9 | -169 | -64.9 | -31.6 | 0 | 0 | 0 | 112.6 | ||||
| 1521 | I | 27 | Very low | 25.4 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -137.7 | 116.2 | 141.1 | -56.5 | -176.7 | 0 | 0 | 0 | 107 | F1523 | I1521-F1523 HydrophobicContact CG2-CD2 3.93Å; I1521-F1523 HydrophobicContact CG2-CE2 3.74Å | ||
| 1522 | G | 23.6 | Very low | 25.4 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -92 | 140.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1523 | F | 24.9 | Very low | 25.5 | Very low | 180 Ų | 180 | 124 Ų | 124 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | trans | -133.6 | 129.3 | 172.1 | -95.4 | -93.4 | 0 | 0 | 0 | 111.7 | I1521 | I1521-F1523 HydrophobicContact CG2-CD2 3.93Å; I1521-F1523 HydrophobicContact CG2-CE2 3.74Å | ||
| 1524 | H | 26.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | 41.7 | 94.2 | 161.6 | -77.9 | -96.1 | 0 | 0 | 0 | 119.4 | V1526 | H1524-V1526 HydrophobicContact CB-CG2 4.47Å; H1524-V1526 PolarHBondContact O-N 3.3Å | ||
| 1525 | K | 24.7 | Very low | 25.9 | Very low | 217 Ų | 217 | 127.6 Ų | 127.6 | 94% | 0.943 | 74% | 0.738 | S | S | * | * | trans | -72.6 | 107.5 | 152.2 | -175.9 | -176.5 | -176.2 | -176.1 | 0 | 109.4 | ||||
| 1526 | V | 24.7 | Very low | 26 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | trans | -129.5 | 134.9 | 163.6 | -174.2 | 0 | 0 | 0 | 0 | 103.9 | H1524 | H1524-V1526 HydrophobicContact CB-CG2 4.47Å; H1524-V1526 PolarHBondContact O-N 3.3Å | ||
| 1527 | G | 25.2 | Very low | 26 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | cis | 112 | 126.5 | 30.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1528 | S | 24.6 | Very low | 25.9 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 50% | 0.503 | 75% | 0.754 | S | S | . | * | cis | -136.7 | 138.2 | 9.5 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | Y788 | Y788-S1528 WeakPolarHBondContact OH-CB 3.42Å; Y788-S1528 PolarHBondContact OH-OG 2.94Å | ||
| 1529 | C | 25.3 | Very low | 25.9 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | -133.5 | 112.5 | 153.2 | -168 | 0 | 0 | 0 | 0 | 105.6 | V1531 | C1529-V1531 PolarHBondContact O-N 2.83Š| ||
| 1530 | F | 22.9 | Very low | 25.7 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 54% | 0.544 | 75% | 0.749 | S | S | . | * | trans | -82 | 87 | -169.6 | -97.3 | -122.6 | 0 | 0 | 0 | 110.8 | Y788 | Y788-F1530 HydrophobicContact CD1-CB 4.33Å; Y788-F1530 AromaticContact CD1-CD1 3.62Å; Y788-F1530 HydrophobicContact CD1-CD1 3.62Å; Y788-F1530 AromaticContact CD1-CD2 3.91Å; Y788-F1530 HydrophobicContact CD1-CD2 3.91Å; Y788-F1530 AromaticContact CD1-CE1 3.81Å; Y788-F1530 HydrophobicContact CD1-CE1 3.81Å; Y788-F1530 HydrophobicContact CD1-CE2 4.09Å; Y788-F1530 AromaticContact CD1-CG 3.68Å; Y788-F1530 HydrophobicContact CD1-CG 3.68Å; Y788-F1530 HydrophobicContact CD1-CZ 4.04Å; Y788-F1530 HydrophobicContact CD2-CD2 4.19Å; Y788-F1530 AromaticContact CD2-CE1 3.99Å; Y788-F1530 HydrophobicContact CD2-CE1 3.99Å; Y788-F1530 AromaticContact CD2-CE2 3.58Å; Y788-F1530 HydrophobicContact CD2-CE2 3.58Å; Y788-F1530 AromaticContact CD2-CZ 3.47Å; Y788-F1530 HydrophobicContact CD2-CZ 3.47Å; Y788-F1530 VanDerWaalsContact CD2-CZ 3.47Å; Y788-F1530 HydrophobicContact CE1-CB 3.94Å; Y788-F1530 AromaticContact CE1-CD1 3.97Å; Y788-F1530 HydrophobicContact CE1-CD1 3.97Å; Y788-F1530 AromaticContact CE1-CD2 3.45Å; Y788-F1530 HydrophobicContact CE1-CD2 3.45Å; Y788-F1530 VanDerWaalsContact CE1-CD2 3.45Å; Y788-F1530 HydrophobicContact CE1-CE1 4.36Å; Y788-F1530 AromaticContact CE1-CE2 3.89Å; Y788-F1530 HydrophobicContact CE1-CE2 3.89Å; Y788-F1530 AromaticContact CE1-CG 3.5Å; Y788-F1530 HydrophobicContact CE1-CG 3.5Å; Y788-F1530 VanDerWaalsContact CE1-CG 3.5Å; Y788-F1530 HydrophobicContact CE1-CZ 4.32Å; Y788-F1530 AromaticContact CE2-CD2 3.74Å; Y788-F1530 HydrophobicContact CE2-CD2 3.74Å; Y788-F1530 HydrophobicContact CE2-CE1 4.5Å; Y788-F1530 AromaticContact CE2-CE2 3.33Å; Y788-F1530 HydrophobicContact CE2-CE2 3.33Å; Y788-F1530 HydrophobicContact CE2-CG 4.48Å; Y788-F1530 AromaticContact CE2-CZ 3.77Å; Y788-F1530 HydrophobicContact CE2-CZ 3.77Å; Y788-F1530 AromaticContact CG-CD1 3.95Å; Y788-F1530 HydrophobicContact CG-CD1 3.95Å; Y788-F1530 HydrophobicContact CG-CD2 4.27Å; Y788-F1530 AromaticContact CG-CE1 3.62Å; Y788-F1530 HydrophobicContact CG-CE1 3.62Å; Y788-F1530 AromaticContact CG-CE2 3.96Å; Y788-F1530 HydrophobicContact CG-CE2 3.96Å; Y788-F1530 HydrophobicContact CG-CG 4.27Å; Y788-F1530 AromaticContact CG-CZ 3.62Å; Y788-F1530 HydrophobicContact CG-CZ 3.62Å; Y788-F1530 AromaticContact CZ-CD2 3.34Å; Y788-F1530 AromaticContact CZ-CE2 3.5Å; Y788-F1530 VanDerWaalsContact CZ-CE2 3.5Å; Y788-F1530 AromaticContact CZ-CG 3.93Å | ||
| 1531 | V | 27.5 | Very low | 25.7 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -104.4 | 92.3 | 166.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | C1529 | C1529-V1531 PolarHBondContact O-N 2.83Š| ||
| 1532 | N | 24.2 | Very low | 25.6 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 46% | 0.455 | 74% | 0.736 | S | S | . | * | trans | -72 | 151.3 | 165.6 | -165.3 | 4.4 | 0 | 0 | 0 | 109.4 | S1139 S1140 | S1139-N1532 VanDerWaalsContact C-ND2 3.31Å; S1139-N1532 PolarHBondContact O-ND2 2.86Å; S1140-N1532 PolarHBondContact N-ND2 2.88Å; S1140-N1532 PolarHBondContact O-ND2 3.45Å | ||
| 1533 | S | 26.9 | Very low | 25.6 | Very low | 88 Ų | 88 | 131 Ų | 131 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 131.1 | -175.5 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1534 | Q | 26.8 | Very low | 25.8 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | -177.4 | 155.2 | 113.7 | -95.1 | 162 | 33.2 | 0 | 0 | 111.4 | |||||
| 1535 | A | 30.4 | Very low | 25.6 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | 56.5 | 86.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1536 | N | 26.5 | Very low | 25.6 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | 21.6 | 100 | 133.7 | -55.7 | -2.2 | 0 | 0 | 0 | 118.5 | ||||
| 1537 | N | 27.6 | Very low | 25.6 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | -178.6 | 98.2 | 129.5 | -92.6 | -20.2 | 0 | 0 | 0 | 110.5 | I1539 | N1537-I1539 PolarHBondContact O-N 2.93Š| |||
| 1538 | C | 25 | Very low | 25.4 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 90% | 0.899 | 73% | 0.734 | S | S | * | * | trans | -81.3 | 107.1 | 169.6 | -67.6 | 0 | 0 | 0 | 0 | 109.5 | E1540 | C1538-E1540 PolarHBondContact O-N 2.62Š| ||
| 1539 | I | 26.2 | Very low | 25.4 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | -86.2 | 106.9 | 173.4 | -58.8 | 178.7 | 0 | 0 | 0 | 108.5 | N1537 L1541 | N1537-I1539 PolarHBondContact O-N 2.93Å; I1539-L1541 VanDerWaalsContact C-N 3.27Å; I1539-L1541 HydrophobicContact CG2-CD1 3.93Å; I1539-L1541 HydrophobicContact CG2-CG 3.85Å; I1539-L1541 PolarHBondContact O-N 3.32Å | ||
| 1540 | E | 23.3 | Very low | 25.3 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | -72.8 | 78 | 172.7 | -67.4 | -168 | 139.6 | 0 | 0 | 111.1 | C1538 S1542 | C1538-E1540 PolarHBondContact O-N 2.62Å; E1540-S1542 PolarHBondContact O-N 2.84Å | ||
| 1541 | L | 25.2 | Very low | 25.4 | Very low | 144 Ų | 144 | 140 Ų | 140 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -79 | 84.5 | 175.2 | -98.2 | 161.3 | 0 | 0 | 0 | 111.6 | I1539 | I1539-L1541 VanDerWaalsContact C-N 3.27Å; I1539-L1541 HydrophobicContact CG2-CD1 3.93Å; I1539-L1541 HydrophobicContact CG2-CG 3.85Å; I1539-L1541 PolarHBondContact O-N 3.32Å | ||
| 1542 | S | 24.6 | Very low | 25.2 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | 25.7 | 114.4 | 145.4 | 61.5 | 0 | 0 | 0 | 0 | 118.1 | E1540 P1544 | E1540-S1542 PolarHBondContact O-N 2.84Å; S1542-P1544 VanDerWaalsContact O-CD 3.31Å; S1542-P1544 WeakPolarHBondContact O-CD 3.17Å | ||
| 1543 | S | 24.4 | Very low | 25.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 116.7 | 152.1 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1544 | P | 28.8 | Very low | 25.4 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | trans | -85.5 | 131 | -179.7 | 33.3 | -32.7 | 0 | 0 | 0 | 111.1 | S1542 Y1546 | S1542-P1544 VanDerWaalsContact O-CD 3.31Å; S1542-P1544 WeakPolarHBondContact O-CD 3.17Å; P1544-Y1546 VanDerWaalsContact C-N 3.32Å; P1544-Y1546 HydrophobicContact CB-CD2 3.96Å; P1544-Y1546 HydrophobicContact CB-CE2 4Å; P1544-Y1546 HydrophobicContact CG-CD2 4.25Å; P1544-Y1546 HydrophobicContact CG-CE2 4.47Å; P1544-Y1546 PolarHBondContact O-N 2.9Å | ||
| 1545 | C | 22.8 | Very low | 25.4 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 92% | 0.919 | 77% | 0.765 | S | S | * | * | trans | -73.1 | 82.2 | 171.1 | -70.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1546 | Y | 25.1 | Very low | 25.3 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 74% | 0.737 | 76% | 0.761 | S | S | * | * | trans | -100.4 | 134.7 | 148.4 | -63.4 | -92.7 | 0 | 0 | 0 | 106 | P1544 | P1544-Y1546 VanDerWaalsContact C-N 3.32Å; P1544-Y1546 HydrophobicContact CB-CD2 3.96Å; P1544-Y1546 HydrophobicContact CB-CE2 4Å; P1544-Y1546 HydrophobicContact CG-CD2 4.25Å; P1544-Y1546 HydrophobicContact CG-CE2 4.47Å; P1544-Y1546 PolarHBondContact O-N 2.9Å | ||
| 1547 | I | 23.6 | Very low | 25.4 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | cis | -113.7 | 127.7 | 48.7 | -57.5 | 170.7 | 0 | 0 | 0 | 112.5 | ||||
| 1548 | K | 22.2 | Very low | 25.3 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -140 | 131.4 | 153.6 | -144.7 | -177.2 | -173 | -174.6 | 0 | 107.5 | ||
| 1549 | Q | 23.6 | Very low | 25.3 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | 54.4 | 88.4 | 172.2 | -63.1 | 168.3 | -82.5 | 0 | 0 | 116.2 | ||||
| 1550 | Y | 24.2 | Very low | 25.3 | Very low | 223 Ų | 223 | 131.8 Ų | 131.8 | 88% | 0.875 | 70% | 0.696 | S | S | * | * | trans | -108.5 | 90 | 138 | -84.9 | -78.7 | 0 | 0 | 0 | 108.3 | ||||
| 1551 | L | 24.3 | Very low | 25.4 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 71% | 0.712 | 68% | 0.681 | S | S | * | * | trans | -70.7 | 133.1 | 152.2 | -81.2 | 148.9 | 0 | 0 | 0 | 106.4 | P1553 | L1551-P1553 VanDerWaalsContact O-CD 3.27Å; L1551-P1553 WeakPolarHBondContact O-CD 3.49Å | ||
| 1552 | S | 23 | Very low | 25.5 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | trans | -81.2 | 121.4 | 155.8 | 97.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1553 | P | 27.2 | Very low | 25.6 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 62% | 0.623 | 68% | 0.677 | S | S | * | * | trans | -143.5 | 121.3 | 141.2 | 34.5 | -19.5 | 0 | 0 | 0 | 111.7 | L1551 | L1551-P1553 VanDerWaalsContact O-CD 3.27Å; L1551-P1553 WeakPolarHBondContact O-CD 3.49Å | ||
| 1554 | T | 28.7 | Very low | 25.7 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | 168 | 112.9 | 117.4 | 33.3 | 0 | 0 | 0 | 0 | 109.8 | Q1556 | T1554-Q1556 HydrophobicContact CG2-CG 4.38Š| |||
| 1555 | D | 27 | Very low | 25.5 | Very low | 173 Ų | 173 | 134 Ų | 134 | 93% | 0.925 | 68% | 0.684 | S | S | * | * | trans | -74.3 | 130.5 | 132.5 | -106.6 | -44.1 | 0 | 0 | 0 | 106.7 | ||||
| 1556 | Q | 28 | Very low | 25.7 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | trans | -100.1 | 124.9 | 175.3 | -69.2 | -170.2 | 0.8 | 0 | 0 | 109.6 | T1554 | T1554-Q1556 HydrophobicContact CG2-CG 4.38Š| ||
| 1557 | N | 27.7 | Very low | 25.7 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -174.1 | 137.8 | 142.2 | -87.5 | -21.1 | 0 | 0 | 0 | 108.7 | ||||
| 1558 | I | 26.3 | Very low | 25.7 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 40% | 0.4 | 66% | 0.657 | S | S | . | * | cis | -161.3 | 177.2 | -8.1 | -124.8 | 168.8 | 0 | 0 | 0 | 109.9 | K1120 | K1120-I1558 VanDerWaalsContact C-CG1 3.48Å; K1120-I1558 WeakPolarHBondContact O-CG1 3.26Å; K1120-I1558 WeakPolarHBondContact O-CG2 3.27Å | ||
| 1559 | T | 26.1 | Very low | 25.9 | Very low | 60 Ų | 60 | 122.2 Ų | 122.2 | 37% | 0.368 | 65% | 0.648 | S | S | . | * | trans | -79.8 | 172.4 | -165.3 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | K1120 N1121 K1122 | K1120-T1559 PolarHBondContact O-N 2.87Å; K1120-T1559 PolarHBondContact O-OG1 2.87Å; N1121-T1559 PolarHBondContact O-OG1 3.01Å; K1122-T1559 WeakPolarHBondContact O-CG2 3.25Å | ||
| 1560 | E | 25.9 | Very low | 26.1 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 38% | 0.383 | 64% | 0.644 | S | S | . | * | -161.6 | 147.4 | 62.6 | -80.4 | -164.1 | 110.1 | 0 | 0 | 115.1 | K1120 | K1120-E1560 HydrophobicContact CD-CG 4.06Å; K1120-E1560 VanDerWaalsContact CD-OE1 3.27Å; K1120-E1560 WeakPolarHBondContact CD-OE1 3.31Å; K1120-E1560 WeakPolarHBondContact CD-OE2 3.37Å; K1120-E1560 WeakPolarHBondContact CE-OE1 3.01Å; K1120-E1560 IonicContact NZ-OE1 3.89Å; K1120-E1560 PolarHBondContact NZ-OE1 2.86Å; K1120-E1560 IonicContact NZ-OE2 3.09Å; K1120-E1560 PolarHBondContact NZ-OE2 2.85Å | |||
| 1561 | F | 25.6 | Very low | 26.7 | Very low | 125 Ų | 125 | 113 Ų | 113 | 55% | 0.548 | 63% | 0.634 | S | S | . | * | trans | 33.9 | 156.9 | 135.6 | -57.9 | -55.5 | 0 | 0 | 0 | 122.9 | H1869 | F1561-H1869 PolarHBondContact O-CD2 3.02Å; F1561-H1869 VanDerWaalsContact O-CD2 3.24Å | ||
| 1562 | H | 26.9 | Very low | 27 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | cis | -171.6 | 171.1 | -0.4 | -107.8 | -33.7 | 0 | 0 | 0 | 106.3 | ||||
| 1563 | D | 26.3 | Very low | 27.2 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | cis | -168.3 | -168.5 | -38 | -135.7 | 107.3 | 0 | 0 | 0 | 111.1 | ||||
| 1564 | T | 26.2 | Very low | 27.1 | Very low | 122 Ų | 122 | 118 Ų | 118 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | 71.5 | 136.5 | 171.8 | 59.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1565 | M | 24.2 | Very low | 26.9 | Very low | 171 Ų | 171 | 117.3 Ų | 117.3 | 84% | 0.842 | 65% | 0.648 | S | S | * | * | cis | 85.2 | 126.5 | 29.4 | -169.4 | 177.6 | -174.6 | 0 | 0 | 112.5 | ||||
| 1566 | C | 27.9 | Very low | 26.8 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | cis | -163.7 | -159.5 | -7.8 | -122.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1567 | M | 24.1 | Very low | 26.6 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | trans | 109.4 | 121.7 | 158.3 | -56.1 | -57.8 | -90.2 | 0 | 0 | 115.4 | N1359 | N1359-M1567 WeakPolarHBondContact O-CE 3.31Š| ||
| 1568 | V | 25.3 | Very low | 26.5 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | cis | 84.7 | 127.8 | 48.3 | 166 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1569 | S | 25 | Very low | 26.5 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 52% | 0.517 | 67% | 0.665 | S | S | . | * | cis | -179.9 | 176.4 | -4.8 | 57 | 0 | 0 | 0 | 0 | 112.8 | S1358 | S1358-S1569 VanDerWaalsContact CA-OG 3.32Å; S1358-S1569 WeakPolarHBondContact CA-OG 3.37Å; S1358-S1569 WeakPolarHBondContact CB-OG 3.48Å | ||
| 1570 | A | 27.9 | Very low | 26.5 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 63% | 0.628 | 68% | 0.683 | S | S | * | * | trans | 105.8 | 153.6 | 131.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1571 | P | 37.9 | Very low | 26.8 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | trans | -131.8 | 177.1 | -164.8 | 44.1 | -27.1 | 0 | 0 | 0 | 116 | ||||
| 1572 | H | 29.1 | Very low | 26.9 | Very low | 191 Ų | 191 | 123.9 Ų | 123.9 | 88% | 0.884 | 71% | 0.712 | S | S | * | * | trans | -158 | 156 | 158.4 | -87.2 | -74.6 | 0 | 0 | 0 | 107.4 | ||||
| 1573 | S | 27.3 | Very low | 26.9 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | cis | -168.9 | 155.7 | -6.4 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1574 | L | 24.9 | Very low | 26.8 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 53.3 | 110.3 | 143.2 | -71.8 | 165.1 | 0 | 0 | 0 | 121.7 | ||||
| 1575 | S | 25.2 | Very low | 26.8 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | 75.5 | 165.2 | 117.3 | 84.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1576 | Q | 24.9 | Very low | 26.8 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | cis | -158.9 | 161 | 0.7 | -142.8 | -178.1 | 33.8 | 0 | 0 | 110.4 | ||||
| 1577 | L | 24.3 | Very low | 26.5 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | trans | 61.7 | 153.3 | 168.7 | -88.1 | 61.4 | 0 | 0 | 0 | 117.6 | ||||
| 1578 | G | 25.4 | Very low | 26.5 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | cis | 157.9 | 143.2 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1579 | N | 26.1 | Very low | 26.4 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | 68.1 | 149.7 | 168.1 | -56.4 | -19.3 | 0 | 0 | 0 | 116.5 | ||||
| 1580 | A | 26.9 | Very low | 26.5 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | cis | -151.5 | 161 | -11.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1581 | F | 30.7 | Very low | 26.3 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 156.5 | 165.3 | -81.1 | -94.9 | 0 | 0 | 0 | 111.3 | ||||
| 1582 | P | 29.1 | Very low | 25.5 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -131.5 | 159.4 | 114.8 | 37.9 | -32.1 | 0 | 0 | 0 | 113.7 | |||||
| 1583 | N | 25.6 | Very low | 25.2 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -72.5 | 132.6 | 164.1 | -72.2 | -27.2 | 0 | 0 | 0 | 109.9 | ||||
| 1584 | T | 25.7 | Very low | 25 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -129.8 | 103.2 | 165.2 | 41.3 | 0 | 0 | 0 | 0 | 110.7 | V1586 | T1584-V1586 PolarHBondContact O-N 3.48Š| ||
| 1585 | S | 25 | Very low | 24.9 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -74.3 | 112.1 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1586 | V | 23.6 | Very low | 25 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -132.6 | 90.3 | 171.5 | -173 | 0 | 0 | 0 | 0 | 106.9 | T1584 | T1584-V1586 PolarHBondContact O-N 3.48Š| ||
| 1587 | I | 23.2 | Very low | 24.9 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 59% | 0.59 | 76% | 0.759 | S | S | * | * | 63.2 | 92.7 | 92.2 | -59.9 | 162.9 | 0 | 0 | 0 | 111 | N1589 | I1587-N1589 HydrophobicContact CG2-CB 3.91Å; I1587-N1589 WeakPolarHBondContact CG2-OD1 3.44Å; I1587-N1589 PolarHBondContact O-N 2.78Å | |||
| 1588 | I | 23.4 | Very low | 25 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -79.1 | 96.7 | 152.3 | -60.6 | 174.9 | 0 | 0 | 0 | 105.3 | P1590 | I1588-P1590 WeakPolarHBondContact O-CD 3.26Š| ||
| 1589 | N | 23.5 | Very low | 25 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -79.7 | 119.6 | 174.9 | -104.3 | -9.7 | 0 | 0 | 0 | 109.5 | I1587 | I1587-N1589 HydrophobicContact CG2-CB 3.91Å; I1587-N1589 WeakPolarHBondContact CG2-OD1 3.44Å; I1587-N1589 PolarHBondContact O-N 2.78Å | ||
| 1590 | P | 27.9 | Very low | 25 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -86.3 | 120.4 | 169.3 | 33 | -29.1 | 0 | 0 | 0 | 110 | I1588 | I1588-P1590 WeakPolarHBondContact O-CD 3.26Š| ||
| 1591 | G | 22.2 | Very low | 25.1 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 164.4 | 118.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1592 | Q | 22.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | 82.2 | 154.4 | 126.6 | -139.8 | 167.8 | 20 | 0 | 0 | 120.8 | |||||
| 1593 | F | 23.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 84.1 | 87.6 | 169.6 | -63.1 | -72 | 0 | 0 | 0 | 121.2 | ||||
| 1594 | D | 22.2 | Very low | 24.8 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 26.2 | 135 | 119 | -65.5 | -77.7 | 0 | 0 | 0 | 123.1 | |||||
| 1595 | S | 22.9 | Very low | 24.9 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 66.4 | 175.3 | 149.5 | -65.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1596 | P | 27.9 | Very low | 25 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | cis | -103.8 | 163.5 | -8.2 | 10.3 | 14.6 | 0 | 0 | 0 | 112.7 | ||||
| 1597 | V | 22.8 | Very low | 25.1 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | 63.8 | 105 | 62.9 | -172.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1598 | R | 25.1 | Very low | 25.3 | Very low | 234 Ų | 234 | 123.9 Ų | 123.9 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | 13.6 | 110.8 | 145.2 | -179.2 | -172.5 | -80 | 178.6 | -5.1 | 118.1 | ||||
| 1599 | G | 27 | Very low | 25.4 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -179.3 | 84.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1600 | K | 26 | Very low | 25.7 | Very low | 173 Ų | 173 | 115.1 Ų | 115.1 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | cis | 72.3 | 117.4 | 48 | -138.2 | -154.1 | -179.1 | -172.1 | 0 | 113 | ||||
| 1601 | N | 27.1 | Very low | 25.6 | Very low | 124 Ų | 124 | 115 Ų | 115 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | trans | 77.6 | 129.5 | 167.9 | -59.9 | 5.3 | 0 | 0 | 0 | 118.4 | ||||
| 1602 | G | 27.1 | Very low | 25.8 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 78% | 0.784 | 65% | 0.649 | S | S | * | * | trans | 156.2 | 33.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1603 | Q | 28.5 | Very low | 26 | Very low | 134 Ų | 134 | 115.3 Ų | 115.3 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | 79.1 | 163.2 | 65.8 | -170.2 | -178.9 | -2.2 | 0 | 0 | 112.1 | |||||
| 1604 | L | 25.3 | Very low | 26.1 | Very low | 116 Ų | 116 | 112.5 Ų | 112.5 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | trans | 84.6 | 101.3 | 168.6 | -48.7 | 173.2 | 0 | 0 | 0 | 113 | ||||
| 1605 | Y | 26.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 110.7 Ų | 110.7 | 48% | 0.478 | 65% | 0.652 | S | S | . | * | cis | -139.8 | 131.8 | -3.1 | -86.3 | -106.5 | 0 | 0 | 0 | 107.9 | L1701 S1702 C1703 | Y1605-L1701 WeakPolarHBondContact CB-O 3.35Å; Y1605-S1702 VanDerWaalsContact CB-CB 3.48Å; Y1605-C1703 HydrophobicContact CD2-CB 4.41Å | ||
| 1606 | S | 26.9 | Very low | 26.7 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | 76.8 | -167.3 | 55.6 | 79.2 | 0 | 0 | 0 | 0 | 113.9 | L1700 L1701 | S1606-L1700 CarbonylContact C-O 3.52Å; S1606-L1700 VanDerWaalsContact C-O 3.29Å; S1606-L1700 CarbonylContact O-C 3.57Å; S1606-L1701 CarbonylContact C-O 3.55Å; S1606-L1701 CarbonylContact O-C 3.52Å; S1606-L1701 WeakPolarHBondContact O-CA 3.15Å; S1606-L1701 PolarHBondContact O-N 3.23Å | |||
| 1607 | D | 26.4 | Very low | 26.8 | Very low | 60 Ų | 60 | 108.7 Ų | 108.7 | 32% | 0.321 | 65% | 0.65 | S | S | . | * | trans | 55 | 100.2 | 165.1 | -47.4 | 6.6 | 0 | 0 | 0 | 127.8 | L1700 L1701 | D1607-L1700 CarbonylContact C-O 3.55Å; D1607-L1700 WeakPolarHBondContact CA-O 3.07Å; D1607-L1700 PolarHBondContact N-O 2.85Å; D1607-L1700 CarbonylContact O-C 3.52Å; D1607-L1701 HydrophobicContact CB-CD2 3.94Å; D1607-L1701 WeakPolarHBondContact CB-O 3.23Å; D1607-L1701 PolarHBondContact N-O 3.34Å; D1607-L1701 WeakPolarHBondContact O-CA 3.28Å; D1607-L1701 WeakPolarHBondContact O-CD1 3.45Å; D1607-L1701 WeakPolarHBondContact O-CD2 3.46Å; D1607-L1701 PolarHBondContact O-N 3.14Å | ||
| 1608 | N | 26.6 | Very low | 27.1 | Very low | 108 Ų | 108 | 110.6 Ų | 110.6 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | 67.8 | 104.5 | 126.8 | -50.3 | -27.6 | 0 | 0 | 0 | 119.2 | L1700 L1701 | N1608-L1700 PolarHBondContact N-O 2.9Å; N1608-L1701 WeakPolarHBondContact O-CD1 3.36Å | |||
| 1609 | S | 26.4 | Very low | 27.3 | Very low | 88 Ų | 88 | 104.5 Ų | 104.5 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | 72.2 | 136.9 | 66.7 | 83 | 0 | 0 | 0 | 0 | 115.4 | L1699 | S1609-L1699 PolarHBondContact N-O 3.18Š| |||
| 1610 | G | 29 | Very low | 27.5 | Very low | 38 Ų | 38 | 105.1 Ų | 105.1 | 39% | 0.392 | 65% | 0.647 | S | S | . | * | trans | -171.3 | 78 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1697 | G1610-K1697 PolarHBondContact O-NZ 3.18Š| ||
| 1611 | N | 26.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 103 Ų | 103 | 66% | 0.658 | 65% | 0.648 | S | S | * | * | trans | -68 | 150.9 | 172.7 | -74 | -8.3 | 0 | 0 | 0 | 110.5 | V1695 | N1611-V1695 HydrophobicContact CB-CG2 4.29Š| ||
| 1612 | G | 27 | Very low | 27.6 | Very low | 58 Ų | 58 | 102.3 Ų | 102.3 | 60% | 0.598 | 65% | 0.653 | S | S | * | * | trans | -178.1 | 74.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1613 | E | 25.2 | Very low | 27.8 | Very low | 184 Ų | 184 | 102.5 Ų | 102.5 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | 23.3 | 122.7 | 142.1 | -63.3 | 177.4 | 153.4 | 0 | 0 | 120.1 | ||||
| 1614 | S | 26 | Very low | 27.7 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | 27.6 | 144.1 | 127.8 | 76.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1615 | S | 28 | Very low | 27.7 | Very low | 97 Ų | 97 | 102.1 Ų | 102.1 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | 178.3 | 162.4 | 54.8 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1616 | S | 28.9 | Very low | 27.6 | Very low | 113 Ų | 113 | 101.4 Ų | 101.4 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | trans | 63.2 | 149.6 | 161.3 | 72.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1617 | G | 30.2 | Very low | 27.5 | Very low | 63 Ų | 63 | 104.6 Ų | 104.6 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | cis | -143 | 144.8 | -12.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1618 | L | 29.7 | Very low | 27.3 | Very low | 168 Ų | 168 | 105.8 Ų | 105.8 | 88% | 0.88 | 72% | 0.722 | S | S | * | * | 64.1 | 132.4 | 56.5 | -63.1 | 170.4 | 0 | 0 | 0 | 111.6 | |||||
| 1619 | S | 28.7 | Very low | 27.3 | Very low | 106 Ų | 106 | 109.2 Ų | 109.2 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | cis | -174.7 | 168.9 | 1.3 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1620 | A | 31.1 | Very low | 27.2 | Very low | 88 Ų | 88 | 108.5 Ų | 108.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 152.6 | 140.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1621 | T | 29.1 | Very low | 27 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -158.1 | 148.7 | -11.4 | 9.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1622 | S | 27.7 | Very low | 26.9 | Very low | 110 Ų | 110 | 109 Ų | 109 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 43.5 | 123 | 147.4 | 64.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1623 | G | 31 | Very low | 26.8 | Very low | 80 Ų | 80 | 111.7 Ų | 111.7 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -163.1 | 93.9 | 159 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1624 | L | 25.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 107.3 Ų | 107.3 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -84.9 | 155.8 | 176.6 | -60 | 84.8 | 0 | 0 | 0 | 110 | ||||
| 1625 | G | 25.3 | Very low | 26.9 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 174.8 | 64.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1626 | S | 24.8 | Very low | 27.3 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 1.1 | 135.1 | 142.3 | 54.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1627 | T | 24.6 | Very low | 27.8 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | 24 | 140.9 | 130.6 | 64.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1628 | A | 23.3 | Very low | 27.8 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | cis | -165.4 | 175 | 46.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1630 | A1628-G1630 PolarHBondContact O-N 2.8Š| ||
| 1629 | I | 25.4 | Very low | 27.7 | Very low | 179 Ų | 179 | 115.5 Ų | 115.5 | 92% | 0.918 | 78% | 0.776 | S | S | * | * | trans | -16.9 | 119.1 | 146.4 | -56.3 | 162.6 | 0 | 0 | 0 | 112.7 | ||||
| 1630 | G | 24.2 | Very low | 27.4 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -158.9 | 100.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1628 | A1628-G1630 PolarHBondContact O-N 2.8Š| ||
| 1631 | S | 24.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -80.1 | 145.1 | 173.4 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1632 | G | 25.7 | Very low | 27 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 117.3 | 119.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1633 | S | 24.5 | Very low | 26.9 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 80.3 | 118.4 | 50 | 78.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1634 | A | 25.3 | Very low | 26.6 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 69.7 | 161.4 | 155 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1635 | K | 28.1 | Very low | 26.6 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | cis | -172.4 | 138.9 | -25.2 | -104.9 | -174.8 | -179.8 | -177.8 | 0 | 108.7 | ||||
| 1636 | Y | 35.9 | Very low | 26.7 | Very low | 209 Ų | 209 | 136 Ų | 136 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | trans | 56.3 | -165 | 153.2 | -75.9 | -77.7 | 0 | 0 | 0 | 114.5 | ||||
| 1637 | P | 39.1 | Very low | 26.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -99.6 | -176.5 | 4.4 | 42.7 | -30.9 | 0 | 0 | 0 | 113.3 | ||||
| 1638 | A | 31.4 | Very low | 27.1 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | cis | -152 | 176.5 | 28.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1639 | C | 26.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -139.6 | 138.9 | 18.6 | -58.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1640 | R | 23.1 | Very low | 27.5 | Very low | 256 Ų | 256 | 133.3 Ų | 133.3 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | trans | -149.2 | 170.2 | 137.6 | -116.9 | 178.9 | -170 | -170.5 | 4 | 111.1 | ||||
| 1641 | R | 24.6 | Very low | 27.7 | Very low | 235 Ų | 235 | 135.5 Ų | 135.5 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 170 | -164.5 | -96.3 | -178.6 | -179.3 | 152.1 | 1 | 115 | ||||
| 1642 | P | 27.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | trans | -72.5 | -173.8 | -175.7 | 34.1 | -40.6 | 0 | 0 | 0 | 113.2 | D1644 | P1642-D1644 PolarHBondContact O-N 2.95Š| ||
| 1643 | D | 25.1 | Very low | 27.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -33.3 | 122 | 171.4 | -47.1 | -90.4 | 0 | 0 | 0 | 114.7 | ||||
| 1644 | D | 24.2 | Very low | 28 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | -165.6 | 113.8 | 117.7 | -107.2 | -26.4 | 0 | 0 | 0 | 111.3 | P1642 | P1642-D1644 PolarHBondContact O-N 2.95Š| |||
| 1645 | I | 25.1 | Very low | 28.3 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | trans | 60.7 | 133 | 135.7 | -62.4 | 172.8 | 0 | 0 | 0 | 120.8 | ||||
| 1646 | H | 28.6 | Very low | 28.3 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | trans | 78.3 | 91.2 | 157.2 | -82.5 | -52.2 | 0 | 0 | 0 | 123.7 | ||||
| 1647 | T | 27.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | 74.1 | 136.2 | 115.8 | 44.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1648 | V | 29.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 125 Ų | 125 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | 94.2 | 99.1 | 134.5 | 165.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1649 | N | 29.1 | Very low | 27.8 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | 52.1 | 117.3 | 128.2 | -48.4 | -15.3 | 0 | 0 | 0 | 123.9 | |||||
| 1650 | G | 28.7 | Very low | 27.9 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | 105.3 | 169.4 | 113.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1651 | L | 27.6 | Very low | 28.2 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | cis | -166.9 | 139.4 | -11.5 | -110.9 | 173.2 | 0 | 0 | 0 | 109.8 | S1179 | S1179-L1651 WeakPolarHBondContact OG-CD2 3.28Š| ||
| 1652 | T | 26 | Very low | 28.4 | Very low | 76 Ų | 76 | 115 Ų | 115 | 47% | 0.466 | 70% | 0.7 | S | S | . | * | trans | 39.9 | 135.9 | 147.5 | 55.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1653 | S | 26.5 | Very low | 28.6 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | 51.1 | 150.5 | 60.9 | 85 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1654 | G | 28.9 | Very low | 28.7 | Very low | 58 Ų | 58 | 117.6 Ų | 117.6 | 60% | 0.598 | 71% | 0.708 | S | S | * | * | cis | -174.9 | 171.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1655 | S | 31.7 | Very low | 29 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | 46.4 | 163 | 133.4 | 69.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1656 | D | 27.9 | Very low | 29 | Very low | 142 Ų | 142 | 117.9 Ų | 117.9 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 72.6 | 152.4 | 149.3 | -55.8 | -39.9 | 0 | 0 | 0 | 121 | ||||
| 1657 | S | 31.4 | Very low | 28.8 | Very low | 87 Ų | 87 | 119.2 Ų | 119.2 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | cis | -168.7 | 154.9 | -32.3 | 59.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1658 | S | 33.2 | Very low | 28.8 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 62.1 | 179.3 | 155 | 83.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1659 | N | 31.4 | Very low | 28.5 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -149.3 | 163.2 | -9.4 | -144.8 | -15.6 | 0 | 0 | 0 | 109.8 | ||||
| 1660 | C | 28.6 | Very low | 28.3 | Very low | 107 Ų | 107 | 121 Ų | 121 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | trans | 65.3 | 154.1 | 160.7 | -68.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 1661 | S | 28.8 | Very low | 28.1 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -164 | 155.9 | -6 | 36 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1662 | N | 29 | Very low | 28.1 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | 49.3 | 127.4 | 148.2 | -53.4 | -12.9 | 0 | 0 | 0 | 121.1 | ||||
| 1663 | V | 32.7 | Very low | 28 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | -147.7 | 140.2 | 123.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1664 | H | 26.8 | Very low | 27.9 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -49.5 | 150.8 | 173.3 | -96.9 | -116.8 | 0 | 0 | 0 | 117.7 | ||||
| 1665 | M | 29.6 | Very low | 27.7 | Very low | 191 Ų | 191 | 133 Ų | 133 | 94% | 0.941 | 73% | 0.725 | S | S | * | * | -154.6 | 168.5 | 108.6 | -131 | 174.8 | -176.8 | 0 | 0 | 112 | |||||
| 1666 | S | 26.4 | Very low | 27.4 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -153.6 | 140.3 | -150.3 | 56.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1667 | M | 24.1 | Very low | 27.2 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 93% | 0.931 | 73% | 0.73 | S | S | * | * | trans | -172.6 | 152.1 | 154.1 | -114.2 | 176.5 | -168.7 | 0 | 0 | 108.3 | ||||
| 1668 | V | 26.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | cis | -139 | 151.2 | 13.2 | -175.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1669 | M | 23.4 | Very low | 26.8 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | 30.2 | 109.2 | 159.1 | -66.9 | -58.2 | -172.7 | 0 | 0 | 119.5 | ||||
| 1670 | H | 25.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 65% | 0.653 | 73% | 0.728 | S | S | * | * | 77.9 | 134.9 | 96.4 | -91.5 | 20.4 | 0 | 0 | 0 | 115.3 | |||||
| 1671 | R | 24.7 | Very low | 26.2 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | cis | -160.2 | 162.4 | -4.5 | -141.4 | 179.4 | 168.8 | 148.2 | -16.9 | 109.9 | ||||
| 1672 | N | 25.8 | Very low | 26.5 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | trans | 11.8 | 139.2 | 139.2 | -66.1 | 37.2 | 0 | 0 | 0 | 117.9 | ||||
| 1673 | N | 24.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 58% | 0.583 | 73% | 0.729 | S | S | * | * | cis | -172.7 | 162.3 | 21.5 | -123.1 | 5.1 | 0 | 0 | 0 | 113.1 | ||||
| 1674 | Q | 24.6 | Very low | 26.4 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | trans | 53.5 | 115.4 | 137.6 | -69 | 166.1 | -29.7 | 0 | 0 | 121.2 | ||||
| 1675 | N | 25.2 | Very low | 26.5 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | 78.1 | 167.3 | 122.9 | -59.5 | -7.1 | 0 | 0 | 0 | 120 | |||||
| 1676 | T | 24.8 | Very low | 26.2 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | 64.5 | 73.3 | 156.9 | 41.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1677 | L | 24.2 | Very low | 26.1 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | 122 | 143.9 | 120.8 | -95.4 | 86.7 | 0 | 0 | 0 | 116.5 | |||||
| 1678 | P | 28.6 | Very low | 26.4 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | trans | -74.1 | 165.9 | 163 | 40.6 | -38.6 | 0 | 0 | 0 | 108.8 | Y1680 | P1678-Y1680 HydrophobicContact CB-CD2 4.26Å; P1678-Y1680 HydrophobicContact CB-CE2 4.44Å; P1678-Y1680 HydrophobicContact CG-CE2 4.41Å | ||
| 1679 | P | 26.6 | Very low | 26.5 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | -155.3 | -176.4 | 61.6 | 44 | -21.9 | 0 | 0 | 0 | 115.6 | |||||
| 1680 | Y | 24.1 | Very low | 26.7 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | cis | -151.6 | 147.9 | -25.7 | -123.6 | -147.8 | 0 | 0 | 0 | 108.5 | P1678 | P1678-Y1680 HydrophobicContact CB-CD2 4.26Å; P1678-Y1680 HydrophobicContact CB-CE2 4.44Å; P1678-Y1680 HydrophobicContact CG-CE2 4.41Å | ||
| 1681 | F | 24 | Very low | 26.6 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 69% | 0.689 | 73% | 0.725 | S | S | * | * | trans | 52.6 | 118.8 | 134.4 | -75.8 | -130.8 | 0 | 0 | 0 | 120.1 | ||||
| 1682 | S | 35.5 | Very low | 26.6 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | trans | -26.6 | 164.1 | 131.8 | 56.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1683 | P | 27.6 | Very low | 26.5 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | -127.3 | 141.3 | 106.7 | 34.7 | -30.7 | 0 | 0 | 0 | 113.4 | |||||
| 1684 | A | 30.1 | Very low | 26.4 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | trans | -85.1 | 163 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1685 | E | 29.7 | Very low | 26.4 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | 69.8 | 164.5 | 163.5 | -56.6 | -167.7 | 104.7 | 0 | 0 | 119 | ||||
| 1686 | Q | 23.5 | Very low | 26.4 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | 70 | 136.5 | -174.9 | -46.7 | -169 | 20.9 | 0 | 0 | 114.6 | ||||
| 1687 | Q | 24.9 | Very low | 26.4 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | cis | -130.5 | 133.4 | 11.9 | -147.1 | 159.5 | 6.6 | 0 | 0 | 113.3 | ||||
| 1688 | R | 29.3 | Very low | 26.4 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | -64.2 | 152.6 | 165.3 | -80.8 | -179.9 | 170.1 | -173 | -0.4 | 110.5 | ||||
| 1689 | Q | 30.1 | Very low | 26.5 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | 63.5 | 133.8 | 151 | -65.3 | 157.8 | -42.3 | 0 | 0 | 114.9 | ||||
| 1690 | Q | 26.3 | Very low | 26.7 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | -159 | 170.5 | 57.5 | -82.2 | -172.7 | -8.6 | 0 | 0 | 113 | |||||
| 1691 | I | 24.3 | Very low | 26.7 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | trans | 58.7 | 84.8 | 161.1 | -59.1 | 145.2 | 0 | 0 | 0 | 113.4 | ||||
| 1692 | A | 23.8 | Very low | 26.7 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | 80.3 | 163.7 | 51.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1693 | Q | 24.6 | Very low | 26.2 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | trans | 71.8 | 87.2 | 177.2 | -60.3 | -174 | -8.2 | 0 | 0 | 118.4 | ||||
| 1694 | S | 22.5 | Very low | 26.2 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | 93.2 | 168.7 | 108.9 | 78.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1695 | V | 24.2 | Very low | 26.1 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 46% | 0.461 | 68% | 0.681 | S | S | . | * | trans | 72.8 | 138.1 | 169.9 | -137.2 | 0 | 0 | 0 | 0 | 118.1 | N1611 | N1611-V1695 HydrophobicContact CB-CG2 4.29Š| ||
| 1696 | S | 25.9 | Very low | 26 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -80.9 | -173.3 | 161.3 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1697 | K | 24 | Very low | 26.3 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | trans | 95.5 | 125.7 | 172.1 | -56.1 | 173.3 | 174.8 | 176.7 | 0 | 117.2 | G1610 | G1610-K1697 PolarHBondContact O-NZ 3.18Š| ||
| 1698 | S | 25.1 | Very low | 26.5 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 57% | 0.573 | 67% | 0.665 | S | S | * | * | trans | 65.4 | 159.1 | 133.6 | 72.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1699 | L | 30.9 | Very low | 26.6 | Very low | 138 Ų | 138 | 113.2 Ų | 113.2 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | cis | 58.1 | 155.5 | 39.7 | -66.1 | 113.1 | 0 | 0 | 0 | 112.5 | S1609 | S1609-L1699 PolarHBondContact N-O 3.18Š| ||
| 1700 | L | 30.2 | Very low | 26.4 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | cis | -131.8 | -135.7 | 5.3 | -144.8 | 170.2 | 0 | 0 | 0 | 108 | S1606 D1607 N1608 | S1606-L1700 CarbonylContact C-O 3.52Å; S1606-L1700 VanDerWaalsContact C-O 3.29Å; S1606-L1700 CarbonylContact O-C 3.57Å; D1607-L1700 CarbonylContact C-O 3.55Å; D1607-L1700 WeakPolarHBondContact CA-O 3.07Å; D1607-L1700 PolarHBondContact N-O 2.85Å; D1607-L1700 CarbonylContact O-C 3.52Å; N1608-L1700 PolarHBondContact N-O 2.9Å | ||
| 1701 | L | 24.9 | Very low | 26.4 | Very low | 81 Ų | 81 | 108.3 Ų | 108.3 | 42% | 0.424 | 66% | 0.658 | S | S | . | * | trans | 107.9 | 71.5 | 143.7 | 101.1 | -70.8 | 0 | 0 | 0 | 121.1 | Y1605 S1606 D1607 N1608 | Y1605-L1701 WeakPolarHBondContact CB-O 3.35Å; S1606-L1701 CarbonylContact C-O 3.55Å; S1606-L1701 CarbonylContact O-C 3.52Å; S1606-L1701 WeakPolarHBondContact O-CA 3.15Å; S1606-L1701 PolarHBondContact O-N 3.23Å; D1607-L1701 HydrophobicContact CB-CD2 3.94Å; D1607-L1701 WeakPolarHBondContact CB-O 3.23Å; D1607-L1701 PolarHBondContact N-O 3.34Å; D1607-L1701 WeakPolarHBondContact O-CA 3.28Å; D1607-L1701 WeakPolarHBondContact O-CD1 3.45Å; D1607-L1701 WeakPolarHBondContact O-CD2 3.46Å; D1607-L1701 PolarHBondContact O-N 3.14Å; N1608-L1701 WeakPolarHBondContact O-CD1 3.36Å | ||
| 1702 | S | 23.5 | Very low | 26.6 | Very low | 44 Ų | 44 | 106.8 Ų | 106.8 | 31% | 0.308 | 66% | 0.66 | S | S | . | * | 165.3 | 163.9 | 102 | -67.9 | 0 | 0 | 0 | 0 | 112.8 | Y1605 | Y1605-S1702 VanDerWaalsContact CB-CB 3.48Š| |||
| 1703 | C | 25.7 | Very low | 26.7 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 58% | 0.581 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 54 | 93.1 | 154.8 | -64.7 | 0 | 0 | 0 | 0 | 116.2 | Y1605 | Y1605-C1703 HydrophobicContact CD2-CB 4.41Š|
| 1704 | N | 25.8 | Very low | 26.8 | Very low | 135 Ų | 135 | 104.2 Ų | 104.2 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | cis | -155.4 | 142.9 | 15.6 | -89.3 | -47.4 | 0 | 0 | 0 | 113.6 | ||||
| 1705 | T | 28 | Very low | 26.9 | Very low | 124 Ų | 124 | 104.8 Ų | 104.8 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | trans | 52.2 | 138.3 | 141.9 | 59.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1706 | S | 28.6 | Very low | 27 | Very low | 98 Ų | 98 | 104.7 Ų | 104.7 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | cis | -175.2 | 173.3 | -6.8 | 45.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1707 | C | 30 | Very low | 26.9 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | trans | 80.1 | 100.9 | 154.9 | -67.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1708 | S | 29.1 | Very low | 27 | Very low | 107 Ų | 107 | 105.9 Ų | 105.9 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | 51.7 | 144.6 | 113.2 | 59.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1709 | S | 30.5 | Very low | 27 | Very low | 98 Ų | 98 | 110.6 Ų | 110.6 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | cis | -173.2 | 130.8 | -0.9 | 45 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1710 | S | 27 | Very low | 26.7 | Very low | 95 Ų | 95 | 111.3 Ų | 111.3 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | 98.3 | 125.5 | 94.4 | 69.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1711 | T | 26.5 | Very low | 26.5 | Very low | 130 Ų | 130 | 109 Ų | 109 | 80% | 0.798 | 70% | 0.701 | S | S | * | * | trans | 40.5 | 129.5 | 137.8 | 61.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1712 | S | 27.1 | Very low | 26.5 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | -157.8 | 150.4 | 70.5 | 47.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1713 | S | 26.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | -93.2 | 127.9 | 165.8 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1714 | S | 26.6 | Very low | 26.5 | Very low | 94 Ų | 94 | 119.5 Ų | 119.5 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -147.1 | 118.6 | 157.4 | 25.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1715 | S | 24.9 | Very low | 26.3 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | 67.3 | 133.2 | 65.9 | 82.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1716 | A | 25 | Very low | 26 | Very low | 74 Ų | 74 | 118.5 Ų | 118.5 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | cis | -165.2 | 178.7 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1717 | N | 25.3 | Very low | 25.7 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | 68.1 | 140.5 | 162 | -53.4 | -33.5 | 0 | 0 | 0 | 115.3 | ||||
| 1718 | S | 25.1 | Very low | 25.3 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | cis | -162.8 | 152.4 | 2.9 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1719 | K | 24.8 | Very low | 25 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | 11.9 | 137.5 | 137 | -62.9 | -179.4 | 176.7 | 179.5 | 0 | 119.9 | ||||
| 1720 | N | 26 | Very low | 24.6 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | 70.5 | 141.7 | 151.3 | -51.4 | -9.6 | 0 | 0 | 0 | 117.3 | ||||
| 1721 | G | 25.5 | Very low | 24.5 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | 151.2 | 152.4 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1722 | I | 25.5 | Very low | 24.6 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | 72 | 87.9 | 151.5 | -58 | 176.1 | 0 | 0 | 0 | 117.7 | ||||
| 1723 | T | 25.7 | Very low | 24.7 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 177.2 | 138.8 | 73.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1724 | K | 22.6 | Very low | 24.6 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | cis | -158.2 | 149.1 | 4 | -148.6 | 169 | 176.2 | -176.1 | 0 | 109.4 | ||||
| 1725 | Q | 21.8 | Very low | 24.5 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 62.1 | 162.6 | 160.8 | -78.4 | 161.3 | -87.6 | 0 | 0 | 115.1 | ||||
| 1726 | S | 22.2 | Very low | 24.5 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | cis | -164.8 | -173.9 | -28.8 | 47.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1727 | E | 21.6 | Very low | 24.6 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 69.7 | 109.3 | 149.5 | -69.8 | -171 | 133.5 | 0 | 0 | 120.5 | ||||
| 1728 | Y | 22.2 | Very low | 24.7 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | 77.6 | 161.2 | 126.9 | -85.7 | -79.8 | 0 | 0 | 0 | 122 | |||||
| 1729 | Y | 23 | Very low | 24.9 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | trans | 47.9 | 101.8 | 165.3 | -56.1 | -57.8 | 0 | 0 | 0 | 116.9 | ||||
| 1730 | S | 22.2 | Very low | 25.1 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | 60.1 | 113.9 | 70.6 | 84.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1731 | S | 23.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | trans | -160.9 | 120.8 | 156.9 | 39.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1732 | H | 29.3 | Very low | 25.4 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -57.7 | 164.4 | 144.6 | -77 | -62.3 | 0 | 0 | 0 | 109.3 | ||||
| 1733 | P | 30 | Very low | 25.6 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 70% | 0.695 | S | S | * | * | cis | -152.9 | -175.2 | 35.9 | 40 | -16.6 | 0 | 0 | 0 | 118.8 | ||||
| 1734 | S | 23.8 | Very low | 25.7 | Very low | 84 Ų | 84 | 130 Ų | 130 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | trans | 67.1 | 123.6 | 137.6 | 67.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1735 | N | 24.9 | Very low | 25.8 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | 67.3 | 140.5 | 124.5 | -63.5 | 18.7 | 0 | 0 | 0 | 118.6 | |||||
| 1736 | N | 25.5 | Very low | 26 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | cis | -149.7 | 148.8 | 15.1 | -120.8 | 2.5 | 0 | 0 | 0 | 110.1 | ||||
| 1737 | N | 27 | Very low | 26.1 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | 57.3 | 131.6 | 138.3 | -61.4 | 4.8 | 0 | 0 | 0 | 119 | ||||
| 1738 | N | 27.5 | Very low | 26.2 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | cis | -159.8 | 153.7 | 23.6 | -117.7 | 4 | 0 | 0 | 0 | 113.6 | ||||
| 1739 | N | 28.5 | Very low | 26.3 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | 74.6 | 113.5 | 144.3 | -61.8 | 3.6 | 0 | 0 | 0 | 121.2 | ||||
| 1740 | N | 28.4 | Very low | 26.4 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | 65.7 | 133.2 | 116.3 | -64.7 | 31.9 | 0 | 0 | 0 | 119.8 | |||||
| 1741 | D | 30.6 | Very low | 26.6 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 47% | 0.465 | 73% | 0.728 | S | S | . | * | cis | -154.4 | 137.6 | 9.7 | -89.4 | -41 | 0 | 0 | 0 | 112.5 | ||||
| 1742 | N | 28.8 | Very low | 26.6 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | trans | 45.2 | 147.2 | 131.1 | -42.6 | -38.3 | 0 | 0 | 0 | 123.7 | ||||
| 1743 | N | 28.1 | Very low | 26.4 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | trans | 75.7 | 146.8 | 161.8 | -56.7 | -16.7 | 0 | 0 | 0 | 117.1 | ||||
| 1744 | A | 27.8 | Very low | 26.1 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | cis | -160.6 | 172.1 | -17.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1745 | D | 25.2 | Very low | 26.3 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | -73.3 | 142.5 | 176.5 | -53.6 | -97.1 | 0 | 0 | 0 | 114.1 | ||||
| 1746 | D | 26.9 | Very low | 26.3 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -169.5 | 135.7 | 141.7 | -100.8 | -18.3 | 0 | 0 | 0 | 107.4 | ||||
| 1747 | L | 24.6 | Very low | 26.2 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | 78.7 | 179.1 | 64.4 | -89.8 | 165.3 | 0 | 0 | 0 | 114.3 | |||||
| 1748 | S | 23.4 | Very low | 26.1 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -85.4 | 153.7 | -159.5 | 63.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1749 | K | 24.2 | Very low | 26.1 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 85.1 | 158.6 | 164.7 | -55.7 | 173.6 | 176.2 | 177.4 | 0 | 116.3 | ||||
| 1750 | S | 24.4 | Very low | 26.1 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | 54.3 | 112.6 | 165.3 | 48.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1751 | F | 26.5 | Very low | 25.9 | Very low | 230 Ų | 230 | 129.3 Ų | 129.3 | 100% | 1.009 | 70% | 0.695 | S | S | * | * | trans | -102 | 111.6 | 142 | -96.7 | -81 | 0 | 0 | 0 | 108.5 | ||||
| 1752 | Q | 24.3 | Very low | 25.9 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | trans | -154.4 | 152.3 | 174.1 | -163.1 | -178 | 12.2 | 0 | 0 | 108.3 | ||||
| 1753 | Y | 23.9 | Very low | 25.9 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | trans | 66.7 | 158.8 | -178.5 | -57.5 | -85.3 | 0 | 0 | 0 | 115.2 | ||||
| 1754 | V | 23.7 | Very low | 25.9 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 70% | 0.695 | S | S | * | * | cis | -128.7 | 133.5 | -0.8 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1755 | V | 27.5 | Very low | 25.8 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | trans | -3.1 | 142.3 | 136.7 | -145.1 | 0 | 0 | 0 | 0 | 116.9 | E1757 | V1755-E1757 HydrophobicContact CG1-CB 3.88Å; V1755-E1757 HydrophobicContact CG1-CG 3.83Å | ||
| 1756 | P | 24.7 | Very low | 25.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | -122.7 | 127.9 | 88.3 | 35.6 | -31.9 | 0 | 0 | 0 | 111.6 | |||||
| 1757 | E | 24.8 | Very low | 25.8 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 64% | 0.64 | 69% | 0.69 | S | S | * | * | 95.4 | 123.3 | 50.5 | -117.7 | -159.5 | -150.8 | 0 | 0 | 111.1 | V1755 | V1755-E1757 HydrophobicContact CG1-CB 3.88Å; V1755-E1757 HydrophobicContact CG1-CG 3.83Å | |||
| 1758 | N | 25.1 | Very low | 25.8 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | trans | 51.4 | 112 | 154.5 | -57.6 | -36.1 | 0 | 0 | 0 | 116.4 | ||||
| 1759 | I | 27.5 | Very low | 25.9 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | -174.7 | 151.8 | 80.7 | -91.4 | 159.7 | 0 | 0 | 0 | 110 | I1873 | I1759-I1873 WeakPolarHBondContact O-CG2 3.35Š| |||
| 1760 | L | 26.9 | Very low | 25.9 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 47% | 0.471 | 69% | 0.688 | S | S | . | * | cis | -171.3 | 112 | -30.5 | -169.7 | 92.1 | 0 | 0 | 0 | 108.8 | T1872 | L1760-T1872 CarbonylContact C-O 3.58Å; L1760-T1872 WeakPolarHBondContact CA-O 3.38Å | ||
| 1761 | S | 25.8 | Very low | 25.9 | Very low | 46 Ų | 46 | 130.4 Ų | 130.4 | 32% | 0.322 | 69% | 0.69 | S | S | . | * | trans | 61.7 | 168.3 | 158.5 | 86.1 | 0 | 0 | 0 | 0 | 117.5 | T1872 I1873 | S1761-T1872 PolarHBondContact N-O 2.84Å; S1761-I1873 WeakPolarHBondContact O-CD1 3.41Å | ||
| 1762 | N | 29.6 | Very low | 25.8 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | cis | -148.3 | 165.7 | -7.3 | -139.1 | -22.3 | 0 | 0 | 0 | 111.5 | ||||
| 1763 | N | 28.9 | Very low | 25.8 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 55% | 0.551 | 67% | 0.669 | S | S | * | * | trans | -44.6 | 155.8 | 165.2 | -60.4 | -78.6 | 0 | 0 | 0 | 115.5 | ||||
| 1764 | N | 27.8 | Very low | 25.9 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | -154.7 | 144.8 | 112.3 | -97.7 | -19.1 | 0 | 0 | 0 | 111.3 | |||||
| 1765 | T | 26.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | trans | -116.9 | -173.4 | -174.8 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1766 | M | 25.6 | Very low | 25.9 | Very low | 159 Ų | 159 | 124.5 Ų | 124.5 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | 75.8 | 126.1 | -175.6 | -49.1 | -168.2 | 79.9 | 0 | 0 | 114 | ||||
| 1767 | Q | 26.2 | Very low | 26 | Very low | 163 Ų | 163 | 125.7 Ų | 125.7 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | cis | 88 | 71.1 | 33.7 | -165 | -171.8 | 1.6 | 0 | 0 | 114.1 | ||||
| 1768 | L | 24.9 | Very low | 26 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | trans | -138.3 | 124.7 | 139 | -84.5 | 105.8 | 0 | 0 | 0 | 105.9 | ||||
| 1769 | S | 24.4 | Very low | 26 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | 62.2 | 98.4 | 54.9 | 81.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1770 | S | 24.6 | Very low | 25.9 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | trans | 45.6 | 109.5 | 150.7 | 60.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1771 | L | 24 | Very low | 25.7 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | -154.6 | 108.7 | 128 | -98 | 128 | 0 | 0 | 0 | 107.2 | |||||
| 1772 | F | 24.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 66% | 0.658 | 69% | 0.685 | S | S | * | * | 84.9 | 152.7 | 96.8 | -81.5 | -151.9 | 0 | 0 | 0 | 112.3 | |||||
| 1773 | C | 25.5 | Very low | 25.5 | Very low | 87 Ų | 87 | 138 Ų | 138 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | cis | -129 | 156.3 | 4.6 | -114 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1774 | R | 24.5 | Very low | 25.5 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 68% | 0.683 | 71% | 0.705 | S | S | * | * | 44.2 | 137.6 | 84.9 | -48.8 | -176.5 | 178.8 | -177.4 | -2.4 | 113.1 | |||||
| 1775 | Y | 25.4 | Very low | 25.3 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | cis | -127.2 | 169.3 | 24.7 | -81.6 | -110.8 | 0 | 0 | 0 | 111.8 | E1777 | Y1775-E1777 HydrophobicContact CD1-CG 4.4Š| ||
| 1776 | G | 27.1 | Very low | 25.2 | Very low | 58 Ų | 58 | 136 Ų | 136 | 60% | 0.598 | 69% | 0.69 | S | S | * | * | cis | -159.8 | -173.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1777 | E | 25.4 | Very low | 25.1 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | 74.3 | 122.9 | 88.3 | -75.4 | -177.4 | -168.9 | 0 | 0 | 112.8 | Y1775 | Y1775-E1777 HydrophobicContact CD1-CG 4.4Š| |||
| 1778 | L | 25.9 | Very low | 24.9 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | cis | -141.5 | 145.8 | 11.1 | -84.8 | 124.3 | 0 | 0 | 0 | 112.7 | ||||
| 1779 | Q | 25.6 | Very low | 24.9 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | 57 | 114.8 | 131.3 | -66.4 | -177.7 | -1.5 | 0 | 0 | 119.7 | ||||
| 1780 | Q | 23.9 | Very low | 24.9 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 66% | 0.659 | 68% | 0.681 | S | S | * | * | 84.5 | 154.2 | 66.8 | -78.3 | -177.9 | 7.2 | 0 | 0 | 112.4 | |||||
| 1781 | Q | 24.3 | Very low | 24.9 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | trans | 69.8 | 150.4 | 162 | -64.3 | 173 | 51.5 | 0 | 0 | 115.1 | ||||
| 1782 | Q | 25.1 | Very low | 25.1 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 61% | 0.607 | 68% | 0.682 | S | S | * | * | cis | -163.4 | 147.5 | -16.3 | -115.9 | 170.9 | 33.5 | 0 | 0 | 108.6 | ||||
| 1783 | R | 26.3 | Very low | 25.3 | Very low | 205 Ų | 205 | 129.1 Ų | 129.1 | 77% | 0.774 | 68% | 0.683 | S | S | * | * | trans | 62.9 | -175.8 | 169.5 | -53.8 | 169 | -171.2 | -172.9 | 2.2 | 111.1 | T1785 | R1783-T1785 HydrophobicContact CB-CG2 4.39Š| ||
| 1784 | P | 28.7 | Very low | 25.2 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | cis | -77.5 | 143.1 | -12.4 | -5.5 | 27.1 | 0 | 0 | 0 | 111.2 | ||||
| 1785 | T | 23.5 | Very low | 25.3 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 58% | 0.577 | 69% | 0.687 | S | S | * | * | 53.6 | 117 | 60.8 | 72.6 | 0 | 0 | 0 | 0 | 115.1 | R1783 | R1783-T1785 HydrophobicContact CB-CG2 4.39Š| |||
| 1786 | N | 23.4 | Very low | 25.1 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | 56.8 | 110.5 | 129.5 | -56.8 | 4 | 0 | 0 | 0 | 117.4 | |||||
| 1787 | S | 22.9 | Very low | 25 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | 68.3 | 122.2 | 65.8 | 81.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1788 | L | 23.2 | Very low | 25 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | 65.2 | 166.6 | -178.2 | -64.8 | 71.1 | 0 | 0 | 0 | 110.8 | ||||
| 1789 | V | 24.9 | Very low | 25 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | cis | -131 | 123 | 16.3 | -165.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1790 | V | 24.6 | Very low | 24.9 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | 42.5 | 121.8 | 96 | -171.2 | 0 | 0 | 0 | 0 | 111 | N1792 | V1790-N1792 HydrophobicContact CG1-CB 4.48Š| |||
| 1791 | C | 25 | Very low | 25 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | cis | -120.3 | 160 | 43 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1792 | N | 27.1 | Very low | 25 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | cis | 64.7 | 148 | 37.1 | -130.5 | 31.3 | 0 | 0 | 0 | 112.1 | V1790 | V1790-N1792 HydrophobicContact CG1-CB 4.48Š| ||
| 1793 | P | 30 | Very low | 25 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | cis | -114.7 | 171.3 | 10.7 | 45.4 | -32 | 0 | 0 | 0 | 113.2 | ||||
| 1794 | V | 23.5 | Very low | 24.8 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 61% | 0.612 | 69% | 0.685 | S | S | * | * | 47.3 | 132.1 | 95.6 | -158.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 1795 | I | 24.8 | Very low | 24.6 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | -149.6 | 117.8 | 51.2 | -26.3 | -174.4 | 0 | 0 | 0 | 106.6 | |||||
| 1796 | S | 22.8 | Very low | 24.6 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | 41.7 | 145.2 | 80.2 | 66.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1797 | S | 24.4 | Very low | 24.6 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | 59.3 | 148.5 | 173.3 | 54 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1798 | S | 25.1 | Very low | 24.6 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | cis | -162 | 162.6 | -15.7 | 40.9 | 0 | 0 | 0 | 0 | 109 | N1800 | S1798-N1800 PolarHBondContact O-N 2.79Š| ||
| 1799 | A | 25.2 | Very low | 24.7 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | -65.1 | 129.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1800 | N | 25.2 | Very low | 25 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | -179.9 | 155.2 | 111.5 | -91.4 | -34.5 | 0 | 0 | 0 | 114.2 | S1798 | S1798-N1800 PolarHBondContact O-N 2.79Š| |||
| 1801 | F | 24.2 | Very low | 25 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 47% | 0.474 | 69% | 0.692 | S | S | . | * | trans | 9.6 | 149.2 | 152.9 | -77.9 | -77.4 | 0 | 0 | 0 | 125.4 | R1153 L1154 N1155 | R1153-F1801 VanDerWaalsContact C-CZ 3.45Å; R1153-F1801 VanDerWaalsContact O-CE2 3.23Å; R1153-F1801 WeakPolarHBondContact O-CE2 3.29Å; R1153-F1801 WeakPolarHBondContact O-CZ 3.47Å; L1154-F1801 VanDerWaalsContact C-CZ 3.48Å; L1154-F1801 WeakPolarHBondContact O-CE1 3.39Å; L1154-F1801 WeakPolarHBondContact O-CZ 3.27Å; N1155-F1801 VanDerWaalsContact O-CE1 3.3Å; N1155-F1801 WeakPolarHBondContact O-CE1 3.19Å | ||
| 1802 | H | 26.1 | Very low | 25.2 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 58% | 0.583 | 69% | 0.694 | S | S | * | * | trans | 77.6 | 113 | 152.3 | -93.7 | -91.3 | 0 | 0 | 0 | 119.2 | ||||
| 1803 | E | 23.5 | Very low | 25.1 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | 62.6 | 131.3 | 131.2 | -81.1 | -177.7 | 133.5 | 0 | 0 | 122.9 | ||||
| 1804 | L | 23.6 | Very low | 24.9 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | 75.2 | 122.6 | 137 | -69.5 | 168.2 | 0 | 0 | 0 | 120.4 | ||||
| 1805 | S | 23.3 | Very low | 25 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | 66.1 | 103.2 | 137.1 | 63.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1806 | M | 22.9 | Very low | 25 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | 87.9 | 134.2 | 113.1 | -75.5 | -175.1 | 178.3 | 0 | 0 | 121.1 | |||||
| 1807 | L | 23.4 | Very low | 25.2 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | 78.3 | 115.8 | 139.3 | -71 | 165.6 | 0 | 0 | 0 | 120.7 | ||||
| 1808 | S | 24.2 | Very low | 25.1 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | 63.8 | 112.9 | 135 | 60.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1809 | T | 25.3 | Very low | 25.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | 17.1 | 145.2 | 109.1 | 57.8 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1810 | P | 30.8 | Very low | 25.3 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | cis | -151.4 | -176.1 | 43 | 42.4 | -21 | 0 | 0 | 0 | 117.9 | ||||
| 1811 | T | 25.1 | Very low | 25.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | trans | 19.5 | 142.9 | 146.9 | 57.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1812 | Y | 28.5 | Very low | 25.5 | Very low | 211 Ų | 211 | 131 Ų | 131 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | -165.8 | 168.1 | 103.9 | -120.9 | -93 | 0 | 0 | 0 | 114.4 | |||||
| 1813 | N | 26.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | -90.4 | -179.6 | -162.4 | -60.6 | -25.6 | 0 | 0 | 0 | 116.3 | ||||
| 1814 | H | 25.9 | Very low | 25.7 | Very low | 162 Ų | 162 | 133 Ų | 133 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | trans | 102.3 | 123 | 130.8 | -89.9 | -55.1 | 0 | 0 | 0 | 122.2 | ||||
| 1815 | C | 25.1 | Very low | 25.7 | Very low | 94 Ų | 94 | 134 Ų | 134 | 64% | 0.635 | 72% | 0.724 | S | S | * | * | 115.4 | 112.8 | 122.9 | -80.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1816 | F | 25.3 | Very low | 26 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | 95.4 | 99.2 | 123.5 | -90.4 | -119.5 | 0 | 0 | 0 | 122.9 | |||||
| 1817 | T | 25.2 | Very low | 26 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | 82.2 | 141.4 | 114.6 | 52.8 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1818 | E | 24.1 | Very low | 26.1 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | 81.6 | 144.4 | 139.9 | -83.4 | 167 | -140.6 | 0 | 0 | 120.4 | ||||
| 1819 | S | 27.2 | Very low | 26.2 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -149.2 | 167.2 | 3.2 | 45 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1820 | N | 25.8 | Very low | 26.2 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -82.1 | 145.1 | -175.7 | -49.7 | -77.2 | 0 | 0 | 0 | 114.5 | ||||
| 1821 | V | 29.4 | Very low | 25.9 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | trans | -154.5 | 104.7 | 133.3 | -175.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1822 | S | 24.9 | Very low | 25.8 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | cis | 98.7 | 138.3 | 33.6 | 85.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1823 | K | 26.4 | Very low | 25.6 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 81% | 0.809 | 73% | 0.732 | S | S | * | * | trans | 99.3 | 124.7 | 150.4 | -74.6 | -172.2 | 174.8 | -178.2 | 0 | 122.3 | ||||
| 1824 | N | 27.9 | Very low | 25.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 60% | 0.604 | 74% | 0.738 | S | S | * | * | trans | 75.6 | 116.6 | 145.4 | -65.1 | 45.2 | 0 | 0 | 0 | 117.4 | ||||
| 1825 | E | 23.6 | Very low | 25.5 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | 67.2 | 120.7 | 59.8 | -64.8 | 177.2 | 135.4 | 0 | 0 | 113.1 | |||||
| 1826 | V | 28.5 | Very low | 25.5 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | -168.7 | 134.8 | 104.6 | 143.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1827 | D | 23.8 | Very low | 25.4 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -61.8 | 149.3 | 172 | -50.4 | -74.4 | 0 | 0 | 0 | 112.8 | ||||
| 1828 | K | 26.1 | Very low | 25.3 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | 168.7 | 149 | 108.1 | -93.5 | 146.3 | -170.1 | 158.2 | 0 | 113.5 | |||||
| 1829 | S | 26 | Very low | 25.3 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 63.7 | 152.5 | 148.3 | 58.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1830 | S | 24 | Very low | 25.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -169.2 | -172.9 | -23.9 | 53.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1831 | S | 25.3 | Very low | 25.2 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | 53.1 | 86.5 | 147.4 | 54.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 1832 | Q | 23.4 | Very low | 25 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | 26.9 | 141.5 | 109.2 | -76.3 | 179.7 | -32 | 0 | 0 | 120.1 | |||||
| 1833 | V | 23.4 | Very low | 25.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 80.1 | 109.3 | 143.5 | 169.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1834 | V | 23.9 | Very low | 25.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | 54.9 | 118.5 | 135.9 | -180 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1835 | P | 27 | Very low | 25 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | -149.1 | 169.1 | 94.7 | 40.3 | -23.6 | 0 | 0 | 0 | 118.7 | |||||
| 1836 | T | 23.3 | Very low | 25.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -80.5 | -173.9 | 173.2 | -19.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1837 | T | 24.3 | Very low | 25 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | 77.3 | 103.2 | 151.2 | 39.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1838 | V | 23.2 | Very low | 25.1 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | 45.8 | 121.8 | 102.8 | 175.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1839 | R | 23.2 | Very low | 25.1 | Very low | 230 Ų | 230 | 129.1 Ų | 129.1 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | 167.2 | 179.4 | 109.4 | -131.5 | 167 | -164.8 | 152.7 | 2.3 | 112.5 | |||||
| 1840 | V | 26.3 | Very low | 25.2 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | 68.4 | 109.2 | 169.9 | -165.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1841 | S | 24.6 | Very low | 25.4 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | 77.3 | 120.6 | 20.5 | 94.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1842 | N | 26.5 | Very low | 25.7 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | 154.6 | 159.8 | 132.1 | -73.6 | -3.6 | 0 | 0 | 0 | 112.5 | ||||
| 1843 | Y | 27.7 | Very low | 26 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | trans | 70.8 | 140.7 | 164.5 | -56.9 | -70.2 | 0 | 0 | 0 | 119.9 | ||||
| 1844 | D | 25.8 | Very low | 26.3 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | cis | -162.4 | 166.7 | -35.1 | -133.9 | -5.5 | 0 | 0 | 0 | 115.9 | ||||
| 1845 | L | 25.3 | Very low | 26.6 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | 33.3 | 105.3 | 147.9 | -99.9 | 73.4 | 0 | 0 | 0 | 122.6 | ||||
| 1846 | S | 26 | Very low | 26.7 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | 93.9 | 156.8 | 102.9 | 80.3 | 0 | 0 | 0 | 0 | 125 | |||||
| 1847 | K | 26 | Very low | 27 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 99.4 | 93 | 136.1 | -89.5 | 168.4 | -176 | 175.2 | 0 | 123.4 | ||||
| 1848 | T | 25.9 | Very low | 27.3 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | 81.5 | 145.1 | 114.5 | 47.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1849 | T | 26.8 | Very low | 27.5 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | 70 | 149.2 | 147.1 | 43.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1850 | S | 27.7 | Very low | 27.9 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | cis | -177.2 | 119.5 | -11 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1851 | S | 28.8 | Very low | 28 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | 95 | 113.8 | 77.3 | 75.8 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1852 | S | 29.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | 76.8 | 161 | 125.7 | 71.2 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1853 | T | 30.4 | Very low | 28.5 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 83.1 | 142.8 | 160.3 | 65.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1854 | T | 29.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | cis | -160.9 | -160.8 | -15.6 | 30.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1855 | T | 30.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 117 Ų | 117 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | cis | -165.2 | 134.3 | 13.3 | -18.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1856 | T | 28.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | 44.2 | 128.1 | 143 | 53.4 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 1857 | G | 29.4 | Very low | 29.1 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 104 | 153 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1858 | T | 30.9 | Very low | 29.4 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | cis | -168.8 | 136.9 | -11.2 | 22.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1859 | V | 28 | Very low | 29.6 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | trans | 79.5 | 104.5 | 132.8 | 174.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1860 | T | 30.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | trans | 66.2 | 135.8 | 137.4 | 63.6 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1861 | N | 30.1 | Very low | 29.6 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 68.6 | 145.7 | 139.6 | -65.5 | 8 | 0 | 0 | 0 | 119.4 | ||||
| 1862 | N | 30.3 | Very low | 29.5 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | cis | -155.7 | 159.2 | 12.9 | -129.7 | 7.9 | 0 | 0 | 0 | 113.7 | ||||
| 1863 | N | 29.5 | Very low | 29.3 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | trans | 70.5 | 130.9 | 151.9 | -64.6 | -4.7 | 0 | 0 | 0 | 123.3 | ||||
| 1864 | N | 29.3 | Very low | 29 | Very low | 162 Ų | 162 | 121.9 Ų | 121.9 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | trans | 71.6 | 126.1 | 149.3 | -55.5 | -8.8 | 0 | 0 | 0 | 119.5 | ||||
| 1865 | G | 29.9 | Very low | 29.1 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 157.4 | 0.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1866 | V | 29.3 | Very low | 29 | Very low | 153 Ų | 153 | 127 Ų | 127 | 93% | 0.927 | 74% | 0.743 | S | S | * | * | trans | 11.7 | 121.3 | 169 | -173.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1867 | G | 30.6 | Very low | 29 | Very low | 57 Ų | 57 | 126.5 Ų | 126.5 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | trans | 116.2 | 74.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1868 | T | 31.4 | Very low | 29 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | 35.7 | 103.1 | 96.2 | 62.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 1869 | H | 29.6 | Very low | 28.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | cis | 77.4 | 115.3 | 40.2 | -148.5 | 13.5 | 0 | 0 | 0 | 114.8 | F1561 | F1561-H1869 PolarHBondContact O-CD2 3.02Å; F1561-H1869 VanDerWaalsContact O-CD2 3.24Å | ||
| 1870 | C | 25.8 | Very low | 28.9 | Very low | 114 Ų | 114 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -88.1 | 138 | -178 | -72.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1871 | R | 28.5 | Very low | 28.8 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 61% | 0.611 | 74% | 0.739 | S | S | * | * | trans | -155.3 | 109.8 | 156.2 | -130.7 | -179.9 | -176.2 | 167.2 | 3.7 | 116 | ||||
| 1872 | T | 26.9 | Very low | 28.7 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 48% | 0.479 | 74% | 0.738 | S | S | . | * | trans | 45.8 | 124.6 | 144.3 | 55.9 | 0 | 0 | 0 | 0 | 120.6 | L1760 S1761 | L1760-T1872 CarbonylContact C-O 3.58Å; L1760-T1872 WeakPolarHBondContact CA-O 3.38Å; S1761-T1872 PolarHBondContact N-O 2.84Å | ||
| 1873 | I | 25.7 | Very low | 28.6 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 41% | 0.41 | 75% | 0.745 | S | S | . | * | -157.1 | 168.4 | 109.8 | -142.5 | -175.1 | 0 | 0 | 0 | 110.6 | I1759 S1761 | I1759-I1873 WeakPolarHBondContact O-CG2 3.35Å; S1761-I1873 WeakPolarHBondContact O-CD1 3.41Å | |||
| 1874 | R | 25.1 | Very low | 28.5 | Very low | 211 Ų | 211 | 132.3 Ų | 132.3 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -10.3 | 142.4 | 163.8 | -64.1 | 159.5 | 178.8 | 160.2 | -1.7 | 116.2 | ||||
| 1875 | T | 30.2 | Very low | 28.4 | Very low | 210 Ų | 210 | 129.5 Ų | 129.5 | 100% | 1.288 | 74% | 0.743 | S | S | * | * | cis | -89.7 | 0 | 21.7 | 54.8 | 0 | 0 | 0 | 0 | 115.1 |
Retrieved 1,875 of 1,875 residues in 2494.4 ms
(Link to these results)