| 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 | 37.4 | Very low | 46.5 | Very low | 253 Ų | 253 | 147 Ų | 147 | 100% | 1.246 | 79% | 0.788 | S | S | * | * | 0 | 123.4 | 0 | -77.5 | 172 | 175.3 | 0 | 0 | 107 | |||||
| 2 | A | 38.7 | Very low | 47.8 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | cis | -143.2 | 133.9 | 11.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | S | 41.3 | Very low | 49 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -70.8 | 119 | 163.4 | 176.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 4 | H | 47.7 | Very low | 50.3 | Low | 158 Ų | 158 | 132.1 Ų | 132.1 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | trans | -147.2 | 129.8 | 170.4 | -121 | -86.3 | 0 | 0 | 0 | 110.4 | ||||
| 5 | N | 45.4 | Very low | 51.5 | Low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | 105.9 | 44.6 | 155.1 | -51.1 | -29.3 | 0 | 0 | 0 | 120.1 | ||||
| 6 | T | 46.9 | Very low | 52.8 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -118.2 | 13.3 | 158.3 | 45.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 7 | L | 47 | Very low | 54.2 | Low | 162 Ų | 162 | 123.6 Ų | 123.6 | 85% | 0.848 | 66% | 0.664 | S | S | * | * | trans | -86 | -0.1 | 177.3 | -91.4 | 153.7 | 0 | 0 | 0 | 114.7 | S9 | L7-S9 PolarHBondContact O-N 3.45Š| ||
| 8 | R | 46.6 | Very low | 55.7 | Low | 219 Ų | 219 | 124.4 Ų | 124.4 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -81.8 | -9.3 | -168.2 | -156.6 | 171 | -175.9 | 174.3 | 1.8 | 115.8 | I12 | R8-I12 HydrophobicContact CG-CD1 4.35Å; R8-I12 WeakPolarHBondContact O-CD1 3.5Å; R8-I12 WeakPolarHBondContact O-CG1 3.08Å |
| 9 | S | 54.2 | Low | 57.2 | Low | 76 Ų | 76 | 121.6 Ų | 121.6 | 53% | 0.531 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -104.7 | -19.1 | -167 | -142.4 | 0 | 0 | 0 | 0 | 116.2 | L7 | L7-S9 PolarHBondContact O-N 3.45Š|
| 10 | Y | 50.7 | Low | 58.5 | Low | 173 Ų | 173 | 118.9 Ų | 118.9 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -30 | -171.4 | -75.9 | -84.6 | 0 | 0 | 0 | 114.4 | P14 | Y10-P14 WeakPolarHBondContact O-CD 3.34Å; Y10-P14 WeakPolarHBondContact O-CG 3.41Å |
| 11 | S | 55.6 | Low | 59.9 | Low | 97 Ų | 97 | 118.4 Ų | 118.4 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -17.4 | -179 | -162.6 | 0 | 0 | 0 | 0 | 114.2 | C15 | S11-C15 WeakPolarHBondContact O-CB 3.3Å; S11-C15 PolarHBondContact O-N 2.96Å |
| 12 | I | 62.1 | Low | 62.4 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -79.8 | -38.3 | -173.5 | -60.2 | 179.6 | 0 | 0 | 0 | 111.4 | R8 C15 F16 | R8-I12 HydrophobicContact CG-CD1 4.35Å; R8-I12 WeakPolarHBondContact O-CD1 3.5Å; R8-I12 WeakPolarHBondContact O-CG1 3.08Å; I12-C15 PolarHBondContact O-N 3.5Å; I12-F16 WeakPolarHBondContact O-CB 3.33Å; I12-F16 PolarHBondContact O-N 2.83Å |
| 13 | I | 63.3 | Low | 64.9 | Low | 56 Ų | 56 | 109.6 Ų | 109.6 | 29% | 0.287 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.6 | -46.9 | -178.1 | -62 | 161.8 | 0 | 0 | 0 | 111.9 | C15 F16 I17 | I13-C15 VanDerWaalsContact C-N 3.29Å; I13-C15 PolarHBondContact O-N 3.49Å; I13-F16 PolarHBondContact O-N 3.01Å; I13-I17 HydrophobicContact CG2-CD1 4.05Å; I13-I17 WeakPolarHBondContact O-CG1 3.11Å; I13-I17 PolarHBondContact O-N 3.29Å; I13-I17 VanDerWaalsContact O-N 3.07Å |
| 14 | P | 67.9 | Low | 67.3 | Low | 78 Ų | 78 | 105.8 Ų | 105.8 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 174.3 | -22 | 33.6 | 0 | 0 | 0 | 112.4 | Y10 F18 | Y10-P14 WeakPolarHBondContact O-CD 3.34Å; Y10-P14 WeakPolarHBondContact O-CG 3.41Å; P14-F18 VanDerWaalsContact O-CB 3.3Å; P14-F18 WeakPolarHBondContact O-CB 3.43Å; P14-F18 PolarHBondContact O-N 3.37Å |
| 15 | C | 67.9 | Low | 69.4 | Low | 74 Ų | 74 | 101.6 Ų | 101.6 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.7 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | S11 I12 I13 F18 V19 | S11-C15 WeakPolarHBondContact O-CB 3.3Å; S11-C15 PolarHBondContact O-N 2.96Å; I12-C15 PolarHBondContact O-N 3.5Å; I13-C15 VanDerWaalsContact C-N 3.29Å; I13-C15 PolarHBondContact O-N 3.49Å; C15-F18 PolarHBondContact O-N 3.19Å; C15-V19 WeakPolarHBondContact O-CG2 3.33Å; C15-V19 PolarHBondContact O-N 2.86Å |
| 16 | F | 72.1 | Confident | 71.7 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.5 | -176.7 | -99.8 | 0 | 0 | 0 | 112.1 | I12 I13 F18 V19 E20 | I12-F16 WeakPolarHBondContact O-CB 3.33Å; I12-F16 PolarHBondContact O-N 2.83Å; I13-F16 PolarHBondContact O-N 3.01Å; F16-F18 VanDerWaalsContact C-N 3.32Å; F16-F18 PolarHBondContact O-N 3.47Å; F16-V19 PolarHBondContact O-N 2.91Å; F16-E20 HydrophobicContact CD1-CG 4.33Å; F16-E20 HydrophobicContact CE1-CG 4.01Å; F16-E20 WeakPolarHBondContact CE1-OE1 3.25Å; F16-E20 WeakPolarHBondContact CE1-OE2 3.48Å; F16-E20 HydrophobicContact CZ-CG 4.16Å; F16-E20 WeakPolarHBondContact CZ-OE1 3.29Å; F16-E20 WeakPolarHBondContact O-CG 3.43Å; F16-E20 PolarHBondContact O-N 3.15Å |
| 17 | I | 76.1 | Confident | 73.9 | Confident | 54 Ų | 54 | 91.7 Ų | 91.7 | 28% | 0.277 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.2 | -66.9 | 171.7 | 0 | 0 | 0 | 110.7 | I13 E20 L21 L116 | I13-I17 HydrophobicContact CG2-CD1 4.05Å; I13-I17 WeakPolarHBondContact O-CG1 3.11Å; I13-I17 PolarHBondContact O-N 3.29Å; I13-I17 VanDerWaalsContact O-N 3.07Å; I17-E20 PolarHBondContact O-N 3.48Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.22Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.25Å; I17-L21 WeakPolarHBondContact O-CG 2.78Å; I17-L21 PolarHBondContact O-N 3.31Å; I17-L116 HydrophobicContact CD1-CD1 4.24Å |
| 18 | F | 81.4 | Confident | 76.1 | Confident | 139 Ų | 139 | 86.8 Ų | 86.8 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 177.2 | -177.4 | -98.1 | 0 | 0 | 0 | 111.8 | P14 C15 F16 E20 L21 V22 | P14-F18 VanDerWaalsContact O-CB 3.3Å; P14-F18 WeakPolarHBondContact O-CB 3.43Å; P14-F18 PolarHBondContact O-N 3.37Å; C15-F18 PolarHBondContact O-N 3.19Å; F16-F18 VanDerWaalsContact C-N 3.32Å; F16-F18 PolarHBondContact O-N 3.47Å; F18-E20 PolarHBondContact O-N 2.98Å; F18-L21 PolarHBondContact O-N 2.96Å; F18-V22 HydrophobicContact CD1-CG2 4.2Å; F18-V22 HydrophobicContact CE1-CG2 3.81Å; F18-V22 HydrophobicContact CE2-CG2 4.45Å; F18-V22 HydrophobicContact CZ-CG2 3.96Å; F18-V22 WeakPolarHBondContact O-CG2 3.44Å; F18-V22 PolarHBondContact O-N 3.07Å |
| 19 | V | 83.9 | Confident | 78.3 | Confident | 71 Ų | 71 | 80.6 Ų | 80.6 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | C15 F16 L21 V22 I23 | C15-V19 WeakPolarHBondContact O-CG2 3.33Å; C15-V19 PolarHBondContact O-N 2.86Å; F16-V19 PolarHBondContact O-N 2.91Å; V19-L21 PolarHBondContact O-N 3.32Å; V19-V22 PolarHBondContact O-N 3.35Å; V19-I23 HydrophobicContact CG1-CD1 3.86Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.42Å; V19-I23 PolarHBondContact O-N 3.42Å |
| 20 | E | 84.4 | Confident | 80.1 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.6 | -73.1 | -174.1 | 148.2 | 0 | 0 | 112 | F16 I17 F18 I23 M24 | F16-E20 HydrophobicContact CD1-CG 4.33Å; F16-E20 HydrophobicContact CE1-CG 4.01Å; F16-E20 WeakPolarHBondContact CE1-OE1 3.25Å; F16-E20 WeakPolarHBondContact CE1-OE2 3.48Å; F16-E20 HydrophobicContact CZ-CG 4.16Å; F16-E20 WeakPolarHBondContact CZ-OE1 3.29Å; F16-E20 WeakPolarHBondContact O-CG 3.43Å; F16-E20 PolarHBondContact O-N 3.15Å; I17-E20 PolarHBondContact O-N 3.48Å; F18-E20 PolarHBondContact O-N 2.98Å; E20-I23 PolarHBondContact O-N 3.4Å; E20-M24 WeakPolarHBondContact O-CB 3.46Å; E20-M24 VanDerWaalsContact O-CG 3.27Å; E20-M24 WeakPolarHBondContact O-CG 3.45Å; E20-M24 PolarHBondContact O-N 2.97Å |
| 21 | L | 86.8 | Confident | 82.1 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 176.8 | -72.6 | 175.5 | 0 | 0 | 0 | 112.1 | I17 F18 V19 M24 S25 | I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.22Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.25Å; I17-L21 WeakPolarHBondContact O-CG 2.78Å; I17-L21 PolarHBondContact O-N 3.31Å; F18-L21 PolarHBondContact O-N 2.96Å; V19-L21 PolarHBondContact O-N 3.32Å; L21-M24 PolarHBondContact O-N 3.45Å; L21-S25 WeakPolarHBondContact O-CB 3.39Å; L21-S25 PolarHBondContact O-N 3.07Å; L21-S25 PolarHBondContact O-OG 3.05Å |
| 22 | V | 91 | Very high | 83.7 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | F18 V19 M24 S25 G26 | F18-V22 HydrophobicContact CD1-CG2 4.2Å; F18-V22 HydrophobicContact CE1-CG2 3.81Å; F18-V22 HydrophobicContact CE2-CG2 4.45Å; F18-V22 HydrophobicContact CZ-CG2 3.96Å; F18-V22 WeakPolarHBondContact O-CG2 3.44Å; F18-V22 PolarHBondContact O-N 3.07Å; V19-V22 PolarHBondContact O-N 3.35Å; V22-M24 VanDerWaalsContact C-N 3.34Å; V22-M24 PolarHBondContact O-N 2.92Å; V22-S25 WeakPolarHBondContact CA-OG 2.92Å; V22-S25 PolarHBondContact O-N 2.79Å; V22-S25 PolarHBondContact O-OG 2.96Å; V22-G26 PolarHBondContact O-N 3.37Å |
| 23 | I | 91 | Very high | 85 | Confident | 89 Ų | 89 | 75 Ų | 75 | 46% | 0.456 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 176.4 | -67.5 | 165.9 | 0 | 0 | 0 | 110.3 | V19 E20 S25 G26 T27 F132 | V19-I23 HydrophobicContact CG1-CD1 3.86Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.42Å; V19-I23 PolarHBondContact O-N 3.42Å; E20-I23 PolarHBondContact O-N 3.4Å; I23-S25 PolarHBondContact O-N 2.98Å; I23-G26 PolarHBondContact O-N 3.3Å; I23-T27 PolarHBondContact O-N 3.47Å; I23-T27 PolarHBondContact O-OG1 3.14Å; I23-F132 HydrophobicContact CG2-CD2 4.3Å; I23-F132 HydrophobicContact CG2-CE2 3.92Å |
| 24 | M | 91.6 | Very high | 86.1 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.3 | -75.6 | -57.4 | -58.3 | 0 | 0 | 112 | E20 L21 V22 G26 T27 V28 A131 F132 F135 | E20-M24 WeakPolarHBondContact O-CB 3.46Å; E20-M24 VanDerWaalsContact O-CG 3.27Å; E20-M24 WeakPolarHBondContact O-CG 3.45Å; E20-M24 PolarHBondContact O-N 2.97Å; L21-M24 PolarHBondContact O-N 3.45Å; V22-M24 VanDerWaalsContact C-N 3.34Å; V22-M24 PolarHBondContact O-N 2.92Å; M24-G26 VanDerWaalsContact C-N 3.31Å; M24-G26 PolarHBondContact O-N 2.92Å; M24-T27 WeakPolarHBondContact CA-OG1 3.05Å; M24-T27 PolarHBondContact O-N 3.29Å; M24-T27 PolarHBondContact O-OG1 3.5Å; M24-V28 VanDerWaalsContact O-CG2 3.31Å; M24-V28 WeakPolarHBondContact O-CG2 3.35Å; M24-V28 PolarHBondContact O-N 3.33Å; M24-A131 HydrophobicContact CE-CB 3.78Å; M24-F132 HydrophobicContact CE-CB 4.39Å; M24-F132 HydrophobicContact SD-CB 3.52Å; M24-F132 VanDerWaalsContact SD-CB 3.52Å; M24-F132 HydrophobicContact SD-CD2 3.96Å; M24-F132 HydrophobicContact SD-CG 4.23Å; M24-F135 HydrophobicContact CE-CD2 4.18Å |
| 25 | S | 92 | Very high | 86.9 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 112 | L21 V22 I23 V28 L29 | L21-S25 WeakPolarHBondContact O-CB 3.39Å; L21-S25 PolarHBondContact O-N 3.07Å; L21-S25 PolarHBondContact O-OG 3.05Å; V22-S25 WeakPolarHBondContact CA-OG 2.92Å; V22-S25 PolarHBondContact O-N 2.79Å; V22-S25 PolarHBondContact O-OG 2.96Å; I23-S25 PolarHBondContact O-N 2.98Å; S25-V28 PolarHBondContact O-N 3.18Å; S25-L29 VanDerWaalsContact O-CB 3.25Å; S25-L29 WeakPolarHBondContact O-CB 3.07Å; S25-L29 PolarHBondContact O-N 3.21Å |
| 26 | G | 93.4 | Very high | 87.5 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 38% | 0.381 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V22 I23 M24 L29 L30 | V22-G26 PolarHBondContact O-N 3.37Å; I23-G26 PolarHBondContact O-N 3.3Å; M24-G26 VanDerWaalsContact C-N 3.31Å; M24-G26 PolarHBondContact O-N 2.92Å; G26-L29 PolarHBondContact O-N 2.71Å; G26-L30 WeakPolarHBondContact O-CB 3.29Å; G26-L30 PolarHBondContact O-N 3.39Å |
| 27 | T | 93.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 70 Ų | 70 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | I23 M24 L30 A31 F132 | I23-T27 PolarHBondContact O-N 3.47Å; I23-T27 PolarHBondContact O-OG1 3.14Å; M24-T27 WeakPolarHBondContact CA-OG1 3.05Å; M24-T27 PolarHBondContact O-N 3.29Å; M24-T27 PolarHBondContact O-OG1 3.5Å; T27-L30 PolarHBondContact O-N 2.87Å; T27-A31 WeakPolarHBondContact O-CB 3.49Å; T27-A31 PolarHBondContact O-N 2.86Å; T27-F132 HydrophobicContact CG2-CD2 4.03Å; T27-F132 HydrophobicContact CG2-CE2 3.67Å |
| 28 | V | 93.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -44 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | M24 S25 L30 A31 Y32 F135 | M24-V28 VanDerWaalsContact O-CG2 3.31Å; M24-V28 WeakPolarHBondContact O-CG2 3.35Å; M24-V28 PolarHBondContact O-N 3.33Å; S25-V28 PolarHBondContact O-N 3.18Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 2.94Å; V28-A31 PolarHBondContact O-N 3.41Å; V28-Y32 WeakPolarHBondContact O-CB 3.25Å; V28-Y32 PolarHBondContact O-N 3.33Å; V28-F135 HydrophobicContact CG2-CD1 4.3Å; V28-F135 HydrophobicContact CG2-CD2 3.77Å; V28-F135 HydrophobicContact CG2-CE1 4.07Å; V28-F135 HydrophobicContact CG2-CE2 3.53Å; V28-F135 HydrophobicContact CG2-CG 4.18Å; V28-F135 HydrophobicContact CG2-CZ 3.69Å |
| 29 | L | 92.8 | Very high | 87.4 | Confident | 89 Ų | 89 | 72.5 Ų | 72.5 | 47% | 0.466 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178 | -175.7 | 62.9 | 0 | 0 | 0 | 111.2 | S25 G26 Y32 Y33 | S25-L29 VanDerWaalsContact O-CB 3.25Å; S25-L29 WeakPolarHBondContact O-CB 3.07Å; S25-L29 PolarHBondContact O-N 3.21Å; G26-L29 PolarHBondContact O-N 2.71Å; L29-Y32 PolarHBondContact O-N 3.37Å; L29-Y33 HydrophobicContact CD1-CD2 3.92Å; L29-Y33 HydrophobicContact CD1-CE2 3.4Å; L29-Y33 HydrophobicContact CD2-CE2 4.03Å; L29-Y33 HydrophobicContact CG-CD2 3.79Å; L29-Y33 HydrophobicContact CG-CE2 3.49Å; L29-Y33 VanDerWaalsContact CG-CE2 3.49Å; L29-Y33 WeakPolarHBondContact O-CD2 3.29Å; L29-Y33 PolarHBondContact O-N 3.15Å |
| 30 | L | 91.9 | Very high | 87.1 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 43% | 0.429 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 176.3 | -178.9 | 58.6 | 0 | 0 | 0 | 112 | G26 T27 V28 Y32 Y33 M34 I139 | G26-L30 WeakPolarHBondContact O-CB 3.29Å; G26-L30 PolarHBondContact O-N 3.39Å; T27-L30 PolarHBondContact O-N 2.87Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 2.94Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 2.77Å; L30-Y33 PolarHBondContact O-N 3.42Å; L30-M34 HydrophobicContact CD1-CG 4.35Å; L30-M34 VanDerWaalsContact O-CG 3.29Å; L30-M34 WeakPolarHBondContact O-CG 3.26Å; L30-M34 PolarHBondContact O-N 3.3Å; L30-I139 HydrophobicContact CB-CD1 4.27Å; L30-I139 HydrophobicContact CD2-CD1 4.06Å; L30-I139 HydrophobicContact CD2-CG2 4.27Å; L30-I139 HydrophobicContact CG-CD1 4.15Å; L30-I139 HydrophobicContact CG-CG1 4.4Å |
| 31 | A | 91.2 | Very high | 87 | Confident | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.033 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T27 V28 Y33 M34 E35 F135 I139 | T27-A31 WeakPolarHBondContact O-CB 3.49Å; T27-A31 PolarHBondContact O-N 2.86Å; V28-A31 PolarHBondContact O-N 3.41Å; A31-Y33 PolarHBondContact O-N 2.83Å; A31-M34 PolarHBondContact O-N 3.4Å; A31-E35 WeakPolarHBondContact O-CB 3.27Å; A31-E35 PolarHBondContact O-N 3.19Å; A31-F135 HydrophobicContact CB-CD1 3.93Å; A31-I139 HydrophobicContact CB-CD1 4.32Å; A31-I139 HydrophobicContact CB-CG1 3.97Å |
| 32 | Y | 90.6 | Very high | 87 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 53% | 0.525 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 175.6 | 175.6 | -98.5 | 0 | 0 | 0 | 112.5 | V28 L29 L30 E35 C36 | V28-Y32 WeakPolarHBondContact O-CB 3.25Å; V28-Y32 PolarHBondContact O-N 3.33Å; L29-Y32 PolarHBondContact O-N 3.37Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 2.77Å; Y32-E35 PolarHBondContact O-N 3.29Å; Y32-C36 HydrophobicContact CD2-CB 4.12Å; Y32-C36 HydrophobicContact CE1-CB 4.45Å; Y32-C36 HydrophobicContact CE2-CB 3.77Å; Y32-C36 VanDerWaalsContact CE2-SG 3.53Å; Y32-C36 VanDerWaalsContact O-CB 3.3Å; Y32-C36 WeakPolarHBondContact O-CB 3.47Å; Y32-C36 PolarHBondContact O-N 2.92Å |
| 33 | Y | 89.1 | Confident | 86.9 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.2 | -81.1 | -64.9 | 0 | 0 | 0 | 111.8 | L29 L30 A31 E35 T37 | L29-Y33 HydrophobicContact CD1-CD2 3.92Å; L29-Y33 HydrophobicContact CD1-CE2 3.4Å; L29-Y33 HydrophobicContact CD2-CE2 4.03Å; L29-Y33 HydrophobicContact CG-CD2 3.79Å; L29-Y33 HydrophobicContact CG-CE2 3.49Å; L29-Y33 VanDerWaalsContact CG-CE2 3.49Å; L29-Y33 WeakPolarHBondContact O-CD2 3.29Å; L29-Y33 PolarHBondContact O-N 3.15Å; L30-Y33 PolarHBondContact O-N 3.42Å; A31-Y33 PolarHBondContact O-N 2.83Å; Y33-E35 VanDerWaalsContact C-N 3.29Å; Y33-E35 PolarHBondContact O-N 3.47Å; Y33-T37 HydrophobicContact CD1-CG2 3.75Å; Y33-T37 HydrophobicContact CE1-CG2 4.35Å; Y33-T37 WeakPolarHBondContact O-CB 3.4Å; Y33-T37 PolarHBondContact O-N 3.34Å; Y33-T37 VanDerWaalsContact O-N 3.07Å; Y33-T37 PolarHBondContact O-OG1 2.82Å |
| 34 | M | 86.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 11% | 0.108 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 177.9 | -69.4 | -71.3 | -67.7 | 0 | 0 | 112.7 | L30 A31 F40 N142 A143 | L30-M34 HydrophobicContact CD1-CG 4.35Å; L30-M34 VanDerWaalsContact O-CG 3.29Å; L30-M34 WeakPolarHBondContact O-CG 3.26Å; L30-M34 PolarHBondContact O-N 3.3Å; A31-M34 PolarHBondContact O-N 3.4Å; M34-F40 HydrophobicContact CE-CD2 4.34Å; M34-F40 HydrophobicContact SD-CD2 3.39Å; M34-F40 WeakPolarHBondContact SD-CD2 3.31Å; M34-F40 HydrophobicContact SD-CE2 3.34Å; M34-F40 WeakPolarHBondContact SD-CE2 3.32Å; M34-F40 HydrophobicContact SD-CZ 4.48Å; M34-N142 HydrophobicContact CB-CB 4.2Å; M34-N142 HydrophobicContact CE-CB 3.96Å; M34-A143 HydrophobicContact CE-CB 4.04Å |
| 35 | E | 84.3 | Confident | 86.6 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -84.5 | -45.7 | -176.7 | -166.5 | 73.6 | 176.7 | 0 | 0 | 112.9 | A31 Y32 Y33 N142 K198 | A31-E35 WeakPolarHBondContact O-CB 3.27Å; A31-E35 PolarHBondContact O-N 3.19Å; Y32-E35 PolarHBondContact O-N 3.29Å; Y33-E35 VanDerWaalsContact C-N 3.29Å; Y33-E35 PolarHBondContact O-N 3.47Å; E35-N142 PolarHBondContact OE2-ND2 2.9Å; E35-N142 PolarHBondContact OE2-OD1 3.44Å; E35-K198 IonicContact OE1-NZ 3.31Å; E35-K198 PolarHBondContact OE1-NZ 2.9Å; E35-K198 IonicContact OE2-NZ 3.75Å; E35-K198 PolarHBondContact OE2-NZ 3.33Å |
| 36 | C | 81.8 | Confident | 86.4 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 52% | 0.52 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -101.6 | -4.7 | -167.9 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | Y32 | Y32-C36 HydrophobicContact CD2-CB 4.12Å; Y32-C36 HydrophobicContact CE1-CB 4.45Å; Y32-C36 HydrophobicContact CE2-CB 3.77Å; Y32-C36 VanDerWaalsContact CE2-SG 3.53Å; Y32-C36 VanDerWaalsContact O-CB 3.3Å; Y32-C36 WeakPolarHBondContact O-CB 3.47Å; Y32-C36 PolarHBondContact O-N 2.92Å |
| 37 | T | 80.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | trans | -126.1 | 140.3 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | Y33 L39 | Y33-T37 HydrophobicContact CD1-CG2 3.75Å; Y33-T37 HydrophobicContact CE1-CG2 4.35Å; Y33-T37 WeakPolarHBondContact O-CB 3.4Å; Y33-T37 PolarHBondContact O-N 3.34Å; Y33-T37 VanDerWaalsContact O-N 3.07Å; Y33-T37 PolarHBondContact O-OG1 2.82Å; T37-L39 PolarHBondContact O-N 3.43Å; T37-L39 WeakPolarHBondContact OG1-CB 3.38Å | ||
| 38 | D | 71.4 | Confident | 86.1 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 33.4 | 174.8 | -55.3 | -42.6 | 0 | 0 | 0 | 111.7 | F40 | D38-F40 PolarHBondContact O-N 2.81Š|
| 39 | L | 74.5 | Confident | 85.7 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 60% | 0.602 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.8 | -175.4 | -169.3 | 70.3 | 0 | 0 | 0 | 111.4 | T37 | T37-L39 PolarHBondContact O-N 3.43Å; T37-L39 WeakPolarHBondContact OG1-CB 3.38Å |
| 40 | F | 78.1 | Confident | 85.3 | Confident | 105 Ų | 105 | 67 Ų | 67 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -121.8 | 112 | 175.7 | -53.8 | -78.2 | 0 | 0 | 0 | 109.8 | M34 D38 V146 | M34-F40 HydrophobicContact CE-CD2 4.34Å; M34-F40 HydrophobicContact SD-CD2 3.39Å; M34-F40 WeakPolarHBondContact SD-CD2 3.31Å; M34-F40 HydrophobicContact SD-CE2 3.34Å; M34-F40 WeakPolarHBondContact SD-CE2 3.32Å; M34-F40 HydrophobicContact SD-CZ 4.48Å; D38-F40 PolarHBondContact O-N 2.81Å; F40-V146 HydrophobicContact CB-CG1 3.67Å |
| 41 | G | 81.2 | Confident | 85.2 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 66% | 0.66 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 136.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H43 V146 | G41-H43 PolarHBondContact O-N 3.47Å; G41-V146 WeakPolarHBondContact O-CG1 3.46Å |
| 42 | V | 87.3 | Confident | 85.2 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.7 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | V44 E189 R192 R193 | V42-V44 PolarHBondContact O-N 3.48Å; V42-E189 HydrophobicContact CG2-CG 3.96Å; V42-R192 HydrophobicContact CG1-CB 3.85Å; V42-R193 HydrophobicContact CG1-CG 4.48Å; V42-R193 HydrophobicContact CG2-CG 3.98Å; V42-R193 VanDerWaalsContact CG2-NE 3.3Å |
| 43 | H | 89.4 | Confident | 85.3 | Confident | 108 Ų | 108 | 68 Ų | 68 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 133.1 | 174.1 | -176.6 | 70.3 | 0 | 0 | 0 | 110.8 | G41 Q45 V146 V147 G149 | G41-H43 PolarHBondContact O-N 3.47Å; H43-Q45 PolarHBondContact O-N 3.38Å; H43-V146 WeakPolarHBondContact CB-O 3.27Å; H43-V146 PolarHBondContact N-O 3.19Å; H43-V147 WeakPolarHBondContact CB-O 3.46Å; H43-G149 VanDerWaalsContact O-CA 3.27Å; H43-G149 WeakPolarHBondContact O-CA 3.47Å |
| 44 | V | 88.8 | Confident | 85.5 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | trans | -89.5 | 95.7 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | V42 | V42-V44 PolarHBondContact O-N 3.48Š| ||
| 45 | Q | 87 | Confident | 85.9 | Confident | 87 Ų | 87 | 67 Ų | 67 | 41% | 0.407 | 37% | 0.37 | S | S | . | . | trans | -72.7 | 141.6 | 170 | -165.4 | 178.8 | 9.1 | 0 | 0 | 110.5 | H43 R192 | H43-Q45 PolarHBondContact O-N 3.38Å; Q45-R192 PolarHBondContact O-NH1 2.7Å | ||
| 46 | G | 88.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 13% | 0.134 | 37% | 0.367 | C | S | . | . | trans | -77.5 | 157 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F174 I175 | G46-F174 VanDerWaalsContact C-CE2 3.5Å; G46-I175 CarbonylContact C-O 3.29Å; G46-I175 WeakPolarHBondContact CA-O 3.35Å | ||
| 47 | F | 90.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.022 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 164.5 | -176.8 | 58.8 | -88.7 | 0 | 0 | 0 | 112.8 | L54 L151 F155 L156 I175 I180 | F47-L54 HydrophobicContact CB-CD1 4.12Å; F47-L151 HydrophobicContact CB-CD1 3.59Å; F47-L151 HydrophobicContact CD1-CD1 4.17Å; F47-L151 HydrophobicContact CG-CD1 4.21Å; F47-F155 AromaticContact CD1-CE1 3.67Å; F47-F155 HydrophobicContact CD1-CE1 3.67Å; F47-F155 HydrophobicContact CD1-CZ 4.14Å; F47-F155 HydrophobicContact CD2-CE1 4.15Å; F47-F155 AromaticContact CE1-CE1 3.52Å; F47-F155 HydrophobicContact CE1-CE1 3.52Å; F47-F155 AromaticContact CE1-CZ 3.72Å; F47-F155 HydrophobicContact CE1-CZ 3.72Å; F47-F155 HydrophobicContact CE2-CE1 4.01Å; F47-F155 AromaticContact CG-CE1 3.96Å; F47-F155 HydrophobicContact CG-CE1 3.96Å; F47-F155 AromaticContact CZ-CE1 3.66Å; F47-F155 HydrophobicContact CZ-CE1 3.66Å; F47-F155 HydrophobicContact CZ-CZ 4.05Å; F47-L156 HydrophobicContact CD2-CD2 3.69Å; F47-L156 HydrophobicContact CE2-CD2 3.56Å; F47-L156 HydrophobicContact CZ-CD2 4.5Å; F47-I175 HydrophobicContact CE2-CD1 4.3Å; F47-I175 PolarHBondContact N-O 2.9Å; F47-I175 PolarHBondContact O-N 2.74Å; F47-I180 HydrophobicContact CE1-CD1 4.21Å; F47-I180 HydrophobicContact CE2-CD1 3.59Å; F47-I180 HydrophobicContact CZ-CD1 3.23Å; F47-I180 HydrophobicContact CZ-CG1 3.8Å |
| 48 | F | 90.3 | Very high | 87.7 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.4 | 172.2 | -62.5 | -82 | 0 | 0 | 0 | 110.8 | N50 D51 F174 | F48-N50 VanDerWaalsContact C-N 3.29Å; F48-N50 PolarHBondContact O-N 2.9Å; F48-D51 HydrophobicContact CB-CB 4.35Å; F48-F174 HydrophobicContact CD1-CB 4.07Å; F48-F174 HydrophobicContact CD1-CD2 4.07Å; F48-F174 HydrophobicContact CD2-CD2 4.09Å; F48-F174 HydrophobicContact CE1-CB 3.71Å; F48-F174 AromaticContact CE1-CD2 3.77Å; F48-F174 HydrophobicContact CE1-CD2 3.77Å; F48-F174 HydrophobicContact CE1-CG 4.18Å; F48-F174 AromaticContact CE2-CD2 3.77Å; F48-F174 HydrophobicContact CE2-CD2 3.77Å; F48-F174 HydrophobicContact CE2-CE2 4.2Å; F48-F174 HydrophobicContact CG-CD2 4.23Å; F48-F174 HydrophobicContact CZ-CB 4.29Å; F48-F174 AromaticContact CZ-CD2 3.61Å; F48-F174 HydrophobicContact CZ-CD2 3.61Å; F48-F174 HydrophobicContact CZ-CE2 4.36Å; F48-F174 HydrophobicContact CZ-CG 4.31Å |
| 49 | C | 84.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -38.5 | -177.9 | -86.3 | 0 | 0 | 0 | 0 | 115.8 | Y163 C168 Q173 I175 | C49-Y163 HydrophobicContact CB-CE1 4.49Å; C49-Y163 WeakPolarHBondContact O-CE1 3.5Å; C49-Y163 PolarHBondContact O-OH 3.49Å; C49-C168 HydrophobicContact CB-CB 4.3Å; C49-C168 WeakPolarHBondContact CB-SG 3.31Å; C49-C168 WeakPolarHBondContact SG-CA 3.27Å; C49-C168 WeakPolarHBondContact SG-CB 3.45Å; C49-C168 CovalentContact SG-SG 2.01Å; C49-C168 PolarHBondContact SG-SG 2.85Å; C49-Q173 PolarHBondContact N-O 2.86Å; C49-I175 WeakPolarHBondContact SG-CD1 3.27Å |
| 50 | N | 84.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 41.1 | -172 | -71.7 | -34.8 | 0 | 0 | 0 | 111.6 | F48 A52 Y163 N171 | F48-N50 VanDerWaalsContact C-N 3.29Å; F48-N50 PolarHBondContact O-N 2.9Å; N50-A52 PolarHBondContact O-N 3.22Å; N50-Y163 WeakPolarHBondContact OD1-CE1 3.49Å; N50-N171 HydrophobicContact CB-CB 4.48Å; N50-N171 PolarHBondContact ND2-OD1 3.26Å |
| 51 | D | 89.9 | Confident | 90.1 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | trans | -75.4 | 111.5 | 176.8 | -164 | -29.3 | 0 | 0 | 0 | 111.4 | F48 E53 L54 M55 L156 | F48-D51 HydrophobicContact CB-CB 4.35Å; D51-E53 PolarHBondContact O-N 2.91Å; D51-E53 WeakPolarHBondContact OD1-CB 3.49Å; D51-E53 PolarHBondContact OD1-N 3.25Å; D51-L54 HydrophobicContact CB-CB 4.26Å; D51-L54 HydrophobicContact CB-CD1 4.16Å; D51-L54 HydrophobicContact CB-CG 4.21Å; D51-L54 PolarHBondContact O-N 3.44Å; D51-L54 VanDerWaalsContact O-N 3.07Å; D51-M55 VanDerWaalsContact O-CG 3.24Å; D51-M55 WeakPolarHBondContact O-CG 3.27Å; D51-M55 PolarHBondContact O-N 2.88Å; D51-L156 HydrophobicContact CB-CD1 4.19Å | ||
| 52 | A | 90.5 | Very high | 90.2 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N50 K56 | N50-A52 PolarHBondContact O-N 3.22Å; A52-K56 PolarHBondContact O-NZ 3.41Å; A52-K56 VanDerWaalsContact O-NZ 3.15Å |
| 53 | E | 93 | Very high | 90.1 | Very high | 126 Ų | 126 | 65.2 Ų | 65.2 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -28.3 | 174.9 | -61.2 | -166.7 | 171.7 | 0 | 0 | 112.1 | D51 P153 | D51-E53 PolarHBondContact O-N 2.91Å; D51-E53 WeakPolarHBondContact OD1-CB 3.49Å; D51-E53 PolarHBondContact OD1-N 3.25Å; E53-P153 VanDerWaalsContact O-CA 3.3Å; E53-P153 WeakPolarHBondContact O-CA 3.33Å; E53-P153 VanDerWaalsContact O-O 3.12Å |
| 54 | L | 93.9 | Very high | 90 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -3.2 | -178.4 | -58 | 178.3 | 0 | 0 | 0 | 113.9 | F47 D51 L151 S152 P153 Y154 F155 L156 | F47-L54 HydrophobicContact CB-CD1 4.12Å; D51-L54 HydrophobicContact CB-CB 4.26Å; D51-L54 HydrophobicContact CB-CD1 4.16Å; D51-L54 HydrophobicContact CB-CG 4.21Å; D51-L54 PolarHBondContact O-N 3.44Å; D51-L54 VanDerWaalsContact O-N 3.07Å; L54-L151 HydrophobicContact CD1-CB 4.4Å; L54-L151 HydrophobicContact CD1-CD1 3.83Å; L54-L151 HydrophobicContact CD2-CB 3.87Å; L54-S152 WeakPolarHBondContact CD2-O 3.29Å; L54-P153 CarbonylContact C-O 3.04Å; L54-P153 WeakPolarHBondContact CA-O 3.33Å; L54-Y154 CarbonylContact O-C 2.89Å; L54-F155 PolarHBondContact O-N 3Å; L54-L156 HydrophobicContact CB-CB 4.49Å; L54-L156 HydrophobicContact CB-CD1 3.8Å; L54-L156 HydrophobicContact CB-CG 3.83Å; L54-L156 WeakPolarHBondContact O-CB 3.21Å; L54-L156 PolarHBondContact O-N 3.38Å |
| 55 | M | 93.5 | Very high | 89.9 | Confident | 95 Ų | 95 | 61 Ų | 61 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | trans | -94.4 | 18.7 | 179 | -71.4 | 176.3 | 76.6 | 0 | 0 | 113.7 | D51 P153 L156 | D51-M55 VanDerWaalsContact O-CG 3.24Å; D51-M55 WeakPolarHBondContact O-CG 3.27Å; D51-M55 PolarHBondContact O-N 2.88Å; M55-P153 PolarHBondContact N-O 3.32Å; M55-L156 HydrophobicContact CG-CB 3.98Å; M55-L156 HydrophobicContact CG-CD1 3.64Å; M55-L156 HydrophobicContact CG-CG 4.46Å | ||
| 56 | K | 95.6 | Very high | 90 | Very high | 74 Ų | 74 | 64.6 Ų | 64.6 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 151.5 | 176.4 | -57 | -52.8 | -179.7 | -153.7 | 0 | 110.8 | A52 P153 Y154 S157 Y249 | A52-K56 PolarHBondContact O-NZ 3.41Å; A52-K56 VanDerWaalsContact O-NZ 3.15Å; K56-P153 HydrophobicContact CB-CB 4.17Å; K56-P153 WeakPolarHBondContact CB-O 3.27Å; K56-P153 HydrophobicContact CG-CB 3.72Å; K56-P153 WeakPolarHBondContact CG-O 3.44Å; K56-P153 PolarHBondContact N-O 3.33Å; K56-Y154 WeakPolarHBondContact O-CA 3.24Å; K56-S157 WeakPolarHBondContact O-CB 3.17Å; K56-S157 PolarHBondContact O-OG 2.94Å; K56-Y249 HydrophobicContact CB-CD1 4.17Å; K56-Y249 HydrophobicContact CB-CD2 4.09Å; K56-Y249 HydrophobicContact CB-CG 3.76Å; K56-Y249 HydrophobicContact CD-CD1 4.32Å; K56-Y249 HydrophobicContact CD-CE1 4.39Å; K56-Y249 HydrophobicContact CG-CD1 3.94Å; K56-Y249 HydrophobicContact CG-CE1 4.49Å; K56-Y249 HydrophobicContact CG-CG 4.06Å |
| 57 | P | 94.8 | Very high | 90.1 | Very high | 83 Ų | 83 | 65.6 Ų | 65.6 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -62 | 142.7 | 179.6 | 26 | -34.8 | 0 | 0 | 0 | 110.8 | P59 Y249 | P57-P59 WeakPolarHBondContact O-CD 3.25Å; P57-Y249 HydrophobicContact CG-CD2 4.01Å; P57-Y249 HydrophobicContact CG-CE2 3.93Å |
| 58 | Y | 94.4 | Very high | 90.2 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 37% | 0.373 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -64 | 120.3 | 175.6 | 178 | -126.8 | 0 | 0 | 0 | 110.4 | G60 Y154 V158 V187 | Y58-G60 VanDerWaalsContact CE1-CA 3.45Å; Y58-G60 WeakPolarHBondContact CE2-O 3.49Å; Y58-G60 VanDerWaalsContact CZ-C 3.44Å; Y58-G60 VanDerWaalsContact CZ-O 3.26Å; Y58-G60 PolarHBondContact O-N 3.38Å; Y58-G60 VanDerWaalsContact OH-C 3.31Å; Y58-G60 PolarHBondContact OH-O 3.09Å; Y58-G60 VanDerWaalsContact OH-O 3.13Å; Y58-Y154 AromaticContact CD2-CD2 3.58Å; Y58-Y154 HydrophobicContact CD2-CD2 3.58Å; Y58-Y154 AromaticContact CD2-CE2 3.75Å; Y58-Y154 HydrophobicContact CD2-CE2 3.75Å; Y58-Y154 HydrophobicContact CD2-CG 4.29Å; Y58-Y154 HydrophobicContact CE2-CD2 4.19Å; Y58-Y154 AromaticContact CE2-CE2 3.86Å; Y58-Y154 HydrophobicContact CE2-CE2 3.86Å; Y58-V158 HydrophobicContact CD1-CG1 4.4Å; Y58-V158 HydrophobicContact CD2-CG1 3.37Å; Y58-V158 HydrophobicContact CE2-CG1 3.88Å; Y58-V158 HydrophobicContact CG-CG1 3.68Å; Y58-V187 HydrophobicContact CE2-CG1 3.8Å |
| 59 | P | 91.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 63 Ų | 63 | 25% | 0.253 | 34% | 0.339 | S | S | . | . | trans | -74.6 | -3.5 | -177.2 | 29.2 | -35.6 | 0 | 0 | 0 | 114.2 | P57 Y154 E248 R250 | P57-P59 WeakPolarHBondContact O-CD 3.25Å; P59-Y154 HydrophobicContact CG-CD1 4.11Å; P59-Y154 HydrophobicContact CG-CE1 4.33Å; P59-E248 HydrophobicContact CB-CB 4.48Å; P59-E248 VanDerWaalsContact CB-O 3.3Å; P59-E248 WeakPolarHBondContact CB-O 3.44Å; P59-E248 WeakPolarHBondContact CG-O 3.28Å; P59-R250 HydrophobicContact CG-CG 3.87Å | ||
| 60 | G | 91.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | trans | 93.1 | -167.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y58 | Y58-G60 VanDerWaalsContact CE1-CA 3.45Å; Y58-G60 WeakPolarHBondContact CE2-O 3.49Å; Y58-G60 VanDerWaalsContact CZ-C 3.44Å; Y58-G60 VanDerWaalsContact CZ-O 3.26Å; Y58-G60 PolarHBondContact O-N 3.38Å; Y58-G60 VanDerWaalsContact OH-C 3.31Å; Y58-G60 PolarHBondContact OH-O 3.09Å; Y58-G60 VanDerWaalsContact OH-O 3.13Å | ||
| 61 | T | 89.6 | Confident | 91 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | trans | -66.2 | 157.6 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | E63 S64 R250 | T61-E63 PolarHBondContact O-N 2.8Å; T61-S64 PolarHBondContact N-OG 2.77Å; T61-S64 PolarHBondContact O-N 3.16Å; T61-S64 VanDerWaalsContact O-N 3.08Å; T61-S64 PolarHBondContact O-OG 2.94Å; T61-S64 PolarHBondContact OG1-OG 3.15Å; T61-R250 PolarHBondContact O-NH2 3.05Å | ||
| 62 | E | 84.6 | Confident | 91.3 | Very high | 74 Ų | 74 | 69 Ų | 69 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -56.5 | -30.2 | 173.9 | -72 | -67.9 | 149.1 | 0 | 0 | 113.1 | S64 S65 P69 R245 R250 | E62-S64 VanDerWaalsContact C-N 3.27Å; E62-S64 PolarHBondContact O-N 3.27Å; E62-S65 WeakPolarHBondContact O-CB 3.33Å; E62-S65 PolarHBondContact O-N 3.41Å; E62-P69 HydrophobicContact CB-CG 3.95Å; E62-P69 HydrophobicContact CG-CG 4.33Å; E62-P69 WeakPolarHBondContact O-CD 3.31Å; E62-P69 VanDerWaalsContact OE2-CG 3.24Å; E62-P69 WeakPolarHBondContact OE2-CG 3.38Å; E62-R245 IonicContact OE1-NH1 3.52Å; E62-R245 IonicContact OE2-CZ 3.21Å; E62-R245 IonicContact OE2-NH1 3.34Å; E62-R245 PolarHBondContact OE2-NH1 3.02Å; E62-R245 IonicContact OE2-NH2 3.56Å; E62-R250 IonicContact OE1-CZ 3.95Å; E62-R250 IonicContact OE1-NH1 3.87Å; E62-R250 PolarHBondContact OE1-NH1 3.2Å; E62-R250 IonicContact OE2-CZ 2.71Å; E62-R250 IonicContact OE2-NH1 2.92Å; E62-R250 PolarHBondContact OE2-NH1 2.79Å |
| 63 | E | 85.1 | Confident | 91.5 | Very high | 135 Ų | 135 | 69.2 Ų | 69.2 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -68.8 | -22.3 | 177.4 | -58.6 | -58.7 | 157.5 | 0 | 0 | 113.9 | T61 S65 | T61-E63 PolarHBondContact O-N 2.8Å; E63-S65 VanDerWaalsContact C-N 3.33Å |
| 64 | S | 86 | Confident | 91.6 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -91.1 | 3.8 | 177.3 | 60.6 | 0 | 0 | 0 | 0 | 113 | T61 E62 | T61-S64 PolarHBondContact N-OG 2.77Å; T61-S64 PolarHBondContact O-N 3.16Å; T61-S64 VanDerWaalsContact O-N 3.08Å; T61-S64 PolarHBondContact O-OG 2.94Å; T61-S64 PolarHBondContact OG1-OG 3.15Å; E62-S64 VanDerWaalsContact C-N 3.27Å; E62-S64 PolarHBondContact O-N 3.27Å |
| 65 | S | 88.1 | Confident | 91.7 | Very high | 9 Ų | 9 | 70.2 Ų | 70.2 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -62.1 | 149.5 | 170.7 | -85.7 | 0 | 0 | 0 | 0 | 111.9 | E62 E63 V67 P68 E248 R250 | E62-S65 WeakPolarHBondContact O-CB 3.33Å; E62-S65 PolarHBondContact O-N 3.41Å; E63-S65 VanDerWaalsContact C-N 3.33Å; S65-V67 WeakPolarHBondContact CB-O 3.39Å; S65-V67 PolarHBondContact O-N 2.94Å; S65-P68 WeakPolarHBondContact O-CD 3.41Å; S65-E248 WeakPolarHBondContact CA-OE1 3.26Å; S65-E248 WeakPolarHBondContact CB-OE2 3.44Å; S65-E248 PolarHBondContact OG-OE2 3.2Å; S65-R250 PolarHBondContact OG-NE 3.31Å; S65-R250 PolarHBondContact OG-NH2 2.84Å |
| 66 | F | 88.3 | Confident | 91.8 | Very high | 163 Ų | 163 | 66.2 Ų | 66.2 | 72% | 0.715 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -55.4 | -37.8 | 169 | -175.5 | -102.8 | 0 | 0 | 0 | 111.6 | E248 | F66-E248 WeakPolarHBondContact CB-OE1 3.36Å; F66-E248 PolarHBondContact N-OE1 3.39Å |
| 67 | V | 90.8 | Very high | 91.8 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -119.8 | 97.9 | 168.5 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | S65 L72 N244 R245 | S65-V67 WeakPolarHBondContact CB-O 3.39Å; S65-V67 PolarHBondContact O-N 2.94Å; V67-L72 HydrophobicContact CG1-CB 4Å; V67-L72 HydrophobicContact CG1-CD1 4.4Å; V67-N244 WeakPolarHBondContact CG2-ND2 3.11Å; V67-R245 PolarHBondContact O-NH2 3.3Å |
| 68 | P | 92.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 63 Ų | 63 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | trans | -58.7 | 138 | 175 | -25.5 | 34.7 | 0 | 0 | 0 | 111.4 | S65 L70 I71 L72 | S65-P68 WeakPolarHBondContact O-CD 3.41Å; P68-L70 PolarHBondContact O-N 3.46Å; P68-I71 HydrophobicContact CB-CD1 4.41Å; P68-I71 HydrophobicContact CB-CG1 4.36Å; P68-I71 HydrophobicContact CG-CD1 4.07Å; P68-I71 PolarHBondContact O-N 3.18Å; P68-I71 VanDerWaalsContact O-N 3.09Å; P68-L72 PolarHBondContact O-N 2.99Å; P68-L72 VanDerWaalsContact O-N 3.11Å | ||
| 69 | P | 90.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 10% | 0.104 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.9 | -36.5 | -179.1 | -28.4 | 36.1 | 0 | 0 | 0 | 113.4 | E62 I71 L72 Y73 | E62-P69 HydrophobicContact CB-CG 3.95Å; E62-P69 HydrophobicContact CG-CG 4.33Å; E62-P69 WeakPolarHBondContact O-CD 3.31Å; E62-P69 VanDerWaalsContact OE2-CG 3.24Å; E62-P69 WeakPolarHBondContact OE2-CG 3.38Å; P69-I71 PolarHBondContact O-N 2.85Å; P69-L72 PolarHBondContact O-N 3.08Å; P69-Y73 HydrophobicContact CB-CD2 4.37Å; P69-Y73 HydrophobicContact CB-CE2 3.8Å; P69-Y73 WeakPolarHBondContact O-CB 3.44Å; P69-Y73 WeakPolarHBondContact O-CD1 3.13Å; P69-Y73 WeakPolarHBondContact O-CD2 3.47Å; P69-Y73 PolarHBondContact O-N 3.42Å |
| 70 | L | 91.7 | Very high | 92 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 61% | 0.613 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.9 | -48.6 | 177.1 | -176.8 | 67.4 | 0 | 0 | 0 | 111.7 | P68 Y73 C74 | P68-L70 PolarHBondContact O-N 3.46Å; L70-Y73 PolarHBondContact O-N 2.94Å; L70-C74 WeakPolarHBondContact O-CB 3.34Å; L70-C74 PolarHBondContact O-N 3.37Å; L70-C74 PolarHBondContact O-SG 3.49Å |
| 71 | I | 94.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 179.7 | -60.6 | -179.7 | 0 | 0 | 0 | 109.7 | P68 P69 Y73 C74 V75 | P68-I71 HydrophobicContact CB-CD1 4.41Å; P68-I71 HydrophobicContact CB-CG1 4.36Å; P68-I71 HydrophobicContact CG-CD1 4.07Å; P68-I71 PolarHBondContact O-N 3.18Å; P68-I71 VanDerWaalsContact O-N 3.09Å; P69-I71 PolarHBondContact O-N 2.85Å; I71-Y73 PolarHBondContact O-N 3.28Å; I71-C74 PolarHBondContact O-N 3.36Å; I71-V75 HydrophobicContact CG2-CG2 4.32Å; I71-V75 WeakPolarHBondContact O-CB 3.26Å; I71-V75 VanDerWaalsContact O-CG2 3.27Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 2.95Å |
| 72 | L | 95.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 178.5 | -176.3 | 65.7 | 0 | 0 | 0 | 111.3 | V67 P68 P69 C74 V75 V76 D199 A241 | V67-L72 HydrophobicContact CG1-CB 4Å; V67-L72 HydrophobicContact CG1-CD1 4.4Å; P68-L72 PolarHBondContact O-N 2.99Å; P68-L72 VanDerWaalsContact O-N 3.11Å; P69-L72 PolarHBondContact O-N 3.08Å; L72-C74 PolarHBondContact O-N 3.45Å; L72-V75 PolarHBondContact O-N 3.49Å; L72-V76 HydrophobicContact CD1-CG2 3.97Å; L72-V76 HydrophobicContact CG-CG2 4.14Å; L72-V76 VanDerWaalsContact O-CB 3.27Å; L72-V76 WeakPolarHBondContact O-CB 3.4Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 2.85Å; L72-D199 HydrophobicContact CD2-CB 3.49Å; L72-D199 VanDerWaalsContact CD2-CB 3.49Å; L72-D199 WeakPolarHBondContact CD2-OD2 3.4Å; L72-A241 HydrophobicContact CD1-CB 4.08Å |
| 73 | Y | 95 | Very high | 92.8 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | -177 | -59.3 | -16.9 | 0 | 0 | 0 | 111.7 | P69 L70 I71 A77 D199 L202 | P69-Y73 HydrophobicContact CB-CD2 4.37Å; P69-Y73 HydrophobicContact CB-CE2 3.8Å; P69-Y73 WeakPolarHBondContact O-CB 3.44Å; P69-Y73 WeakPolarHBondContact O-CD1 3.13Å; P69-Y73 WeakPolarHBondContact O-CD2 3.47Å; P69-Y73 PolarHBondContact O-N 3.42Å; L70-Y73 PolarHBondContact O-N 2.94Å; I71-Y73 PolarHBondContact O-N 3.28Å; Y73-A77 WeakPolarHBondContact O-CB 3.36Å; Y73-A77 PolarHBondContact O-N 3.3Å; Y73-D199 VanDerWaalsContact CE1-OD1 3.31Å; Y73-D199 WeakPolarHBondContact CE1-OD1 3.21Å; Y73-D199 PolarHBondContact OH-OD1 2.92Å; Y73-L202 HydrophobicContact CD1-CD1 4.02Å; Y73-L202 HydrophobicContact CE1-CD1 3.8Å |
| 74 | C | 95.7 | Very high | 93.2 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 51% | 0.507 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 171.8 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | L70 I71 L72 A77 A78 | L70-C74 WeakPolarHBondContact O-CB 3.34Å; L70-C74 PolarHBondContact O-N 3.37Å; L70-C74 PolarHBondContact O-SG 3.49Å; I71-C74 PolarHBondContact O-N 3.36Å; L72-C74 PolarHBondContact O-N 3.45Å; C74-A77 PolarHBondContact O-N 3.36Å; C74-A78 WeakPolarHBondContact O-CB 3.35Å; C74-A78 PolarHBondContact O-N 2.87Å |
| 75 | V | 95.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | -179.6 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | I71 L72 A77 A78 A79 | I71-V75 HydrophobicContact CG2-CG2 4.32Å; I71-V75 WeakPolarHBondContact O-CB 3.26Å; I71-V75 VanDerWaalsContact O-CG2 3.27Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 2.95Å; L72-V75 PolarHBondContact O-N 3.49Å; V75-A77 VanDerWaalsContact C-N 3.27Å; V75-A77 PolarHBondContact O-N 3.45Å; V75-A78 PolarHBondContact O-N 2.88Å; V75-A79 WeakPolarHBondContact O-CB 3.39Å; V75-A79 PolarHBondContact O-N 3.23Å |
| 76 | V | 96.5 | Very high | 93.6 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 179.8 | 164.3 | 0 | 0 | 0 | 0 | 111.4 | L72 P80 F130 L134 L202 S206 | L72-V76 HydrophobicContact CD1-CG2 3.97Å; L72-V76 HydrophobicContact CG-CG2 4.14Å; L72-V76 VanDerWaalsContact O-CB 3.27Å; L72-V76 WeakPolarHBondContact O-CB 3.4Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 2.85Å; V76-P80 WeakPolarHBondContact O-CD 3.39Å; V76-P80 WeakPolarHBondContact O-CG 3.35Å; V76-F130 WeakPolarHBondContact O-CZ 2.91Å; V76-L134 HydrophobicContact CG1-CD2 3.75Å; V76-L202 HydrophobicContact CG1-CB 4.22Å; V76-L202 WeakPolarHBondContact CG1-O 3.45Å; V76-S206 PolarHBondContact O-OG 3.24Å |
| 77 | A | 95.5 | Very high | 93.6 | Very high | 40 Ų | 40 | 51 Ų | 51 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -81.9 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y73 C74 V75 T81 L134 | Y73-A77 WeakPolarHBondContact O-CB 3.36Å; Y73-A77 PolarHBondContact O-N 3.3Å; C74-A77 PolarHBondContact O-N 3.36Å; V75-A77 VanDerWaalsContact C-N 3.27Å; V75-A77 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 3.39Å; A77-L134 HydrophobicContact CB-CD1 4.14Å |
| 78 | A | 95.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76.3 | -40.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C74 V75 T81 V82 | C74-A78 WeakPolarHBondContact O-CB 3.35Å; C74-A78 PolarHBondContact O-N 2.87Å; V75-A78 PolarHBondContact O-N 2.88Å; A78-T81 VanDerWaalsContact CA-OG1 3.27Å; A78-T81 WeakPolarHBondContact CA-OG1 3.27Å; A78-T81 PolarHBondContact O-N 3.33Å; A78-T81 PolarHBondContact O-OG1 2.91Å; A78-V82 WeakPolarHBondContact O-CB 3.11Å; A78-V82 VanDerWaalsContact O-CG2 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.44Å; A78-V82 PolarHBondContact O-N 2.92Å |
| 79 | A | 94.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V75 I83 | V75-A79 WeakPolarHBondContact O-CB 3.39Å; V75-A79 PolarHBondContact O-N 3.23Å; A79-I83 WeakPolarHBondContact O-CB 3.41Å; A79-I83 WeakPolarHBondContact O-CD1 3.25Å; A79-I83 VanDerWaalsContact O-CG1 3.24Å; A79-I83 WeakPolarHBondContact O-CG1 3.3Å; A79-I83 PolarHBondContact O-N 3.47Å |
| 80 | P | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 176.4 | -21.4 | 35.2 | 0 | 0 | 0 | 113 | V76 I83 I84 F130 S206 L210 | V76-P80 WeakPolarHBondContact O-CD 3.39Å; V76-P80 WeakPolarHBondContact O-CG 3.35Å; P80-I83 PolarHBondContact O-N 2.96Å; P80-I84 HydrophobicContact CB-CD1 4.47Å; P80-I84 VanDerWaalsContact O-CB 3.28Å; P80-I84 WeakPolarHBondContact O-CB 3.27Å; P80-I84 WeakPolarHBondContact O-CD1 3.37Å; P80-I84 WeakPolarHBondContact O-CG1 3.48Å; P80-I84 PolarHBondContact O-N 3.36Å; P80-F130 HydrophobicContact CB-CD1 4.45Å; P80-F130 HydrophobicContact CB-CD2 4.33Å; P80-F130 HydrophobicContact CB-CE1 3.95Å; P80-F130 HydrophobicContact CB-CE2 3.81Å; P80-F130 HydrophobicContact CB-CZ 3.61Å; P80-F130 HydrophobicContact CG-CE1 4.19Å; P80-F130 HydrophobicContact CG-CE2 3.82Å; P80-F130 HydrophobicContact CG-CZ 3.48Å; P80-F130 VanDerWaalsContact CG-CZ 3.48Å; P80-S206 WeakPolarHBondContact CG-OG 3.38Å; P80-L210 HydrophobicContact CB-CB 4.37Å; P80-L210 HydrophobicContact CB-CD1 4.39Å; P80-L210 HydrophobicContact CG-CB 4.41Å; P80-L210 HydrophobicContact CG-CD2 4.28Å |
| 81 | T | 94.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 178.6 | 34.4 | 0 | 0 | 0 | 0 | 111.8 | A77 A78 F85 I127 F130 | A77-T81 PolarHBondContact O-OG1 3.39Å; A78-T81 VanDerWaalsContact CA-OG1 3.27Å; A78-T81 WeakPolarHBondContact CA-OG1 3.27Å; A78-T81 PolarHBondContact O-N 3.33Å; A78-T81 PolarHBondContact O-OG1 2.91Å; T81-F85 VanDerWaalsContact O-CB 3.29Å; T81-F85 WeakPolarHBondContact O-CB 3.41Å; T81-F85 PolarHBondContact O-N 3.38Å; T81-I127 HydrophobicContact CG2-CD1 4.24Å; T81-I127 HydrophobicContact CG2-CG1 4.2Å; T81-I127 HydrophobicContact CG2-CG2 3.79Å; T81-F130 HydrophobicContact CG2-CD1 4.18Å; T81-F130 HydrophobicContact CG2-CE1 4.33Å |
| 82 | V | 95 | Very high | 92 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 49% | 0.485 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | A78 I84 F85 I86 | A78-V82 WeakPolarHBondContact O-CB 3.11Å; A78-V82 VanDerWaalsContact O-CG2 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.44Å; A78-V82 PolarHBondContact O-N 2.92Å; V82-I84 PolarHBondContact O-N 2.91Å; V82-F85 PolarHBondContact O-N 2.74Å; V82-I86 HydrophobicContact CG1-CD1 3.63Å; V82-I86 HydrophobicContact CG1-CG1 4.36Å; V82-I86 WeakPolarHBondContact O-CB 3.26Å; V82-I86 VanDerWaalsContact O-CG1 3.29Å; V82-I86 WeakPolarHBondContact O-CG1 3.42Å; V82-I86 PolarHBondContact O-N 2.89Å |
| 83 | I | 93.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | -179.5 | -67.1 | 164.4 | 0 | 0 | 0 | 111.6 | A79 P80 G87 L210 I214 | A79-I83 WeakPolarHBondContact O-CB 3.41Å; A79-I83 WeakPolarHBondContact O-CD1 3.25Å; A79-I83 VanDerWaalsContact O-CG1 3.24Å; A79-I83 WeakPolarHBondContact O-CG1 3.3Å; A79-I83 PolarHBondContact O-N 3.47Å; P80-I83 PolarHBondContact O-N 2.96Å; I83-G87 PolarHBondContact O-N 3.33Å; I83-L210 HydrophobicContact CB-CD1 3.84Å; I83-L210 HydrophobicContact CD1-CD1 3.96Å; I83-L210 HydrophobicContact CD1-CD2 3.59Å; I83-L210 HydrophobicContact CD1-CG 4.34Å; I83-L210 HydrophobicContact CG2-CD1 3.65Å; I83-I214 HydrophobicContact CG2-CG1 4.47Å |
| 84 | I | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.1 | -69.4 | 163.9 | 0 | 0 | 0 | 110.1 | P80 V82 G87 E88 F126 I127 Y209 Y213 | P80-I84 HydrophobicContact CB-CD1 4.47Å; P80-I84 VanDerWaalsContact O-CB 3.28Å; P80-I84 WeakPolarHBondContact O-CB 3.27Å; P80-I84 WeakPolarHBondContact O-CD1 3.37Å; P80-I84 WeakPolarHBondContact O-CG1 3.48Å; P80-I84 PolarHBondContact O-N 3.36Å; V82-I84 PolarHBondContact O-N 2.91Å; I84-G87 PolarHBondContact O-N 2.89Å; I84-E88 HydrophobicContact CG2-CG 4.41Å; I84-E88 WeakPolarHBondContact O-CG 3.15Å; I84-E88 PolarHBondContact O-N 3.26Å; I84-F126 HydrophobicContact CG2-CB 3.85Å; I84-F126 HydrophobicContact CG2-CD2 4.47Å; I84-I127 HydrophobicContact CG2-CG1 4.04Å; I84-Y209 HydrophobicContact CD1-CD1 4.45Å; I84-Y209 HydrophobicContact CD1-CE1 3.91Å; I84-Y213 HydrophobicContact CB-CE1 4.39Å; I84-Y213 HydrophobicContact CB-CE2 4.44Å; I84-Y213 HydrophobicContact CG1-CD1 3.9Å; I84-Y213 HydrophobicContact CG1-CD2 3.98Å; I84-Y213 HydrophobicContact CG1-CE1 4.03Å; I84-Y213 HydrophobicContact CG1-CE2 4.1Å; I84-Y213 HydrophobicContact CG1-CG 3.89Å; I84-Y213 HydrophobicContact CG2-CE2 4.09Å; I84-Y213 PolarHBondContact O-OH 2.76Å |
| 85 | F | 92.1 | Very high | 89.9 | Confident | 112 Ų | 112 | 57.2 Ų | 57.2 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -51.8 | 178.4 | -177.8 | -98.2 | 0 | 0 | 0 | 111.7 | T81 V82 G87 E88 V89 I123 | T81-F85 VanDerWaalsContact O-CB 3.29Å; T81-F85 WeakPolarHBondContact O-CB 3.41Å; T81-F85 PolarHBondContact O-N 3.38Å; V82-F85 PolarHBondContact O-N 2.74Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-G87 PolarHBondContact O-N 2.83Å; F85-E88 PolarHBondContact O-N 3.45Å; F85-V89 HydrophobicContact CD1-CG2 4.28Å; F85-V89 HydrophobicContact CD2-CG2 4.5Å; F85-V89 HydrophobicContact CE1-CG2 3.96Å; F85-V89 HydrophobicContact CE2-CG2 4.19Å; F85-V89 HydrophobicContact CZ-CG2 3.91Å; F85-V89 WeakPolarHBondContact O-CB 3.48Å; F85-V89 VanDerWaalsContact O-CG2 3.26Å; F85-V89 WeakPolarHBondContact O-CG2 3.3Å; F85-V89 PolarHBondContact O-N 2.91Å; F85-I123 HydrophobicContact CD2-CD1 3.96Å; F85-I123 HydrophobicContact CD2-CG2 4.39Å; F85-I123 HydrophobicContact CE2-CD1 4.15Å |
| 86 | I | 91.4 | Very high | 89 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 177.5 | -66.9 | 170 | 0 | 0 | 0 | 110.5 | V82 V89 S90 | V82-I86 HydrophobicContact CG1-CD1 3.63Å; V82-I86 HydrophobicContact CG1-CG1 4.36Å; V82-I86 WeakPolarHBondContact O-CB 3.26Å; V82-I86 VanDerWaalsContact O-CG1 3.29Å; V82-I86 WeakPolarHBondContact O-CG1 3.42Å; V82-I86 PolarHBondContact O-N 2.89Å; I86-V89 PolarHBondContact O-N 2.93Å; I86-S90 WeakPolarHBondContact O-CB 3.27Å; I86-S90 PolarHBondContact O-N 3Å; I86-S90 PolarHBondContact O-OG 2.88Å |
| 87 | G | 88.5 | Confident | 88 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 19% | 0.186 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I83 I84 F85 M91 | I83-G87 PolarHBondContact O-N 3.33Å; I84-G87 PolarHBondContact O-N 2.89Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-G87 PolarHBondContact O-N 2.83Å; G87-M91 WeakPolarHBondContact O-CB 3.29Å; G87-M91 VanDerWaalsContact O-CG 3.23Å; G87-M91 WeakPolarHBondContact O-CG 3.48Å; G87-M91 PolarHBondContact O-N 2.84Å |
| 88 | E | 87.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 178.1 | -68.9 | -51.3 | 132.7 | 0 | 0 | 112.6 | I84 F85 M91 Y92 R122 I123 F126 Y213 | I84-E88 HydrophobicContact CG2-CG 4.41Å; I84-E88 WeakPolarHBondContact O-CG 3.15Å; I84-E88 PolarHBondContact O-N 3.26Å; F85-E88 PolarHBondContact O-N 3.45Å; E88-M91 PolarHBondContact O-N 3.04Å; E88-Y92 WeakPolarHBondContact O-CB 3.29Å; E88-Y92 PolarHBondContact O-N 2.79Å; E88-R122 IonicContact OE1-CZ 2.86Å; E88-R122 IonicContact OE1-NE 2.98Å; E88-R122 IonicContact OE1-NH1 3.56Å; E88-R122 IonicContact OE1-NH2 3.38Å; E88-R122 WeakPolarHBondContact OE2-CD 3.15Å; E88-R122 WeakPolarHBondContact OE2-CG 3.22Å; E88-R122 IonicContact OE2-CZ 2.79Å; E88-R122 IonicContact OE2-NE 3.63Å; E88-R122 PolarHBondContact OE2-NE 3.34Å; E88-R122 IonicContact OE2-NH1 3.84Å; E88-R122 PolarHBondContact OE2-NH1 3.32Å; E88-I123 HydrophobicContact CB-CD1 4.09Å; E88-I123 HydrophobicContact CB-CG1 3.63Å; E88-I123 HydrophobicContact CG-CG1 3.88Å; E88-F126 HydrophobicContact CG-CD2 4.28Å; E88-F126 VanDerWaalsContact OE1-CE2 3.27Å; E88-F126 WeakPolarHBondContact OE1-CE2 3.22Å; E88-Y213 PolarHBondContact N-OH 2.72Å; E88-Y213 WeakPolarHBondContact OE1-CE2 3.31Å; E88-Y213 PolarHBondContact OE1-OH 3.01Å |
| 89 | V | 87.7 | Confident | 85.8 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | F85 I86 M91 Y92 V93 L119 | F85-V89 HydrophobicContact CD1-CG2 4.28Å; F85-V89 HydrophobicContact CD2-CG2 4.5Å; F85-V89 HydrophobicContact CE1-CG2 3.96Å; F85-V89 HydrophobicContact CE2-CG2 4.19Å; F85-V89 HydrophobicContact CZ-CG2 3.91Å; F85-V89 WeakPolarHBondContact O-CB 3.48Å; F85-V89 VanDerWaalsContact O-CG2 3.26Å; F85-V89 WeakPolarHBondContact O-CG2 3.3Å; F85-V89 PolarHBondContact O-N 2.91Å; I86-V89 PolarHBondContact O-N 2.93Å; V89-M91 PolarHBondContact O-N 3.46Å; V89-Y92 PolarHBondContact O-N 2.92Å; V89-V93 HydrophobicContact CG1-CG2 4.39Å; V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.45Å; V89-L119 HydrophobicContact CG2-CD1 4.29Å |
| 90 | S | 85.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111.5 | I86 Y92 V93 M94 | I86-S90 WeakPolarHBondContact O-CB 3.27Å; I86-S90 PolarHBondContact O-N 3Å; I86-S90 PolarHBondContact O-OG 2.88Å; S90-Y92 VanDerWaalsContact C-N 3.34Å; S90-Y92 PolarHBondContact O-N 3.11Å; S90-V93 PolarHBondContact O-N 2.96Å; S90-M94 WeakPolarHBondContact O-CB 3.29Å; S90-M94 VanDerWaalsContact O-CG 3.27Å; S90-M94 WeakPolarHBondContact O-CG 3.5Å; S90-M94 PolarHBondContact O-N 3.13Å |
| 91 | M | 81.9 | Confident | 82.9 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 38% | 0.379 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.2 | -75.6 | -65.4 | -64.4 | 0 | 0 | 112.3 | G87 E88 V89 K95 | G87-M91 WeakPolarHBondContact O-CB 3.29Å; G87-M91 VanDerWaalsContact O-CG 3.23Å; G87-M91 WeakPolarHBondContact O-CG 3.48Å; G87-M91 PolarHBondContact O-N 2.84Å; E88-M91 PolarHBondContact O-N 3.04Å; V89-M91 PolarHBondContact O-N 3.46Å; M91-K95 VanDerWaalsContact O-CB 3.27Å; M91-K95 WeakPolarHBondContact O-CB 3.45Å; M91-K95 PolarHBondContact O-N 3.23Å |
| 92 | Y | 82.9 | Confident | 81.3 | Confident | 98 Ų | 98 | 79.7 Ų | 79.7 | 38% | 0.384 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 175.2 | 175.2 | -96.5 | 0 | 0 | 0 | 112 | E88 V89 S90 K95 S96 L119 | E88-Y92 WeakPolarHBondContact O-CB 3.29Å; E88-Y92 PolarHBondContact O-N 2.79Å; V89-Y92 PolarHBondContact O-N 2.92Å; S90-Y92 VanDerWaalsContact C-N 3.34Å; S90-Y92 PolarHBondContact O-N 3.11Å; Y92-K95 PolarHBondContact O-N 3.3Å; Y92-S96 VanDerWaalsContact O-CB 3.29Å; Y92-S96 WeakPolarHBondContact O-CB 3.11Å; Y92-S96 PolarHBondContact O-N 2.87Å; Y92-L119 HydrophobicContact CD1-CD1 3.79Å; Y92-L119 HydrophobicContact CD2-CB 3.96Å; Y92-L119 HydrophobicContact CD2-CD1 4.03Å; Y92-L119 HydrophobicContact CE2-CB 4.42Å; Y92-L119 HydrophobicContact CG-CB 4.27Å; Y92-L119 HydrophobicContact CG-CD1 3.44Å; Y92-L119 VanDerWaalsContact CG-CD1 3.44Å; Y92-L119 HydrophobicContact CG-CG 4.48Å |
| 93 | V | 83.2 | Confident | 79.4 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | V89 S90 K95 S96 T97 | V89-V93 HydrophobicContact CG1-CG2 4.39Å; V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.45Å; S90-V93 PolarHBondContact O-N 2.96Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 3.5Å; V93-S96 PolarHBondContact O-N 2.85Å; V93-T97 WeakPolarHBondContact O-CB 3.47Å; V93-T97 PolarHBondContact O-N 3.47Å; V93-T97 PolarHBondContact O-OG1 3.5Å |
| 94 | M | 79.4 | Confident | 77.3 | Confident | 100 Ų | 100 | 84 Ų | 84 | 49% | 0.493 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59 | -41.3 | 177 | -72.9 | 180 | 71.4 | 0 | 0 | 112.7 | S90 R98 | S90-M94 WeakPolarHBondContact O-CB 3.29Å; S90-M94 VanDerWaalsContact O-CG 3.27Å; S90-M94 WeakPolarHBondContact O-CG 3.5Å; S90-M94 PolarHBondContact O-N 3.13Å; M94-R98 WeakPolarHBondContact O-CB 3.2Å; M94-R98 VanDerWaalsContact O-CG 3.26Å; M94-R98 WeakPolarHBondContact O-CG 3.15Å; M94-R98 PolarHBondContact O-N 3.38Å |
| 95 | K | 78.1 | Confident | 75.3 | Confident | 124 Ų | 124 | 92.3 Ų | 92.3 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 177 | -177.6 | 179.2 | 169.3 | -174.7 | 0 | 111 | M91 Y92 V93 T97 R98 E99 | M91-K95 VanDerWaalsContact O-CB 3.27Å; M91-K95 WeakPolarHBondContact O-CB 3.45Å; M91-K95 PolarHBondContact O-N 3.23Å; Y92-K95 PolarHBondContact O-N 3.3Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 3.5Å; K95-T97 VanDerWaalsContact C-N 3.32Å; K95-T97 PolarHBondContact O-N 3.29Å; K95-R98 WeakPolarHBondContact O-CB 3.34Å; K95-R98 PolarHBondContact O-N 2.5Å; K95-R98 VanDerWaalsContact O-N 3.16Å; K95-E99 WeakPolarHBondContact CE-OE1 3.46Å; K95-E99 HydrophobicContact CG-CG 4.43Å; K95-E99 IonicContact NZ-OE1 2.85Å; K95-E99 WeakPolarHBondContact O-CB 3.39Å; K95-E99 WeakPolarHBondContact O-CG 3.12Å; K95-E99 PolarHBondContact O-N 2.88Å |
| 96 | S | 78.3 | Confident | 72.6 | Confident | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 177.3 | -173 | 0 | 0 | 0 | 0 | 111.5 | Y92 V93 E99 A100 | Y92-S96 VanDerWaalsContact O-CB 3.29Å; Y92-S96 WeakPolarHBondContact O-CB 3.11Å; Y92-S96 PolarHBondContact O-N 2.87Å; V93-S96 PolarHBondContact O-N 2.85Å; S96-E99 PolarHBondContact O-N 2.57Å; S96-A100 VanDerWaalsContact O-CB 3.26Å; S96-A100 WeakPolarHBondContact O-CB 3.33Å; S96-A100 PolarHBondContact O-N 3.07Å |
| 97 | T | 75.8 | Confident | 70 | Confident | 83 Ų | 83 | 97.3 Ų | 97.3 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 175.5 | -55 | 0 | 0 | 0 | 0 | 111.4 | V93 K95 A100 L101 | V93-T97 WeakPolarHBondContact O-CB 3.47Å; V93-T97 PolarHBondContact O-N 3.47Å; V93-T97 PolarHBondContact O-OG1 3.5Å; K95-T97 VanDerWaalsContact C-N 3.32Å; K95-T97 PolarHBondContact O-N 3.29Å; T97-A100 PolarHBondContact O-N 3.5Å; T97-L101 VanDerWaalsContact O-CB 3.28Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.83Å |
| 98 | R | 71.4 | Confident | 67.8 | Low | 179 Ų | 179 | 103.6 Ų | 103.6 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 174.8 | -76.8 | 179.4 | 68.9 | 151.9 | 5.6 | 112.3 | M94 K95 L101 L102 | M94-R98 WeakPolarHBondContact O-CB 3.2Å; M94-R98 VanDerWaalsContact O-CG 3.26Å; M94-R98 WeakPolarHBondContact O-CG 3.15Å; M94-R98 PolarHBondContact O-N 3.38Å; K95-R98 WeakPolarHBondContact O-CB 3.34Å; K95-R98 PolarHBondContact O-N 2.5Å; K95-R98 VanDerWaalsContact O-N 3.16Å; R98-L101 PolarHBondContact O-N 3.47Å; R98-L102 WeakPolarHBondContact O-CB 3.27Å; R98-L102 WeakPolarHBondContact O-CD1 3.34Å; R98-L102 VanDerWaalsContact O-CG 3.27Å; R98-L102 WeakPolarHBondContact O-CG 3.23Å; R98-L102 PolarHBondContact O-N 2.94Å |
| 99 | E | 72.9 | Confident | 66 | Low | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -39.2 | 175.5 | -74.7 | 177.6 | 171.5 | 0 | 0 | 110.6 | K95 S96 L102 A103 | K95-E99 WeakPolarHBondContact CE-OE1 3.46Å; K95-E99 HydrophobicContact CG-CG 4.43Å; K95-E99 IonicContact NZ-OE1 2.85Å; K95-E99 WeakPolarHBondContact O-CB 3.39Å; K95-E99 WeakPolarHBondContact O-CG 3.12Å; K95-E99 PolarHBondContact O-N 2.88Å; S96-E99 PolarHBondContact O-N 2.57Å; E99-L102 CarbonylContact O-C 3.59Å; E99-L102 PolarHBondContact O-N 2.69Å; E99-A103 WeakPolarHBondContact O-CA 3.27Å; E99-A103 WeakPolarHBondContact O-CB 3.23Å; E99-A103 PolarHBondContact O-N 3.31Å |
| 100 | A | 67.2 | Low | 63.6 | Low | 62 Ų | 62 | 113.7 Ų | 113.7 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.4 | -40.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S96 T97 L102 A103 Q104 | S96-A100 VanDerWaalsContact O-CB 3.26Å; S96-A100 WeakPolarHBondContact O-CB 3.33Å; S96-A100 PolarHBondContact O-N 3.07Å; T97-A100 PolarHBondContact O-N 3.5Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 2.9Å; A100-A103 PolarHBondContact O-N 2.91Å; A100-Q104 PolarHBondContact O-N 2.92Å |
| 101 | L | 61 | Low | 61.9 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.5 | -32.1 | 176.6 | -161 | 114.1 | 0 | 0 | 0 | 112.1 | T97 R98 | T97-L101 VanDerWaalsContact O-CB 3.28Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 PolarHBondContact O-N 2.83Å; R98-L101 PolarHBondContact O-N 3.47Å |
| 102 | L | 60.8 | Low | 59.8 | Low | 121 Ų | 121 | 117.4 Ų | 117.4 | 63% | 0.634 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.4 | -32.1 | 173.9 | -72 | 165.6 | 0 | 0 | 0 | 112.6 | R98 E99 A100 Q104 E105 | R98-L102 WeakPolarHBondContact O-CB 3.27Å; R98-L102 WeakPolarHBondContact O-CD1 3.34Å; R98-L102 VanDerWaalsContact O-CG 3.27Å; R98-L102 WeakPolarHBondContact O-CG 3.23Å; R98-L102 PolarHBondContact O-N 2.94Å; E99-L102 CarbonylContact O-C 3.59Å; E99-L102 PolarHBondContact O-N 2.69Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 2.9Å; L102-Q104 PolarHBondContact O-N 2.91Å; L102-E105 PolarHBondContact O-N 3.4Å; L102-E105 VanDerWaalsContact O-N 3.15Å |
| 103 | A | 56.4 | Low | 58.3 | Low | 50 Ų | 50 | 118.6 Ų | 118.6 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.8 | -10.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E99 A100 E105 K106 | E99-A103 WeakPolarHBondContact O-CA 3.27Å; E99-A103 WeakPolarHBondContact O-CB 3.23Å; E99-A103 PolarHBondContact O-N 3.31Å; A100-A103 PolarHBondContact O-N 2.91Å; A103-E105 PolarHBondContact O-N 3.37Å; A103-K106 CarbonylContact O-C 3.5Å; A103-K106 PolarHBondContact O-N 3.17Å |
| 104 | Q | 49.3 | Very low | 56.4 | Low | 175 Ų | 175 | 120.3 Ų | 120.3 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -11.8 | 163.2 | -162.5 | 177.4 | -29 | 0 | 0 | 112.1 | A100 L102 | A100-Q104 PolarHBondContact O-N 2.92Å; L102-Q104 PolarHBondContact O-N 2.91Å |
| 105 | E | 49 | Very low | 55.2 | Low | 174 Ų | 174 | 124.2 Ų | 124.2 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.7 | -19.8 | 173.5 | -141.5 | 178.1 | -171.2 | 0 | 0 | 115.5 | L102 A103 | L102-E105 PolarHBondContact O-N 3.4Å; L102-E105 VanDerWaalsContact O-N 3.15Å; A103-E105 PolarHBondContact O-N 3.37Å |
| 106 | K | 36.4 | Very low | 54 | Low | 175 Ų | 175 | 121.9 Ų | 121.9 | 76% | 0.761 | 67% | 0.665 | S | S | * | * | trans | -150.2 | 118.9 | 172.6 | -68.3 | -170 | -178.8 | 176.4 | 0 | 112 | A103 I108 | A103-K106 CarbonylContact O-C 3.5Å; A103-K106 PolarHBondContact O-N 3.17Å; K106-I108 PolarHBondContact O-N 3.38Å | ||
| 107 | T | 36.3 | Very low | 53.6 | Low | 136 Ų | 136 | 123.1 Ų | 123.1 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | trans | -73 | 113.2 | 172.6 | 40.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | I | 42.7 | Very low | 53.5 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | trans | -138.4 | 111.6 | 153.3 | -54.3 | 180 | 0 | 0 | 0 | 109.4 | K106 | K106-I108 PolarHBondContact O-N 3.38Š| ||
| 109 | V | 50.3 | Low | 53.8 | Low | 139 Ų | 139 | 116.4 Ų | 116.4 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | trans | -75.4 | 131 | 166.3 | 173 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 110 | T | 36.2 | Very low | 54 | Low | 125 Ų | 125 | 114.8 Ų | 114.8 | 77% | 0.767 | 64% | 0.64 | S | S | * | * | trans | -146.8 | 105.2 | 160.9 | -52.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 111 | G | 49.7 | Very low | 54.5 | Low | 49 Ų | 49 | 116.9 Ų | 116.9 | 51% | 0.505 | 64% | 0.635 | S | S | . | * | trans | -83.4 | 155.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 112 | D | 37.6 | Very low | 55.5 | Low | 162 Ų | 162 | 113.5 Ų | 113.5 | 87% | 0.866 | 61% | 0.613 | S | S | * | * | -177.5 | 150.7 | 129 | -86.7 | -21.8 | 0 | 0 | 0 | 112.5 | |||||
| 113 | C | 52.4 | Low | 56.7 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 150.2 | -166 | -162 | 0 | 0 | 0 | 0 | 113.6 | ||
| 114 | C | 43.9 | Very low | 58 | Low | 113 Ų | 113 | 110.1 Ų | 110.1 | 76% | 0.764 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.6 | 19.3 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 118.3 | ||
| 115 | Y | 52.4 | Low | 59.8 | Low | 182 Ų | 182 | 107.3 Ų | 107.3 | 71% | 0.714 | 57% | 0.569 | S | S | * | * | trans | -93.5 | 114.5 | 158.9 | -119.8 | -102.8 | 0 | 0 | 0 | 108.9 | N117 | Y115-N117 PolarHBondContact O-N 3.28Å; Y115-N117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | L | 54.7 | Low | 61.7 | Low | 74 Ų | 74 | 99.3 Ų | 99.3 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | trans | -53.7 | 127.1 | 163.5 | -78.5 | 175.3 | 0 | 0 | 0 | 107.4 | I17 I120 | I17-L116 HydrophobicContact CD1-CD1 4.24Å; L116-I120 HydrophobicContact CD2-CG2 4.37Å | ||
| 117 | N | 69.8 | Low | 64.4 | Low | 82 Ų | 82 | 93.2 Ų | 93.2 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | trans | -48.5 | 130.5 | 177.2 | -101.8 | -15.4 | 0 | 0 | 0 | 108.3 | Y115 L119 I120 R121 | Y115-N117 PolarHBondContact O-N 3.28Å; Y115-N117 VanDerWaalsContact O-N 3.15Å; N117-L119 CarbonylContact O-C 3.55Å; N117-L119 PolarHBondContact O-N 2.95Å; N117-I120 HydrophobicContact CB-CB 4.49Å; N117-I120 HydrophobicContact CB-CD1 4.03Å; N117-I120 HydrophobicContact CB-CG1 4Å; N117-I120 PolarHBondContact O-N 2.95Å; N117-R121 PolarHBondContact O-N 3.09Å | ||
| 118 | P | 72.8 | Confident | 67 | Low | 89 Ų | 89 | 88 Ų | 88 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.2 | -26 | -178 | 19.6 | -31.4 | 0 | 0 | 0 | 112.3 | R122 | P118-R122 WeakPolarHBondContact O-CB 3.45Å; P118-R122 PolarHBondContact O-N 3.38Å |
| 119 | L | 77.5 | Confident | 69.4 | Low | 32 Ų | 32 | 81.7 Ų | 81.7 | 17% | 0.168 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.9 | -52.7 | 167.6 | 173.1 | 140.7 | 0 | 0 | 0 | 112.8 | V89 Y92 N117 R121 R122 I123 | V89-L119 HydrophobicContact CG2-CD1 4.29Å; Y92-L119 HydrophobicContact CD1-CD1 3.79Å; Y92-L119 HydrophobicContact CD2-CB 3.96Å; Y92-L119 HydrophobicContact CD2-CD1 4.03Å; Y92-L119 HydrophobicContact CE2-CB 4.42Å; Y92-L119 HydrophobicContact CG-CB 4.27Å; Y92-L119 HydrophobicContact CG-CD1 3.44Å; Y92-L119 VanDerWaalsContact CG-CD1 3.44Å; Y92-L119 HydrophobicContact CG-CG 4.48Å; N117-L119 CarbonylContact O-C 3.55Å; N117-L119 PolarHBondContact O-N 2.95Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 2.84Å; L119-R122 PolarHBondContact O-N 3.29Å; L119-R122 VanDerWaalsContact O-N 3.15Å; L119-I123 HydrophobicContact CD2-CD1 3.49Å; L119-I123 VanDerWaalsContact CD2-CD1 3.49Å; L119-I123 HydrophobicContact CG-CD1 3.75Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 2.83Å |
| 120 | I | 77.4 | Confident | 71.6 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 35% | 0.349 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | -177.2 | -63 | 176.4 | 0 | 0 | 0 | 110 | L116 N117 R122 I123 I124 | L116-I120 HydrophobicContact CD2-CG2 4.37Å; N117-I120 HydrophobicContact CB-CB 4.49Å; N117-I120 HydrophobicContact CB-CD1 4.03Å; N117-I120 HydrophobicContact CB-CG1 4Å; N117-I120 PolarHBondContact O-N 2.95Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.39Å; I120-I123 PolarHBondContact O-N 3.23Å; I120-I124 HydrophobicContact CG2-CD1 3.64Å; I120-I124 HydrophobicContact CG2-CG1 4.26Å; I120-I124 WeakPolarHBondContact O-CB 3.49Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.34Å; I120-I124 PolarHBondContact O-N 3.38Å |
| 121 | R | 78.2 | Confident | 74.4 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 176.4 | -175.3 | -171.6 | -62.3 | -116.4 | 2.4 | 112.2 | N117 L119 R125 | N117-R121 PolarHBondContact O-N 3.09Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 2.84Å; R121-R125 WeakPolarHBondContact O-CB 3.33Å; R121-R125 PolarHBondContact O-N 2.89Å; R121-R125 VanDerWaalsContact O-N 3.09Å |
| 122 | R | 80.9 | Confident | 76.6 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.3 | -40 | -178.6 | -170.9 | 163.9 | -176.8 | -133.8 | 0.3 | 112.1 | E88 P118 L119 I120 R125 F126 F278 | E88-R122 IonicContact OE1-CZ 2.86Å; E88-R122 IonicContact OE1-NE 2.98Å; E88-R122 IonicContact OE1-NH1 3.56Å; E88-R122 IonicContact OE1-NH2 3.38Å; E88-R122 WeakPolarHBondContact OE2-CD 3.15Å; E88-R122 WeakPolarHBondContact OE2-CG 3.22Å; E88-R122 IonicContact OE2-CZ 2.79Å; E88-R122 IonicContact OE2-NE 3.63Å; E88-R122 PolarHBondContact OE2-NE 3.34Å; E88-R122 IonicContact OE2-NH1 3.84Å; E88-R122 PolarHBondContact OE2-NH1 3.32Å; P118-R122 WeakPolarHBondContact O-CB 3.45Å; P118-R122 PolarHBondContact O-N 3.38Å; L119-R122 PolarHBondContact O-N 3.29Å; L119-R122 VanDerWaalsContact O-N 3.15Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.39Å; R122-R125 PolarHBondContact O-N 3.42Å; R122-F126 HydrophobicContact CG-CD2 3.79Å; R122-F126 HydrophobicContact CG-CE2 3.31Å; R122-F126 HydrophobicContact CG-CZ 4Å; R122-F126 VanDerWaalsContact NE-CE2 3.25Å; R122-F126 WeakPolarHBondContact O-CD2 3.42Å; R122-F126 PolarHBondContact O-N 2.77Å; R122-F278 PolarHBondContact NH2-O 3.34Å |
| 123 | I | 85.9 | Confident | 79.4 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -50.9 | 174.1 | -69.4 | 171.7 | 0 | 0 | 0 | 110.3 | F85 E88 L119 I120 R125 F126 I127 | F85-I123 HydrophobicContact CD2-CD1 3.96Å; F85-I123 HydrophobicContact CD2-CG2 4.39Å; F85-I123 HydrophobicContact CE2-CD1 4.15Å; E88-I123 HydrophobicContact CB-CD1 4.09Å; E88-I123 HydrophobicContact CB-CG1 3.63Å; E88-I123 HydrophobicContact CG-CG1 3.88Å; L119-I123 HydrophobicContact CD2-CD1 3.49Å; L119-I123 VanDerWaalsContact CD2-CD1 3.49Å; L119-I123 HydrophobicContact CG-CD1 3.75Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 2.83Å; I120-I123 PolarHBondContact O-N 3.23Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 PolarHBondContact O-N 3.47Å; I123-F126 PolarHBondContact O-N 3.45Å; I123-I127 HydrophobicContact CG2-CD1 3.56Å; I123-I127 HydrophobicContact CG2-CG1 4.24Å; I123-I127 WeakPolarHBondContact O-CB 3.4Å; I123-I127 WeakPolarHBondContact O-CG1 3.05Å; I123-I127 PolarHBondContact O-N 3.36Å |
| 124 | I | 84.8 | Confident | 81.5 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -43.4 | 178.4 | -69.3 | 170.6 | 0 | 0 | 0 | 110.6 | I120 G128 | I120-I124 HydrophobicContact CG2-CD1 3.64Å; I120-I124 HydrophobicContact CG2-CG1 4.26Å; I120-I124 WeakPolarHBondContact O-CB 3.49Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.34Å; I120-I124 PolarHBondContact O-N 3.38Å; I124-G128 VanDerWaalsContact O-CA 3.31Å; I124-G128 WeakPolarHBondContact O-CA 3.3Å; I124-G128 PolarHBondContact O-N 2.68Å |
| 125 | R | 86.3 | Confident | 84.1 | Confident | 116 Ų | 116 | 56.9 Ų | 56.9 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 178.4 | -175.8 | 179.1 | 177.2 | -172.1 | -3.8 | 112.5 | R121 R122 I123 V129 V274 V275 | R121-R125 WeakPolarHBondContact O-CB 3.33Å; R121-R125 PolarHBondContact O-N 2.89Å; R121-R125 VanDerWaalsContact O-N 3.09Å; R122-R125 PolarHBondContact O-N 3.42Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 PolarHBondContact O-N 3.47Å; R125-V129 WeakPolarHBondContact O-CB 3.38Å; R125-V129 VanDerWaalsContact O-CG2 3.25Å; R125-V129 WeakPolarHBondContact O-CG2 3.38Å; R125-V129 PolarHBondContact O-N 2.95Å; R125-V129 VanDerWaalsContact O-N 3.08Å; R125-V274 PolarHBondContact NH2-O 3.13Å; R125-V275 PolarHBondContact NH2-O 3.23Å |
| 126 | F | 89.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.2 | -39.9 | -176.2 | -66.6 | -43 | 0 | 0 | 0 | 113.1 | I84 E88 R122 I123 F130 Y209 Y213 V275 F278 | I84-F126 HydrophobicContact CG2-CB 3.85Å; I84-F126 HydrophobicContact CG2-CD2 4.47Å; E88-F126 HydrophobicContact CG-CD2 4.28Å; E88-F126 VanDerWaalsContact OE1-CE2 3.27Å; E88-F126 WeakPolarHBondContact OE1-CE2 3.22Å; R122-F126 HydrophobicContact CG-CD2 3.79Å; R122-F126 HydrophobicContact CG-CE2 3.31Å; R122-F126 HydrophobicContact CG-CZ 4Å; R122-F126 VanDerWaalsContact NE-CE2 3.25Å; R122-F126 WeakPolarHBondContact O-CD2 3.42Å; R122-F126 PolarHBondContact O-N 2.77Å; I123-F126 PolarHBondContact O-N 3.45Å; F126-F130 VanDerWaalsContact O-CB 3.25Å; F126-F130 WeakPolarHBondContact O-CB 3.26Å; F126-F130 PolarHBondContact O-N 3.48Å; F126-F130 VanDerWaalsContact O-N 3.11Å; F126-Y209 PolarHBondContact O-OH 3Å; F126-Y213 HydrophobicContact CD2-CD2 4.47Å; F126-Y213 AromaticContact CD2-CE2 3.92Å; F126-Y213 HydrophobicContact CD2-CE2 3.92Å; F126-Y213 HydrophobicContact CE2-CE2 4.08Å; F126-Y213 HydrophobicContact CG-CE2 4.49Å; F126-V275 HydrophobicContact CD1-CG1 3.77Å; F126-V275 HydrophobicContact CE1-CG1 3.41Å; F126-V275 VanDerWaalsContact CE1-CG1 3.41Å; F126-F278 AromaticContact CD1-CD1 3.54Å; F126-F278 HydrophobicContact CD1-CD1 3.54Å; F126-F278 AromaticContact CD1-CE1 3.59Å; F126-F278 HydrophobicContact CD1-CE1 3.59Å; F126-F278 HydrophobicContact CE1-CB 4.45Å; F126-F278 AromaticContact CE1-CD1 3.28Å; F126-F278 HydrophobicContact CE1-CD1 3.28Å; F126-F278 AromaticContact CE1-CE1 3.85Å; F126-F278 HydrophobicContact CE1-CE1 3.85Å; F126-F278 HydrophobicContact CE1-CG 4.18Å; F126-F278 HydrophobicContact CG-CD1 4.33Å; F126-F278 HydrophobicContact CG-CE1 4.32Å; F126-F278 AromaticContact CZ-CD1 3.85Å; F126-F278 HydrophobicContact CZ-CD1 3.85Å |
| 127 | I | 92.3 | Very high | 88.2 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.6 | -40.3 | 176.2 | -67 | -177.2 | 0 | 0 | 0 | 110.4 | T81 I84 I123 F130 A131 | T81-I127 HydrophobicContact CG2-CD1 4.24Å; T81-I127 HydrophobicContact CG2-CG1 4.2Å; T81-I127 HydrophobicContact CG2-CG2 3.79Å; I84-I127 HydrophobicContact CG2-CG1 4.04Å; I123-I127 HydrophobicContact CG2-CD1 3.56Å; I123-I127 HydrophobicContact CG2-CG1 4.24Å; I123-I127 WeakPolarHBondContact O-CB 3.4Å; I123-I127 WeakPolarHBondContact O-CG1 3.05Å; I123-I127 PolarHBondContact O-N 3.36Å; I127-F130 WeakPolarHBondContact O-CB 3.35Å; I127-F130 PolarHBondContact O-N 3.31Å; I127-A131 WeakPolarHBondContact O-CB 3.48Å; I127-A131 PolarHBondContact O-N 3.34Å |
| 128 | G | 91.6 | Very high | 89.5 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -48.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I124 F130 A131 F132 | I124-G128 VanDerWaalsContact O-CA 3.31Å; I124-G128 WeakPolarHBondContact O-CA 3.3Å; I124-G128 PolarHBondContact O-N 2.68Å; G128-F130 VanDerWaalsContact C-N 3.32Å; G128-F130 PolarHBondContact O-N 2.93Å; G128-A131 PolarHBondContact O-N 3.48Å; G128-F132 WeakPolarHBondContact O-CB 3.26Å; G128-F132 PolarHBondContact O-N 2.9Å |
| 129 | V | 92.9 | Very high | 90.6 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 176.6 | 176.6 | 0 | 0 | 0 | 0 | 112 | R125 G133 Y209 L270 V274 V275 | R125-V129 WeakPolarHBondContact O-CB 3.38Å; R125-V129 VanDerWaalsContact O-CG2 3.25Å; R125-V129 WeakPolarHBondContact O-CG2 3.38Å; R125-V129 PolarHBondContact O-N 2.95Å; R125-V129 VanDerWaalsContact O-N 3.08Å; V129-G133 PolarHBondContact O-N 3.01Å; V129-Y209 HydrophobicContact CG1-CE2 4.25Å; V129-L270 HydrophobicContact CG1-CB 4.01Å; V129-L270 HydrophobicContact CG1-CD1 4.5Å; V129-L270 HydrophobicContact CG1-CD2 4.47Å; V129-V274 HydrophobicContact CG1-CG1 4.4Å; V129-V274 HydrophobicContact CG2-CG1 4.2Å; V129-V275 HydrophobicContact CB-CG2 4.13Å; V129-V275 HydrophobicContact CG1-CG2 3.68Å; V129-V275 HydrophobicContact CG2-CG2 4.27Å |
| 130 | F | 95.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 173.8 | 173 | -109.5 | 0 | 0 | 0 | 112 | V76 P80 T81 F126 I127 G128 F132 G133 L134 Y205 Y209 | V76-F130 WeakPolarHBondContact O-CZ 2.91Å; P80-F130 HydrophobicContact CB-CD1 4.45Å; P80-F130 HydrophobicContact CB-CD2 4.33Å; P80-F130 HydrophobicContact CB-CE1 3.95Å; P80-F130 HydrophobicContact CB-CE2 3.81Å; P80-F130 HydrophobicContact CB-CZ 3.61Å; P80-F130 HydrophobicContact CG-CE1 4.19Å; P80-F130 HydrophobicContact CG-CE2 3.82Å; P80-F130 HydrophobicContact CG-CZ 3.48Å; P80-F130 VanDerWaalsContact CG-CZ 3.48Å; T81-F130 HydrophobicContact CG2-CD1 4.18Å; T81-F130 HydrophobicContact CG2-CE1 4.33Å; F126-F130 VanDerWaalsContact O-CB 3.25Å; F126-F130 WeakPolarHBondContact O-CB 3.26Å; F126-F130 PolarHBondContact O-N 3.48Å; F126-F130 VanDerWaalsContact O-N 3.11Å; I127-F130 WeakPolarHBondContact O-CB 3.35Å; I127-F130 PolarHBondContact O-N 3.31Å; G128-F130 VanDerWaalsContact C-N 3.32Å; G128-F130 PolarHBondContact O-N 2.93Å; F130-F132 VanDerWaalsContact C-N 3.35Å; F130-F132 PolarHBondContact O-N 3.47Å; F130-G133 PolarHBondContact O-N 2.95Å; F130-L134 HydrophobicContact CD1-CD1 4.17Å; F130-L134 HydrophobicContact CE1-CD1 3.4Å; F130-L134 VanDerWaalsContact CE1-CD1 3.4Å; F130-L134 HydrophobicContact CE1-CG 4.13Å; F130-L134 HydrophobicContact CE2-CD1 4.18Å; F130-L134 HydrophobicContact CE2-CD2 4.35Å; F130-L134 HydrophobicContact CE2-CG 4.05Å; F130-L134 HydrophobicContact CZ-CD1 3.4Å; F130-L134 HydrophobicContact CZ-CD2 4.13Å; F130-L134 HydrophobicContact CZ-CG 3.77Å; F130-L134 PolarHBondContact O-N 2.96Å; F130-Y205 WeakPolarHBondContact CA-OH 3.39Å; F130-Y205 AromaticContact CD2-CE1 3.79Å; F130-Y205 HydrophobicContact CD2-CE1 3.79Å; F130-Y205 HydrophobicContact CE2-CD1 4.33Å; F130-Y205 AromaticContact CE2-CE1 3.68Å; F130-Y205 HydrophobicContact CE2-CE1 3.68Å; F130-Y205 PolarHBondContact O-OH 3.37Å; F130-Y209 HydrophobicContact CB-CD1 4.13Å; F130-Y209 HydrophobicContact CB-CE1 3.61Å; F130-Y209 AromaticContact CD2-CD1 3.56Å; F130-Y209 HydrophobicContact CD2-CD1 3.56Å; F130-Y209 AromaticContact CD2-CE1 3.97Å; F130-Y209 HydrophobicContact CD2-CE1 3.97Å; F130-Y209 AromaticContact CD2-CG 3.92Å; F130-Y209 HydrophobicContact CD2-CG 3.92Å; F130-Y209 HydrophobicContact CE2-CD1 4.43Å; F130-Y209 HydrophobicContact CG-CD1 4.2Å; F130-Y209 HydrophobicContact CG-CE1 4.15Å |
| 131 | A | 96 | Very high | 92.4 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 21% | 0.207 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M24 I127 G128 G133 L134 F135 | M24-A131 HydrophobicContact CE-CB 3.78Å; I127-A131 WeakPolarHBondContact O-CB 3.48Å; I127-A131 PolarHBondContact O-N 3.34Å; G128-A131 PolarHBondContact O-N 3.48Å; A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.7Å; A131-L134 WeakPolarHBondContact O-CB 3.41Å; A131-L134 PolarHBondContact O-N 3.24Å; A131-F135 WeakPolarHBondContact O-CD2 3.02Å; A131-F135 PolarHBondContact O-N 3.03Å; A131-F135 VanDerWaalsContact O-N 3.09Å |
| 132 | F | 95.5 | Very high | 93.2 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 29% | 0.285 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -54.4 | -48.5 | 174.4 | 176.6 | -102.5 | 0 | 0 | 0 | 111.4 | I23 M24 T27 G128 F130 F135 A136 L270 | I23-F132 HydrophobicContact CG2-CD2 4.3Å; I23-F132 HydrophobicContact CG2-CE2 3.92Å; M24-F132 HydrophobicContact CE-CB 4.39Å; M24-F132 HydrophobicContact SD-CB 3.52Å; M24-F132 VanDerWaalsContact SD-CB 3.52Å; M24-F132 HydrophobicContact SD-CD2 3.96Å; M24-F132 HydrophobicContact SD-CG 4.23Å; T27-F132 HydrophobicContact CG2-CD2 4.03Å; T27-F132 HydrophobicContact CG2-CE2 3.67Å; G128-F132 WeakPolarHBondContact O-CB 3.26Å; G128-F132 PolarHBondContact O-N 2.9Å; F130-F132 VanDerWaalsContact C-N 3.35Å; F130-F132 PolarHBondContact O-N 3.47Å; F132-F135 PolarHBondContact O-N 3.02Å; F132-A136 VanDerWaalsContact O-CB 3.3Å; F132-A136 WeakPolarHBondContact O-CB 3.12Å; F132-A136 PolarHBondContact O-N 2.98Å; F132-L270 HydrophobicContact CD1-CD1 4.14Å; F132-L270 HydrophobicContact CD1-CD2 4.05Å; F132-L270 HydrophobicContact CE1-CD2 4.08Å |
| 133 | G | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -30.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V129 F130 A131 T137 Y205 | V129-G133 PolarHBondContact O-N 3.01Å; F130-G133 PolarHBondContact O-N 2.95Å; A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.7Å; G133-T137 WeakPolarHBondContact O-CB 3.41Å; G133-T137 PolarHBondContact O-N 3.49Å; G133-T137 PolarHBondContact O-OG1 3.3Å; G133-Y205 VanDerWaalsContact C-CZ 3.43Å; G133-Y205 VanDerWaalsContact CA-OH 3.27Å; G133-Y205 WeakPolarHBondContact CA-OH 3.22Å |
| 134 | L | 97.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.2 | -53.3 | 170.1 | -81.1 | 178.4 | 0 | 0 | 0 | 111 | V76 A77 F130 A131 A136 T137 D138 L202 Y205 | V76-L134 HydrophobicContact CG1-CD2 3.75Å; A77-L134 HydrophobicContact CB-CD1 4.14Å; F130-L134 HydrophobicContact CD1-CD1 4.17Å; F130-L134 HydrophobicContact CE1-CD1 3.4Å; F130-L134 VanDerWaalsContact CE1-CD1 3.4Å; F130-L134 HydrophobicContact CE1-CG 4.13Å; F130-L134 HydrophobicContact CE2-CD1 4.18Å; F130-L134 HydrophobicContact CE2-CD2 4.35Å; F130-L134 HydrophobicContact CE2-CG 4.05Å; F130-L134 HydrophobicContact CZ-CD1 3.4Å; F130-L134 HydrophobicContact CZ-CD2 4.13Å; F130-L134 HydrophobicContact CZ-CG 3.77Å; F130-L134 PolarHBondContact O-N 2.96Å; A131-L134 WeakPolarHBondContact O-CB 3.41Å; A131-L134 PolarHBondContact O-N 3.24Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 3.48Å; L134-T137 PolarHBondContact O-N 2.8Å; L134-D138 PolarHBondContact O-N 2.87Å; L134-L202 HydrophobicContact CD2-CD2 4.37Å; L134-Y205 HydrophobicContact CB-CE1 4.35Å; L134-Y205 HydrophobicContact CD2-CD1 3.51Å; L134-Y205 HydrophobicContact CD2-CE1 3.73Å; L134-Y205 HydrophobicContact CG-CD1 4.05Å; L134-Y205 HydrophobicContact CG-CE1 3.71Å |
| 135 | F | 97 | Very high | 94.7 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 32% | 0.316 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 179.1 | -71.2 | -65.9 | 0 | 0 | 0 | 112.3 | M24 V28 A31 A131 F132 T137 D138 I139 | M24-F135 HydrophobicContact CE-CD2 4.18Å; V28-F135 HydrophobicContact CG2-CD1 4.3Å; V28-F135 HydrophobicContact CG2-CD2 3.77Å; V28-F135 HydrophobicContact CG2-CE1 4.07Å; V28-F135 HydrophobicContact CG2-CE2 3.53Å; V28-F135 HydrophobicContact CG2-CG 4.18Å; V28-F135 HydrophobicContact CG2-CZ 3.69Å; A31-F135 HydrophobicContact CB-CD1 3.93Å; A131-F135 WeakPolarHBondContact O-CD2 3.02Å; A131-F135 PolarHBondContact O-N 3.03Å; A131-F135 VanDerWaalsContact O-N 3.09Å; F132-F135 PolarHBondContact O-N 3.02Å; F135-T137 VanDerWaalsContact C-N 3.34Å; F135-T137 PolarHBondContact O-N 3.34Å; F135-D138 WeakPolarHBondContact O-CB 3.46Å; F135-D138 PolarHBondContact O-N 3.38Å; F135-I139 WeakPolarHBondContact O-CD1 3.38Å; F135-I139 VanDerWaalsContact O-CG1 3.23Å; F135-I139 WeakPolarHBondContact O-CG1 3.37Å; F135-I139 PolarHBondContact O-N 3.31Å |
| 136 | A | 96.8 | Very high | 95 | Very high | 13 Ų | 13 | 27 Ų | 27 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F132 L134 D138 I139 F140 | F132-A136 VanDerWaalsContact O-CB 3.3Å; F132-A136 WeakPolarHBondContact O-CB 3.12Å; F132-A136 PolarHBondContact O-N 2.98Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-A136 PolarHBondContact O-N 3.48Å; A136-D138 VanDerWaalsContact C-N 3.34Å; A136-D138 PolarHBondContact O-N 2.95Å; A136-I139 PolarHBondContact O-N 3.01Å; A136-F140 WeakPolarHBondContact O-CD2 3.42Å; A136-F140 PolarHBondContact O-N 3.3Å |
| 137 | T | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 177 | -56.6 | 0 | 0 | 0 | 0 | 111 | G133 L134 F135 F140 V141 L202 I266 | G133-T137 WeakPolarHBondContact O-CB 3.41Å; G133-T137 PolarHBondContact O-N 3.49Å; G133-T137 PolarHBondContact O-OG1 3.3Å; L134-T137 PolarHBondContact O-N 2.8Å; F135-T137 VanDerWaalsContact C-N 3.34Å; F135-T137 PolarHBondContact O-N 3.34Å; T137-F140 PolarHBondContact O-N 2.91Å; T137-V141 VanDerWaalsContact O-CG2 3.3Å; T137-V141 WeakPolarHBondContact O-CG2 3.3Å; T137-V141 PolarHBondContact O-N 3.11Å; T137-L202 HydrophobicContact CG2-CD2 3.94Å; T137-I266 HydrophobicContact CG2-CD1 4.29Å; T137-I266 WeakPolarHBondContact OG1-CD1 3.24Å |
| 138 | D | 96.2 | Very high | 95.2 | Very high | 20 Ų | 20 | 32 Ų | 32 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 175.1 | -175.3 | 66.8 | 0 | 0 | 0 | 112.1 | L134 F135 A136 F140 V141 N142 K198 L202 | L134-D138 PolarHBondContact O-N 2.87Å; F135-D138 WeakPolarHBondContact O-CB 3.46Å; F135-D138 PolarHBondContact O-N 3.38Å; A136-D138 VanDerWaalsContact C-N 3.34Å; A136-D138 PolarHBondContact O-N 2.95Å; D138-F140 PolarHBondContact O-N 3.48Å; D138-V141 PolarHBondContact O-N 2.91Å; D138-N142 WeakPolarHBondContact O-CB 3.45Å; D138-N142 PolarHBondContact O-N 3.49Å; D138-N142 PolarHBondContact OD2-ND2 3.34Å; D138-K198 WeakPolarHBondContact OD1-CE 3.18Å; D138-K198 IonicContact OD1-NZ 3.85Å; D138-K198 PolarHBondContact OD1-NZ 3.38Å; D138-L202 HydrophobicContact CB-CD2 4.36Å |
| 139 | I | 95.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 177.6 | -68.4 | 160.5 | 0 | 0 | 0 | 111.5 | L30 A31 F135 A136 V141 N142 A143 | L30-I139 HydrophobicContact CB-CD1 4.27Å; L30-I139 HydrophobicContact CD2-CD1 4.06Å; L30-I139 HydrophobicContact CD2-CG2 4.27Å; L30-I139 HydrophobicContact CG-CD1 4.15Å; L30-I139 HydrophobicContact CG-CG1 4.4Å; A31-I139 HydrophobicContact CB-CD1 4.32Å; A31-I139 HydrophobicContact CB-CG1 3.97Å; F135-I139 WeakPolarHBondContact O-CD1 3.38Å; F135-I139 VanDerWaalsContact O-CG1 3.23Å; F135-I139 WeakPolarHBondContact O-CG1 3.37Å; F135-I139 PolarHBondContact O-N 3.31Å; A136-I139 PolarHBondContact O-N 3.01Å; I139-V141 VanDerWaalsContact C-N 3.34Å; I139-V141 PolarHBondContact O-N 2.72Å; I139-N142 PolarHBondContact O-N 3.08Å; I139-A143 VanDerWaalsContact O-CB 3.27Å; I139-A143 WeakPolarHBondContact O-CB 3.37Å; I139-A143 PolarHBondContact O-N 3.22Å |
| 140 | F | 96.7 | Very high | 95.3 | Very high | 125 Ų | 125 | 30.2 Ų | 30.2 | 55% | 0.548 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.9 | -39.9 | -179.6 | -84.1 | -68 | 0 | 0 | 0 | 112.3 | A136 T137 D138 G144 L262 I266 | A136-F140 WeakPolarHBondContact O-CD2 3.42Å; A136-F140 PolarHBondContact O-N 3.3Å; T137-F140 PolarHBondContact O-N 2.91Å; D138-F140 PolarHBondContact O-N 3.48Å; F140-G144 PolarHBondContact O-N 3.46Å; F140-L262 HydrophobicContact CB-CD1 4.29Å; F140-L262 HydrophobicContact CB-CD2 4.16Å; F140-I266 HydrophobicContact CD2-CD1 3.87Å |
| 141 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -52.4 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | T137 D138 I139 A143 G144 Q145 P196 K198 S201 L262 | T137-V141 VanDerWaalsContact O-CG2 3.3Å; T137-V141 WeakPolarHBondContact O-CG2 3.3Å; T137-V141 PolarHBondContact O-N 3.11Å; D138-V141 PolarHBondContact O-N 2.91Å; I139-V141 VanDerWaalsContact C-N 3.34Å; I139-V141 PolarHBondContact O-N 2.72Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.36Å; V141-G144 CarbonylContact O-C 3.54Å; V141-G144 WeakPolarHBondContact O-CA 3.43Å; V141-G144 PolarHBondContact O-N 2.9Å; V141-Q145 HydrophobicContact CG1-CG 4.24Å; V141-Q145 WeakPolarHBondContact O-CG 3.38Å; V141-Q145 PolarHBondContact O-N 3.49Å; V141-P196 HydrophobicContact CB-CG 4.45Å; V141-P196 HydrophobicContact CG1-CG 4.28Å; V141-P196 HydrophobicContact CG2-CG 4.29Å; V141-K198 HydrophobicContact CG1-CB 3.66Å; V141-K198 HydrophobicContact CG1-CG 4.1Å; V141-S201 WeakPolarHBondContact CG2-OG 3.48Å; V141-L262 HydrophobicContact CG2-CD2 3.69Å |
| 142 | N | 94.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -42 | -178.4 | -80.9 | -21.5 | 0 | 0 | 0 | 111.2 | M34 E35 D138 I139 G144 Q145 V146 | M34-N142 HydrophobicContact CB-CB 4.2Å; M34-N142 HydrophobicContact CE-CB 3.96Å; E35-N142 PolarHBondContact OE2-ND2 2.9Å; E35-N142 PolarHBondContact OE2-OD1 3.44Å; D138-N142 WeakPolarHBondContact O-CB 3.45Å; D138-N142 PolarHBondContact O-N 3.49Å; D138-N142 PolarHBondContact OD2-ND2 3.34Å; I139-N142 PolarHBondContact O-N 3.08Å; N142-G144 PolarHBondContact O-N 2.83Å; N142-Q145 PolarHBondContact O-N 3.04Å; N142-V146 WeakPolarHBondContact O-CG2 3.46Å; N142-V146 PolarHBondContact O-N 3.02Å |
| 143 | A | 93.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 26.9 Ų | 26.9 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M34 I139 V141 Q145 V146 V147 | M34-A143 HydrophobicContact CE-CB 4.04Å; I139-A143 VanDerWaalsContact O-CB 3.27Å; I139-A143 WeakPolarHBondContact O-CB 3.37Å; I139-A143 PolarHBondContact O-N 3.22Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.36Å; A143-Q145 PolarHBondContact O-N 2.78Å; A143-V146 PolarHBondContact O-N 3.45Å; A143-V147 VanDerWaalsContact O-CB 3.29Å; A143-V147 WeakPolarHBondContact O-CB 3.13Å; A143-V147 WeakPolarHBondContact O-CG2 3.38Å; A143-V147 PolarHBondContact O-N 3.46Å |
| 144 | G | 94.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F140 V141 N142 V147 T148 F195 | F140-G144 PolarHBondContact O-N 3.46Å; V141-G144 CarbonylContact O-C 3.54Å; V141-G144 WeakPolarHBondContact O-CA 3.43Å; V141-G144 PolarHBondContact O-N 2.9Å; N142-G144 PolarHBondContact O-N 2.83Å; G144-V147 PolarHBondContact O-N 3.05Å; G144-T148 WeakPolarHBondContact O-CB 3.24Å; G144-T148 WeakPolarHBondContact O-CG2 3.4Å; G144-T148 PolarHBondContact O-N 2.7Å; G144-T148 PolarHBondContact O-OG1 2.87Å; G144-F195 CarbonylContact C-O 3.03Å |
| 145 | Q | 94.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 178.9 | -71.8 | 178.9 | -11.4 | 0 | 0 | 112.1 | V141 N142 A143 G149 R193 F195 P196 | V141-Q145 HydrophobicContact CG1-CG 4.24Å; V141-Q145 WeakPolarHBondContact O-CG 3.38Å; V141-Q145 PolarHBondContact O-N 3.49Å; N142-Q145 PolarHBondContact O-N 3.04Å; A143-Q145 PolarHBondContact O-N 2.78Å; Q145-G149 WeakPolarHBondContact O-CA 3.18Å; Q145-G149 PolarHBondContact O-N 3.49Å; Q145-R193 HydrophobicContact CB-CB 4.04Å; Q145-R193 HydrophobicContact CB-CG 4.39Å; Q145-R193 HydrophobicContact CG-CB 4.3Å; Q145-R193 WeakPolarHBondContact CG-O 3.14Å; Q145-R193 PolarHBondContact NE2-O 3.35Å; Q145-F195 WeakPolarHBondContact CA-O 3.41Å; Q145-F195 WeakPolarHBondContact CG-O 3.41Å; Q145-F195 PolarHBondContact N-O 2.78Å; Q145-P196 PolarHBondContact NE2-O 2.85Å; Q145-P196 VanDerWaalsContact NE2-O 3.1Å |
| 146 | V | 93.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 23 Ų | 23 | 12% | 0.121 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | F40 G41 H43 N142 A143 | F40-V146 HydrophobicContact CB-CG1 3.67Å; G41-V146 WeakPolarHBondContact O-CG1 3.46Å; H43-V146 WeakPolarHBondContact CB-O 3.27Å; H43-V146 PolarHBondContact N-O 3.19Å; N142-V146 WeakPolarHBondContact O-CG2 3.46Å; N142-V146 PolarHBondContact O-N 3.02Å; A143-V146 PolarHBondContact O-N 3.45Å |
| 147 | V | 93.1 | Very high | 94.9 | Very high | 108 Ų | 108 | 24.3 Ų | 24.3 | 66% | 0.655 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -70.9 | -41.2 | -177.8 | 169.7 | 0 | 0 | 0 | 0 | 112 | H43 A143 G144 | H43-V147 WeakPolarHBondContact CB-O 3.46Å; A143-V147 VanDerWaalsContact O-CB 3.29Å; A143-V147 WeakPolarHBondContact O-CB 3.13Å; A143-V147 WeakPolarHBondContact O-CG2 3.38Å; A143-V147 PolarHBondContact O-N 3.46Å; G144-V147 PolarHBondContact O-N 3.05Å |
| 148 | T | 93.2 | Very high | 94.8 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 30% | 0.301 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -84.4 | -35.2 | -176.7 | 62 | 0 | 0 | 0 | 0 | 112.7 | G144 G150 F195 | G144-T148 WeakPolarHBondContact O-CB 3.24Å; G144-T148 WeakPolarHBondContact O-CG2 3.4Å; G144-T148 PolarHBondContact O-N 2.7Å; G144-T148 PolarHBondContact O-OG1 2.87Å; T148-G150 PolarHBondContact O-N 3.34Å; T148-F195 HydrophobicContact CG2-CD1 3.82Å; T148-F195 HydrophobicContact CG2-CE1 4.16Å; T148-F195 PolarHBondContact OG1-O 3.34Å; T148-F195 VanDerWaalsContact OG1-O 3.08Å |
| 149 | G | 92.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 63.9 | 28.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H43 Q145 L151 R192 | H43-G149 VanDerWaalsContact O-CA 3.27Å; H43-G149 WeakPolarHBondContact O-CA 3.47Å; Q145-G149 WeakPolarHBondContact O-CA 3.18Å; Q145-G149 PolarHBondContact O-N 3.49Å; G149-L151 PolarHBondContact O-N 2.89Å; G149-R192 CarbonylContact C-O 3.46Å; G149-R192 WeakPolarHBondContact CA-O 3.4Å | ||
| 150 | G | 94.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 127 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T148 R192 S194 | T148-G150 PolarHBondContact O-N 3.34Å; G150-R192 PolarHBondContact N-O 3.44Å; G150-R192 CarbonylContact O-C 3.41Å; G150-R192 WeakPolarHBondContact O-CA 3.39Å; G150-S194 VanDerWaalsContact O-CB 3.25Å; G150-S194 WeakPolarHBondContact O-CB 3.35Å; G150-S194 PolarHBondContact O-N 3.2Å |
| 151 | L | 95.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 7% | 0.073 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 135 | -178.5 | -53.1 | 178 | 0 | 0 | 0 | 111 | F47 L54 G149 F155 R192 H252 | F47-L151 HydrophobicContact CB-CD1 3.59Å; F47-L151 HydrophobicContact CD1-CD1 4.17Å; F47-L151 HydrophobicContact CG-CD1 4.21Å; L54-L151 HydrophobicContact CD1-CB 4.4Å; L54-L151 HydrophobicContact CD1-CD1 3.83Å; L54-L151 HydrophobicContact CD2-CB 3.87Å; G149-L151 PolarHBondContact O-N 2.89Å; L151-F155 HydrophobicContact CB-CB 4.24Å; L151-F155 HydrophobicContact CB-CG 4.25Å; L151-F155 HydrophobicContact CD1-CD1 4.13Å; L151-F155 HydrophobicContact CD1-CE1 4.28Å; L151-F155 HydrophobicContact CD2-CD1 4.24Å; L151-F155 HydrophobicContact CD2-CD2 3.89Å; L151-F155 HydrophobicContact CD2-CE1 4.27Å; L151-F155 HydrophobicContact CD2-CE2 3.92Å; L151-F155 HydrophobicContact CD2-CG 4.06Å; L151-F155 HydrophobicContact CD2-CZ 4.13Å; L151-R192 HydrophobicContact CD2-CB 4.45Å; L151-R192 HydrophobicContact CD2-CG 3.82Å; L151-H252 PolarHBondContact O-CD2 2.83Å; L151-H252 PolarHBondContact O-NE2 2.98Å |
| 152 | S | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 155.3 | 173.8 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | L54 Y154 F155 A191 R250 | L54-S152 WeakPolarHBondContact CD2-O 3.29Å; S152-Y154 PolarHBondContact O-N 3Å; S152-Y154 WeakPolarHBondContact OG-CE1 3.33Å; S152-F155 WeakPolarHBondContact O-CB 3.34Å; S152-F155 PolarHBondContact O-N 3.1Å; S152-A191 WeakPolarHBondContact CB-O 2.99Å; S152-A191 PolarHBondContact N-O 3.29Å; S152-A191 WeakPolarHBondContact OG-CA 3.49Å; S152-A191 WeakPolarHBondContact OG-CB 3.27Å; S152-A191 PolarHBondContact OG-O 2.95Å; S152-R250 WeakPolarHBondContact CB-O 3.27Å |
| 153 | P | 96.8 | Very high | 93 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.4 | 178.6 | -22.7 | 27.7 | 0 | 0 | 0 | 115.2 | E53 L54 M55 K56 Y249 | E53-P153 VanDerWaalsContact O-CA 3.3Å; E53-P153 WeakPolarHBondContact O-CA 3.33Å; E53-P153 VanDerWaalsContact O-O 3.12Å; L54-P153 CarbonylContact C-O 3.04Å; L54-P153 WeakPolarHBondContact CA-O 3.33Å; M55-P153 PolarHBondContact N-O 3.32Å; K56-P153 HydrophobicContact CB-CB 4.17Å; K56-P153 WeakPolarHBondContact CB-O 3.27Å; K56-P153 HydrophobicContact CG-CB 3.72Å; K56-P153 WeakPolarHBondContact CG-O 3.44Å; K56-P153 PolarHBondContact N-O 3.33Å; P153-Y249 WeakPolarHBondContact CB-O 3.49Å; P153-Y249 WeakPolarHBondContact CD-O 3.38Å; P153-Y249 VanDerWaalsContact CG-O 3.27Å; P153-Y249 WeakPolarHBondContact CG-O 3.33Å |
| 154 | Y | 95.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 36 Ų | 36 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 3.5 | 177.3 | 68 | -95.1 | 0 | 0 | 0 | 113.7 | L54 K56 Y58 P59 S152 L156 S157 V158 A191 Y249 R250 | L54-Y154 CarbonylContact O-C 2.89Å; K56-Y154 WeakPolarHBondContact O-CA 3.24Å; Y58-Y154 AromaticContact CD2-CD2 3.58Å; Y58-Y154 HydrophobicContact CD2-CD2 3.58Å; Y58-Y154 AromaticContact CD2-CE2 3.75Å; Y58-Y154 HydrophobicContact CD2-CE2 3.75Å; Y58-Y154 HydrophobicContact CD2-CG 4.29Å; Y58-Y154 HydrophobicContact CE2-CD2 4.19Å; Y58-Y154 AromaticContact CE2-CE2 3.86Å; Y58-Y154 HydrophobicContact CE2-CE2 3.86Å; P59-Y154 HydrophobicContact CG-CD1 4.11Å; P59-Y154 HydrophobicContact CG-CE1 4.33Å; S152-Y154 PolarHBondContact O-N 3Å; S152-Y154 WeakPolarHBondContact OG-CE1 3.33Å; Y154-L156 PolarHBondContact O-N 2.95Å; Y154-S157 WeakPolarHBondContact O-CB 3.29Å; Y154-S157 PolarHBondContact O-N 3.48Å; Y154-S157 VanDerWaalsContact O-N 3.07Å; Y154-S157 PolarHBondContact O-OG 3.41Å; Y154-V158 HydrophobicContact CD2-CG1 3.84Å; Y154-V158 HydrophobicContact CD2-CG2 4.01Å; Y154-V158 HydrophobicContact CE2-CG1 4.14Å; Y154-V158 HydrophobicContact CE2-CG2 4.12Å; Y154-V158 PolarHBondContact O-N 3Å; Y154-A191 HydrophobicContact CD2-CB 4.34Å; Y154-A191 HydrophobicContact CE2-CB 3.65Å; Y154-Y249 WeakPolarHBondContact CD1-O 3.21Å; Y154-R250 HydrophobicContact CE1-CG 4.4Å |
| 155 | F | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53 | -46.4 | -170.5 | 171 | -98.4 | 0 | 0 | 0 | 114.3 | F47 L54 L151 S152 S157 V158 C159 V188 A191 R192 | F47-F155 AromaticContact CD1-CE1 3.67Å; F47-F155 HydrophobicContact CD1-CE1 3.67Å; F47-F155 HydrophobicContact CD1-CZ 4.14Å; F47-F155 HydrophobicContact CD2-CE1 4.15Å; F47-F155 AromaticContact CE1-CE1 3.52Å; F47-F155 HydrophobicContact CE1-CE1 3.52Å; F47-F155 AromaticContact CE1-CZ 3.72Å; F47-F155 HydrophobicContact CE1-CZ 3.72Å; F47-F155 HydrophobicContact CE2-CE1 4.01Å; F47-F155 AromaticContact CG-CE1 3.96Å; F47-F155 HydrophobicContact CG-CE1 3.96Å; F47-F155 AromaticContact CZ-CE1 3.66Å; F47-F155 HydrophobicContact CZ-CE1 3.66Å; F47-F155 HydrophobicContact CZ-CZ 4.05Å; L54-F155 PolarHBondContact O-N 3Å; L151-F155 HydrophobicContact CB-CB 4.24Å; L151-F155 HydrophobicContact CB-CG 4.25Å; L151-F155 HydrophobicContact CD1-CD1 4.13Å; L151-F155 HydrophobicContact CD1-CE1 4.28Å; L151-F155 HydrophobicContact CD2-CD1 4.24Å; L151-F155 HydrophobicContact CD2-CD2 3.89Å; L151-F155 HydrophobicContact CD2-CE1 4.27Å; L151-F155 HydrophobicContact CD2-CE2 3.92Å; L151-F155 HydrophobicContact CD2-CG 4.06Å; L151-F155 HydrophobicContact CD2-CZ 4.13Å; S152-F155 WeakPolarHBondContact O-CB 3.34Å; S152-F155 PolarHBondContact O-N 3.1Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.43Å; F155-V158 WeakPolarHBondContact O-CG2 3.22Å; F155-V158 PolarHBondContact O-N 3.31Å; F155-C159 HydrophobicContact CE1-CB 4.06Å; F155-C159 HydrophobicContact CE2-CB 4.3Å; F155-C159 HydrophobicContact CZ-CB 3.94Å; F155-C159 VanDerWaalsContact O-CB 3.24Å; F155-C159 WeakPolarHBondContact O-CB 3.37Å; F155-C159 PolarHBondContact O-N 3.44Å; F155-V188 HydrophobicContact CE2-CG1 4.03Å; F155-A191 HydrophobicContact CB-CB 4.38Å; F155-A191 HydrophobicContact CD2-CB 3.88Å; F155-R192 HydrophobicContact CD2-CG 4.21Å; F155-R192 HydrophobicContact CE2-CG 3.81Å |
| 156 | L | 93.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68 | -30.5 | -178 | -71.4 | 174.2 | 0 | 0 | 0 | 112.3 | F47 D51 L54 M55 Y154 V158 K160 P161 | F47-L156 HydrophobicContact CD2-CD2 3.69Å; F47-L156 HydrophobicContact CE2-CD2 3.56Å; F47-L156 HydrophobicContact CZ-CD2 4.5Å; D51-L156 HydrophobicContact CB-CD1 4.19Å; L54-L156 HydrophobicContact CB-CB 4.49Å; L54-L156 HydrophobicContact CB-CD1 3.8Å; L54-L156 HydrophobicContact CB-CG 3.83Å; L54-L156 WeakPolarHBondContact O-CB 3.21Å; L54-L156 PolarHBondContact O-N 3.38Å; M55-L156 HydrophobicContact CG-CB 3.98Å; M55-L156 HydrophobicContact CG-CD1 3.64Å; M55-L156 HydrophobicContact CG-CG 4.46Å; Y154-L156 PolarHBondContact O-N 2.95Å; L156-V158 VanDerWaalsContact C-N 3.28Å; L156-V158 PolarHBondContact O-N 3.5Å; L156-K160 PolarHBondContact O-N 3.21Å; L156-K160 VanDerWaalsContact O-N 3.09Å; L156-P161 HydrophobicContact CD2-CG 4.3Å |
| 157 | S | 93.4 | Very high | 89.3 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -32.1 | 177.8 | 78.9 | 0 | 0 | 0 | 0 | 112.7 | K56 Y154 F155 K160 | K56-S157 WeakPolarHBondContact O-CB 3.17Å; K56-S157 PolarHBondContact O-OG 2.94Å; Y154-S157 WeakPolarHBondContact O-CB 3.29Å; Y154-S157 PolarHBondContact O-N 3.48Å; Y154-S157 VanDerWaalsContact O-N 3.07Å; Y154-S157 PolarHBondContact O-OG 3.41Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.43Å; S157-K160 WeakPolarHBondContact O-CG 3.42Å |
| 158 | V | 94.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -93.5 | -34.1 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | Y58 Y154 F155 L156 K160 G183 V187 V188 A191 | Y58-V158 HydrophobicContact CD1-CG1 4.4Å; Y58-V158 HydrophobicContact CD2-CG1 3.37Å; Y58-V158 HydrophobicContact CE2-CG1 3.88Å; Y58-V158 HydrophobicContact CG-CG1 3.68Å; Y154-V158 HydrophobicContact CD2-CG1 3.84Å; Y154-V158 HydrophobicContact CD2-CG2 4.01Å; Y154-V158 HydrophobicContact CE2-CG1 4.14Å; Y154-V158 HydrophobicContact CE2-CG2 4.12Å; Y154-V158 PolarHBondContact O-N 3Å; F155-V158 WeakPolarHBondContact O-CG2 3.22Å; F155-V158 PolarHBondContact O-N 3.31Å; L156-V158 VanDerWaalsContact C-N 3.28Å; L156-V158 PolarHBondContact O-N 3.5Å; V158-K160 VanDerWaalsContact C-N 3.35Å; V158-K160 PolarHBondContact O-N 2.94Å; V158-G183 WeakPolarHBondContact O-CA 3.17Å; V158-V187 HydrophobicContact CB-CG1 4Å; V158-V187 HydrophobicContact CG1-CG1 3.75Å; V158-V187 HydrophobicContact CG2-CG1 4.41Å; V158-V188 HydrophobicContact CG2-CG2 4.45Å; V158-A191 HydrophobicContact CG2-CB 3.73Å |
| 159 | C | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 177 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F155 C181 T182 G183 | F155-C159 HydrophobicContact CE1-CB 4.06Å; F155-C159 HydrophobicContact CE2-CB 4.3Å; F155-C159 HydrophobicContact CZ-CB 3.94Å; F155-C159 VanDerWaalsContact O-CB 3.24Å; F155-C159 WeakPolarHBondContact O-CB 3.37Å; F155-C159 PolarHBondContact O-N 3.44Å; C159-C181 HydrophobicContact CB-CB 3.92Å; C159-C181 WeakPolarHBondContact CB-SG 3.46Å; C159-C181 CarbonylContact O-C 3.47Å; C159-C181 WeakPolarHBondContact O-CA 3.45Å; C159-C181 WeakPolarHBondContact O-CB 3.19Å; C159-C181 WeakPolarHBondContact SG-CA 3.4Å; C159-C181 WeakPolarHBondContact SG-CB 3.44Å; C159-C181 CovalentContact SG-SG 2.04Å; C159-C181 PolarHBondContact SG-SG 2.97Å; C159-T182 PolarHBondContact O-N 2.9Å; C159-G183 PolarHBondContact O-N 3Å; C159-G183 VanDerWaalsContact O-N 3.16Å |
| 160 | K | 91.1 | Very high | 86.9 | Confident | 130 Ų | 130 | 52.4 Ų | 52.4 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | trans | 49.1 | 63.9 | -179 | -61.4 | -179.4 | 179.1 | 177.7 | 0 | 112.1 | L156 S157 V158 T182 | L156-K160 PolarHBondContact O-N 3.21Å; L156-K160 VanDerWaalsContact O-N 3.09Å; S157-K160 WeakPolarHBondContact O-CG 3.42Å; V158-K160 VanDerWaalsContact C-N 3.35Å; V158-K160 PolarHBondContact O-N 2.94Å; K160-T182 PolarHBondContact O-OG1 3.21Å | ||
| 161 | P | 89.9 | Confident | 85.7 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 151.9 | 177.8 | 31.1 | -35.7 | 0 | 0 | 0 | 111 | L156 Y163 I180 | L156-P161 HydrophobicContact CD2-CG 4.3Å; P161-Y163 HydrophobicContact CG-CE1 3.99Å; P161-Y163 HydrophobicContact CG-CE2 3.89Å; P161-Y163 VanDerWaalsContact O-CD2 3.25Å; P161-Y163 WeakPolarHBondContact O-CD2 3.36Å; P161-Y163 PolarHBondContact O-N 3.46Å; P161-I180 HydrophobicContact CB-CD1 4.02Å |
| 162 | N | 87.1 | Confident | 84.6 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | trans | -78 | 93.2 | 176.6 | -173.7 | -2.2 | 0 | 0 | 0 | 111.1 | T164 G165 | N162-T164 PolarHBondContact O-N 3.31Å; N162-T164 PolarHBondContact OD1-N 2.7Å; N162-T164 PolarHBondContact OD1-OG1 2.89Å; N162-G165 PolarHBondContact O-N 2.97Å; N162-G165 PolarHBondContact OD1-N 3Å | ||
| 163 | Y | 82.2 | Confident | 83.8 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.4 | 177.4 | -64.4 | -74 | 0 | 0 | 0 | 114.7 | C49 N50 P161 | C49-Y163 HydrophobicContact CB-CE1 4.49Å; C49-Y163 WeakPolarHBondContact O-CE1 3.5Å; C49-Y163 PolarHBondContact O-OH 3.49Å; N50-Y163 WeakPolarHBondContact OD1-CE1 3.49Å; P161-Y163 HydrophobicContact CG-CE1 3.99Å; P161-Y163 HydrophobicContact CG-CE2 3.89Å; P161-Y163 VanDerWaalsContact O-CD2 3.25Å; P161-Y163 WeakPolarHBondContact O-CD2 3.36Å; P161-Y163 PolarHBondContact O-N 3.46Å |
| 164 | T | 79.2 | Confident | 83.2 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 79% | 0.791 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11.8 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | N162 | N162-T164 PolarHBondContact O-N 3.31Å; N162-T164 PolarHBondContact OD1-N 2.7Å; N162-T164 PolarHBondContact OD1-OG1 2.89Å |
| 165 | G | 74.4 | Confident | 82.7 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -76.5 | 166.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N162 E167 C168 R169 | N162-G165 PolarHBondContact O-N 2.97Å; N162-G165 PolarHBondContact OD1-N 3Å; G165-E167 PolarHBondContact O-N 3.09Å; G165-C168 PolarHBondContact O-N 3.46Å; G165-R169 PolarHBondContact O-N 3.26Å |
| 166 | T | 72.5 | Confident | 82 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 66% | 0.656 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -65.2 | -27.1 | 178.5 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 167 | E | 73.3 | Confident | 80.9 | Confident | 108 Ų | 108 | 81 Ų | 81 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -77.8 | -17.5 | -175.6 | -58.2 | -55.3 | 125.2 | 0 | 0 | 114 | G165 Q173 I180 | G165-E167 PolarHBondContact O-N 3.09Å; E167-Q173 PolarHBondContact O-NE2 3.42Å; E167-Q173 VanDerWaalsContact O-NE2 3.13Å; E167-Q173 PolarHBondContact O-OE1 3.04Å; E167-I180 HydrophobicContact CB-CG2 4.44Å |
| 168 | C | 78.8 | Confident | 79.8 | Confident | 5 Ų | 5 | 80.1 Ų | 80.1 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -138.9 | 29 | -172.7 | -157.6 | 0 | 0 | 0 | 0 | 112.8 | C49 G165 | C49-C168 HydrophobicContact CB-CB 4.3Å; C49-C168 WeakPolarHBondContact CB-SG 3.31Å; C49-C168 WeakPolarHBondContact SG-CA 3.27Å; C49-C168 WeakPolarHBondContact SG-CB 3.45Å; C49-C168 CovalentContact SG-SG 2.01Å; C49-C168 PolarHBondContact SG-SG 2.85Å; G165-C168 PolarHBondContact O-N 3.46Å |
| 169 | R | 73.4 | Confident | 78.8 | Confident | 175 Ų | 175 | 87.1 Ų | 87.1 | 66% | 0.66 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -78.4 | -27.9 | -174.2 | -169.8 | 173.4 | 177.3 | -178 | -0.4 | 113 | G165 | G165-R169 PolarHBondContact O-N 3.26Š|
| 170 | F | 76 | Confident | 78.5 | Confident | 142 Ų | 142 | 88.5 Ų | 88.5 | 62% | 0.623 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -113.4 | 140.2 | -176.9 | -59.4 | -74.5 | 0 | 0 | 0 | 111.5 | H172 Q173 | F170-H172 PolarHBondContact O-N 2.89Å; F170-H172 VanDerWaalsContact O-N 3.07Å; F170-Q173 WeakPolarHBondContact O-CB 3.19Å; F170-Q173 PolarHBondContact O-N 3.23Å; F170-Q173 VanDerWaalsContact O-N 3.16Å |
| 171 | N | 68.4 | Low | 78.4 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.3 | -175.2 | -65.7 | -13.1 | 0 | 0 | 0 | 114.5 | N50 | N50-N171 HydrophobicContact CB-CB 4.48Å; N50-N171 PolarHBondContact ND2-OD1 3.26Å |
| 172 | H | 71.4 | Confident | 78.4 | Confident | 166 Ų | 166 | 88.5 Ų | 88.5 | 77% | 0.769 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 15.4 | -176.5 | -58.6 | -63.7 | 0 | 0 | 0 | 113.6 | F170 F174 | F170-H172 PolarHBondContact O-N 2.89Å; F170-H172 VanDerWaalsContact O-N 3.07Å; H172-F174 PolarHBondContact O-N 2.86Å |
| 173 | Q | 80.3 | Confident | 78.6 | Confident | 55 Ų | 55 | 85.2 Ų | 85.2 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | trans | -74.6 | 121.2 | 177.4 | -169.2 | 163.1 | -3.1 | 0 | 0 | 109.8 | C49 E167 F170 | C49-Q173 PolarHBondContact N-O 2.86Å; E167-Q173 PolarHBondContact O-NE2 3.42Å; E167-Q173 VanDerWaalsContact O-NE2 3.13Å; E167-Q173 PolarHBondContact O-OE1 3.04Å; F170-Q173 WeakPolarHBondContact O-CB 3.19Å; F170-Q173 PolarHBondContact O-N 3.23Å; F170-Q173 VanDerWaalsContact O-N 3.16Å | ||
| 174 | F | 84.5 | Confident | 79.1 | Confident | 108 Ų | 108 | 85.4 Ų | 85.4 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.3 | 174.9 | -172.9 | -106.8 | 0 | 0 | 0 | 109.6 | G46 F48 H172 V176 | G46-F174 VanDerWaalsContact C-CE2 3.5Å; F48-F174 HydrophobicContact CD1-CB 4.07Å; F48-F174 HydrophobicContact CD1-CD2 4.07Å; F48-F174 HydrophobicContact CD2-CD2 4.09Å; F48-F174 HydrophobicContact CE1-CB 3.71Å; F48-F174 AromaticContact CE1-CD2 3.77Å; F48-F174 HydrophobicContact CE1-CD2 3.77Å; F48-F174 HydrophobicContact CE1-CG 4.18Å; F48-F174 AromaticContact CE2-CD2 3.77Å; F48-F174 HydrophobicContact CE2-CD2 3.77Å; F48-F174 HydrophobicContact CE2-CE2 4.2Å; F48-F174 HydrophobicContact CG-CD2 4.23Å; F48-F174 HydrophobicContact CZ-CB 4.29Å; F48-F174 AromaticContact CZ-CD2 3.61Å; F48-F174 HydrophobicContact CZ-CD2 3.61Å; F48-F174 HydrophobicContact CZ-CE2 4.36Å; F48-F174 HydrophobicContact CZ-CG 4.31Å; H172-F174 PolarHBondContact O-N 2.86Å; F174-V176 HydrophobicContact CD1-CG2 3.94Å; F174-V176 HydrophobicContact CE1-CG2 3.83Å |
| 175 | I | 84.6 | Confident | 79.7 | Confident | 9 Ų | 9 | 84 Ų | 84 | 5% | 0.046 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.3 | -179.9 | -65.3 | 134.8 | 0 | 0 | 0 | 109.2 | G46 F47 C49 N177 I180 | G46-I175 CarbonylContact C-O 3.29Å; G46-I175 WeakPolarHBondContact CA-O 3.35Å; F47-I175 HydrophobicContact CE2-CD1 4.3Å; F47-I175 PolarHBondContact N-O 2.9Å; F47-I175 PolarHBondContact O-N 2.74Å; C49-I175 WeakPolarHBondContact SG-CD1 3.27Å; I175-N177 WeakPolarHBondContact CG2-O 3.21Å; I175-I180 HydrophobicContact CB-CD1 4.14Å; I175-I180 HydrophobicContact CD1-CD1 3.44Å; I175-I180 VanDerWaalsContact CD1-CD1 3.44Å; I175-I180 HydrophobicContact CG1-CD1 4.06Å; I175-I180 HydrophobicContact CG2-CD1 3.71Å; I175-I180 HydrophobicContact CG2-CG1 4.21Å; I175-I180 HydrophobicContact CG2-CG2 4.25Å |
| 176 | V | 80.1 | Confident | 80.5 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 55% | 0.552 | 46% | 0.463 | S | S | * | . | trans | -97.8 | -21.7 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | F174 | F174-V176 HydrophobicContact CD1-CG2 3.94Å; F174-V176 HydrophobicContact CE1-CG2 3.83Å | ||
| 177 | N | 71.7 | Confident | 81.5 | Confident | 115 Ų | 115 | 83.9 Ų | 83.9 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | trans | -97.6 | 128.8 | -172.9 | -67.2 | -15.8 | 0 | 0 | 0 | 111.9 | I175 N179 | I175-N177 WeakPolarHBondContact CG2-O 3.21Å; N177-N179 PolarHBondContact O-N 3.2Å | ||
| 178 | G | 68.8 | Low | 82.4 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -73 | -8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | I180 | G178-I180 PolarHBondContact O-N 3.27Å; G178-I180 VanDerWaalsContact O-N 3.13Å |
| 179 | N | 74.6 | Confident | 83 | Confident | 161 Ų | 161 | 82 Ų | 82 | 86% | 0.861 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -77.7 | 5.4 | -170.9 | -64.3 | -3 | 0 | 0 | 0 | 114.6 | N177 | N177-N179 PolarHBondContact O-N 3.2Š|
| 180 | I | 85.8 | Confident | 83.9 | Confident | 29 Ų | 29 | 77.6 Ų | 77.6 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -88.2 | -13 | -179.7 | 61.3 | 161.3 | 0 | 0 | 0 | 113.3 | F47 P161 E167 I175 G178 | F47-I180 HydrophobicContact CE1-CD1 4.21Å; F47-I180 HydrophobicContact CE2-CD1 3.59Å; F47-I180 HydrophobicContact CZ-CD1 3.23Å; F47-I180 HydrophobicContact CZ-CG1 3.8Å; P161-I180 HydrophobicContact CB-CD1 4.02Å; E167-I180 HydrophobicContact CB-CG2 4.44Å; I175-I180 HydrophobicContact CB-CD1 4.14Å; I175-I180 HydrophobicContact CD1-CD1 3.44Å; I175-I180 VanDerWaalsContact CD1-CD1 3.44Å; I175-I180 HydrophobicContact CG1-CD1 4.06Å; I175-I180 HydrophobicContact CG2-CD1 3.71Å; I175-I180 HydrophobicContact CG2-CG1 4.21Å; I175-I180 HydrophobicContact CG2-CG2 4.25Å; G178-I180 PolarHBondContact O-N 3.27Å; G178-I180 VanDerWaalsContact O-N 3.13Å |
| 181 | C | 89.1 | Confident | 84.7 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 131.9 | -179.9 | -60 | 0 | 0 | 0 | 0 | 110.6 | C159 V188 | C159-C181 HydrophobicContact CB-CB 3.92Å; C159-C181 WeakPolarHBondContact CB-SG 3.46Å; C159-C181 CarbonylContact O-C 3.47Å; C159-C181 WeakPolarHBondContact O-CA 3.45Å; C159-C181 WeakPolarHBondContact O-CB 3.19Å; C159-C181 WeakPolarHBondContact SG-CA 3.4Å; C159-C181 WeakPolarHBondContact SG-CB 3.44Å; C159-C181 CovalentContact SG-SG 2.04Å; C159-C181 PolarHBondContact SG-SG 2.97Å; C181-V188 HydrophobicContact CB-CG1 4.15Å; C181-V188 HydrophobicContact CB-CG2 4.33Å |
| 182 | T | 90.7 | Very high | 86 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | trans | -107.6 | -6 | 177 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | C159 K160 | C159-T182 PolarHBondContact O-N 2.9Å; K160-T182 PolarHBondContact O-OG1 3.21Å | ||
| 183 | G | 91.5 | Very high | 87 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -71.5 | -175.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V158 C159 | V158-G183 WeakPolarHBondContact O-CA 3.17Å; C159-G183 PolarHBondContact O-N 3Å; C159-G183 VanDerWaalsContact O-N 3.16Å |
| 184 | N | 93.1 | Very high | 87.7 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | trans | -65.4 | 122.6 | 178.7 | -177.8 | -40.2 | 0 | 0 | 0 | 110.1 | V186 V187 V188 | N184-V186 VanDerWaalsContact C-N 3.29Å; N184-V186 PolarHBondContact O-N 3.23Å; N184-V186 PolarHBondContact OD1-N 2.83Å; N184-V187 HydrophobicContact CB-CB 4.35Å; N184-V187 HydrophobicContact CB-CG2 4.07Å; N184-V187 PolarHBondContact O-N 3.46Å; N184-V188 WeakPolarHBondContact O-CG2 3.42Å; N184-V188 PolarHBondContact O-N 3.48Å | ||
| 185 | P | 91.4 | Very high | 88.3 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.1 | -36.5 | -173.3 | 23.7 | -34.1 | 0 | 0 | 0 | 113.1 | V188 E189 | P185-V188 PolarHBondContact O-N 3.41Å; P185-E189 WeakPolarHBondContact O-CB 3.48Å; P185-E189 PolarHBondContact O-N 2.75Å |
| 186 | V | 90.6 | Very high | 88.9 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | -179.6 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | N184 V188 E189 N190 | N184-V186 VanDerWaalsContact C-N 3.29Å; N184-V186 PolarHBondContact O-N 3.23Å; N184-V186 PolarHBondContact OD1-N 2.83Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V186-E189 PolarHBondContact O-N 2.94Å; V186-N190 VanDerWaalsContact O-CG 3.3Å; V186-N190 PolarHBondContact O-N 3.22Å; V186-N190 PolarHBondContact O-ND2 3.39Å |
| 187 | V | 93.4 | Very high | 89.7 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70 | -36.6 | 179 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | Y58 V158 N184 N190 A191 | Y58-V187 HydrophobicContact CE2-CG1 3.8Å; V158-V187 HydrophobicContact CB-CG1 4Å; V158-V187 HydrophobicContact CG1-CG1 3.75Å; V158-V187 HydrophobicContact CG2-CG1 4.41Å; N184-V187 HydrophobicContact CB-CB 4.35Å; N184-V187 HydrophobicContact CB-CG2 4.07Å; N184-V187 PolarHBondContact O-N 3.46Å; V187-N190 PolarHBondContact O-N 2.89Å; V187-A191 WeakPolarHBondContact O-CB 3.34Å; V187-A191 PolarHBondContact O-N 3.06Å |
| 188 | V | 93.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | F155 V158 C181 N184 P185 V186 A191 R192 | F155-V188 HydrophobicContact CE2-CG1 4.03Å; V158-V188 HydrophobicContact CG2-CG2 4.45Å; C181-V188 HydrophobicContact CB-CG1 4.15Å; C181-V188 HydrophobicContact CB-CG2 4.33Å; N184-V188 WeakPolarHBondContact O-CG2 3.42Å; N184-V188 PolarHBondContact O-N 3.48Å; P185-V188 PolarHBondContact O-N 3.41Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V188-A191 WeakPolarHBondContact O-CB 3.25Å; V188-A191 PolarHBondContact O-N 3.47Å; V188-R192 WeakPolarHBondContact O-CG 3.27Å; V188-R192 PolarHBondContact O-N 3.5Å |
| 189 | E | 91.3 | Very high | 92.2 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 176.2 | -171.8 | 178.5 | 163.1 | 0 | 0 | 111.7 | V42 P185 V186 A191 R192 R193 | V42-E189 HydrophobicContact CG2-CG 3.96Å; P185-E189 WeakPolarHBondContact O-CB 3.48Å; P185-E189 PolarHBondContact O-N 2.75Å; V186-E189 PolarHBondContact O-N 2.94Å; E189-A191 PolarHBondContact O-N 3.1Å; E189-R192 WeakPolarHBondContact O-CB 3.14Å; E189-R192 PolarHBondContact O-N 2.79Å; E189-R193 IonicContact OE1-CZ 3.98Å; E189-R193 IonicContact OE1-NE 2.67Å; E189-R193 IonicContact OE1-NH2 3.67Å; E189-R193 PolarHBondContact OE1-NH2 2.82Å |
| 190 | N | 91.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -37.5 | 174.6 | -71.8 | -16.8 | 0 | 0 | 0 | 111.9 | V186 V187 R192 R193 | V186-N190 VanDerWaalsContact O-CG 3.3Å; V186-N190 PolarHBondContact O-N 3.22Å; V186-N190 PolarHBondContact O-ND2 3.39Å; V187-N190 PolarHBondContact O-N 2.89Å; N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.15Å; N190-R193 PolarHBondContact O-N 3.1Å; N190-R193 VanDerWaalsContact O-N 3.13Å |
| 191 | A | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | S152 Y154 F155 V158 V187 V188 E189 | S152-A191 WeakPolarHBondContact CB-O 2.99Å; S152-A191 PolarHBondContact N-O 3.29Å; S152-A191 WeakPolarHBondContact OG-CA 3.49Å; S152-A191 WeakPolarHBondContact OG-CB 3.27Å; S152-A191 PolarHBondContact OG-O 2.95Å; Y154-A191 HydrophobicContact CD2-CB 4.34Å; Y154-A191 HydrophobicContact CE2-CB 3.65Å; F155-A191 HydrophobicContact CB-CB 4.38Å; F155-A191 HydrophobicContact CD2-CB 3.88Å; V158-A191 HydrophobicContact CG2-CB 3.73Å; V187-A191 WeakPolarHBondContact O-CB 3.34Å; V187-A191 PolarHBondContact O-N 3.06Å; V188-A191 WeakPolarHBondContact O-CB 3.25Å; V188-A191 PolarHBondContact O-N 3.47Å; E189-A191 PolarHBondContact O-N 3.1Å |
| 192 | R | 94 | Very high | 94.3 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.7 | 174.4 | -64 | 176 | 173.9 | -80 | 2 | 113.7 | V42 Q45 G149 G150 L151 F155 V188 E189 N190 | V42-R192 HydrophobicContact CG1-CB 3.85Å; Q45-R192 PolarHBondContact O-NH1 2.7Å; G149-R192 CarbonylContact C-O 3.46Å; G149-R192 WeakPolarHBondContact CA-O 3.4Å; G150-R192 PolarHBondContact N-O 3.44Å; G150-R192 CarbonylContact O-C 3.41Å; G150-R192 WeakPolarHBondContact O-CA 3.39Å; L151-R192 HydrophobicContact CD2-CB 4.45Å; L151-R192 HydrophobicContact CD2-CG 3.82Å; F155-R192 HydrophobicContact CD2-CG 4.21Å; F155-R192 HydrophobicContact CE2-CG 3.81Å; V188-R192 WeakPolarHBondContact O-CG 3.27Å; V188-R192 PolarHBondContact O-N 3.5Å; E189-R192 WeakPolarHBondContact O-CB 3.14Å; E189-R192 PolarHBondContact O-N 2.79Å; N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.15Å |
| 193 | R | 93.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 17% | 0.17 | 18% | 0.181 | C | C | . | . | trans | -109.3 | 35.5 | -179.4 | -62.4 | -175 | -176.3 | -169.1 | 3.3 | 111.9 | V42 Q145 E189 N190 | V42-R193 HydrophobicContact CG1-CG 4.48Å; V42-R193 HydrophobicContact CG2-CG 3.98Å; V42-R193 VanDerWaalsContact CG2-NE 3.3Å; Q145-R193 HydrophobicContact CB-CB 4.04Å; Q145-R193 HydrophobicContact CB-CG 4.39Å; Q145-R193 HydrophobicContact CG-CB 4.3Å; Q145-R193 WeakPolarHBondContact CG-O 3.14Å; Q145-R193 PolarHBondContact NE2-O 3.35Å; E189-R193 IonicContact OE1-CZ 3.98Å; E189-R193 IonicContact OE1-NE 2.67Å; E189-R193 IonicContact OE1-NH2 3.67Å; E189-R193 PolarHBondContact OE1-NH2 2.82Å; N190-R193 PolarHBondContact O-N 3.1Å; N190-R193 VanDerWaalsContact O-N 3.13Å | ||
| 194 | S | 94.9 | Very high | 95 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -74 | -40 | -175.2 | -166.9 | 0 | 0 | 0 | 0 | 113.3 | G150 P196 N251 D255 | G150-S194 VanDerWaalsContact O-CB 3.25Å; G150-S194 WeakPolarHBondContact O-CB 3.35Å; G150-S194 PolarHBondContact O-N 3.2Å; S194-P196 CarbonylContact O-C 3.41Å; S194-P196 VanDerWaalsContact O-C 3.29Å; S194-N251 PolarHBondContact O-ND2 2.96Å; S194-N251 PolarHBondContact OG-ND2 2.89Å; S194-N251 VanDerWaalsContact OG-ND2 3.1Å; S194-D255 PolarHBondContact OG-OD2 2.93Å | ||
| 195 | F | 96.2 | Very high | 95.3 | Very high | 74 Ų | 74 | 27.9 Ų | 27.9 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -107 | 131.6 | -170.6 | -177.7 | -86.9 | 0 | 0 | 0 | 112.7 | G144 Q145 T148 D255 A258 | G144-F195 CarbonylContact C-O 3.03Å; Q145-F195 WeakPolarHBondContact CA-O 3.41Å; Q145-F195 WeakPolarHBondContact CG-O 3.41Å; Q145-F195 PolarHBondContact N-O 2.78Å; T148-F195 HydrophobicContact CG2-CD1 3.82Å; T148-F195 HydrophobicContact CG2-CE1 4.16Å; T148-F195 PolarHBondContact OG1-O 3.34Å; T148-F195 VanDerWaalsContact OG1-O 3.08Å; F195-D255 HydrophobicContact CD2-CB 4.13Å; F195-D255 WeakPolarHBondContact CD2-OD1 3.17Å; F195-A258 HydrophobicContact CD2-CB 4.39Å; F195-A258 HydrophobicContact CE2-CB 3.43Å; F195-A258 VanDerWaalsContact CE2-CB 3.43Å; F195-A258 HydrophobicContact CZ-CB 3.7Å |
| 196 | P | 97.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.065 | 12% | 0.122 | C | C | . | . | S | Bend | cis | -75.8 | 167.4 | -15.2 | 32.1 | -33.8 | 0 | 0 | 0 | 111.7 | V141 Q145 S194 K198 A258 L262 | V141-P196 HydrophobicContact CB-CG 4.45Å; V141-P196 HydrophobicContact CG1-CG 4.28Å; V141-P196 HydrophobicContact CG2-CG 4.29Å; Q145-P196 PolarHBondContact NE2-O 2.85Å; Q145-P196 VanDerWaalsContact NE2-O 3.1Å; S194-P196 CarbonylContact O-C 3.41Å; S194-P196 VanDerWaalsContact O-C 3.29Å; P196-K198 PolarHBondContact O-N 3.25Å; P196-A258 HydrophobicContact CB-CB 4.32Å; P196-L262 HydrophobicContact CG-CD2 4.31Å |
| 197 | S | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -74.5 | 115 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | A200 S201 N251 D255 | S197-A200 PolarHBondContact O-N 3.06Å; S197-S201 PolarHBondContact O-N 3.49Å; S197-S201 PolarHBondContact O-OG 3.06Å; S197-N251 PolarHBondContact OG-OD1 2.6Å; S197-N251 VanDerWaalsContact OG-OD1 3.06Å; S197-D255 PolarHBondContact N-O 3.12Å | ||
| 198 | K | 96.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58 | -50.9 | 178.6 | -174.6 | 169 | 173.8 | 154.6 | 0 | 113.5 | E35 D138 V141 P196 A200 S201 L202 | E35-K198 IonicContact OE1-NZ 3.31Å; E35-K198 PolarHBondContact OE1-NZ 2.9Å; E35-K198 IonicContact OE2-NZ 3.75Å; E35-K198 PolarHBondContact OE2-NZ 3.33Å; D138-K198 WeakPolarHBondContact OD1-CE 3.18Å; D138-K198 IonicContact OD1-NZ 3.85Å; D138-K198 PolarHBondContact OD1-NZ 3.38Å; V141-K198 HydrophobicContact CG1-CB 3.66Å; V141-K198 HydrophobicContact CG1-CG 4.1Å; P196-K198 PolarHBondContact O-N 3.25Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.42Å; K198-S201 PolarHBondContact O-N 2.91Å; K198-L202 HydrophobicContact CG-CD1 3.9Å; K198-L202 HydrophobicContact CG-CG 4.48Å; K198-L202 WeakPolarHBondContact O-CG 3.35Å; K198-L202 PolarHBondContact O-N 3.4Å |
| 199 | D | 96.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | -178 | -77.9 | 21.6 | 0 | 0 | 0 | 111.9 | L72 Y73 S203 R245 | L72-D199 HydrophobicContact CD2-CB 3.49Å; L72-D199 VanDerWaalsContact CD2-CB 3.49Å; L72-D199 WeakPolarHBondContact CD2-OD2 3.4Å; Y73-D199 VanDerWaalsContact CE1-OD1 3.31Å; Y73-D199 WeakPolarHBondContact CE1-OD1 3.21Å; Y73-D199 PolarHBondContact OH-OD1 2.92Å; D199-S203 WeakPolarHBondContact O-CB 3.27Å; D199-S203 PolarHBondContact O-N 2.78Å; D199-S203 VanDerWaalsContact O-N 3.1Å; D199-S203 PolarHBondContact O-OG 3.2Å; D199-R245 HydrophobicContact CB-CG 4.12Å; D199-R245 IonicContact OD2-CZ 2.72Å; D199-R245 IonicContact OD2-NE 2.7Å; D199-R245 PolarHBondContact OD2-NE 3.46Å; D199-R245 IonicContact OD2-NH1 3.85Å; D199-R245 IonicContact OD2-NH2 3.54Å; D199-R245 PolarHBondContact OD2-NH2 3.13Å |
| 200 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S197 K198 S203 V204 V256 F260 | S197-A200 PolarHBondContact O-N 3.06Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.42Å; A200-S203 PolarHBondContact O-OG 3.26Å; A200-S203 VanDerWaalsContact O-OG 3.06Å; A200-V204 PolarHBondContact O-N 3.14Å; A200-V204 VanDerWaalsContact O-N 3.12Å; A200-V256 HydrophobicContact CB-CB 4.36Å; A200-V256 HydrophobicContact CB-CG1 3.88Å; A200-F260 HydrophobicContact CB-CD1 3.86Å; A200-F260 HydrophobicContact CB-CE1 3.73Å; A200-F260 HydrophobicContact CB-CZ 4.38Å; A200-F260 WeakPolarHBondContact O-CD1 3.41Å |
| 201 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.6 | -50.1 | 179.2 | -70 | 0 | 0 | 0 | 0 | 113.2 | V141 S197 K198 Y205 G259 | V141-S201 WeakPolarHBondContact CG2-OG 3.48Å; S197-S201 PolarHBondContact O-N 3.49Å; S197-S201 PolarHBondContact O-OG 3.06Å; K198-S201 PolarHBondContact O-N 2.91Å; S201-Y205 VanDerWaalsContact O-CB 3.24Å; S201-Y205 WeakPolarHBondContact O-CB 3.36Å; S201-Y205 PolarHBondContact O-N 3.24Å; S201-G259 VanDerWaalsContact CA-O 3.27Å; S201-G259 WeakPolarHBondContact CA-O 3.48Å; S201-G259 WeakPolarHBondContact CB-O 3.3Å; S201-G259 VanDerWaalsContact OG-C 3.23Å; S201-G259 WeakPolarHBondContact OG-CA 3.41Å; S201-G259 PolarHBondContact OG-O 3.38Å |
| 202 | L | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 14 Ų | 14 | 6% | 0.063 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | -177.5 | -68 | 176.3 | 0 | 0 | 0 | 111.6 | Y73 V76 L134 T137 D138 K198 S206 | Y73-L202 HydrophobicContact CD1-CD1 4.02Å; Y73-L202 HydrophobicContact CE1-CD1 3.8Å; V76-L202 HydrophobicContact CG1-CB 4.22Å; V76-L202 WeakPolarHBondContact CG1-O 3.45Å; L134-L202 HydrophobicContact CD2-CD2 4.37Å; T137-L202 HydrophobicContact CG2-CD2 3.94Å; D138-L202 HydrophobicContact CB-CD2 4.36Å; K198-L202 HydrophobicContact CG-CD1 3.9Å; K198-L202 HydrophobicContact CG-CG 4.48Å; K198-L202 WeakPolarHBondContact O-CG 3.35Å; K198-L202 PolarHBondContact O-N 3.4Å; L202-S206 WeakPolarHBondContact O-CB 3.32Å; L202-S206 PolarHBondContact O-N 2.93Å; L202-S206 VanDerWaalsContact O-N 3.1Å |
| 203 | S | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 13.3 Ų | 13.3 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 179.2 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | D199 A200 S206 A207 A238 | D199-S203 WeakPolarHBondContact O-CB 3.27Å; D199-S203 PolarHBondContact O-N 2.78Å; D199-S203 VanDerWaalsContact O-N 3.1Å; D199-S203 PolarHBondContact O-OG 3.2Å; A200-S203 PolarHBondContact O-OG 3.26Å; A200-S203 VanDerWaalsContact O-OG 3.06Å; S203-S206 PolarHBondContact O-N 3.23Å; S203-A207 WeakPolarHBondContact O-CB 3.24Å; S203-A207 PolarHBondContact O-N 3.06Å; S203-A238 WeakPolarHBondContact O-CB 3.47Å; S203-A238 PolarHBondContact OG-O 2.95Å |
| 204 | V | 98.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 11.2 Ų | 11.2 | 9% | 0.085 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -70.9 | -37.1 | 179.2 | 82.8 | 0 | 0 | 0 | 0 | 112.2 | A200 S206 A207 V208 A238 F260 | A200-V204 PolarHBondContact O-N 3.14Å; A200-V204 VanDerWaalsContact O-N 3.12Å; V204-S206 VanDerWaalsContact C-N 3.27Å; V204-S206 PolarHBondContact O-N 3.41Å; V204-A207 PolarHBondContact O-N 3.03Å; V204-V208 HydrophobicContact CG2-CG2 3.97Å; V204-V208 WeakPolarHBondContact O-CB 3.44Å; V204-V208 VanDerWaalsContact O-CG2 3.24Å; V204-V208 WeakPolarHBondContact O-CG2 3.45Å; V204-V208 PolarHBondContact O-N 3.26Å; V204-A238 HydrophobicContact CB-CB 4.45Å; V204-F260 HydrophobicContact CB-CD1 3.71Å; V204-F260 HydrophobicContact CB-CE1 4.27Å; V204-F260 HydrophobicContact CG1-CB 4.4Å; V204-F260 HydrophobicContact CG1-CD1 3.95Å; V204-F260 WeakPolarHBondContact CG1-O 3.47Å; V204-F260 HydrophobicContact CG2-CD1 4.2Å |
| 205 | Y | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -55.4 | -49.6 | 175.4 | 165.5 | -90.4 | 0 | 0 | 0 | 109.7 | F130 G133 L134 S201 V208 Y209 I266 A267 L270 | F130-Y205 WeakPolarHBondContact CA-OH 3.39Å; F130-Y205 AromaticContact CD2-CE1 3.79Å; F130-Y205 HydrophobicContact CD2-CE1 3.79Å; F130-Y205 HydrophobicContact CE2-CD1 4.33Å; F130-Y205 AromaticContact CE2-CE1 3.68Å; F130-Y205 HydrophobicContact CE2-CE1 3.68Å; F130-Y205 PolarHBondContact O-OH 3.37Å; G133-Y205 VanDerWaalsContact C-CZ 3.43Å; G133-Y205 VanDerWaalsContact CA-OH 3.27Å; G133-Y205 WeakPolarHBondContact CA-OH 3.22Å; L134-Y205 HydrophobicContact CB-CE1 4.35Å; L134-Y205 HydrophobicContact CD2-CD1 3.51Å; L134-Y205 HydrophobicContact CD2-CE1 3.73Å; L134-Y205 HydrophobicContact CG-CD1 4.05Å; L134-Y205 HydrophobicContact CG-CE1 3.71Å; S201-Y205 VanDerWaalsContact O-CB 3.24Å; S201-Y205 WeakPolarHBondContact O-CB 3.36Å; S201-Y205 PolarHBondContact O-N 3.24Å; Y205-V208 PolarHBondContact O-N 2.95Å; Y205-Y209 WeakPolarHBondContact O-CB 3.36Å; Y205-Y209 PolarHBondContact O-N 3.08Å; Y205-I266 HydrophobicContact CD2-CB 4.21Å; Y205-I266 HydrophobicContact CD2-CG2 4Å; Y205-I266 HydrophobicContact CE2-CG2 3.87Å; Y205-A267 HydrophobicContact CD2-CB 3.68Å; Y205-A267 HydrophobicContact CE2-CB 3.99Å; Y205-A267 HydrophobicContact CG-CB 4.46Å; Y205-L270 HydrophobicContact CE2-CD1 4.2Å |
| 206 | S | 97.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 12 Ų | 12 | 6% | 0.063 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 179.4 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | V76 P80 L202 S203 V204 V208 L210 | V76-S206 PolarHBondContact O-OG 3.24Å; P80-S206 WeakPolarHBondContact CG-OG 3.38Å; L202-S206 WeakPolarHBondContact O-CB 3.32Å; L202-S206 PolarHBondContact O-N 2.93Å; L202-S206 VanDerWaalsContact O-N 3.1Å; S203-S206 PolarHBondContact O-N 3.23Å; V204-S206 VanDerWaalsContact C-N 3.27Å; V204-S206 PolarHBondContact O-N 3.41Å; S206-V208 PolarHBondContact O-N 3.28Å; S206-L210 WeakPolarHBondContact O-CB 3.46Å; S206-L210 PolarHBondContact O-N 3.24Å |
| 207 | A | 97.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 12 Ų | 12 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | S203 V204 T211 T234 L235 A238 | S203-A207 WeakPolarHBondContact O-CB 3.24Å; S203-A207 PolarHBondContact O-N 3.06Å; V204-A207 PolarHBondContact O-N 3.03Å; A207-T211 WeakPolarHBondContact O-CB 3.47Å; A207-T211 PolarHBondContact O-N 2.84Å; A207-T211 PolarHBondContact O-OG1 3.46Å; A207-T234 WeakPolarHBondContact CB-O 3.38Å; A207-L235 HydrophobicContact CB-CD2 4.14Å; A207-A238 HydrophobicContact CB-CB 3.69Å |
| 208 | V | 97.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 15 Ų | 15 | 13% | 0.127 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68 | -47.7 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V204 Y205 S206 L210 T211 M212 L235 A267 L268 | V204-V208 HydrophobicContact CG2-CG2 3.97Å; V204-V208 WeakPolarHBondContact O-CB 3.44Å; V204-V208 VanDerWaalsContact O-CG2 3.24Å; V204-V208 WeakPolarHBondContact O-CG2 3.45Å; V204-V208 PolarHBondContact O-N 3.26Å; Y205-V208 PolarHBondContact O-N 2.95Å; S206-V208 PolarHBondContact O-N 3.28Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 2.85Å; V208-T211 PolarHBondContact O-N 3.16Å; V208-M212 HydrophobicContact CG1-SD 4.13Å; V208-M212 VanDerWaalsContact O-CG 3.3Å; V208-M212 WeakPolarHBondContact O-CG 3.48Å; V208-M212 PolarHBondContact O-N 2.8Å; V208-L235 HydrophobicContact CG2-CD2 3.96Å; V208-A267 HydrophobicContact CB-CB 3.86Å; V208-A267 HydrophobicContact CG1-CB 3.66Å; V208-L268 HydrophobicContact CG1-CD2 4.33Å; V208-L268 HydrophobicContact CG1-CG 4.39Å |
| 209 | Y | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 177.7 | -171.8 | -85.9 | 0 | 0 | 0 | 111.4 | I84 F126 V129 F130 Y205 M212 Y213 F278 | I84-Y209 HydrophobicContact CD1-CD1 4.45Å; I84-Y209 HydrophobicContact CD1-CE1 3.91Å; F126-Y209 PolarHBondContact O-OH 3Å; V129-Y209 HydrophobicContact CG1-CE2 4.25Å; F130-Y209 HydrophobicContact CB-CD1 4.13Å; F130-Y209 HydrophobicContact CB-CE1 3.61Å; F130-Y209 AromaticContact CD2-CD1 3.56Å; F130-Y209 HydrophobicContact CD2-CD1 3.56Å; F130-Y209 AromaticContact CD2-CE1 3.97Å; F130-Y209 HydrophobicContact CD2-CE1 3.97Å; F130-Y209 AromaticContact CD2-CG 3.92Å; F130-Y209 HydrophobicContact CD2-CG 3.92Å; F130-Y209 HydrophobicContact CE2-CD1 4.43Å; F130-Y209 HydrophobicContact CG-CD1 4.2Å; F130-Y209 HydrophobicContact CG-CE1 4.15Å; Y205-Y209 WeakPolarHBondContact O-CB 3.36Å; Y205-Y209 PolarHBondContact O-N 3.08Å; Y209-M212 PolarHBondContact O-N 3.38Å; Y209-Y213 PolarHBondContact O-N 3.32Å; Y209-F278 HydrophobicContact CD1-CZ 4.45Å; Y209-F278 HydrophobicContact CD2-CZ 4.31Å; Y209-F278 HydrophobicContact CE1-CE1 4.12Å; Y209-F278 AromaticContact CE1-CZ 3.93Å; Y209-F278 HydrophobicContact CE1-CZ 3.93Å; Y209-F278 AromaticContact CE2-CZ 3.77Å; Y209-F278 HydrophobicContact CE2-CZ 3.77Å; Y209-F278 AromaticContact CZ-CE1 3.9Å; Y209-F278 AromaticContact CZ-CZ 3.58Å |
| 210 | L | 95.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.6 | 179.7 | 54.5 | 0 | 0 | 0 | 111.9 | P80 I83 S206 V208 M212 Y213 I214 T234 | P80-L210 HydrophobicContact CB-CB 4.37Å; P80-L210 HydrophobicContact CB-CD1 4.39Å; P80-L210 HydrophobicContact CG-CB 4.41Å; P80-L210 HydrophobicContact CG-CD2 4.28Å; I83-L210 HydrophobicContact CB-CD1 3.84Å; I83-L210 HydrophobicContact CD1-CD1 3.96Å; I83-L210 HydrophobicContact CD1-CD2 3.59Å; I83-L210 HydrophobicContact CD1-CG 4.34Å; I83-L210 HydrophobicContact CG2-CD1 3.65Å; S206-L210 WeakPolarHBondContact O-CB 3.46Å; S206-L210 PolarHBondContact O-N 3.24Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 2.85Å; L210-M212 VanDerWaalsContact C-N 3.33Å; L210-M212 PolarHBondContact O-N 3.41Å; L210-Y213 WeakPolarHBondContact O-CB 3.43Å; L210-Y213 PolarHBondContact O-N 3.03Å; L210-I214 HydrophobicContact CD1-CD1 3.83Å; L210-I214 HydrophobicContact CD1-CG1 4.11Å; L210-I214 HydrophobicContact CG-CD1 3.7Å; L210-I214 HydrophobicContact CG-CG1 4.46Å; L210-I214 WeakPolarHBondContact O-CB 3.4Å; L210-I214 WeakPolarHBondContact O-CD1 3.5Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.3Å; L210-I214 PolarHBondContact O-N 3.26Å; L210-T234 HydrophobicContact CD2-CG2 3.68Å; L210-T234 HydrophobicContact CG-CG2 4.38Å |
| 211 | T | 94.6 | Very high | 88.3 | Confident | 22 Ų | 22 | 35 Ų | 35 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 175.2 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | A207 V208 T215 C231 T234 | A207-T211 WeakPolarHBondContact O-CB 3.47Å; A207-T211 PolarHBondContact O-N 2.84Å; A207-T211 PolarHBondContact O-OG1 3.46Å; V208-T211 PolarHBondContact O-N 3.16Å; T211-T215 WeakPolarHBondContact O-CB 3.21Å; T211-T215 PolarHBondContact O-N 3.37Å; T211-T215 PolarHBondContact O-OG1 3.06Å; T211-C231 HydrophobicContact CG2-CB 3.79Å; T211-T234 PolarHBondContact OG1-OG1 2.81Å |
| 212 | M | 92.6 | Very high | 86.2 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 175.6 | -69.8 | 174.4 | 72.9 | 0 | 0 | 111.8 | V208 Y209 L210 T215 S216 L268 I272 F278 | V208-M212 HydrophobicContact CG1-SD 4.13Å; V208-M212 VanDerWaalsContact O-CG 3.3Å; V208-M212 WeakPolarHBondContact O-CG 3.48Å; V208-M212 PolarHBondContact O-N 2.8Å; Y209-M212 PolarHBondContact O-N 3.38Å; L210-M212 VanDerWaalsContact C-N 3.33Å; L210-M212 PolarHBondContact O-N 3.41Å; M212-T215 PolarHBondContact O-N 3.27Å; M212-S216 WeakPolarHBondContact O-CB 3.25Å; M212-S216 PolarHBondContact O-N 3.47Å; M212-S216 VanDerWaalsContact O-N 3.11Å; M212-S216 PolarHBondContact O-OG 2.88Å; M212-L268 HydrophobicContact CE-CD2 4.48Å; M212-L268 HydrophobicContact SD-CD2 3.99Å; M212-I272 HydrophobicContact CE-CG1 3.67Å; M212-F278 HydrophobicContact CB-CD2 4.35Å; M212-F278 HydrophobicContact CB-CE2 3.85Å; M212-F278 HydrophobicContact CE-CE2 4.42Å |
| 213 | Y | 91.5 | Very high | 84.7 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -58.4 | 175.2 | 175.7 | -96.6 | 0 | 0 | 0 | 111 | I84 E88 F126 Y209 L210 T215 S216 T217 F278 | I84-Y213 HydrophobicContact CB-CE1 4.39Å; I84-Y213 HydrophobicContact CB-CE2 4.44Å; I84-Y213 HydrophobicContact CG1-CD1 3.9Å; I84-Y213 HydrophobicContact CG1-CD2 3.98Å; I84-Y213 HydrophobicContact CG1-CE1 4.03Å; I84-Y213 HydrophobicContact CG1-CE2 4.1Å; I84-Y213 HydrophobicContact CG1-CG 3.89Å; I84-Y213 HydrophobicContact CG2-CE2 4.09Å; I84-Y213 PolarHBondContact O-OH 2.76Å; E88-Y213 PolarHBondContact N-OH 2.72Å; E88-Y213 WeakPolarHBondContact OE1-CE2 3.31Å; E88-Y213 PolarHBondContact OE1-OH 3.01Å; F126-Y213 HydrophobicContact CD2-CD2 4.47Å; F126-Y213 AromaticContact CD2-CE2 3.92Å; F126-Y213 HydrophobicContact CD2-CE2 3.92Å; F126-Y213 HydrophobicContact CE2-CE2 4.08Å; F126-Y213 HydrophobicContact CG-CE2 4.49Å; Y209-Y213 PolarHBondContact O-N 3.32Å; L210-Y213 WeakPolarHBondContact O-CB 3.43Å; L210-Y213 PolarHBondContact O-N 3.03Å; Y213-T215 PolarHBondContact O-N 2.96Å; Y213-S216 PolarHBondContact O-N 3.05Å; Y213-T217 HydrophobicContact CD1-CG2 4.49Å; Y213-T217 HydrophobicContact CD2-CG2 3.82Å; Y213-T217 HydrophobicContact CE1-CG2 4.14Å; Y213-T217 HydrophobicContact CE2-CG2 3.41Å; Y213-T217 VanDerWaalsContact CE2-CG2 3.41Å; Y213-T217 HydrophobicContact CG-CG2 4.33Å; Y213-T217 WeakPolarHBondContact O-CG2 3.44Å; Y213-T217 PolarHBondContact O-N 3.09Å; Y213-T217 PolarHBondContact O-OG1 3.11Å; Y213-F278 AromaticContact CD2-CD1 3.76Å; Y213-F278 HydrophobicContact CD2-CD1 3.76Å; Y213-F278 AromaticContact CD2-CE1 3.91Å; Y213-F278 HydrophobicContact CD2-CE1 3.91Å |
| 214 | I | 90.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.5 | -46 | 178.2 | -71.1 | 159.5 | 0 | 0 | 0 | 110.4 | I83 L210 S216 I218 K227 L230 | I83-I214 HydrophobicContact CG2-CG1 4.47Å; L210-I214 HydrophobicContact CD1-CD1 3.83Å; L210-I214 HydrophobicContact CD1-CG1 4.11Å; L210-I214 HydrophobicContact CG-CD1 3.7Å; L210-I214 HydrophobicContact CG-CG1 4.46Å; L210-I214 WeakPolarHBondContact O-CB 3.4Å; L210-I214 WeakPolarHBondContact O-CD1 3.5Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.3Å; L210-I214 PolarHBondContact O-N 3.26Å; I214-S216 PolarHBondContact O-N 3.43Å; I214-I218 HydrophobicContact CG2-CD1 3.81Å; I214-I218 HydrophobicContact CG2-CG1 4.34Å; I214-I218 WeakPolarHBondContact O-CB 3.28Å; I214-I218 WeakPolarHBondContact O-CG1 2.9Å; I214-I218 PolarHBondContact O-N 3.45Å; I214-I218 VanDerWaalsContact O-N 3.08Å; I214-K227 HydrophobicContact CG2-CG 4.24Å; I214-L230 HydrophobicContact CB-CD2 4.48Å; I214-L230 HydrophobicContact CD1-CD2 3.33Å; I214-L230 HydrophobicContact CD1-CG 3.75Å; I214-L230 HydrophobicContact CG1-CD2 3.73Å; I214-L230 HydrophobicContact CG2-CD2 3.89Å |
| 215 | T | 88.3 | Confident | 83 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -31.7 | -176.2 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | T211 M212 Y213 K227 | T211-T215 WeakPolarHBondContact O-CB 3.21Å; T211-T215 PolarHBondContact O-N 3.37Å; T211-T215 PolarHBondContact O-OG1 3.06Å; M212-T215 PolarHBondContact O-N 3.27Å; Y213-T215 PolarHBondContact O-N 2.96Å; T215-K227 PolarHBondContact O-NZ 3.2Å |
| 216 | S | 82.9 | Confident | 82.3 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -90.2 | -31 | -176.8 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | M212 Y213 I214 | M212-S216 WeakPolarHBondContact O-CB 3.25Å; M212-S216 PolarHBondContact O-N 3.47Å; M212-S216 VanDerWaalsContact O-N 3.11Å; M212-S216 PolarHBondContact O-OG 2.88Å; Y213-S216 PolarHBondContact O-N 3.05Å; I214-S216 PolarHBondContact O-N 3.43Å |
| 217 | T | 78.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -91.4 | -39.8 | -175.4 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | Y213 K219 | Y213-T217 HydrophobicContact CD1-CG2 4.49Å; Y213-T217 HydrophobicContact CD2-CG2 3.82Å; Y213-T217 HydrophobicContact CE1-CG2 4.14Å; Y213-T217 HydrophobicContact CE2-CG2 3.41Å; Y213-T217 VanDerWaalsContact CE2-CG2 3.41Å; Y213-T217 HydrophobicContact CG-CG2 4.33Å; Y213-T217 WeakPolarHBondContact O-CG2 3.44Å; Y213-T217 PolarHBondContact O-N 3.09Å; Y213-T217 PolarHBondContact O-OG1 3.11Å; T217-K219 PolarHBondContact O-N 3.19Å |
| 218 | I | 74.4 | Confident | 81.3 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 32% | 0.323 | 36% | 0.357 | S | S | . | . | trans | -78.5 | 95.2 | -179.2 | -53.4 | -170.1 | 0 | 0 | 0 | 109.5 | I214 T220 | I214-I218 HydrophobicContact CG2-CD1 3.81Å; I214-I218 HydrophobicContact CG2-CG1 4.34Å; I214-I218 WeakPolarHBondContact O-CB 3.28Å; I214-I218 WeakPolarHBondContact O-CG1 2.9Å; I214-I218 PolarHBondContact O-N 3.45Å; I214-I218 VanDerWaalsContact O-N 3.08Å; I218-T220 WeakPolarHBondContact CG2-OG1 3.42Å | ||
| 219 | K | 67.8 | Low | 81 | Confident | 158 Ų | 158 | 71 Ų | 71 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | trans | -98.3 | 8.1 | 172.3 | -64.9 | -174.5 | 180 | -178.8 | 0 | 113.3 | T217 K221 | T217-K219 PolarHBondContact O-N 3.19Å; K219-K221 PolarHBondContact O-N 2.89Å | ||
| 220 | T | 59.4 | Low | 80.7 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | trans | -66.9 | 122.8 | -173.1 | 30.8 | 0 | 0 | 0 | 0 | 111.3 | I218 S222 | I218-T220 WeakPolarHBondContact CG2-OG1 3.42Å; T220-S222 PolarHBondContact O-N 3.38Å | ||
| 221 | K | 56.7 | Low | 80.6 | Confident | 208 Ų | 208 | 74.8 Ų | 74.8 | 90% | 0.904 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -6.1 | 177 | -65.8 | -178.3 | 178 | -178.1 | 0 | 113.6 | K219 | K219-K221 PolarHBondContact O-N 2.89Š|
| 222 | S | 56.1 | Low | 80.6 | Confident | 117 Ų | 117 | 78.8 Ų | 78.8 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23 | -162.9 | -164.5 | 0 | 0 | 0 | 0 | 115.2 | T220 | T220-S222 PolarHBondContact O-N 3.38Š|
| 223 | S | 65.9 | Low | 80.7 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | trans | -137 | 109.9 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | L225 A226 | S223-L225 VanDerWaalsContact C-N 3.27Å; S223-L225 PolarHBondContact O-N 3.36Å; S223-A226 VanDerWaalsContact OG-CB 3.25Å; S223-A226 WeakPolarHBondContact OG-CB 3.32Å; S223-A226 PolarHBondContact OG-N 3.28Å; S223-A226 VanDerWaalsContact OG-N 3.14Å | ||
| 224 | R | 76.9 | Confident | 80.9 | Confident | 235 Ų | 235 | 80.5 Ų | 80.5 | 89% | 0.887 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23 | 179.2 | -63.3 | -175.3 | -179.5 | -170.6 | 0.8 | 112.4 | ||
| 225 | L | 83.3 | Confident | 81.3 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -26.9 | -177.1 | -104.3 | 79.3 | 0 | 0 | 0 | 114.8 | S223 K227 P228 V229 | S223-L225 VanDerWaalsContact C-N 3.27Å; S223-L225 PolarHBondContact O-N 3.36Å; L225-K227 VanDerWaalsContact C-N 3.31Å; L225-K227 PolarHBondContact O-N 3.3Å; L225-P228 WeakPolarHBondContact O-CD 3.44Å; L225-P228 VanDerWaalsContact O-CG 3.27Å; L225-P228 WeakPolarHBondContact O-CG 3.33Å; L225-V229 WeakPolarHBondContact O-CB 3.34Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 3Å |
| 226 | A | 84.1 | Confident | 81.7 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S223 L230 | S223-A226 VanDerWaalsContact OG-CB 3.25Å; S223-A226 WeakPolarHBondContact OG-CB 3.32Å; S223-A226 PolarHBondContact OG-N 3.28Å; S223-A226 VanDerWaalsContact OG-N 3.14Å; A226-L230 WeakPolarHBondContact O-CB 3.5Å; A226-L230 PolarHBondContact O-N 2.79Å |
| 227 | K | 85.7 | Confident | 82.3 | Confident | 65 Ų | 65 | 85.3 Ų | 85.3 | 28% | 0.283 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -56.4 | 178.5 | 171.1 | 170.3 | 158.5 | 170.5 | 0 | 113.1 | I214 T215 L225 V229 L230 C231 | I214-K227 HydrophobicContact CG2-CG 4.24Å; T215-K227 PolarHBondContact O-NZ 3.2Å; L225-K227 VanDerWaalsContact C-N 3.31Å; L225-K227 PolarHBondContact O-N 3.3Å; K227-V229 VanDerWaalsContact C-N 3.27Å; K227-V229 PolarHBondContact O-N 3.49Å; K227-L230 PolarHBondContact O-N 3.31Å; K227-C231 PolarHBondContact O-N 2.71Å; K227-C231 PolarHBondContact O-SG 2.92Å |
| 228 | P | 89.1 | Confident | 83.2 | Confident | 70 Ų | 70 | 85 Ų | 85 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -34 | 178.3 | 21.8 | -32.1 | 0 | 0 | 0 | 112.6 | L225 L232 | L225-P228 WeakPolarHBondContact O-CD 3.44Å; L225-P228 VanDerWaalsContact O-CG 3.27Å; L225-P228 WeakPolarHBondContact O-CG 3.33Å; P228-L232 WeakPolarHBondContact O-CB 3.44Å; P228-L232 PolarHBondContact O-N 3.26Å |
| 229 | V | 91.6 | Very high | 84.3 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L225 K227 G233 | L225-V229 WeakPolarHBondContact O-CB 3.34Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 3Å; K227-V229 VanDerWaalsContact C-N 3.27Å; K227-V229 PolarHBondContact O-N 3.49Å; V229-G233 PolarHBondContact O-N 2.95Å |
| 230 | L | 90.5 | Very high | 85.7 | Confident | 72 Ų | 72 | 84.5 Ų | 84.5 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 177.4 | -170.6 | 74.8 | 0 | 0 | 0 | 111.3 | I214 A226 K227 G233 T234 | I214-L230 HydrophobicContact CB-CD2 4.48Å; I214-L230 HydrophobicContact CD1-CD2 3.33Å; I214-L230 HydrophobicContact CD1-CG 3.75Å; I214-L230 HydrophobicContact CG1-CD2 3.73Å; I214-L230 HydrophobicContact CG2-CD2 3.89Å; A226-L230 WeakPolarHBondContact O-CB 3.5Å; A226-L230 PolarHBondContact O-N 2.79Å; K227-L230 PolarHBondContact O-N 3.31Å; L230-G233 PolarHBondContact O-N 2.67Å; L230-T234 WeakPolarHBondContact O-CG2 3.49Å; L230-T234 PolarHBondContact O-N 3.4Å; L230-T234 PolarHBondContact O-OG1 2.89Å |
| 231 | C | 93.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 81.3 Ų | 81.3 | 8% | 0.081 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 177.5 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | T211 K227 G233 T234 L235 | T211-C231 HydrophobicContact CG2-CB 3.79Å; K227-C231 PolarHBondContact O-N 2.71Å; K227-C231 PolarHBondContact O-SG 2.92Å; C231-G233 VanDerWaalsContact C-N 3.31Å; C231-G233 PolarHBondContact O-N 2.96Å; C231-T234 PolarHBondContact O-N 3.13Å; C231-T234 PolarHBondContact O-OG1 3.06Å; C231-L235 WeakPolarHBondContact O-CG 3.36Å; C231-L235 PolarHBondContact O-N 3.1Å |
| 232 | L | 94.5 | Very high | 89.3 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 178.9 | -175.8 | 62.7 | 0 | 0 | 0 | 111 | P228 T234 L235 C236 | P228-L232 WeakPolarHBondContact O-CB 3.44Å; P228-L232 PolarHBondContact O-N 3.26Å; L232-T234 VanDerWaalsContact C-N 3.35Å; L232-T234 PolarHBondContact O-N 3.31Å; L232-L235 PolarHBondContact O-N 2.83Å; L232-C236 VanDerWaalsContact O-CB 3.28Å; L232-C236 WeakPolarHBondContact O-CB 3.08Å; L232-C236 PolarHBondContact O-N 3.18Å; L232-C236 PolarHBondContact O-SG 3.29Å |
| 233 | G | 95.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V229 L230 C231 C236 S237 | V229-G233 PolarHBondContact O-N 2.95Å; L230-G233 PolarHBondContact O-N 2.67Å; C231-G233 VanDerWaalsContact C-N 3.31Å; C231-G233 PolarHBondContact O-N 2.96Å; G233-C236 PolarHBondContact O-N 3.13Å; G233-S237 PolarHBondContact O-N 3.47Å; G233-S237 PolarHBondContact O-OG 3.49Å |
| 234 | T | 95.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 68 Ų | 68 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67 | -37 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | A207 L210 T211 L230 C231 L232 S237 A238 | A207-T234 WeakPolarHBondContact CB-O 3.38Å; L210-T234 HydrophobicContact CD2-CG2 3.68Å; L210-T234 HydrophobicContact CG-CG2 4.38Å; T211-T234 PolarHBondContact OG1-OG1 2.81Å; L230-T234 WeakPolarHBondContact O-CG2 3.49Å; L230-T234 PolarHBondContact O-N 3.4Å; L230-T234 PolarHBondContact O-OG1 2.89Å; C231-T234 PolarHBondContact O-N 3.13Å; C231-T234 PolarHBondContact O-OG1 3.06Å; L232-T234 VanDerWaalsContact C-N 3.35Å; L232-T234 PolarHBondContact O-N 3.31Å; T234-S237 PolarHBondContact O-OG 3.15Å; T234-A238 PolarHBondContact O-N 2.93Å |
| 235 | L | 97.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 177 | -68.7 | 170.6 | 0 | 0 | 0 | 111.6 | A207 V208 C231 L232 A238 F239 | A207-L235 HydrophobicContact CB-CD2 4.14Å; V208-L235 HydrophobicContact CG2-CD2 3.96Å; C231-L235 WeakPolarHBondContact O-CG 3.36Å; C231-L235 PolarHBondContact O-N 3.1Å; L232-L235 PolarHBondContact O-N 2.83Å; L235-A238 PolarHBondContact O-N 3.41Å; L235-F239 WeakPolarHBondContact O-CB 3.38Å; L235-F239 PolarHBondContact O-N 3.43Å |
| 236 | C | 97.5 | Very high | 94.1 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.6 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | L232 G233 F239 L240 | L232-C236 VanDerWaalsContact O-CB 3.28Å; L232-C236 WeakPolarHBondContact O-CB 3.08Å; L232-C236 PolarHBondContact O-N 3.18Å; L232-C236 PolarHBondContact O-SG 3.29Å; G233-C236 PolarHBondContact O-N 3.13Å; C236-F239 PolarHBondContact O-N 3.42Å; C236-L240 WeakPolarHBondContact O-CB 3.16Å; C236-L240 VanDerWaalsContact O-CG 3.3Å; C236-L240 WeakPolarHBondContact O-CG 3.44Å; C236-L240 PolarHBondContact O-N 3.25Å |
| 237 | S | 95.8 | Very high | 94.7 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | G233 T234 L240 A241 | G233-S237 PolarHBondContact O-N 3.47Å; G233-S237 PolarHBondContact O-OG 3.49Å; T234-S237 PolarHBondContact O-OG 3.15Å; S237-L240 PolarHBondContact O-N 2.98Å; S237-A241 PolarHBondContact O-N 2.92Å |
| 238 | A | 97.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S203 V204 A207 T234 L235 L240 A241 G242 | S203-A238 WeakPolarHBondContact O-CB 3.47Å; S203-A238 PolarHBondContact OG-O 2.95Å; V204-A238 HydrophobicContact CB-CB 4.45Å; A207-A238 HydrophobicContact CB-CB 3.69Å; T234-A238 PolarHBondContact O-N 2.93Å; L235-A238 PolarHBondContact O-N 3.41Å; A238-L240 PolarHBondContact O-N 3.35Å; A238-A241 PolarHBondContact O-N 3.3Å; A238-G242 PolarHBondContact O-N 2.82Å |
| 239 | F | 97.5 | Very high | 95.4 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.5 | -175.9 | -108.4 | 0 | 0 | 0 | 112 | L235 C236 A241 G242 L243 F260 | L235-F239 WeakPolarHBondContact O-CB 3.38Å; L235-F239 PolarHBondContact O-N 3.43Å; C236-F239 PolarHBondContact O-N 3.42Å; F239-A241 VanDerWaalsContact C-N 3.35Å; F239-A241 PolarHBondContact O-N 3.47Å; F239-G242 PolarHBondContact O-N 3.37Å; F239-L243 HydrophobicContact CD1-CD1 3.86Å; F239-L243 HydrophobicContact CD1-CG 4.28Å; F239-L243 HydrophobicContact CE1-CD1 3.38Å; F239-L243 HydrophobicContact CE1-CD2 4.42Å; F239-L243 HydrophobicContact CE1-CG 3.93Å; F239-L243 HydrophobicContact CZ-CD1 3.95Å; F239-L243 HydrophobicContact CZ-CD2 4.16Å; F239-L243 HydrophobicContact CZ-CG 4.11Å; F239-L243 PolarHBondContact O-N 2.97Å; F239-F260 AromaticContact CD2-CE2 3.69Å; F239-F260 HydrophobicContact CD2-CE2 3.69Å; F239-F260 HydrophobicContact CD2-CZ 4.12Å; F239-F260 HydrophobicContact CE2-CE2 4.11Å |
| 240 | L | 96.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.7 | -70 | 173.3 | 0 | 0 | 0 | 112.4 | C236 S237 A238 G242 L243 N244 | C236-L240 WeakPolarHBondContact O-CB 3.16Å; C236-L240 VanDerWaalsContact O-CG 3.3Å; C236-L240 WeakPolarHBondContact O-CG 3.44Å; C236-L240 PolarHBondContact O-N 3.25Å; S237-L240 PolarHBondContact O-N 2.98Å; A238-L240 PolarHBondContact O-N 3.35Å; L240-G242 VanDerWaalsContact C-N 3.3Å; L240-G242 PolarHBondContact O-N 2.6Å; L240-L243 HydrophobicContact CD2-CD1 4.4Å; L240-L243 PolarHBondContact O-N 2.98Å; L240-N244 VanDerWaalsContact O-CG 3.24Å; L240-N244 PolarHBondContact O-N 3.5Å; L240-N244 PolarHBondContact O-ND2 3.42Å |
| 241 | A | 95.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L72 S237 A238 F239 | L72-A241 HydrophobicContact CD1-CB 4.08Å; S237-A241 PolarHBondContact O-N 2.92Å; A238-A241 PolarHBondContact O-N 3.3Å; F239-A241 VanDerWaalsContact C-N 3.35Å; F239-A241 PolarHBondContact O-N 3.47Å |
| 242 | G | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A238 F239 L240 N244 R245 | A238-G242 PolarHBondContact O-N 2.82Å; F239-G242 PolarHBondContact O-N 3.37Å; L240-G242 VanDerWaalsContact C-N 3.3Å; L240-G242 PolarHBondContact O-N 2.6Å; G242-N244 VanDerWaalsContact C-N 3.29Å; G242-N244 PolarHBondContact O-N 3.37Å; G242-R245 WeakPolarHBondContact O-CB 3.24Å; G242-R245 PolarHBondContact O-N 3.37Å; G242-R245 VanDerWaalsContact O-N 3.14Å |
| 243 | L | 96.6 | Very high | 96.1 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 176.7 | -72.8 | -175.7 | 0 | 0 | 0 | 112.9 | F239 L240 R245 V246 S247 | F239-L243 HydrophobicContact CD1-CD1 3.86Å; F239-L243 HydrophobicContact CD1-CG 4.28Å; F239-L243 HydrophobicContact CE1-CD1 3.38Å; F239-L243 HydrophobicContact CE1-CD2 4.42Å; F239-L243 HydrophobicContact CE1-CG 3.93Å; F239-L243 HydrophobicContact CZ-CD1 3.95Å; F239-L243 HydrophobicContact CZ-CD2 4.16Å; F239-L243 HydrophobicContact CZ-CG 4.11Å; F239-L243 PolarHBondContact O-N 2.97Å; L240-L243 HydrophobicContact CD2-CD1 4.4Å; L240-L243 PolarHBondContact O-N 2.98Å; L243-R245 PolarHBondContact O-N 2.98Å; L243-V246 WeakPolarHBondContact O-CB 3.17Å; L243-V246 PolarHBondContact O-N 3.22Å; L243-S247 PolarHBondContact O-N 3.3Å |
| 244 | N | 95.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -33.8 | 176.4 | -72.9 | -22.2 | 0 | 0 | 0 | 112 | V67 L240 G242 V246 S247 E248 | V67-N244 WeakPolarHBondContact CG2-ND2 3.11Å; L240-N244 VanDerWaalsContact O-CG 3.24Å; L240-N244 PolarHBondContact O-N 3.5Å; L240-N244 PolarHBondContact O-ND2 3.42Å; G242-N244 VanDerWaalsContact C-N 3.29Å; G242-N244 PolarHBondContact O-N 3.37Å; N244-V246 VanDerWaalsContact C-N 3.32Å; N244-V246 PolarHBondContact O-N 3.34Å; N244-S247 WeakPolarHBondContact CA-OG 3.41Å; N244-S247 PolarHBondContact O-N 2.94Å; N244-S247 PolarHBondContact O-OG 2.79Å; N244-E248 WeakPolarHBondContact O-CB 3.4Å; N244-E248 WeakPolarHBondContact O-CG 3.15Å; N244-E248 PolarHBondContact O-N 3.24Å |
| 245 | R | 95.3 | Very high | 96.3 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.038 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 176.5 | -66.6 | -71.2 | 143.6 | 176.3 | -4.6 | 112.8 | E62 V67 D199 G242 L243 R250 N251 V256 | E62-R245 IonicContact OE1-NH1 3.52Å; E62-R245 IonicContact OE2-CZ 3.21Å; E62-R245 IonicContact OE2-NH1 3.34Å; E62-R245 PolarHBondContact OE2-NH1 3.02Å; E62-R245 IonicContact OE2-NH2 3.56Å; V67-R245 PolarHBondContact O-NH2 3.3Å; D199-R245 HydrophobicContact CB-CG 4.12Å; D199-R245 IonicContact OD2-CZ 2.72Å; D199-R245 IonicContact OD2-NE 2.7Å; D199-R245 PolarHBondContact OD2-NE 3.46Å; D199-R245 IonicContact OD2-NH1 3.85Å; D199-R245 IonicContact OD2-NH2 3.54Å; D199-R245 PolarHBondContact OD2-NH2 3.13Å; G242-R245 WeakPolarHBondContact O-CB 3.24Å; G242-R245 PolarHBondContact O-N 3.37Å; G242-R245 VanDerWaalsContact O-N 3.14Å; L243-R245 PolarHBondContact O-N 2.98Å; R245-R250 PolarHBondContact O-N 2.82Å; R245-N251 HydrophobicContact CB-CB 4.17Å; R245-N251 WeakPolarHBondContact CB-OD1 3.42Å; R245-N251 PolarHBondContact O-N 2.78Å; R245-V256 HydrophobicContact CB-CG2 4.34Å |
| 246 | V | 96.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 22% | 0.218 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.5 | -44.2 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | L243 N244 E248 Y249 C253 V256 | L243-V246 WeakPolarHBondContact O-CB 3.17Å; L243-V246 PolarHBondContact O-N 3.22Å; N244-V246 VanDerWaalsContact C-N 3.32Å; N244-V246 PolarHBondContact O-N 3.34Å; V246-E248 VanDerWaalsContact C-N 3.25Å; V246-E248 PolarHBondContact O-N 3.08Å; V246-Y249 PolarHBondContact O-N 2.85Å; V246-C253 VanDerWaalsContact CG1-SG 3.51Å; V246-V256 HydrophobicContact CG2-CB 4.39Å; V246-V256 HydrophobicContact CG2-CG2 3.76Å |
| 247 | S | 95.2 | Very high | 96.4 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 54% | 0.538 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -29.2 | -178.3 | 64.7 | 0 | 0 | 0 | 0 | 113 | L243 N244 Y249 | L243-S247 PolarHBondContact O-N 3.3Å; N244-S247 WeakPolarHBondContact CA-OG 3.41Å; N244-S247 PolarHBondContact O-N 2.94Å; N244-S247 PolarHBondContact O-OG 2.79Å; S247-Y249 VanDerWaalsContact C-N 3.28Å |
| 248 | E | 94.7 | Very high | 96.5 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.6 | 173.2 | -69.1 | -177.8 | -176 | 0 | 0 | 113.8 | P59 S65 F66 N244 V246 R250 | P59-E248 HydrophobicContact CB-CB 4.48Å; P59-E248 VanDerWaalsContact CB-O 3.3Å; P59-E248 WeakPolarHBondContact CB-O 3.44Å; P59-E248 WeakPolarHBondContact CG-O 3.28Å; S65-E248 WeakPolarHBondContact CA-OE1 3.26Å; S65-E248 WeakPolarHBondContact CB-OE2 3.44Å; S65-E248 PolarHBondContact OG-OE2 3.2Å; F66-E248 WeakPolarHBondContact CB-OE1 3.36Å; F66-E248 PolarHBondContact N-OE1 3.39Å; N244-E248 WeakPolarHBondContact O-CB 3.4Å; N244-E248 WeakPolarHBondContact O-CG 3.15Å; N244-E248 PolarHBondContact O-N 3.24Å; V246-E248 VanDerWaalsContact C-N 3.25Å; V246-E248 PolarHBondContact O-N 3.08Å; E248-R250 HydrophobicContact CB-CG 4.08Å; E248-R250 PolarHBondContact O-N 2.7Å; E248-R250 VanDerWaalsContact O-N 3.09Å; E248-R250 IonicContact OE2-CZ 2.87Å; E248-R250 IonicContact OE2-NE 3.71Å; E248-R250 PolarHBondContact OE2-NE 3.16Å; E248-R250 IonicContact OE2-NH2 2.78Å |
| 249 | Y | 95.1 | Very high | 96.6 | Very high | 102 Ų | 102 | 44.3 Ų | 44.3 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 18 | -176.6 | -50.9 | -56.1 | 0 | 0 | 0 | 114.7 | K56 P57 P153 Y154 V246 S247 | K56-Y249 HydrophobicContact CB-CD1 4.17Å; K56-Y249 HydrophobicContact CB-CD2 4.09Å; K56-Y249 HydrophobicContact CB-CG 3.76Å; K56-Y249 HydrophobicContact CD-CD1 4.32Å; K56-Y249 HydrophobicContact CD-CE1 4.39Å; K56-Y249 HydrophobicContact CG-CD1 3.94Å; K56-Y249 HydrophobicContact CG-CE1 4.49Å; K56-Y249 HydrophobicContact CG-CG 4.06Å; P57-Y249 HydrophobicContact CG-CD2 4.01Å; P57-Y249 HydrophobicContact CG-CE2 3.93Å; P153-Y249 WeakPolarHBondContact CB-O 3.49Å; P153-Y249 WeakPolarHBondContact CD-O 3.38Å; P153-Y249 VanDerWaalsContact CG-O 3.27Å; P153-Y249 WeakPolarHBondContact CG-O 3.33Å; Y154-Y249 WeakPolarHBondContact CD1-O 3.21Å; V246-Y249 PolarHBondContact O-N 2.85Å; S247-Y249 VanDerWaalsContact C-N 3.28Å |
| 250 | R | 95 | Very high | 96.6 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -76.8 | -29.4 | 179.6 | -67.4 | -170.5 | -171.3 | -106.6 | -0.1 | 112.8 | P59 T61 E62 S65 S152 Y154 R245 E248 | P59-R250 HydrophobicContact CG-CG 3.87Å; T61-R250 PolarHBondContact O-NH2 3.05Å; E62-R250 IonicContact OE1-CZ 3.95Å; E62-R250 IonicContact OE1-NH1 3.87Å; E62-R250 PolarHBondContact OE1-NH1 3.2Å; E62-R250 IonicContact OE2-CZ 2.71Å; E62-R250 IonicContact OE2-NH1 2.92Å; E62-R250 PolarHBondContact OE2-NH1 2.79Å; S65-R250 PolarHBondContact OG-NE 3.31Å; S65-R250 PolarHBondContact OG-NH2 2.84Å; S152-R250 WeakPolarHBondContact CB-O 3.27Å; Y154-R250 HydrophobicContact CE1-CG 4.4Å; R245-R250 PolarHBondContact O-N 2.82Å; E248-R250 HydrophobicContact CB-CG 4.08Å; E248-R250 PolarHBondContact O-N 2.7Å; E248-R250 VanDerWaalsContact O-N 3.09Å; E248-R250 IonicContact OE2-CZ 2.87Å; E248-R250 IonicContact OE2-NE 3.71Å; E248-R250 PolarHBondContact OE2-NE 3.16Å; E248-R250 IonicContact OE2-NH2 2.78Å |
| 251 | N | 96.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -137.8 | 151.8 | 179.4 | -67.2 | 118.8 | 0 | 0 | 0 | 111.2 | S194 S197 R245 D255 V256 | S194-N251 PolarHBondContact O-ND2 2.96Å; S194-N251 PolarHBondContact OG-ND2 2.89Å; S194-N251 VanDerWaalsContact OG-ND2 3.1Å; S197-N251 PolarHBondContact OG-OD1 2.6Å; S197-N251 VanDerWaalsContact OG-OD1 3.06Å; R245-N251 HydrophobicContact CB-CB 4.17Å; R245-N251 WeakPolarHBondContact CB-OD1 3.42Å; R245-N251 PolarHBondContact O-N 2.78Å; N251-D255 HydrophobicContact CB-CB 4.2Å; N251-V256 HydrophobicContact CB-CG2 4.02Å |
| 252 | H | 96.6 | Very high | 96.9 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | trans | -73.8 | 157.6 | 165.4 | -62.8 | -87.3 | 0 | 0 | 0 | 110.3 | L151 S254 D255 V256 | L151-H252 PolarHBondContact O-CD2 2.83Å; L151-H252 PolarHBondContact O-NE2 2.98Å; H252-S254 WeakPolarHBondContact CB-OG 3.48Å; H252-S254 PolarHBondContact O-N 3.37Å; H252-D255 IonicContact CD2-OD2 3.91Å; H252-D255 IonicContact CG-OD2 2.96Å; H252-D255 PolarHBondContact N-OD2 3.09Å; H252-D255 WeakPolarHBondContact O-CB 3.39Å; H252-D255 PolarHBondContact O-N 2.04Å; H252-D255 VanDerWaalsContact O-N 3.07Å; H252-V256 PolarHBondContact O-N 3.47Å | ||
| 253 | C | 97.3 | Very high | 97 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 55% | 0.554 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -56.6 | -37 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | V246 D255 V256 V257 | V246-C253 VanDerWaalsContact CG1-SG 3.51Å; C253-D255 VanDerWaalsContact C-N 3.3Å; C253-D255 PolarHBondContact O-N 3.23Å; C253-V256 PolarHBondContact O-N 3.06Å; C253-V257 WeakPolarHBondContact O-CG2 3.36Å; C253-V257 PolarHBondContact O-N 3.38Å |
| 254 | S | 97.2 | Very high | 97.1 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 51% | 0.51 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.7 | -41.7 | 175.7 | 46 | 0 | 0 | 0 | 0 | 112.4 | H252 V256 V257 A258 | H252-S254 WeakPolarHBondContact CB-OG 3.48Å; H252-S254 PolarHBondContact O-N 3.37Å; S254-V256 VanDerWaalsContact C-N 3.33Å; S254-V256 PolarHBondContact O-N 3.26Å; S254-V257 PolarHBondContact O-N 2.94Å; S254-A258 WeakPolarHBondContact O-CB 3.36Å; S254-A258 PolarHBondContact O-N 3.14Å |
| 255 | D | 97.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -37.6 | -175.7 | -46.3 | -14.4 | 0 | 0 | 0 | 110.4 | S194 F195 S197 N251 H252 C253 G259 | S194-D255 PolarHBondContact OG-OD2 2.93Å; F195-D255 HydrophobicContact CD2-CB 4.13Å; F195-D255 WeakPolarHBondContact CD2-OD1 3.17Å; S197-D255 PolarHBondContact N-O 3.12Å; N251-D255 HydrophobicContact CB-CB 4.2Å; H252-D255 IonicContact CD2-OD2 3.91Å; H252-D255 IonicContact CG-OD2 2.96Å; H252-D255 PolarHBondContact N-OD2 3.09Å; H252-D255 WeakPolarHBondContact O-CB 3.39Å; H252-D255 PolarHBondContact O-N 2.04Å; H252-D255 VanDerWaalsContact O-N 3.07Å; C253-D255 VanDerWaalsContact C-N 3.3Å; C253-D255 PolarHBondContact O-N 3.23Å; D255-G259 PolarHBondContact O-N 2.96Å |
| 256 | V | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -44.1 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | A200 R245 V246 N251 H252 C253 S254 G259 F260 | A200-V256 HydrophobicContact CB-CB 4.36Å; A200-V256 HydrophobicContact CB-CG1 3.88Å; R245-V256 HydrophobicContact CB-CG2 4.34Å; V246-V256 HydrophobicContact CG2-CB 4.39Å; V246-V256 HydrophobicContact CG2-CG2 3.76Å; N251-V256 HydrophobicContact CB-CG2 4.02Å; H252-V256 PolarHBondContact O-N 3.47Å; C253-V256 PolarHBondContact O-N 3.06Å; S254-V256 VanDerWaalsContact C-N 3.33Å; S254-V256 PolarHBondContact O-N 3.26Å; V256-G259 PolarHBondContact O-N 3.38Å; V256-F260 HydrophobicContact CG1-CD2 4.06Å; V256-F260 HydrophobicContact CG1-CE1 4.4Å; V256-F260 HydrophobicContact CG1-CE2 3.58Å; V256-F260 HydrophobicContact CG1-CZ 3.77Å; V256-F260 WeakPolarHBondContact O-CG 3.43Å; V256-F260 PolarHBondContact O-N 2.94Å |
| 257 | V | 98.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | C253 S254 G259 F260 I261 | C253-V257 WeakPolarHBondContact O-CG2 3.36Å; C253-V257 PolarHBondContact O-N 3.38Å; S254-V257 PolarHBondContact O-N 2.94Å; V257-G259 VanDerWaalsContact C-N 3.27Å; V257-G259 PolarHBondContact O-N 3.04Å; V257-F260 PolarHBondContact O-N 3.24Å; V257-F260 VanDerWaalsContact O-N 3.16Å; V257-I261 HydrophobicContact CG1-CD1 3.96Å; V257-I261 WeakPolarHBondContact O-CG1 3.17Å; V257-I261 PolarHBondContact O-N 3.47Å |
| 258 | A | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F195 P196 S254 F260 I261 L262 | F195-A258 HydrophobicContact CD2-CB 4.39Å; F195-A258 HydrophobicContact CE2-CB 3.43Å; F195-A258 VanDerWaalsContact CE2-CB 3.43Å; F195-A258 HydrophobicContact CZ-CB 3.7Å; P196-A258 HydrophobicContact CB-CB 4.32Å; S254-A258 WeakPolarHBondContact O-CB 3.36Å; S254-A258 PolarHBondContact O-N 3.14Å; A258-F260 VanDerWaalsContact C-N 3.34Å; A258-F260 PolarHBondContact O-N 3.26Å; A258-I261 PolarHBondContact O-N 3.25Å; A258-L262 WeakPolarHBondContact O-CB 3.42Å; A258-L262 PolarHBondContact O-N 3Å |
| 259 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S201 D255 V256 V257 L262 G263 | S201-G259 VanDerWaalsContact CA-O 3.27Å; S201-G259 WeakPolarHBondContact CA-O 3.48Å; S201-G259 WeakPolarHBondContact CB-O 3.3Å; S201-G259 VanDerWaalsContact OG-C 3.23Å; S201-G259 WeakPolarHBondContact OG-CA 3.41Å; S201-G259 PolarHBondContact OG-O 3.38Å; D255-G259 PolarHBondContact O-N 2.96Å; V256-G259 PolarHBondContact O-N 3.38Å; V257-G259 VanDerWaalsContact C-N 3.27Å; V257-G259 PolarHBondContact O-N 3.04Å; G259-L262 PolarHBondContact O-N 2.94Å; G259-G263 PolarHBondContact O-N 2.69Å |
| 260 | F | 98.6 | Very high | 97.2 | Very high | 30 Ų | 30 | 40 Ų | 40 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.6 | -72.2 | -27.6 | 0 | 0 | 0 | 113.3 | A200 V204 F239 V256 V257 A258 S264 | A200-F260 HydrophobicContact CB-CD1 3.86Å; A200-F260 HydrophobicContact CB-CE1 3.73Å; A200-F260 HydrophobicContact CB-CZ 4.38Å; A200-F260 WeakPolarHBondContact O-CD1 3.41Å; V204-F260 HydrophobicContact CB-CD1 3.71Å; V204-F260 HydrophobicContact CB-CE1 4.27Å; V204-F260 HydrophobicContact CG1-CB 4.4Å; V204-F260 HydrophobicContact CG1-CD1 3.95Å; V204-F260 WeakPolarHBondContact CG1-O 3.47Å; V204-F260 HydrophobicContact CG2-CD1 4.2Å; F239-F260 AromaticContact CD2-CE2 3.69Å; F239-F260 HydrophobicContact CD2-CE2 3.69Å; F239-F260 HydrophobicContact CD2-CZ 4.12Å; F239-F260 HydrophobicContact CE2-CE2 4.11Å; V256-F260 HydrophobicContact CG1-CD2 4.06Å; V256-F260 HydrophobicContact CG1-CE1 4.4Å; V256-F260 HydrophobicContact CG1-CE2 3.58Å; V256-F260 HydrophobicContact CG1-CZ 3.77Å; V256-F260 WeakPolarHBondContact O-CG 3.43Å; V256-F260 PolarHBondContact O-N 2.94Å; V257-F260 PolarHBondContact O-N 3.24Å; V257-F260 VanDerWaalsContact O-N 3.16Å; A258-F260 VanDerWaalsContact C-N 3.34Å; A258-F260 PolarHBondContact O-N 3.26Å; F260-S264 VanDerWaalsContact O-CB 3.22Å; F260-S264 WeakPolarHBondContact O-CB 3.35Å; F260-S264 PolarHBondContact O-N 3.49Å; F260-S264 PolarHBondContact O-OG 2.85Å |
| 261 | I | 98.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 39.5 Ų | 39.5 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.9 | -48.2 | 176.6 | -68.4 | 166.5 | 0 | 0 | 0 | 109.9 | V257 A258 S264 A265 | V257-I261 HydrophobicContact CG1-CD1 3.96Å; V257-I261 WeakPolarHBondContact O-CG1 3.17Å; V257-I261 PolarHBondContact O-N 3.47Å; A258-I261 PolarHBondContact O-N 3.25Å; I261-S264 PolarHBondContact O-N 3.09Å; I261-A265 VanDerWaalsContact O-CB 3.29Å; I261-A265 WeakPolarHBondContact O-CB 3.4Å; I261-A265 PolarHBondContact O-N 3.07Å |
| 262 | L | 98.5 | Very high | 96.5 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -53.5 | -179.8 | 178.8 | 64.7 | 0 | 0 | 0 | 111.9 | F140 V141 P196 A258 G259 S264 A265 I266 | F140-L262 HydrophobicContact CB-CD1 4.29Å; F140-L262 HydrophobicContact CB-CD2 4.16Å; V141-L262 HydrophobicContact CG2-CD2 3.69Å; P196-L262 HydrophobicContact CG-CD2 4.31Å; A258-L262 WeakPolarHBondContact O-CB 3.42Å; A258-L262 PolarHBondContact O-N 3Å; G259-L262 PolarHBondContact O-N 2.94Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 2.96Å; L262-A265 PolarHBondContact O-N 2.87Å; L262-I266 HydrophobicContact CD1-CD1 4.02Å; L262-I266 HydrophobicContact CG-CD1 4.18Å; L262-I266 WeakPolarHBondContact O-CG1 3.4Å; L262-I266 PolarHBondContact O-N 3.22Å; L262-I266 VanDerWaalsContact O-N 3.09Å |
| 263 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G259 A267 | G259-G263 PolarHBondContact O-N 2.69Å; G263-A267 WeakPolarHBondContact O-CB 3.41Å; G263-A267 PolarHBondContact O-N 2.63Å |
| 264 | S | 98.2 | Very high | 95.3 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | F260 I261 L262 I266 A267 L268 | F260-S264 VanDerWaalsContact O-CB 3.22Å; F260-S264 WeakPolarHBondContact O-CB 3.35Å; F260-S264 PolarHBondContact O-N 3.49Å; F260-S264 PolarHBondContact O-OG 2.85Å; I261-S264 PolarHBondContact O-N 3.09Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 2.96Å; S264-I266 PolarHBondContact O-N 3.39Å; S264-A267 PolarHBondContact O-N 3.32Å; S264-L268 WeakPolarHBondContact O-CB 3.19Å; S264-L268 VanDerWaalsContact O-CG 3.22Å; S264-L268 WeakPolarHBondContact O-CG 2.99Å; S264-L268 PolarHBondContact O-N 3.27Å |
| 265 | A | 98.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I261 L262 L268 F269 | I261-A265 VanDerWaalsContact O-CB 3.29Å; I261-A265 WeakPolarHBondContact O-CB 3.4Å; I261-A265 PolarHBondContact O-N 3.07Å; L262-A265 PolarHBondContact O-N 2.87Å; A265-L268 PolarHBondContact O-N 2.89Å; A265-F269 VanDerWaalsContact O-CB 3.31Å; A265-F269 WeakPolarHBondContact O-CB 3.25Å; A265-F269 PolarHBondContact O-N 3.36Å |
| 266 | I | 97.6 | Very high | 93 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 177.4 | -62.9 | 170.4 | 0 | 0 | 0 | 110.6 | T137 F140 Y205 L262 S264 L268 F269 L270 | T137-I266 HydrophobicContact CG2-CD1 4.29Å; T137-I266 WeakPolarHBondContact OG1-CD1 3.24Å; F140-I266 HydrophobicContact CD2-CD1 3.87Å; Y205-I266 HydrophobicContact CD2-CB 4.21Å; Y205-I266 HydrophobicContact CD2-CG2 4Å; Y205-I266 HydrophobicContact CE2-CG2 3.87Å; L262-I266 HydrophobicContact CD1-CD1 4.02Å; L262-I266 HydrophobicContact CG-CD1 4.18Å; L262-I266 WeakPolarHBondContact O-CG1 3.4Å; L262-I266 PolarHBondContact O-N 3.22Å; L262-I266 VanDerWaalsContact O-N 3.09Å; S264-I266 PolarHBondContact O-N 3.39Å; I266-L268 PolarHBondContact O-N 3.27Å; I266-F269 PolarHBondContact O-N 3.46Å; I266-L270 HydrophobicContact CG2-CD1 3.97Å; I266-L270 HydrophobicContact CG2-CG 4.43Å; I266-L270 WeakPolarHBondContact O-CG 3.17Å; I266-L270 PolarHBondContact O-N 3.02Å |
| 267 | A | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y205 V208 G263 S264 G271 | Y205-A267 HydrophobicContact CD2-CB 3.68Å; Y205-A267 HydrophobicContact CE2-CB 3.99Å; Y205-A267 HydrophobicContact CG-CB 4.46Å; V208-A267 HydrophobicContact CB-CB 3.86Å; V208-A267 HydrophobicContact CG1-CB 3.66Å; G263-A267 WeakPolarHBondContact O-CB 3.41Å; G263-A267 PolarHBondContact O-N 2.63Å; S264-A267 PolarHBondContact O-N 3.32Å; A267-G271 PolarHBondContact O-N 3.34Å |
| 268 | L | 95.2 | Very high | 89.7 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 41% | 0.408 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 177.3 | -70.2 | 171.7 | 0 | 0 | 0 | 111.5 | V208 M212 S264 A265 I266 G271 I272 | V208-L268 HydrophobicContact CG1-CD2 4.33Å; V208-L268 HydrophobicContact CG1-CG 4.39Å; M212-L268 HydrophobicContact CE-CD2 4.48Å; M212-L268 HydrophobicContact SD-CD2 3.99Å; S264-L268 WeakPolarHBondContact O-CB 3.19Å; S264-L268 VanDerWaalsContact O-CG 3.22Å; S264-L268 WeakPolarHBondContact O-CG 2.99Å; S264-L268 PolarHBondContact O-N 3.27Å; A265-L268 PolarHBondContact O-N 2.89Å; I266-L268 PolarHBondContact O-N 3.27Å; L268-G271 PolarHBondContact O-N 3.35Å; L268-I272 HydrophobicContact CB-CD1 4.39Å; L268-I272 HydrophobicContact CD2-CD1 4.2Å; L268-I272 WeakPolarHBondContact O-CB 2.9Å; L268-I272 VanDerWaalsContact O-CG1 3.26Å; L268-I272 WeakPolarHBondContact O-CG1 3.34Å; L268-I272 PolarHBondContact O-N 3.25Å |
| 269 | F | 94.7 | Very high | 87.5 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -57.9 | -50.7 | 176.7 | 173.5 | -104.6 | 0 | 0 | 0 | 111.5 | A265 I266 C273 V274 | A265-F269 VanDerWaalsContact O-CB 3.31Å; A265-F269 WeakPolarHBondContact O-CB 3.25Å; A265-F269 PolarHBondContact O-N 3.36Å; I266-F269 PolarHBondContact O-N 3.46Å; F269-C273 HydrophobicContact CD2-CB 4.2Å; F269-C273 HydrophobicContact CE2-CB 4.2Å; F269-C273 WeakPolarHBondContact O-CA 3.15Å; F269-C273 WeakPolarHBondContact O-CB 3.35Å; F269-C273 PolarHBondContact O-N 3.07Å; F269-V274 HydrophobicContact CE1-CG2 4.44Å |
| 270 | L | 93.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -67.8 | -45.5 | -179.8 | -66.9 | 177.9 | 0 | 0 | 0 | 112.1 | V129 F132 Y205 I266 V274 V275 | V129-L270 HydrophobicContact CG1-CB 4.01Å; V129-L270 HydrophobicContact CG1-CD1 4.5Å; V129-L270 HydrophobicContact CG1-CD2 4.47Å; F132-L270 HydrophobicContact CD1-CD1 4.14Å; F132-L270 HydrophobicContact CD1-CD2 4.05Å; F132-L270 HydrophobicContact CE1-CD2 4.08Å; Y205-L270 HydrophobicContact CE2-CD1 4.2Å; I266-L270 HydrophobicContact CG2-CD1 3.97Å; I266-L270 HydrophobicContact CG2-CG 4.43Å; I266-L270 WeakPolarHBondContact O-CG 3.17Å; I266-L270 PolarHBondContact O-N 3.02Å; L270-V274 HydrophobicContact CD2-CB 4.39Å; L270-V274 HydrophobicContact CD2-CG2 3.79Å; L270-V274 WeakPolarHBondContact O-CB 3.24Å; L270-V274 PolarHBondContact O-N 3Å; L270-V274 VanDerWaalsContact O-N 3.13Å; L270-V275 WeakPolarHBondContact O-CG2 3.3Å; L270-V275 PolarHBondContact O-N 2.01Å |
| 271 | G | 88.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -68.8 | -37 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A267 L268 N277 | A267-G271 PolarHBondContact O-N 3.34Å; L268-G271 PolarHBondContact O-N 3.35Å; G271-N277 PolarHBondContact O-N 3.5Å |
| 272 | I | 87.3 | Confident | 79.4 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -85.7 | -53.9 | -179.7 | -59 | 174.8 | 0 | 0 | 0 | 110.5 | M212 L268 N276 | M212-I272 HydrophobicContact CE-CG1 3.67Å; L268-I272 HydrophobicContact CB-CD1 4.39Å; L268-I272 HydrophobicContact CD2-CD1 4.2Å; L268-I272 WeakPolarHBondContact O-CB 2.9Å; L268-I272 VanDerWaalsContact O-CG1 3.26Å; L268-I272 WeakPolarHBondContact O-CG1 3.34Å; L268-I272 PolarHBondContact O-N 3.25Å; I272-N276 WeakPolarHBondContact O-CA 3.47Å; I272-N276 PolarHBondContact O-N 3.47Å |
| 273 | C | 84 | Confident | 76.2 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 57% | 0.568 | 36% | 0.359 | S | S | * | . | I | π-helix | trans | -83.7 | -37.8 | -169.5 | -56 | 0 | 0 | 0 | 0 | 113.3 | F269 | F269-C273 HydrophobicContact CD2-CB 4.2Å; F269-C273 HydrophobicContact CE2-CB 4.2Å; F269-C273 WeakPolarHBondContact O-CA 3.15Å; F269-C273 WeakPolarHBondContact O-CB 3.35Å; F269-C273 PolarHBondContact O-N 3.07Å |
| 274 | V | 84.4 | Confident | 73.1 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | I | π-helix | trans | -93 | -47.3 | -174.6 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | R125 V129 F269 L270 N276 | R125-V274 PolarHBondContact NH2-O 3.13Å; V129-V274 HydrophobicContact CG1-CG1 4.4Å; V129-V274 HydrophobicContact CG2-CG1 4.2Å; F269-V274 HydrophobicContact CE1-CG2 4.44Å; L270-V274 HydrophobicContact CD2-CB 4.39Å; L270-V274 HydrophobicContact CD2-CG2 3.79Å; L270-V274 WeakPolarHBondContact O-CB 3.24Å; L270-V274 PolarHBondContact O-N 3Å; L270-V274 VanDerWaalsContact O-N 3.13Å; V274-N276 PolarHBondContact O-N 3.19Å |
| 275 | V | 78.9 | Confident | 70.1 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.03 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -76.8 | -17.1 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | R125 F126 V129 L270 F278 | R125-V275 PolarHBondContact NH2-O 3.23Å; F126-V275 HydrophobicContact CD1-CG1 3.77Å; F126-V275 HydrophobicContact CE1-CG1 3.41Å; F126-V275 VanDerWaalsContact CE1-CG1 3.41Å; V129-V275 HydrophobicContact CB-CG2 4.13Å; V129-V275 HydrophobicContact CG1-CG2 3.68Å; V129-V275 HydrophobicContact CG2-CG2 4.27Å; L270-V275 WeakPolarHBondContact O-CG2 3.3Å; L270-V275 PolarHBondContact O-N 2.01Å; V275-F278 HydrophobicContact CB-CE2 4.45Å; V275-F278 HydrophobicContact CB-CZ 4.4Å; V275-F278 HydrophobicContact CG1-CD1 3.66Å; V275-F278 HydrophobicContact CG1-CD2 4.13Å; V275-F278 HydrophobicContact CG1-CE1 3.79Å; V275-F278 HydrophobicContact CG1-CE2 4.25Å; V275-F278 HydrophobicContact CG1-CG 3.82Å; V275-F278 HydrophobicContact CG1-CZ 4.09Å; V275-F278 HydrophobicContact CG2-CE1 4.5Å; V275-F278 HydrophobicContact CG2-CZ 4.32Å |
| 276 | N | 67.8 | Low | 66.8 | Low | 121 Ų | 121 | 77.3 Ų | 77.3 | 65% | 0.647 | 44% | 0.439 | S | S | * | . | trans | 54.3 | 59 | -178.1 | -163.9 | 15.1 | 0 | 0 | 0 | 111.7 | I272 V274 | I272-N276 WeakPolarHBondContact O-CA 3.47Å; I272-N276 PolarHBondContact O-N 3.47Å; V274-N276 PolarHBondContact O-N 3.19Å | ||
| 277 | N | 63.4 | Low | 63.5 | Low | 73 Ų | 73 | 85.8 Ų | 85.8 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 57.7 | 177.3 | -83.8 | -56.8 | 0 | 0 | 0 | 114.2 | G271 K279 | G271-N277 PolarHBondContact O-N 3.5Å; N277-K279 WeakPolarHBondContact O-CA 3.41Å; N277-K279 VanDerWaalsContact O-CB 3.26Å; N277-K279 WeakPolarHBondContact O-CB 3.25Å; N277-K279 WeakPolarHBondContact O-CG 3.21Å; N277-K279 PolarHBondContact O-N 3.07Å |
| 278 | F | 64.7 | Low | 60.3 | Low | 4 Ų | 4 | 94.9 Ų | 94.9 | 2% | 0.018 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 29.1 | 10.3 | 165.3 | -68.3 | -87 | 0 | 0 | 0 | 120.8 | R122 F126 Y209 M212 Y213 V275 G280 | R122-F278 PolarHBondContact NH2-O 3.34Å; F126-F278 AromaticContact CD1-CD1 3.54Å; F126-F278 HydrophobicContact CD1-CD1 3.54Å; F126-F278 AromaticContact CD1-CE1 3.59Å; F126-F278 HydrophobicContact CD1-CE1 3.59Å; F126-F278 HydrophobicContact CE1-CB 4.45Å; F126-F278 AromaticContact CE1-CD1 3.28Å; F126-F278 HydrophobicContact CE1-CD1 3.28Å; F126-F278 AromaticContact CE1-CE1 3.85Å; F126-F278 HydrophobicContact CE1-CE1 3.85Å; F126-F278 HydrophobicContact CE1-CG 4.18Å; F126-F278 HydrophobicContact CG-CD1 4.33Å; F126-F278 HydrophobicContact CG-CE1 4.32Å; F126-F278 AromaticContact CZ-CD1 3.85Å; F126-F278 HydrophobicContact CZ-CD1 3.85Å; Y209-F278 HydrophobicContact CD1-CZ 4.45Å; Y209-F278 HydrophobicContact CD2-CZ 4.31Å; Y209-F278 HydrophobicContact CE1-CE1 4.12Å; Y209-F278 AromaticContact CE1-CZ 3.93Å; Y209-F278 HydrophobicContact CE1-CZ 3.93Å; Y209-F278 AromaticContact CE2-CZ 3.77Å; Y209-F278 HydrophobicContact CE2-CZ 3.77Å; Y209-F278 AromaticContact CZ-CE1 3.9Å; Y209-F278 AromaticContact CZ-CZ 3.58Å; M212-F278 HydrophobicContact CB-CD2 4.35Å; M212-F278 HydrophobicContact CB-CE2 3.85Å; M212-F278 HydrophobicContact CE-CE2 4.42Å; Y213-F278 AromaticContact CD2-CD1 3.76Å; Y213-F278 HydrophobicContact CD2-CD1 3.76Å; Y213-F278 AromaticContact CD2-CE1 3.91Å; Y213-F278 HydrophobicContact CD2-CE1 3.91Å; V275-F278 HydrophobicContact CB-CE2 4.45Å; V275-F278 HydrophobicContact CB-CZ 4.4Å; V275-F278 HydrophobicContact CG1-CD1 3.66Å; V275-F278 HydrophobicContact CG1-CD2 4.13Å; V275-F278 HydrophobicContact CG1-CE1 3.79Å; V275-F278 HydrophobicContact CG1-CE2 4.25Å; V275-F278 HydrophobicContact CG1-CG 3.82Å; V275-F278 HydrophobicContact CG1-CZ 4.09Å; V275-F278 HydrophobicContact CG2-CE1 4.5Å; V275-F278 HydrophobicContact CG2-CZ 4.32Å; F278-G280 PolarHBondContact O-N 3.19Å |
| 279 | K | 53.2 | Low | 57 | Low | 155 Ų | 155 | 100.6 Ų | 100.6 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | trans | -82.1 | 114.8 | -170.1 | -81.3 | 169.5 | -172.6 | -177.7 | 0 | 103.8 | N277 V281 | N277-K279 WeakPolarHBondContact O-CA 3.41Å; N277-K279 VanDerWaalsContact O-CB 3.26Å; N277-K279 WeakPolarHBondContact O-CB 3.25Å; N277-K279 WeakPolarHBondContact O-CG 3.21Å; N277-K279 PolarHBondContact O-N 3.07Å; K279-V281 PolarHBondContact O-N 3.37Å | ||
| 280 | G | 47.2 | Very low | 53.9 | Low | 36 Ų | 36 | 101.4 Ų | 101.4 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | trans | -50 | 132.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | F278 H282 | F278-G280 PolarHBondContact O-N 3.19Å; G280-H282 PolarHBondContact O-N 3.49Å | ||
| 281 | V | 39.5 | Very low | 50.8 | Low | 134 Ų | 134 | 110.1 Ų | 110.1 | 81% | 0.812 | 59% | 0.594 | S | S | * | * | trans | -37 | 106.6 | 179.2 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | K279 N283 | K279-V281 PolarHBondContact O-N 3.37Å; V281-N283 PolarHBondContact O-N 3.16Å | ||
| 282 | H | 38.9 | Very low | 47.8 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | trans | -65.7 | 128.2 | 166.8 | -133.9 | -83.3 | 0 | 0 | 0 | 105 | G280 | G280-H282 PolarHBondContact O-N 3.49Š| ||
| 283 | N | 30.8 | Very low | 45.2 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -44 | 127.9 | 163.6 | -74.3 | -24.4 | 0 | 0 | 0 | 107.2 | V281 A285 | V281-N283 PolarHBondContact O-N 3.16Å; N283-A285 PolarHBondContact O-N 2.93Å | ||
| 284 | P | 32.2 | Very low | 42.9 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | trans | -56.4 | 119.2 | 174.2 | 23.3 | -30.5 | 0 | 0 | 0 | 106.1 | T286 | P284-T286 PolarHBondContact O-N 3.04Š| ||
| 285 | A | 35.8 | Very low | 40.3 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -50.2 | 122.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | N283 K287 | N283-A285 PolarHBondContact O-N 2.93Å; A285-K287 PolarHBondContact O-N 3.36Å; A285-K287 VanDerWaalsContact O-N 3.14Å | ||
| 286 | T | 29.2 | Very low | 38.3 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | trans | -37.4 | 121.6 | 170.7 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | P284 Q288 | P284-T286 PolarHBondContact O-N 3.04Å; T286-Q288 PolarHBondContact O-N 3.05Å | ||
| 287 | K | 28.3 | Very low | 36.8 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -51 | 104.5 | 168.9 | -71.9 | -178.6 | 176.6 | -177.4 | 0 | 107.1 | A285 K289 | A285-K287 PolarHBondContact O-N 3.36Å; A285-K287 VanDerWaalsContact O-N 3.14Å; K287-K289 VanDerWaalsContact C-N 3.32Å; K287-K289 PolarHBondContact O-N 2.67Å | ||
| 288 | Q | 28.3 | Very low | 35.6 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -64.6 | 104.9 | 159.4 | -93 | 178.3 | -33.8 | 0 | 0 | 105.2 | T286 T290 | T286-Q288 PolarHBondContact O-N 3.05Å; Q288-T290 PolarHBondContact O-N 3.04Å | ||
| 289 | K | 26.9 | Very low | 34.2 | Very low | 198 Ų | 198 | 151.7 Ų | 151.7 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -52.2 | 126.1 | 163.8 | -113 | 179.9 | 172.6 | -175.4 | 0 | 106.9 | K287 E291 | K287-K289 VanDerWaalsContact C-N 3.32Å; K287-K289 PolarHBondContact O-N 2.67Å; K289-E291 PolarHBondContact O-N 3.21Å | ||
| 290 | T | 28.9 | Very low | 33.5 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -45.7 | 115.9 | 161.4 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | Q288 | Q288-T290 PolarHBondContact O-N 3.04Š| ||
| 291 | E | 28.5 | Very low | 32.9 | Very low | 189 Ų | 189 | 157.6 Ų | 157.6 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -110.5 | 125.9 | 157.1 | -104.4 | -167.1 | 166.3 | 0 | 0 | 108.8 | K289 Y293 | K289-E291 PolarHBondContact O-N 3.21Å; E291-Y293 PolarHBondContact O-N 3.33Å | ||
| 292 | E | 26.8 | Very low | 32.7 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 107.2 | -172.7 | -163.6 | 174.6 | -172.2 | 0 | 0 | 108.3 | R294 | E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 2.91Å | ||
| 293 | Y | 32.2 | Very low | 32.6 | Very low | 230 Ų | 230 | 159.2 Ų | 159.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -79.8 | 79.7 | 178.2 | -141 | -91.6 | 0 | 0 | 0 | 110 | E291 | E291-Y293 PolarHBondContact O-N 3.33Š| ||
| 294 | R | 34.3 | Very low | 32.8 | Very low | 242 Ų | 242 | 159.1 Ų | 159.1 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -133.1 | 98.3 | 160.5 | -109.3 | -172.5 | 179.6 | 169.9 | 0.8 | 108.8 | E292 | E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 2.91Å | ||
| 295 | G | 31.3 | Very low | 33.2 | Very low | 60 Ų | 60 | 160.2 Ų | 160.2 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | trans | 164.8 | 86.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 296 | L | 35.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 159.6 Ų | 159.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -58.3 | 146.4 | 160.2 | -114.1 | 84.6 | 0 | 0 | 0 | 109.5 | ||||
| 297 | P | 37.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 158.8 Ų | 158.8 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -127.5 | 139.7 | 127.9 | 26.5 | -12 | 0 | 0 | 0 | 112.4 | M299 | P297-M299 PolarHBondContact O-N 3.47Š| |||
| 298 | L | 37.3 | Very low | 34.4 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 116.3 | 176.7 | -160.8 | 87.2 | 0 | 0 | 0 | 110.6 | T300 | L298-T300 PolarHBondContact O-N 2.76Š|
| 299 | M | 36.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 117 | 169.8 | -84.5 | -74.4 | -143.7 | 0 | 0 | 109.8 | P297 | P297-M299 PolarHBondContact O-N 3.47Š|
| 300 | T | 38.4 | Very low | 36 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86 | 124.4 | 168.3 | -41.7 | 0 | 0 | 0 | 0 | 109 | L298 | L298-T300 PolarHBondContact O-N 2.76Š|
| 301 | F | 33.8 | Very low | 36.6 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 133.9 | 176.3 | -73.4 | -86.6 | 0 | 0 | 0 | 111.3 | ||
| 302 | P | 34.5 | Very low | 37.4 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 129.4 | 162.3 | 10 | 6.2 | 0 | 0 | 0 | 110.5 | ||
| 303 | R | 37.6 | Very low | 38.4 | Very low | 214 Ų | 214 | 141.6 Ų | 141.6 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 126.3 | 172.5 | -175.9 | -174.7 | 175.8 | 109.5 | 1.3 | 109.5 | E305 | R303-E305 IonicContact CZ-OE1 3.83Å; R303-E305 IonicContact NE-OE1 2.75Å; R303-E305 PolarHBondContact NE-OE1 3.15Å; R303-E305 IonicContact NH2-OE1 3.93Å; R303-E305 PolarHBondContact NH2-OE1 3.07Å |
| 304 | V | 36 | Very low | 38.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -132.5 | 117.1 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 305 | E | 38.9 | Very low | 39.2 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 145.7 | 177.5 | -98.3 | 117.8 | -155.2 | 0 | 0 | 112.3 | R303 | R303-E305 IonicContact CZ-OE1 3.83Å; R303-E305 IonicContact NE-OE1 2.75Å; R303-E305 PolarHBondContact NE-OE1 3.15Å; R303-E305 IonicContact NH2-OE1 3.93Å; R303-E305 PolarHBondContact NH2-OE1 3.07Å | ||
| 306 | S | 36 | Very low | 39.6 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 56% | 0.559 | 75% | 0.752 | S | S | * | * | trans | -85.6 | 138.6 | -175.2 | 167.1 | 0 | 0 | 0 | 0 | 112.6 | L308 | S306-L308 PolarHBondContact OG-N 3.33Š| ||
| 307 | P | 40.8 | Very low | 39.8 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -89.5 | 13.4 | 171.7 | -3.7 | 22.9 | 0 | 0 | 0 | 115.2 | ||
| 308 | L | 41.8 | Very low | 40.1 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -115.8 | 31.4 | -171.6 | -147.2 | 76.7 | 0 | 0 | 0 | 114 | S306 | S306-L308 PolarHBondContact OG-N 3.33Š|
| 309 | E | 45.3 | Very low | 40 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -117.7 | -3.9 | 169.8 | -74.8 | -170.6 | 137.1 | 0 | 0 | 113.2 | ||
| 310 | T | 43.9 | Very low | 40 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -89.1 | 1.3 | -177.4 | 37 | 0 | 0 | 0 | 0 | 115.2 | ||
| 311 | L | 41.3 | Very low | 39.7 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -109 | -11.5 | 178.7 | -79.5 | 163.6 | 0 | 0 | 0 | 115 | ||
| 312 | S | 45.1 | Very low | 39.8 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -94.9 | -11.9 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 313 | A | 47.3 | Very low | 39.8 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 314 | Q | 44.7 | Very low | 39.5 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -5.7 | -176 | -150.1 | 161.3 | -9.3 | 0 | 0 | 114.3 | ||
| 315 | N | 40.6 | Very low | 39.7 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -104.7 | 4.8 | -175.8 | -99.4 | 1.9 | 0 | 0 | 0 | 116.1 | ||
| 316 | H | 38.7 | Very low | 39.8 | Very low | 184 Ų | 184 | 136 Ų | 136 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -123.9 | 9.9 | 179.9 | -81.9 | -60.7 | 0 | 0 | 0 | 115.6 | ||
| 317 | S | 39.9 | Very low | 40 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -115.3 | 36.6 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 318 | A | 43.9 | Very low | 39.9 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -137.5 | 63.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 319 | S | 35.4 | Very low | 39.8 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -175.6 | 81 | 160.6 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 320 | M | 35.5 | Very low | 39.4 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 86% | 0.862 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -169.1 | 120.3 | 135.3 | -135.8 | 142.4 | 169 | 0 | 0 | 111.2 | ||
| 321 | T | 32.5 | Very low | 39.1 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | 72.7 | 99.2 | 154 | 51.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 322 | E | 35.1 | Very low | 39 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | -85.1 | 145.5 | 150.3 | -162 | 173.3 | -171.5 | 0 | 0 | 108.9 | ||||
| 323 | V | 35.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | trans | -105.7 | 106.4 | 175 | 173.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 324 | T | 32.3 | Very low | 37.6 | Very low | 210 Ų | 210 | 150.7 Ų | 150.7 | 100% | 1.288 | 86% | 0.859 | S | S | * | * | 164 | 0 | 127.6 | 17.7 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 324 of 324 residues in 53.7 ms
(Link to these results)