| 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 | 39.8 | Very low | 51.4 | Low | 251 Ų | 251 | 180.1 Ų | 180.1 | 100% | 1.236 | 88% | 0.878 | S | S | * | * | 0 | 118.6 | 0 | -67.1 | 175.4 | 176.4 | 0 | 0 | 108.3 | |||||
| 2 | A | 40.6 | Very low | 53 | Low | 102 Ų | 102 | 175.3 Ų | 175.3 | 84% | 0.843 | 87% | 0.871 | S | S | * | * | trans | -96.1 | 111.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K4 | A2-K4 PolarHBondContact O-N 3.45Š| ||
| 3 | S | 47.6 | Very low | 54.7 | Low | 118 Ų | 118 | 169 Ų | 169 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -75.1 | 108 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 110 | M5 | S3-M5 PolarHBondContact O-N 3.48Å; S3-M5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | K | 47.3 | Very low | 57.1 | Low | 198 Ų | 198 | 161.4 Ų | 161.4 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 108.5 | 173.2 | -79.7 | -176.5 | 174 | 178.2 | 0 | 109.2 | A2 K6 | A2-K4 PolarHBondContact O-N 3.45Å; K4-K6 PolarHBondContact O-N 3.13Å; K4-K6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | M | 55.4 | Low | 59.4 | Low | 179 Ų | 179 | 160.9 Ų | 160.9 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -57 | 117.8 | 169.8 | -71.9 | -178.5 | 70.5 | 0 | 0 | 109.3 | S3 D7 | S3-M5 PolarHBondContact O-N 3.48Å; S3-M5 VanDerWaalsContact O-N 3.16Å; M5-D7 PolarHBondContact O-N 3.35Å | ||
| 6 | K | 54.4 | Low | 61.4 | Low | 195 Ų | 195 | 161.9 Ų | 161.9 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 97.8 | 178.5 | -179.1 | 173.6 | 179.8 | 174.3 | 0 | 108.7 | K4 R8 | K4-K6 PolarHBondContact O-N 3.13Å; K4-K6 VanDerWaalsContact O-N 3.11Å; K6-R8 PolarHBondContact O-N 3.43Å | ||
| 7 | D | 49.3 | Very low | 63.4 | Low | 144 Ų | 144 | 155.8 Ų | 155.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -46.4 | 115.4 | 172.3 | -97.2 | -57.3 | 0 | 0 | 0 | 110.7 | M5 K9 | M5-D7 PolarHBondContact O-N 3.35Å; D7-K9 PolarHBondContact O-N 3.49Å | ||
| 8 | R | 55.9 | Low | 65.1 | Low | 241 Ų | 241 | 152.5 Ų | 152.5 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 80.6 | 172.2 | -81.8 | -178.5 | 161.7 | -134.9 | 0.6 | 108 | K6 R10 | K6-R8 PolarHBondContact O-N 3.43Å; R8-R10 PolarHBondContact O-N 3.43Å | ||
| 9 | K | 53.8 | Low | 66.7 | Low | 189 Ų | 189 | 146.6 Ų | 146.6 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -48.4 | 103.2 | 169.1 | -71.7 | -175.8 | 176.5 | -176.8 | 0 | 108.4 | D7 T11 | D7-K9 PolarHBondContact O-N 3.49Å; K9-T11 PolarHBondContact O-N 3.02Å | ||
| 10 | R | 60.9 | Low | 68.2 | Low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -59.6 | 106.6 | 170.1 | -75.9 | 179.2 | 173 | 174.1 | -1.9 | 106.2 | R8 | R8-R10 PolarHBondContact O-N 3.43Š| ||
| 11 | T | 60.7 | Low | 69.6 | Low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 122.3 | 175.7 | 33.2 | 0 | 0 | 0 | 0 | 108.1 | K9 I13 | K9-T11 PolarHBondContact O-N 3.02Å; T11-I13 PolarHBondContact O-N 3.06Å |
| 12 | P | 69.8 | Low | 72.4 | Confident | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 127.3 | -177.1 | 23.3 | -32.4 | 0 | 0 | 0 | 108.9 | S14 | P12-S14 PolarHBondContact O-N 2.9Å; P12-S14 VanDerWaalsContact O-N 3.1Å |
| 13 | I | 75.4 | Confident | 75.1 | Confident | 94 Ų | 94 | 141.6 Ų | 141.6 | 48% | 0.482 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 117.1 | -179.9 | -57.6 | 169.4 | 0 | 0 | 0 | 106.9 | T11 V17 I18 | T11-I13 PolarHBondContact O-N 3.06Å; I13-V17 HydrophobicContact CG2-CB 3.82Å; I13-V17 HydrophobicContact CG2-CG1 3.57Å; I13-I18 HydrophobicContact CB-CG1 4.33Å; I13-I18 HydrophobicContact CG2-CG1 3.79Å |
| 14 | S | 88.1 | Confident | 77.6 | Confident | 62 Ų | 62 | 138.8 Ų | 138.8 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 147.2 | -174.2 | 72.6 | 0 | 0 | 0 | 0 | 111.2 | P12 K16 V17 I18 | P12-S14 PolarHBondContact O-N 2.9Å; P12-S14 VanDerWaalsContact O-N 3.1Å; S14-K16 PolarHBondContact O-N 3.03Å; S14-K16 VanDerWaalsContact O-N 3.09Å; S14-V17 WeakPolarHBondContact O-CA 3.19Å; S14-V17 WeakPolarHBondContact O-CB 3.44Å; S14-V17 PolarHBondContact O-N 3.14Å; S14-V17 WeakPolarHBondContact OG-CG2 3.5Å; S14-I18 PolarHBondContact O-N 3.09Å; S14-I18 VanDerWaalsContact O-N 3.08Å |
| 15 | H | 92.3 | Very high | 80 | Confident | 154 Ų | 154 | 136.3 Ų | 136.3 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -50.9 | -37.8 | 178.3 | -176.2 | -99 | 0 | 0 | 0 | 112.3 | V17 I18 E19 | H15-V17 PolarHBondContact O-N 2.84Å; H15-I18 PolarHBondContact O-N 3.22Å; H15-E19 PolarHBondContact O-N 3.47Å |
| 16 | K | 91.5 | Very high | 82 | Confident | 178 Ų | 178 | 131 Ų | 131 | 77% | 0.774 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.8 | -40.4 | 174 | -66.4 | -176.4 | 177.5 | -179.3 | 0 | 112.9 | S14 K20 | S14-K16 PolarHBondContact O-N 3.03Å; S14-K16 VanDerWaalsContact O-N 3.09Å; K16-K20 WeakPolarHBondContact O-CB 3.49Å; K16-K20 PolarHBondContact O-N 3.33Å |
| 17 | V | 94.2 | Very high | 84.1 | Confident | 58 Ų | 58 | 124.7 Ų | 124.7 | 35% | 0.352 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.4 | -37.1 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.5 | I13 S14 H15 R21 | I13-V17 HydrophobicContact CG2-CB 3.82Å; I13-V17 HydrophobicContact CG2-CG1 3.57Å; S14-V17 WeakPolarHBondContact O-CA 3.19Å; S14-V17 WeakPolarHBondContact O-CB 3.44Å; S14-V17 PolarHBondContact O-N 3.14Å; S14-V17 WeakPolarHBondContact OG-CG2 3.5Å; H15-V17 PolarHBondContact O-N 2.84Å; V17-R21 WeakPolarHBondContact O-CG 3.45Å; V17-R21 PolarHBondContact O-N 2.94Å |
| 18 | I | 94.4 | Very high | 86.4 | Confident | 96 Ų | 96 | 124.8 Ų | 124.8 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -49.9 | 175.1 | -59.7 | 176.5 | 0 | 0 | 0 | 110.1 | I13 S14 H15 K20 R21 R22 | I13-I18 HydrophobicContact CB-CG1 4.33Å; I13-I18 HydrophobicContact CG2-CG1 3.79Å; S14-I18 PolarHBondContact O-N 3.09Å; S14-I18 VanDerWaalsContact O-N 3.08Å; H15-I18 PolarHBondContact O-N 3.22Å; I18-K20 PolarHBondContact O-N 2.75Å; I18-R21 PolarHBondContact O-N 3.12Å; I18-R22 PolarHBondContact O-N 3.35Å |
| 19 | E | 96.5 | Very high | 88.4 | Confident | 41 Ų | 41 | 116.8 Ų | 116.8 | 19% | 0.192 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -65 | -38.7 | 179.5 | 174.3 | 57.8 | -175.5 | 0 | 0 | 112.3 | H15 R21 R22 R23 | H15-E19 PolarHBondContact O-N 3.47Å; E19-R21 PolarHBondContact O-N 3.28Å; E19-R22 WeakPolarHBondContact O-CB 3.44Å; E19-R22 PolarHBondContact O-N 2.82Å; E19-R22 IonicContact OE1-CZ 3.35Å; E19-R22 IonicContact OE1-NE 2.71Å; E19-R22 IonicContact OE1-NH2 2.74Å; E19-R22 PolarHBondContact OE1-NH2 3.03Å; E19-R22 IonicContact OE2-CZ 3.14Å; E19-R22 IonicContact OE2-NE 3.76Å; E19-R22 PolarHBondContact OE2-NE 3.16Å; E19-R22 IonicContact OE2-NH2 2.82Å; E19-R22 PolarHBondContact OE2-NH2 3.48Å; E19-R22 VanDerWaalsContact OE2-NH2 3.14Å; E19-R23 WeakPolarHBondContact O-CG 3.45Å; E19-R23 PolarHBondContact O-N 3.38Å; E19-R23 IonicContact OE1-CZ 2.68Å; E19-R23 IonicContact OE1-NE 3.03Å; E19-R23 PolarHBondContact OE1-NE 3.43Å; E19-R23 IonicContact OE1-NH2 3.33Å; E19-R23 PolarHBondContact OE1-NH2 3Å |
| 20 | K | 96.4 | Very high | 90.5 | Very high | 134 Ų | 134 | 108.5 Ų | 108.5 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.8 | -51.4 | 171.8 | -175.8 | 178.3 | 177.9 | -179.9 | 0 | 111 | K16 I18 R22 R23 D24 | K16-K20 WeakPolarHBondContact O-CB 3.49Å; K16-K20 PolarHBondContact O-N 3.33Å; I18-K20 PolarHBondContact O-N 2.75Å; K20-R22 VanDerWaalsContact C-N 3.27Å; K20-R22 PolarHBondContact O-N 3.17Å; K20-R23 PolarHBondContact O-N 3.42Å; K20-R23 VanDerWaalsContact O-N 3.14Å; K20-D24 PolarHBondContact O-N 3.46Å |
| 21 | R | 97.4 | Very high | 92.2 | Very high | 148 Ų | 148 | 102 Ų | 102 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -35.2 | 178 | -72 | 174 | 178.9 | -176.1 | 0.3 | 112.7 | V17 I18 E19 R25 | V17-R21 WeakPolarHBondContact O-CG 3.45Å; V17-R21 PolarHBondContact O-N 2.94Å; I18-R21 PolarHBondContact O-N 3.12Å; E19-R21 PolarHBondContact O-N 3.28Å; R21-R25 WeakPolarHBondContact O-CB 3.46Å; R21-R25 PolarHBondContact O-N 2.79Å; R21-R25 VanDerWaalsContact O-N 3.07Å |
| 22 | R | 98.4 | Very high | 93.9 | Very high | 112 Ų | 112 | 100.6 Ų | 100.6 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 174.1 | -169.1 | -173.4 | 69.6 | 104 | 2.1 | 111.3 | I18 E19 K20 R25 I26 | I18-R22 PolarHBondContact O-N 3.35Å; E19-R22 WeakPolarHBondContact O-CB 3.44Å; E19-R22 PolarHBondContact O-N 2.82Å; E19-R22 IonicContact OE1-CZ 3.35Å; E19-R22 IonicContact OE1-NE 2.71Å; E19-R22 IonicContact OE1-NH2 2.74Å; E19-R22 PolarHBondContact OE1-NH2 3.03Å; E19-R22 IonicContact OE2-CZ 3.14Å; E19-R22 IonicContact OE2-NE 3.76Å; E19-R22 PolarHBondContact OE2-NE 3.16Å; E19-R22 IonicContact OE2-NH2 2.82Å; E19-R22 PolarHBondContact OE2-NH2 3.48Å; E19-R22 VanDerWaalsContact OE2-NH2 3.14Å; K20-R22 VanDerWaalsContact C-N 3.27Å; K20-R22 PolarHBondContact O-N 3.17Å; R22-R25 PolarHBondContact O-N 2.95Å; R22-I26 HydrophobicContact CG-CD1 4.12Å; R22-I26 WeakPolarHBondContact O-CG1 3.07Å; R22-I26 PolarHBondContact O-N 2.91Å |
| 23 | R | 98.3 | Very high | 95.2 | Very high | 146 Ų | 146 | 97.3 Ų | 97.3 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 177.2 | -68.8 | 176.9 | -172.3 | -166.8 | 1.6 | 111.9 | E19 K20 R25 I26 N27 | E19-R23 WeakPolarHBondContact O-CG 3.45Å; E19-R23 PolarHBondContact O-N 3.38Å; E19-R23 IonicContact OE1-CZ 2.68Å; E19-R23 IonicContact OE1-NE 3.03Å; E19-R23 PolarHBondContact OE1-NE 3.43Å; E19-R23 IonicContact OE1-NH2 3.33Å; E19-R23 PolarHBondContact OE1-NH2 3Å; K20-R23 PolarHBondContact O-N 3.42Å; K20-R23 VanDerWaalsContact O-N 3.14Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 3.32Å; R23-I26 PolarHBondContact O-N 3.35Å; R23-N27 WeakPolarHBondContact O-CB 3.39Å; R23-N27 VanDerWaalsContact O-CG 3.28Å; R23-N27 PolarHBondContact O-N 3Å; R23-N27 PolarHBondContact O-ND2 3.39Å |
| 24 | D | 98.2 | Very high | 96.1 | Very high | 60 Ų | 60 | 92.9 Ų | 92.9 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 177.8 | -62.9 | -21.2 | 0 | 0 | 0 | 111.1 | K20 R28 | K20-D24 PolarHBondContact O-N 3.46Å; D24-R28 WeakPolarHBondContact O-CG 3.46Å; D24-R28 PolarHBondContact O-N 2.95Å; D24-R28 VanDerWaalsContact O-N 3.08Å; D24-R28 PolarHBondContact O-NH1 3.31Å |
| 25 | R | 98.4 | Very high | 96.4 | Very high | 145 Ų | 145 | 94.8 Ų | 94.8 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 174.1 | -172.5 | 178.5 | 70.8 | -135.7 | 5.1 | 112 | R21 R22 R23 N27 R28 C29 | R21-R25 WeakPolarHBondContact O-CB 3.46Å; R21-R25 PolarHBondContact O-N 2.79Å; R21-R25 VanDerWaalsContact O-N 3.07Å; R22-R25 PolarHBondContact O-N 2.95Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 3.32Å; R25-N27 VanDerWaalsContact C-N 3.34Å; R25-N27 PolarHBondContact O-N 2.91Å; R25-R28 PolarHBondContact O-N 3.19Å; R25-C29 PolarHBondContact O-N 3.02Å; R25-C29 PolarHBondContact O-SG 3.44Å |
| 26 | I | 98.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 92.1 Ų | 92.1 | 35% | 0.349 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 178.3 | -68.6 | 165.4 | 0 | 0 | 0 | 110.9 | R22 R23 R28 C29 L30 | R22-I26 HydrophobicContact CG-CD1 4.12Å; R22-I26 WeakPolarHBondContact O-CG1 3.07Å; R22-I26 PolarHBondContact O-N 2.91Å; R23-I26 PolarHBondContact O-N 3.35Å; I26-R28 VanDerWaalsContact C-N 3.35Å; I26-R28 PolarHBondContact O-N 3.12Å; I26-C29 PolarHBondContact O-N 2.95Å; I26-L30 HydrophobicContact CG2-CD1 4.02Å; I26-L30 WeakPolarHBondContact O-CG 2.87Å; I26-L30 PolarHBondContact O-N 2.95Å |
| 27 | N | 97.8 | Very high | 96.3 | Very high | 62 Ų | 62 | 83.9 Ų | 83.9 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.8 | -69.4 | -24 | 0 | 0 | 0 | 112.1 | R23 R25 L30 N31 K51 | R23-N27 WeakPolarHBondContact O-CB 3.39Å; R23-N27 VanDerWaalsContact O-CG 3.28Å; R23-N27 PolarHBondContact O-N 3Å; R23-N27 PolarHBondContact O-ND2 3.39Å; R25-N27 VanDerWaalsContact C-N 3.34Å; R25-N27 PolarHBondContact O-N 2.91Å; N27-L30 PolarHBondContact O-N 3.19Å; N27-N31 PolarHBondContact O-N 2.93Å; N27-K51 PolarHBondContact OD1-NZ 2.67Å |
| 28 | R | 98 | Very high | 96 | Very high | 147 Ų | 147 | 82.8 Ų | 82.8 | 56% | 0.555 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.7 | -47.7 | 172.8 | -74.4 | -169.3 | -58.3 | -83.1 | 5.5 | 111.6 | D24 R25 I26 L30 N31 E32 | D24-R28 WeakPolarHBondContact O-CG 3.46Å; D24-R28 PolarHBondContact O-N 2.95Å; D24-R28 VanDerWaalsContact O-N 3.08Å; D24-R28 PolarHBondContact O-NH1 3.31Å; R25-R28 PolarHBondContact O-N 3.19Å; I26-R28 VanDerWaalsContact C-N 3.35Å; I26-R28 PolarHBondContact O-N 3.12Å; R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.14Å; R28-N31 PolarHBondContact O-N 3.35Å; R28-E32 WeakPolarHBondContact O-CG 3.41Å; R28-E32 PolarHBondContact O-N 3.38Å |
| 29 | C | 98.2 | Very high | 95.6 | Very high | 73 Ų | 73 | 78.5 Ų | 78.5 | 49% | 0.493 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 177.6 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | R25 I26 N31 E32 L33 | R25-C29 PolarHBondContact O-N 3.02Å; R25-C29 PolarHBondContact O-SG 3.44Å; I26-C29 PolarHBondContact O-N 2.95Å; C29-N31 PolarHBondContact O-N 2.9Å; C29-E32 PolarHBondContact O-N 3.04Å; C29-L33 WeakPolarHBondContact O-CG 3.38Å; C29-L33 PolarHBondContact O-N 3.01Å |
| 30 | L | 97.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 76.6 Ų | 76.6 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.2 | -72.7 | 167.6 | 0 | 0 | 0 | 112.7 | I26 N27 R28 L33 G34 K51 I54 L55 | I26-L30 HydrophobicContact CG2-CD1 4.02Å; I26-L30 WeakPolarHBondContact O-CG 2.87Å; I26-L30 PolarHBondContact O-N 2.95Å; N27-L30 PolarHBondContact O-N 3.19Å; R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.14Å; L30-L33 PolarHBondContact O-N 3Å; L30-G34 PolarHBondContact O-N 3.23Å; L30-K51 HydrophobicContact CD1-CB 4.29Å; L30-K51 HydrophobicContact CD1-CD 3.8Å; L30-K51 HydrophobicContact CD1-CG 3.96Å; L30-I54 HydrophobicContact CD2-CG2 4.14Å; L30-L55 HydrophobicContact CD2-CD1 4.4Å; L30-L55 HydrophobicContact CD2-CD2 3.79Å; L30-L55 HydrophobicContact CD2-CG 3.87Å |
| 31 | N | 96 | Very high | 95 | Very high | 103 Ų | 103 | 78.3 Ų | 78.3 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 174.7 | -87.2 | 30.4 | 0 | 0 | 0 | 112.5 | N27 R28 C29 G34 K35 | N27-N31 PolarHBondContact O-N 2.93Å; R28-N31 PolarHBondContact O-N 3.35Å; C29-N31 PolarHBondContact O-N 2.9Å; N31-G34 PolarHBondContact O-N 3.41Å; N31-K35 WeakPolarHBondContact O-CG 3.27Å; N31-K35 PolarHBondContact O-N 2.7Å |
| 32 | E | 97 | Very high | 94.4 | Very high | 95 Ų | 95 | 72 Ų | 72 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.1 | -37.4 | 177.5 | -62.6 | -44.6 | 115.4 | 0 | 0 | 111.9 | R28 C29 G34 K35 T36 | R28-E32 WeakPolarHBondContact O-CG 3.41Å; R28-E32 PolarHBondContact O-N 3.38Å; C29-E32 PolarHBondContact O-N 3.04Å; E32-G34 VanDerWaalsContact C-N 3.35Å; E32-G34 PolarHBondContact O-N 2.72Å; E32-K35 PolarHBondContact O-N 2.75Å; E32-K35 IonicContact OE1-NZ 3.41Å; E32-K35 PolarHBondContact OE1-NZ 3.25Å; E32-K35 IonicContact OE2-NZ 2.66Å; E32-K35 PolarHBondContact OE2-NZ 3.36Å; E32-T36 VanDerWaalsContact O-CB 3.28Å; E32-T36 WeakPolarHBondContact O-CB 3.23Å; E32-T36 PolarHBondContact O-N 2.85Å; E32-T36 PolarHBondContact O-OG1 3.42Å |
| 33 | L | 97.2 | Very high | 93.8 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 170.2 | -73.3 | 175.7 | 0 | 0 | 0 | 111.4 | C29 L30 K35 T36 V37 I54 L55 T58 | C29-L33 WeakPolarHBondContact O-CG 3.38Å; C29-L33 PolarHBondContact O-N 3.01Å; L30-L33 PolarHBondContact O-N 3Å; L33-K35 PolarHBondContact O-N 2.98Å; L33-T36 PolarHBondContact O-N 3.03Å; L33-T36 VanDerWaalsContact O-N 3.12Å; L33-V37 HydrophobicContact CD2-CG2 4.3Å; L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 WeakPolarHBondContact O-CG2 3.27Å; L33-V37 PolarHBondContact O-N 2.88Å; L33-I54 HydrophobicContact CB-CG2 3.87Å; L33-L55 HydrophobicContact CD1-CD2 4.47Å; L33-T58 HydrophobicContact CD1-CG2 4.3Å; L33-T58 HydrophobicContact CD2-CG2 3.82Å |
| 34 | G | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -32.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L30 N31 E32 A40 R41 Q44 | L30-G34 PolarHBondContact O-N 3.23Å; N31-G34 PolarHBondContact O-N 3.41Å; E32-G34 VanDerWaalsContact C-N 3.35Å; E32-G34 PolarHBondContact O-N 2.72Å; G34-A40 CarbonylContact O-C 3.46Å; G34-R41 WeakPolarHBondContact O-CA 3.29Å; G34-R41 PolarHBondContact O-N 2.64Å; G34-Q44 PolarHBondContact O-OE1 2.9Å |
| 35 | K | 93.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 70.5 Ų | 70.5 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -84.9 | -28.4 | 175.9 | -61.7 | 167.4 | -169.6 | 168.6 | 0 | 114 | N31 E32 L33 R41 | N31-K35 WeakPolarHBondContact O-CG 3.27Å; N31-K35 PolarHBondContact O-N 2.7Å; E32-K35 PolarHBondContact O-N 2.75Å; E32-K35 IonicContact OE1-NZ 3.41Å; E32-K35 PolarHBondContact OE1-NZ 3.25Å; E32-K35 IonicContact OE2-NZ 2.66Å; E32-K35 PolarHBondContact OE2-NZ 3.36Å; L33-K35 PolarHBondContact O-N 2.98Å; K35-R41 WeakPolarHBondContact O-CD 3.35Å |
| 36 | T | 91.4 | Very high | 91 | Very high | 98 Ų | 98 | 68 Ų | 68 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -93.7 | -40.3 | -169.2 | -54 | 0 | 0 | 0 | 0 | 112.1 | E32 L33 P38 | E32-T36 VanDerWaalsContact O-CB 3.28Å; E32-T36 WeakPolarHBondContact O-CB 3.23Å; E32-T36 PolarHBondContact O-N 2.85Å; E32-T36 PolarHBondContact O-OG1 3.42Å; L33-T36 PolarHBondContact O-N 3.03Å; L33-T36 VanDerWaalsContact O-N 3.12Å; T36-P38 WeakPolarHBondContact O-CD 3.25Å |
| 37 | V | 91.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -73.3 | 122.6 | -179.4 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | L33 M39 A40 R41 M57 T58 Y61 | L33-V37 HydrophobicContact CD2-CG2 4.3Å; L33-V37 WeakPolarHBondContact O-CB 3.35Å; L33-V37 WeakPolarHBondContact O-CG2 3.27Å; L33-V37 PolarHBondContact O-N 2.88Å; V37-M39 VanDerWaalsContact C-N 3.32Å; V37-M39 PolarHBondContact O-N 3.36Å; V37-A40 HydrophobicContact CB-CB 4.07Å; V37-A40 HydrophobicContact CG1-CB 4.32Å; V37-A40 PolarHBondContact O-N 3.5Å; V37-R41 WeakPolarHBondContact O-CB 3.42Å; V37-R41 PolarHBondContact O-N 2.94Å; V37-M57 HydrophobicContact CG1-CB 4.45Å; V37-T58 HydrophobicContact CG2-CG2 4.15Å; V37-Y61 HydrophobicContact CB-CD1 4.46Å; V37-Y61 HydrophobicContact CG1-CD1 4.11Å; V37-Y61 HydrophobicContact CG1-CG 4.28Å; V37-Y61 HydrophobicContact CG2-CD1 4.13Å |
| 38 | P | 86.6 | Confident | 90 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 23% | 0.234 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57 | -42.8 | -171.7 | -26.7 | 34.1 | 0 | 0 | 0 | 113.6 | T36 R41 A42 Y61 Y86 | T36-P38 WeakPolarHBondContact O-CD 3.25Å; P38-R41 PolarHBondContact O-N 3.41Å; P38-A42 WeakPolarHBondContact O-CB 3.47Å; P38-A42 PolarHBondContact O-N 2.95Å; P38-Y61 HydrophobicContact CG-CE2 4.32Å; P38-Y86 HydrophobicContact CB-CD2 4.47Å; P38-Y86 HydrophobicContact CB-CG 4.03Å |
| 39 | M | 86.6 | Confident | 89.7 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 179 | -38 | -171.9 | 66.9 | 0 | 0 | 112.1 | V37 A42 K43 M57 Q60 E82 F83 Y86 | V37-M39 VanDerWaalsContact C-N 3.32Å; V37-M39 PolarHBondContact O-N 3.36Å; M39-A42 PolarHBondContact O-N 2.93Å; M39-K43 WeakPolarHBondContact O-CB 3.5Å; M39-K43 PolarHBondContact O-N 3.3Å; M39-M57 HydrophobicContact CB-CB 4.08Å; M39-M57 HydrophobicContact CB-CG 3.99Å; M39-M57 HydrophobicContact CB-SD 3.75Å; M39-M57 HydrophobicContact SD-CB 4.46Å; M39-M57 HydrophobicContact SD-CG 4.48Å; M39-Q60 HydrophobicContact CE-CG 4.48Å; M39-Q60 HydrophobicContact SD-CB 4.14Å; M39-Q60 HydrophobicContact SD-CG 3.99Å; M39-E82 HydrophobicContact CE-CG 4.03Å; M39-F83 HydrophobicContact CG-CE1 4.09Å; M39-F83 HydrophobicContact CG-CZ 4.11Å; M39-F83 HydrophobicContact SD-CZ 3.92Å; M39-Y86 HydrophobicContact CB-CD2 4.41Å; M39-Y86 HydrophobicContact CB-CE1 4.29Å; M39-Y86 HydrophobicContact CB-CE2 3.79Å; M39-Y86 HydrophobicContact CE-CE2 3.7Å; M39-Y86 WeakPolarHBondContact CE-OH 3.49Å; M39-Y86 HydrophobicContact CG-CD2 3.85Å; M39-Y86 HydrophobicContact CG-CE2 3.38Å; M39-Y86 HydrophobicContact SD-CE2 4.23Å |
| 40 | A | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G34 V37 A42 K43 Q44 L49 M57 | G34-A40 CarbonylContact O-C 3.46Å; V37-A40 HydrophobicContact CB-CB 4.07Å; V37-A40 HydrophobicContact CG1-CB 4.32Å; V37-A40 PolarHBondContact O-N 3.5Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A42 PolarHBondContact O-N 3.36Å; A40-K43 PolarHBondContact O-N 3.48Å; A40-K43 VanDerWaalsContact O-N 3.12Å; A40-Q44 WeakPolarHBondContact O-CG 3.39Å; A40-Q44 PolarHBondContact O-N 3.27Å; A40-L49 HydrophobicContact CB-CD1 3.98Å; A40-L49 WeakPolarHBondContact O-CD1 3.38Å; A40-M57 HydrophobicContact CB-CB 4.5Å; A40-M57 HydrophobicContact CB-CE 3.73Å; A40-M57 HydrophobicContact CB-SD 4.25Å |
| 41 | R | 90 | Very high | 89.5 | Confident | 171 Ų | 171 | 75.3 Ų | 75.3 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.8 | -45 | 180 | -174.5 | -168.2 | 171.2 | 174.9 | -5.4 | 111.8 | G34 K35 V37 P38 Q44 | G34-R41 WeakPolarHBondContact O-CA 3.29Å; G34-R41 PolarHBondContact O-N 2.64Å; K35-R41 WeakPolarHBondContact O-CD 3.35Å; V37-R41 WeakPolarHBondContact O-CB 3.42Å; V37-R41 PolarHBondContact O-N 2.94Å; P38-R41 PolarHBondContact O-N 3.41Å; R41-Q44 PolarHBondContact O-N 3.01Å |
| 42 | A | 85.3 | Confident | 89.5 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 12% | 0.116 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P38 M39 A40 Q44 N45 Y86 Y89 | P38-A42 WeakPolarHBondContact O-CB 3.47Å; P38-A42 PolarHBondContact O-N 2.95Å; M39-A42 PolarHBondContact O-N 2.93Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A42 PolarHBondContact O-N 3.36Å; A42-Q44 VanDerWaalsContact C-N 3.26Å; A42-Q44 PolarHBondContact O-N 3.33Å; A42-N45 PolarHBondContact O-N 2.9Å; A42-N45 PolarHBondContact O-ND2 3.34Å; A42-N45 PolarHBondContact O-OD1 3.39Å; A42-Y86 HydrophobicContact CB-CD1 3.63Å; A42-Y86 HydrophobicContact CB-CE1 3.68Å; A42-Y89 HydrophobicContact CB-CD1 4.1Å; A42-Y89 HydrophobicContact CB-CE1 4.27Å |
| 43 | K | 86.1 | Confident | 89.4 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.1 | -20.8 | -176.6 | -156.2 | 173.5 | -175.7 | -172.8 | 0 | 114 | M39 A40 N45 S46 L49 E53 M57 | M39-K43 WeakPolarHBondContact O-CB 3.5Å; M39-K43 PolarHBondContact O-N 3.3Å; A40-K43 PolarHBondContact O-N 3.48Å; A40-K43 VanDerWaalsContact O-N 3.12Å; K43-N45 PolarHBondContact O-N 3.03Å; K43-N45 VanDerWaalsContact O-N 3.13Å; K43-S46 PolarHBondContact O-N 3.45Å; K43-S46 PolarHBondContact O-OG 2.78Å; K43-L49 HydrophobicContact CB-CD2 3.84Å; K43-L49 HydrophobicContact CD-CD2 4.01Å; K43-L49 HydrophobicContact CG-CD2 3.77Å; K43-E53 WeakPolarHBondContact CD-OE1 3.42Å; K43-E53 WeakPolarHBondContact CE-OE1 3.32Å; K43-E53 IonicContact NZ-OE1 3.83Å; K43-E53 PolarHBondContact NZ-OE1 2.43Å; K43-M57 HydrophobicContact CD-SD 4.5Å |
| 44 | Q | 83.3 | Confident | 89.3 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -58.5 | -22.8 | 172.8 | -59.9 | -143.4 | -85.6 | 0 | 0 | 113.6 | G34 A40 R41 A42 S46 G47 L49 | G34-Q44 PolarHBondContact O-OE1 2.9Å; A40-Q44 WeakPolarHBondContact O-CG 3.39Å; A40-Q44 PolarHBondContact O-N 3.27Å; R41-Q44 PolarHBondContact O-N 3.01Å; A42-Q44 VanDerWaalsContact C-N 3.26Å; A42-Q44 PolarHBondContact O-N 3.33Å; Q44-S46 PolarHBondContact O-N 2.82Å; Q44-G47 PolarHBondContact O-N 3.14Å; Q44-L49 HydrophobicContact CG-CD1 3.77Å; Q44-L49 HydrophobicContact CG-CG 4.26Å |
| 45 | N | 76.1 | Confident | 89.5 | Confident | 109 Ų | 109 | 73.4 Ų | 73.4 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -67 | -24.2 | 176.1 | 69.8 | 18 | 0 | 0 | 0 | 113.1 | A42 K43 Y89 | A42-N45 PolarHBondContact O-N 2.9Å; A42-N45 PolarHBondContact O-ND2 3.34Å; A42-N45 PolarHBondContact O-OD1 3.39Å; K43-N45 PolarHBondContact O-N 3.03Å; K43-N45 VanDerWaalsContact O-N 3.13Å; N45-Y89 PolarHBondContact ND2-OH 2.86Å |
| 46 | S | 75.9 | Confident | 89.5 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -90.6 | -12.7 | -179.8 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | K43 Q44 | K43-S46 PolarHBondContact O-N 3.45Å; K43-S46 PolarHBondContact O-OG 2.78Å; Q44-S46 PolarHBondContact O-N 2.82Å |
| 47 | G | 84.6 | Confident | 89.5 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 154.9 | -172.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q44 L49 | Q44-G47 PolarHBondContact O-N 3.14Å; G47-L49 PolarHBondContact O-N 2.91Å |
| 48 | K | 90.9 | Very high | 89.7 | Confident | 206 Ų | 206 | 71.7 Ų | 71.7 | 90% | 0.896 | 37% | 0.366 | S | S | * | . | trans | -80.6 | 105 | 178.2 | -178.4 | -174 | 176.1 | -173.5 | 0 | 110.3 | ||||
| 49 | L | 91.2 | Very high | 90 | Very high | 18 Ų | 18 | 73.2 Ų | 73.2 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | trans | -59.3 | 151 | 176.1 | -57.2 | 178.3 | 0 | 0 | 0 | 113.5 | A40 K43 Q44 G47 E53 I54 M57 | A40-L49 HydrophobicContact CB-CD1 3.98Å; A40-L49 WeakPolarHBondContact O-CD1 3.38Å; K43-L49 HydrophobicContact CB-CD2 3.84Å; K43-L49 HydrophobicContact CD-CD2 4.01Å; K43-L49 HydrophobicContact CG-CD2 3.77Å; Q44-L49 HydrophobicContact CG-CD1 3.77Å; Q44-L49 HydrophobicContact CG-CG 4.26Å; G47-L49 PolarHBondContact O-N 2.91Å; L49-E53 WeakPolarHBondContact CA-OE2 3.33Å; L49-E53 WeakPolarHBondContact CD2-OE2 3.5Å; L49-I54 HydrophobicContact CB-CD1 4.13Å; L49-I54 HydrophobicContact CB-CG1 3.84Å; L49-I54 HydrophobicContact CD1-CG1 3.94Å; L49-M57 HydrophobicContact CD1-CE 3.7Å; L49-M57 HydrophobicContact CD2-CE 4.35Å | ||
| 50 | E | 95.4 | Very high | 90 | Very high | 138 Ų | 138 | 75.7 Ų | 75.7 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | trans | -79 | 158.2 | 171.8 | -63.5 | -159 | 164.5 | 0 | 0 | 112.5 | A52 E53 I54 | E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.3Å; E50-E53 HydrophobicContact CB-CB 4.1Å; E50-E53 PolarHBondContact N-OE2 3.17Å; E50-E53 VanDerWaalsContact N-OE2 3.12Å; E50-E53 WeakPolarHBondContact O-CB 3.47Å; E50-E53 PolarHBondContact O-N 3.01Å; E50-I54 WeakPolarHBondContact O-CG1 3.36Å; E50-I54 PolarHBondContact O-N 3.24Å | ||
| 51 | K | 96.1 | Very high | 89.7 | Confident | 119 Ų | 119 | 78.3 Ų | 78.3 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 179.7 | -67.2 | -171.8 | 167.3 | -173.2 | 0 | 113.1 | N27 L30 L55 | N27-K51 PolarHBondContact OD1-NZ 2.67Å; L30-K51 HydrophobicContact CD1-CB 4.29Å; L30-K51 HydrophobicContact CD1-CD 3.8Å; L30-K51 HydrophobicContact CD1-CG 3.96Å; K51-L55 VanDerWaalsContact O-CG 3.32Å; K51-L55 WeakPolarHBondContact O-CG 3.45Å; K51-L55 PolarHBondContact O-N 3.06Å |
| 52 | A | 96.7 | Very high | 89.7 | Confident | 67 Ų | 67 | 74 Ų | 74 | 55% | 0.554 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.1 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | E50 I54 L55 E56 | E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.3Å; A52-I54 PolarHBondContact O-N 2.15Å; A52-L55 WeakPolarHBondContact O-CA 3.35Å; A52-L55 WeakPolarHBondContact O-CB 3.18Å; A52-L55 PolarHBondContact O-N 3.29Å; A52-E56 PolarHBondContact O-N 2.92Å |
| 53 | E | 94.8 | Very high | 89.5 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 178.4 | -153.6 | -168 | -178.9 | 0 | 0 | 112.9 | K43 L49 E50 L55 E56 M57 | K43-E53 WeakPolarHBondContact CD-OE1 3.42Å; K43-E53 WeakPolarHBondContact CE-OE1 3.32Å; K43-E53 IonicContact NZ-OE1 3.83Å; K43-E53 PolarHBondContact NZ-OE1 2.43Å; L49-E53 WeakPolarHBondContact CA-OE2 3.33Å; L49-E53 WeakPolarHBondContact CD2-OE2 3.5Å; E50-E53 HydrophobicContact CB-CB 4.1Å; E50-E53 PolarHBondContact N-OE2 3.17Å; E50-E53 VanDerWaalsContact N-OE2 3.12Å; E50-E53 WeakPolarHBondContact O-CB 3.47Å; E50-E53 PolarHBondContact O-N 3.01Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 3.49Å; E53-E56 PolarHBondContact O-N 3.27Å; E53-M57 HydrophobicContact CB-CE 4.46Å; E53-M57 HydrophobicContact CG-CE 3.93Å; E53-M57 WeakPolarHBondContact O-CE 3.44Å; E53-M57 PolarHBondContact O-N 2.91Å |
| 54 | I | 95.4 | Very high | 89 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 6% | 0.062 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 174.6 | -68.1 | 167.6 | 0 | 0 | 0 | 110.8 | L30 L33 L49 E50 A52 T58 | L30-I54 HydrophobicContact CD2-CG2 4.14Å; L33-I54 HydrophobicContact CB-CG2 3.87Å; L49-I54 HydrophobicContact CB-CD1 4.13Å; L49-I54 HydrophobicContact CB-CG1 3.84Å; L49-I54 HydrophobicContact CD1-CG1 3.94Å; E50-I54 WeakPolarHBondContact O-CG1 3.36Å; E50-I54 PolarHBondContact O-N 3.24Å; A52-I54 PolarHBondContact O-N 2.15Å; I54-T58 WeakPolarHBondContact O-CB 3.27Å; I54-T58 PolarHBondContact O-N 3.16Å; I54-T58 PolarHBondContact O-OG1 3.17Å |
| 55 | L | 97.4 | Very high | 88.7 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | -179.9 | -69 | 170.9 | 0 | 0 | 0 | 111.9 | L30 L33 K51 A52 E53 T58 V59 | L30-L55 HydrophobicContact CD2-CD1 4.4Å; L30-L55 HydrophobicContact CD2-CD2 3.79Å; L30-L55 HydrophobicContact CD2-CG 3.87Å; L33-L55 HydrophobicContact CD1-CD2 4.47Å; K51-L55 VanDerWaalsContact O-CG 3.32Å; K51-L55 WeakPolarHBondContact O-CG 3.45Å; K51-L55 PolarHBondContact O-N 3.06Å; A52-L55 WeakPolarHBondContact O-CA 3.35Å; A52-L55 WeakPolarHBondContact O-CB 3.18Å; A52-L55 PolarHBondContact O-N 3.29Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 3.49Å; L55-T58 WeakPolarHBondContact O-CB 3.35Å; L55-T58 PolarHBondContact O-N 3.05Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.3Å |
| 56 | E | 93.3 | Very high | 88.5 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 65% | 0.65 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.9 | -52.2 | 177.3 | -178.1 | 166.3 | -147 | 0 | 0 | 111.6 | A52 E53 T58 V59 Q60 | A52-E56 PolarHBondContact O-N 2.92Å; E53-E56 PolarHBondContact O-N 3.27Å; E56-T58 PolarHBondContact O-N 3.47Å; E56-V59 PolarHBondContact O-N 3.13Å; E56-Q60 PolarHBondContact O-N 3.19Å |
| 57 | M | 92.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -34.8 | 174 | -74.3 | -174.5 | -70.2 | 0 | 0 | 112.5 | V37 M39 A40 K43 L49 E53 Y61 | V37-M57 HydrophobicContact CG1-CB 4.45Å; M39-M57 HydrophobicContact CB-CB 4.08Å; M39-M57 HydrophobicContact CB-CG 3.99Å; M39-M57 HydrophobicContact CB-SD 3.75Å; M39-M57 HydrophobicContact SD-CB 4.46Å; M39-M57 HydrophobicContact SD-CG 4.48Å; A40-M57 HydrophobicContact CB-CB 4.5Å; A40-M57 HydrophobicContact CB-CE 3.73Å; A40-M57 HydrophobicContact CB-SD 4.25Å; K43-M57 HydrophobicContact CD-SD 4.5Å; L49-M57 HydrophobicContact CD1-CE 3.7Å; L49-M57 HydrophobicContact CD2-CE 4.35Å; E53-M57 HydrophobicContact CB-CE 4.46Å; E53-M57 HydrophobicContact CG-CE 3.93Å; E53-M57 WeakPolarHBondContact O-CE 3.44Å; E53-M57 PolarHBondContact O-N 2.91Å; M57-Y61 WeakPolarHBondContact O-CB 3.35Å; M57-Y61 PolarHBondContact O-N 3.22Å |
| 58 | T | 94.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 9% | 0.092 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 173.8 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | L33 V37 I54 L55 E56 Y61 L62 | L33-T58 HydrophobicContact CD1-CG2 4.3Å; L33-T58 HydrophobicContact CD2-CG2 3.82Å; V37-T58 HydrophobicContact CG2-CG2 4.15Å; I54-T58 WeakPolarHBondContact O-CB 3.27Å; I54-T58 PolarHBondContact O-N 3.16Å; I54-T58 PolarHBondContact O-OG1 3.17Å; L55-T58 WeakPolarHBondContact O-CB 3.35Å; L55-T58 PolarHBondContact O-N 3.05Å; E56-T58 PolarHBondContact O-N 3.47Å; T58-Y61 PolarHBondContact O-N 3.36Å; T58-L62 HydrophobicContact CG2-CD1 4.18Å; T58-L62 WeakPolarHBondContact O-CG 3.4Å; T58-L62 PolarHBondContact O-N 2.84Å |
| 59 | V | 92.4 | Very high | 84.6 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.418 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 178.4 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L55 E56 Y61 L62 R63 | L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.3Å; E56-V59 PolarHBondContact O-N 3.13Å; V59-Y61 VanDerWaalsContact C-N 3.34Å; V59-Y61 PolarHBondContact O-N 3.48Å; V59-L62 PolarHBondContact O-N 3.38Å; V59-R63 HydrophobicContact CG1-CG 4.45Å; V59-R63 WeakPolarHBondContact O-CB 3.48Å; V59-R63 VanDerWaalsContact O-CG 3.3Å; V59-R63 WeakPolarHBondContact O-CG 3.41Å; V59-R63 PolarHBondContact O-N 2.66Å |
| 60 | Q | 85.9 | Confident | 82.4 | Confident | 57 Ų | 57 | 80 Ų | 80 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 174.7 | -171.2 | 174.8 | 0.2 | 0 | 0 | 111.3 | M39 E56 R63 A64 L79 E82 | M39-Q60 HydrophobicContact CE-CG 4.48Å; M39-Q60 HydrophobicContact SD-CB 4.14Å; M39-Q60 HydrophobicContact SD-CG 3.99Å; E56-Q60 PolarHBondContact O-N 3.19Å; Q60-R63 PolarHBondContact O-N 3.12Å; Q60-A64 PolarHBondContact O-N 3.03Å; Q60-L79 HydrophobicContact CG-CD2 3.61Å; Q60-E82 PolarHBondContact NE2-OE2 3.04Å |
| 61 | Y | 85.9 | Confident | 80.3 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 22% | 0.22 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 175 | 179.7 | -137.7 | 0 | 0 | 0 | 113.2 | V37 P38 M57 T58 V59 R63 A64 L65 F83 | V37-Y61 HydrophobicContact CB-CD1 4.46Å; V37-Y61 HydrophobicContact CG1-CD1 4.11Å; V37-Y61 HydrophobicContact CG1-CG 4.28Å; V37-Y61 HydrophobicContact CG2-CD1 4.13Å; P38-Y61 HydrophobicContact CG-CE2 4.32Å; M57-Y61 WeakPolarHBondContact O-CB 3.35Å; M57-Y61 PolarHBondContact O-N 3.22Å; T58-Y61 PolarHBondContact O-N 3.36Å; V59-Y61 VanDerWaalsContact C-N 3.34Å; V59-Y61 PolarHBondContact O-N 3.48Å; Y61-R63 VanDerWaalsContact C-N 3.31Å; Y61-R63 PolarHBondContact O-N 2.95Å; Y61-A64 PolarHBondContact O-N 2.99Å; Y61-L65 HydrophobicContact CD1-CD1 4.33Å; Y61-L65 HydrophobicContact CD2-CD1 4.2Å; Y61-L65 HydrophobicContact CD2-CG 4.04Å; Y61-L65 HydrophobicContact CE1-CD1 3.96Å; Y61-L65 HydrophobicContact CE2-CD1 3.85Å; Y61-L65 HydrophobicContact CE2-CD2 3.85Å; Y61-L65 HydrophobicContact CE2-CG 3.77Å; Y61-L65 HydrophobicContact CG-CD1 4.46Å; Y61-L65 WeakPolarHBondContact O-CG 3.34Å; Y61-L65 PolarHBondContact O-N 3.21Å; Y61-F83 AromaticContact CD2-CD1 3.96Å; Y61-F83 HydrophobicContact CD2-CD1 3.96Å; Y61-F83 AromaticContact CD2-CE1 3.25Å; Y61-F83 HydrophobicContact CD2-CE1 3.25Å; Y61-F83 HydrophobicContact CD2-CE2 4.5Å; Y61-F83 AromaticContact CD2-CZ 3.62Å; Y61-F83 HydrophobicContact CD2-CZ 3.62Å; Y61-F83 HydrophobicContact CE2-CD1 4.23Å; Y61-F83 AromaticContact CE2-CE1 3.92Å; Y61-F83 HydrophobicContact CE2-CE1 3.92Å; Y61-F83 HydrophobicContact CG-CE1 4.04Å; Y61-F83 HydrophobicContact CG-CZ 4.2Å |
| 62 | L | 89.1 | Confident | 78 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 41% | 0.414 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 177.6 | -68.3 | 173.5 | 0 | 0 | 0 | 112.3 | T58 V59 L65 H66 | T58-L62 HydrophobicContact CG2-CD1 4.18Å; T58-L62 WeakPolarHBondContact O-CG 3.4Å; T58-L62 PolarHBondContact O-N 2.84Å; V59-L62 PolarHBondContact O-N 3.38Å; L62-L65 HydrophobicContact CD2-CD1 4.47Å; L62-L65 PolarHBondContact O-N 3.22Å; L62-H66 WeakPolarHBondContact O-CB 3.46Å; L62-H66 VanDerWaalsContact O-CG 3.32Å; L62-H66 PolarHBondContact O-N 3.28Å |
| 63 | R | 81.7 | Confident | 75.6 | Confident | 178 Ų | 178 | 82.8 Ų | 82.8 | 67% | 0.672 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 173.6 | -75.7 | 175.3 | 179.8 | -172.4 | 1.9 | 111.8 | V59 Q60 Y61 H66 S67 | V59-R63 HydrophobicContact CG1-CG 4.45Å; V59-R63 WeakPolarHBondContact O-CB 3.48Å; V59-R63 VanDerWaalsContact O-CG 3.3Å; V59-R63 WeakPolarHBondContact O-CG 3.41Å; V59-R63 PolarHBondContact O-N 2.66Å; Q60-R63 PolarHBondContact O-N 3.12Å; Y61-R63 VanDerWaalsContact C-N 3.31Å; Y61-R63 PolarHBondContact O-N 2.95Å; R63-H66 PolarHBondContact O-N 3.16Å; R63-S67 WeakPolarHBondContact O-CB 3.43Å; R63-S67 PolarHBondContact O-N 3.01Å |
| 64 | A | 74.9 | Confident | 73.6 | Confident | 16 Ų | 16 | 92 Ų | 92 | 13% | 0.132 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q60 Y61 H66 S67 F83 | Q60-A64 PolarHBondContact O-N 3.03Å; Y61-A64 PolarHBondContact O-N 2.99Å; A64-H66 PolarHBondContact O-N 2.86Å; A64-S67 PolarHBondContact O-N 3.35Å; A64-S67 PolarHBondContact O-OG 3.29Å; A64-F83 HydrophobicContact CB-CD2 3.48Å; A64-F83 VanDerWaalsContact CB-CD2 3.48Å; A64-F83 HydrophobicContact CB-CE2 3.21Å; A64-F83 HydrophobicContact CB-CZ 4.15Å |
| 65 | L | 78.2 | Confident | 71.6 | Confident | 57 Ų | 57 | 97.8 Ų | 97.8 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 174.2 | -70.1 | 175.9 | 0 | 0 | 0 | 111.8 | Y61 L62 S67 A68 F134 | Y61-L65 HydrophobicContact CD1-CD1 4.33Å; Y61-L65 HydrophobicContact CD2-CD1 4.2Å; Y61-L65 HydrophobicContact CD2-CG 4.04Å; Y61-L65 HydrophobicContact CE1-CD1 3.96Å; Y61-L65 HydrophobicContact CE2-CD1 3.85Å; Y61-L65 HydrophobicContact CE2-CD2 3.85Å; Y61-L65 HydrophobicContact CE2-CG 3.77Å; Y61-L65 HydrophobicContact CG-CD1 4.46Å; Y61-L65 WeakPolarHBondContact O-CG 3.34Å; Y61-L65 PolarHBondContact O-N 3.21Å; L62-L65 HydrophobicContact CD2-CD1 4.47Å; L62-L65 PolarHBondContact O-N 3.22Å; L65-S67 VanDerWaalsContact C-N 3.27Å; L65-S67 PolarHBondContact O-N 3.22Å; L65-A68 WeakPolarHBondContact O-CB 3.36Å; L65-A68 PolarHBondContact O-N 2.9Å; L65-F134 HydrophobicContact CD2-CE1 4.14Å; L65-F134 HydrophobicContact CD2-CZ 4.41Å |
| 66 | H | 71.9 | Confident | 69.4 | Low | 125 Ų | 125 | 98.9 Ų | 98.9 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.7 | -13.9 | -179.1 | -62.2 | -179.8 | 0 | 0 | 0 | 113.5 | L62 R63 A64 A68 D69 | L62-H66 WeakPolarHBondContact O-CB 3.46Å; L62-H66 VanDerWaalsContact O-CG 3.32Å; L62-H66 PolarHBondContact O-N 3.28Å; R63-H66 PolarHBondContact O-N 3.16Å; A64-H66 PolarHBondContact O-N 2.86Å; H66-A68 PolarHBondContact O-N 3.25Å; H66-D69 PolarHBondContact O-N 2.91Å; H66-D69 VanDerWaalsContact O-N 3.12Å |
| 67 | S | 61.8 | Low | 67.7 | Low | 36 Ų | 36 | 94.7 Ų | 94.7 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.4 | 173.3 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | R63 A64 L65 D69 | R63-S67 WeakPolarHBondContact O-CB 3.43Å; R63-S67 PolarHBondContact O-N 3.01Å; A64-S67 PolarHBondContact O-N 3.35Å; A64-S67 PolarHBondContact O-OG 3.29Å; L65-S67 VanDerWaalsContact C-N 3.27Å; L65-S67 PolarHBondContact O-N 3.22Å; S67-D69 VanDerWaalsContact C-N 3.28Å |
| 68 | A | 55 | Low | 66.2 | Low | 71 Ų | 71 | 101.1 Ų | 101.1 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L65 H66 | L65-A68 WeakPolarHBondContact O-CB 3.36Å; L65-A68 PolarHBondContact O-N 2.9Å; H66-A68 PolarHBondContact O-N 3.25Å |
| 69 | D | 52.3 | Low | 64.6 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 75% | 0.749 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -94.5 | -5.3 | -177.6 | -62.1 | -47.6 | 0 | 0 | 0 | 113.9 | H66 S67 | H66-D69 PolarHBondContact O-N 2.91Å; H66-D69 VanDerWaalsContact O-N 3.12Å; S67-D69 VanDerWaalsContact C-N 3.28Å |
| 70 | F | 45 | Very low | 63.4 | Low | 158 Ų | 158 | 102.5 Ų | 102.5 | 69% | 0.693 | 51% | 0.511 | S | S | * | . | trans | -119.8 | 113.5 | -171.6 | -120.1 | -90.4 | 0 | 0 | 0 | 113.9 | R72 | F70-R72 PolarHBondContact O-N 3.35Å; F70-R72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | P | 49.8 | Very low | 62.5 | Low | 107 Ų | 107 | 101.3 Ų | 101.3 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | trans | -85 | 83.4 | -178 | 33.2 | -34.6 | 0 | 0 | 0 | 112.4 | ||||
| 72 | R | 47.8 | Very low | 61.6 | Low | 230 Ų | 230 | 101.9 Ų | 101.9 | 87% | 0.868 | 52% | 0.519 | S | S | * | . | trans | -164.4 | 137 | 160.9 | -140.1 | 145.8 | -71.6 | -134.5 | 1.4 | 115.2 | F70 | F70-R72 PolarHBondContact O-N 3.35Å; F70-R72 VanDerWaalsContact O-N 3.09Å | ||
| 73 | G | 47.9 | Very low | 60.6 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | trans | 111.1 | 138.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E75 K76 | G73-E75 PolarHBondContact O-N 3.47Å; G73-K76 WeakPolarHBondContact O-CB 3.5Å; G73-K76 PolarHBondContact O-N 3.17Å | ||
| 74 | R | 51.2 | Low | 60.3 | Low | 236 Ų | 236 | 92 Ų | 92 | 89% | 0.891 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.2 | 170.5 | -71.6 | -176.3 | 177.8 | -177.2 | -0.7 | 111.9 | K76 G77 | R74-K76 PolarHBondContact O-N 2.94Å; R74-G77 PolarHBondContact O-N 2.92Å |
| 75 | E | 53.3 | Low | 60.5 | Low | 134 Ų | 134 | 96.2 Ų | 96.2 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -40.4 | -31.8 | 168.3 | -35.5 | -71.9 | 107.8 | 0 | 0 | 114.2 | G73 G77 E78 L79 | G73-E75 PolarHBondContact O-N 3.47Å; E75-G77 VanDerWaalsContact C-N 3.28Å; E75-G77 PolarHBondContact O-N 3.09Å; E75-E78 PolarHBondContact O-N 3.09Å; E75-L79 PolarHBondContact O-N 3.29Å; E75-L79 VanDerWaalsContact O-N 3.09Å |
| 76 | K | 52.7 | Low | 60.5 | Low | 111 Ų | 111 | 96 Ų | 96 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | -179.1 | -177.4 | 173.7 | 179.5 | 171 | 0 | 112.5 | G73 R74 L80 | G73-K76 WeakPolarHBondContact O-CB 3.5Å; G73-K76 PolarHBondContact O-N 3.17Å; R74-K76 PolarHBondContact O-N 2.94Å; K76-L80 WeakPolarHBondContact O-CB 3.41Å; K76-L80 PolarHBondContact O-N 3.37Å; K76-L80 VanDerWaalsContact O-N 3.09Å |
| 77 | G | 56.8 | Low | 60.9 | Low | 52 Ų | 52 | 94.4 Ų | 94.4 | 54% | 0.536 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.7 | -40.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R74 E75 G81 | R74-G77 PolarHBondContact O-N 2.92Å; E75-G77 VanDerWaalsContact C-N 3.28Å; E75-G77 PolarHBondContact O-N 3.09Å; G77-G81 PolarHBondContact O-N 3.38Å |
| 78 | E | 61.9 | Low | 62 | Low | 150 Ų | 150 | 94.5 Ų | 94.5 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.9 | -47.6 | -178.7 | -67.1 | 175.1 | -168.3 | 0 | 0 | 111.1 | E75 L80 G81 E82 | E75-E78 PolarHBondContact O-N 3.09Å; E78-L80 PolarHBondContact O-N 3.33Å; E78-G81 PolarHBondContact O-N 3.06Å; E78-E82 WeakPolarHBondContact O-CB 3.46Å; E78-E82 PolarHBondContact O-N 3.39Å |
| 79 | L | 61.5 | Low | 63.4 | Low | 42 Ų | 42 | 95.7 Ų | 95.7 | 22% | 0.22 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.5 | -79.2 | 167.1 | 0 | 0 | 0 | 112.1 | Q60 E75 E82 F83 | Q60-L79 HydrophobicContact CG-CD2 3.61Å; E75-L79 PolarHBondContact O-N 3.29Å; E75-L79 VanDerWaalsContact O-N 3.09Å; L79-E82 PolarHBondContact O-N 3.46Å; L79-F83 WeakPolarHBondContact O-CD2 3.46Å; L79-F83 PolarHBondContact O-N 3.43Å |
| 80 | L | 65.9 | Low | 65 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 179.1 | -174 | 64.3 | 0 | 0 | 0 | 111.9 | K76 E78 E82 F83 A84 P132 | K76-L80 WeakPolarHBondContact O-CB 3.41Å; K76-L80 PolarHBondContact O-N 3.37Å; K76-L80 VanDerWaalsContact O-N 3.09Å; E78-L80 PolarHBondContact O-N 3.33Å; L80-E82 VanDerWaalsContact C-N 3.33Å; L80-F83 PolarHBondContact O-N 3.19Å; L80-A84 PolarHBondContact O-N 3.04Å; L80-P132 HydrophobicContact CD1-CB 4.21Å; L80-P132 HydrophobicContact CD1-CG 4.46Å; L80-P132 HydrophobicContact CD2-CG 4.19Å |
| 81 | G | 66.9 | Low | 67.3 | Low | 32 Ų | 32 | 85.4 Ų | 85.4 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G77 E78 A84 N85 | G77-G81 PolarHBondContact O-N 3.38Å; E78-G81 PolarHBondContact O-N 3.06Å; G81-A84 WeakPolarHBondContact O-CB 3.37Å; G81-A84 PolarHBondContact O-N 3.12Å; G81-N85 PolarHBondContact O-N 3.28Å; G81-N85 PolarHBondContact O-ND2 3.25Å |
| 82 | E | 67.1 | Low | 69.2 | Low | 68 Ų | 68 | 84.7 Ų | 84.7 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 174.3 | -177.9 | 152.5 | -137 | 0 | 0 | 112.2 | M39 Q60 E78 L79 L80 N85 Y86 | M39-E82 HydrophobicContact CE-CG 4.03Å; Q60-E82 PolarHBondContact NE2-OE2 3.04Å; E78-E82 WeakPolarHBondContact O-CB 3.46Å; E78-E82 PolarHBondContact O-N 3.39Å; L79-E82 PolarHBondContact O-N 3.46Å; L80-E82 VanDerWaalsContact C-N 3.33Å; E82-N85 WeakPolarHBondContact O-CB 3.48Å; E82-N85 PolarHBondContact O-N 2.88Å; E82-Y86 HydrophobicContact CG-CD2 4.31Å; E82-Y86 HydrophobicContact CG-CE2 3.55Å; E82-Y86 WeakPolarHBondContact O-CD2 3.01Å; E82-Y86 WeakPolarHBondContact O-CE2 3.44Å; E82-Y86 PolarHBondContact O-N 2.86Å |
| 83 | F | 69.8 | Low | 71.3 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 170.5 | -80.7 | -66.9 | 0 | 0 | 0 | 113.9 | M39 Y61 A64 L79 L80 N85 Y86 F87 | M39-F83 HydrophobicContact CG-CE1 4.09Å; M39-F83 HydrophobicContact CG-CZ 4.11Å; M39-F83 HydrophobicContact SD-CZ 3.92Å; Y61-F83 AromaticContact CD2-CD1 3.96Å; Y61-F83 HydrophobicContact CD2-CD1 3.96Å; Y61-F83 AromaticContact CD2-CE1 3.25Å; Y61-F83 HydrophobicContact CD2-CE1 3.25Å; Y61-F83 HydrophobicContact CD2-CE2 4.5Å; Y61-F83 AromaticContact CD2-CZ 3.62Å; Y61-F83 HydrophobicContact CD2-CZ 3.62Å; Y61-F83 HydrophobicContact CE2-CD1 4.23Å; Y61-F83 AromaticContact CE2-CE1 3.92Å; Y61-F83 HydrophobicContact CE2-CE1 3.92Å; Y61-F83 HydrophobicContact CG-CE1 4.04Å; Y61-F83 HydrophobicContact CG-CZ 4.2Å; A64-F83 HydrophobicContact CB-CD2 3.48Å; A64-F83 VanDerWaalsContact CB-CD2 3.48Å; A64-F83 HydrophobicContact CB-CE2 3.21Å; A64-F83 HydrophobicContact CB-CZ 4.15Å; L79-F83 WeakPolarHBondContact O-CD2 3.46Å; L79-F83 PolarHBondContact O-N 3.43Å; L80-F83 PolarHBondContact O-N 3.19Å; F83-N85 VanDerWaalsContact C-N 3.31Å; F83-N85 PolarHBondContact O-N 3.46Å; F83-Y86 PolarHBondContact O-N 3.05Å; F83-F87 PolarHBondContact O-N 3.32Å |
| 84 | A | 74.5 | Confident | 73.6 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | L80 G81 Y86 F87 H88 | L80-A84 PolarHBondContact O-N 3.04Å; G81-A84 WeakPolarHBondContact O-CB 3.37Å; G81-A84 PolarHBondContact O-N 3.12Å; A84-Y86 VanDerWaalsContact C-N 3.33Å; A84-Y86 PolarHBondContact O-N 2.99Å; A84-F87 WeakPolarHBondContact O-CB 3.1Å; A84-F87 PolarHBondContact O-N 3.37Å; A84-F87 VanDerWaalsContact O-N 3.16Å; A84-H88 WeakPolarHBondContact O-CB 3.48Å; A84-H88 PolarHBondContact O-CD2 2.89Å; A84-H88 VanDerWaalsContact O-CG 3.29Å; A84-H88 PolarHBondContact O-N 3.03Å |
| 85 | N | 79.2 | Confident | 75.7 | Confident | 105 Ų | 105 | 68.6 Ų | 68.6 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.7 | -41.9 | 175.9 | -67.2 | -27.9 | 0 | 0 | 0 | 112.4 | G81 E82 F83 H88 Y89 | G81-N85 PolarHBondContact O-N 3.28Å; G81-N85 PolarHBondContact O-ND2 3.25Å; E82-N85 WeakPolarHBondContact O-CB 3.48Å; E82-N85 PolarHBondContact O-N 2.88Å; F83-N85 VanDerWaalsContact C-N 3.31Å; F83-N85 PolarHBondContact O-N 3.46Å; N85-H88 PolarHBondContact O-N 3.05Å; N85-Y89 WeakPolarHBondContact O-CB 3.12Å; N85-Y89 PolarHBondContact O-N 3.37Å |
| 86 | Y | 77.1 | Confident | 77.6 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.6 | -34.3 | 176 | -63.9 | -62.1 | 0 | 0 | 0 | 113.8 | P38 M39 A42 E82 F83 A84 G90 | P38-Y86 HydrophobicContact CB-CD2 4.47Å; P38-Y86 HydrophobicContact CB-CG 4.03Å; M39-Y86 HydrophobicContact CB-CD2 4.41Å; M39-Y86 HydrophobicContact CB-CE1 4.29Å; M39-Y86 HydrophobicContact CB-CE2 3.79Å; M39-Y86 HydrophobicContact CE-CE2 3.7Å; M39-Y86 WeakPolarHBondContact CE-OH 3.49Å; M39-Y86 HydrophobicContact CG-CD2 3.85Å; M39-Y86 HydrophobicContact CG-CE2 3.38Å; M39-Y86 HydrophobicContact SD-CE2 4.23Å; A42-Y86 HydrophobicContact CB-CD1 3.63Å; A42-Y86 HydrophobicContact CB-CE1 3.68Å; E82-Y86 HydrophobicContact CG-CD2 4.31Å; E82-Y86 HydrophobicContact CG-CE2 3.55Å; E82-Y86 WeakPolarHBondContact O-CD2 3.01Å; E82-Y86 WeakPolarHBondContact O-CE2 3.44Å; E82-Y86 PolarHBondContact O-N 2.86Å; F83-Y86 PolarHBondContact O-N 3.05Å; A84-Y86 VanDerWaalsContact C-N 3.33Å; A84-Y86 PolarHBondContact O-N 2.99Å; Y86-G90 PolarHBondContact O-N 2.68Å |
| 87 | F | 82.2 | Confident | 79.6 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 170.1 | 175.8 | -88.3 | 0 | 0 | 0 | 110.5 | F83 A84 Y89 G90 Y91 V129 | F83-F87 PolarHBondContact O-N 3.32Å; A84-F87 WeakPolarHBondContact O-CB 3.1Å; A84-F87 PolarHBondContact O-N 3.37Å; A84-F87 VanDerWaalsContact O-N 3.16Å; F87-Y89 VanDerWaalsContact C-N 3.32Å; F87-Y89 PolarHBondContact O-N 3.01Å; F87-G90 PolarHBondContact O-N 2.72Å; F87-Y91 HydrophobicContact CE1-CD2 4.14Å; F87-Y91 HydrophobicContact CE1-CG 4.46Å; F87-Y91 HydrophobicContact CZ-CD2 4.04Å; F87-Y91 WeakPolarHBondContact O-CB 3.41Å; F87-Y91 PolarHBondContact O-N 2.98Å; F87-V129 HydrophobicContact CD1-CB 4Å; F87-V129 HydrophobicContact CD1-CG1 3.9Å; F87-V129 HydrophobicContact CE1-CB 3.52Å; F87-V129 HydrophobicContact CE1-CG1 3.57Å; F87-V129 HydrophobicContact CE1-CG2 3.62Å; F87-V129 HydrophobicContact CE2-CG1 4.26Å; F87-V129 HydrophobicContact CG-CG1 4.41Å; F87-V129 HydrophobicContact CZ-CB 4.1Å; F87-V129 HydrophobicContact CZ-CG1 3.77Å; F87-V129 HydrophobicContact CZ-CG2 3.91Å |
| 88 | H | 84.8 | Confident | 81.5 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 178.2 | -69.5 | -47.5 | 0 | 0 | 0 | 111.6 | A84 N85 Y91 H92 S126 N130 | A84-H88 WeakPolarHBondContact O-CB 3.48Å; A84-H88 PolarHBondContact O-CD2 2.89Å; A84-H88 VanDerWaalsContact O-CG 3.29Å; A84-H88 PolarHBondContact O-N 3.03Å; N85-H88 PolarHBondContact O-N 3.05Å; H88-Y91 PolarHBondContact O-N 3.31Å; H88-H92 WeakPolarHBondContact O-CB 3.39Å; H88-H92 PolarHBondContact O-N 3.29Å; H88-H92 PolarHBondContact O-ND1 3.5Å; H88-S126 PolarHBondContact CE1-O 2.71Å; H88-S126 PolarHBondContact ND1-O 3.14Å; H88-N130 VanDerWaalsContact NE2-CG 3.31Å; H88-N130 PolarHBondContact NE2-OD1 3.5Å |
| 89 | Y | 84.4 | Confident | 83.1 | Confident | 97 Ų | 97 | 62 Ų | 62 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.7 | -179.2 | -99 | 0 | 0 | 0 | 112 | A42 N45 N85 F87 Y91 H92 E93 | A42-Y89 HydrophobicContact CB-CD1 4.1Å; A42-Y89 HydrophobicContact CB-CE1 4.27Å; N45-Y89 PolarHBondContact ND2-OH 2.86Å; N85-Y89 WeakPolarHBondContact O-CB 3.12Å; N85-Y89 PolarHBondContact O-N 3.37Å; F87-Y89 VanDerWaalsContact C-N 3.32Å; F87-Y89 PolarHBondContact O-N 3.01Å; Y89-Y91 VanDerWaalsContact C-N 3.31Å; Y89-Y91 PolarHBondContact O-N 3.39Å; Y89-H92 PolarHBondContact O-N 2.83Å; Y89-E93 HydrophobicContact CE1-CG 4.06Å; Y89-E93 PolarHBondContact O-N 3.41Å |
| 90 | G | 86.2 | Confident | 84.7 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y86 F87 C94 | Y86-G90 PolarHBondContact O-N 2.68Å; F87-G90 PolarHBondContact O-N 2.72Å; G90-C94 WeakPolarHBondContact O-CB 3.5Å; G90-C94 PolarHBondContact O-N 3.04Å |
| 91 | Y | 91.9 | Very high | 86.2 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 175.2 | -168 | -85.7 | 0 | 0 | 0 | 111.9 | F87 H88 Y89 C94 M95 L122 | F87-Y91 HydrophobicContact CE1-CD2 4.14Å; F87-Y91 HydrophobicContact CE1-CG 4.46Å; F87-Y91 HydrophobicContact CZ-CD2 4.04Å; F87-Y91 WeakPolarHBondContact O-CB 3.41Å; F87-Y91 PolarHBondContact O-N 2.98Å; H88-Y91 PolarHBondContact O-N 3.31Å; Y89-Y91 VanDerWaalsContact C-N 3.31Å; Y89-Y91 PolarHBondContact O-N 3.39Å; Y91-C94 WeakPolarHBondContact O-CB 3.38Å; Y91-C94 PolarHBondContact O-N 2.96Å; Y91-M95 WeakPolarHBondContact O-CB 3.46Å; Y91-M95 PolarHBondContact O-N 3.42Å; Y91-L122 HydrophobicContact CE1-CB 4.4Å; Y91-L122 WeakPolarHBondContact CE1-O 3.46Å; Y91-L122 WeakPolarHBondContact OH-CA 3.17Å; Y91-L122 VanDerWaalsContact OH-CD2 3.27Å; Y91-L122 WeakPolarHBondContact OH-CD2 3.43Å; Y91-L122 PolarHBondContact OH-O 3.07Å |
| 92 | H | 91.2 | Very high | 87.5 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.2 | -78.9 | 86.7 | 0 | 0 | 0 | 112.3 | H88 Y89 C94 M95 K96 | H88-H92 WeakPolarHBondContact O-CB 3.39Å; H88-H92 PolarHBondContact O-N 3.29Å; H88-H92 PolarHBondContact O-ND1 3.5Å; Y89-H92 PolarHBondContact O-N 2.83Å; H92-C94 VanDerWaalsContact C-N 3.33Å; H92-C94 PolarHBondContact O-N 3.48Å; H92-M95 PolarHBondContact O-N 3.19Å; H92-K96 WeakPolarHBondContact O-CB 3.43Å; H92-K96 PolarHBondContact O-N 3.24Å |
| 93 | E | 91.6 | Very high | 88.8 | Confident | 62 Ų | 62 | 66 Ų | 66 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 171.5 | -86.1 | -61.2 | 125.4 | 0 | 0 | 111.5 | Y89 K96 N97 | Y89-E93 HydrophobicContact CE1-CG 4.06Å; Y89-E93 PolarHBondContact O-N 3.41Å; E93-K96 PolarHBondContact O-N 3.23Å; E93-K96 WeakPolarHBondContact OE1-CE 3.33Å; E93-K96 IonicContact OE1-NZ 2.64Å; E93-K96 PolarHBondContact OE1-NZ 3.49Å; E93-K96 WeakPolarHBondContact OE2-CE 3.44Å; E93-K96 IonicContact OE2-NZ 2.72Å; E93-K96 PolarHBondContact OE2-NZ 2.91Å; E93-N97 PolarHBondContact O-N 3.12Å; E93-N97 PolarHBondContact O-ND2 2.71Å |
| 94 | C | 94.4 | Very high | 90 | Very high | 87 Ų | 87 | 67.2 Ų | 67.2 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.4 | -49.1 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | G90 Y91 H92 K96 N97 L98 | G90-C94 WeakPolarHBondContact O-CB 3.5Å; G90-C94 PolarHBondContact O-N 3.04Å; Y91-C94 WeakPolarHBondContact O-CB 3.38Å; Y91-C94 PolarHBondContact O-N 2.96Å; H92-C94 VanDerWaalsContact C-N 3.33Å; H92-C94 PolarHBondContact O-N 3.48Å; C94-K96 VanDerWaalsContact C-N 3.35Å; C94-K96 PolarHBondContact O-N 3.39Å; C94-N97 PolarHBondContact O-N 2.91Å; C94-L98 PolarHBondContact O-N 2.97Å |
| 95 | M | 95.3 | Very high | 91 | Very high | 27 Ų | 27 | 72 Ų | 72 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 178 | -173.3 | 175.5 | 67.2 | 0 | 0 | 112.2 | Y91 H92 L98 V99 L119 L122 Q123 | Y91-M95 WeakPolarHBondContact O-CB 3.46Å; Y91-M95 PolarHBondContact O-N 3.42Å; H92-M95 PolarHBondContact O-N 3.19Å; M95-L98 PolarHBondContact O-N 2.9Å; M95-V99 WeakPolarHBondContact O-CG2 3.42Å; M95-V99 PolarHBondContact O-N 3.04Å; M95-L119 HydrophobicContact CG-CD1 4.11Å; M95-L119 HydrophobicContact SD-CD1 3.86Å; M95-L122 HydrophobicContact CG-CB 4.29Å; M95-L122 HydrophobicContact CG-CD1 4.12Å; M95-L122 HydrophobicContact SD-CB 3.9Å; M95-Q123 HydrophobicContact SD-CG 4.09Å |
| 96 | K | 94.1 | Very high | 91.6 | Very high | 113 Ų | 113 | 71.8 Ų | 71.8 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.2 | -174.5 | -163.9 | 72.5 | -172.1 | 0 | 111.8 | H92 E93 C94 L98 V99 H100 | H92-K96 WeakPolarHBondContact O-CB 3.43Å; H92-K96 PolarHBondContact O-N 3.24Å; E93-K96 PolarHBondContact O-N 3.23Å; E93-K96 WeakPolarHBondContact OE1-CE 3.33Å; E93-K96 IonicContact OE1-NZ 2.64Å; E93-K96 PolarHBondContact OE1-NZ 3.49Å; E93-K96 WeakPolarHBondContact OE2-CE 3.44Å; E93-K96 IonicContact OE2-NZ 2.72Å; E93-K96 PolarHBondContact OE2-NZ 2.91Å; C94-K96 VanDerWaalsContact C-N 3.35Å; C94-K96 PolarHBondContact O-N 3.39Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.27Å; K96-V99 PolarHBondContact O-N 3.28Å; K96-H100 WeakPolarHBondContact O-CB 3.42Å; K96-H100 PolarHBondContact O-N 2.97Å |
| 97 | N | 95.6 | Very high | 92.4 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 177.4 | -77.3 | -77 | 0 | 0 | 0 | 111.8 | E93 C94 H100 Y101 | E93-N97 PolarHBondContact O-N 3.12Å; E93-N97 PolarHBondContact O-ND2 2.71Å; C94-N97 PolarHBondContact O-N 2.91Å; N97-H100 PolarHBondContact O-N 2.94Å; N97-Y101 WeakPolarHBondContact O-CB 3.5Å; N97-Y101 PolarHBondContact O-N 2.92Å |
| 98 | L | 95.9 | Very high | 93 | Very high | 63 Ų | 63 | 75.1 Ų | 75.1 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 173.3 | -178.1 | 66.2 | 0 | 0 | 0 | 112.1 | C94 M95 K96 H100 Y101 L102 I118 L122 | C94-L98 PolarHBondContact O-N 2.97Å; M95-L98 PolarHBondContact O-N 2.9Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.27Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 2.95Å; L98-Y101 PolarHBondContact O-N 3.44Å; L98-L102 HydrophobicContact CD1-CD1 4.43Å; L98-L102 HydrophobicContact CD1-CG 4.29Å; L98-L102 HydrophobicContact CG-CD1 4.09Å; L98-L102 HydrophobicContact CG-CG 4.37Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.15Å; L98-L102 PolarHBondContact O-N 2.64Å; L98-I118 HydrophobicContact CD2-CG2 3.81Å; L98-L122 HydrophobicContact CD2-CD1 3.54Å |
| 99 | V | 95.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 79.9 Ų | 79.9 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 175.8 | 165.7 | 0 | 0 | 0 | 0 | 111.1 | M95 K96 T103 Y115 L119 | M95-V99 WeakPolarHBondContact O-CG2 3.42Å; M95-V99 PolarHBondContact O-N 3.04Å; K96-V99 PolarHBondContact O-N 3.28Å; V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 WeakPolarHBondContact O-CG2 3.41Å; V99-T103 PolarHBondContact O-N 3.39Å; V99-T103 VanDerWaalsContact O-N 3.12Å; V99-T103 PolarHBondContact O-OG1 3.33Å; V99-Y115 HydrophobicContact CG1-CE2 4.26Å; V99-Y115 WeakPolarHBondContact CG1-OH 3.32Å; V99-Y115 HydrophobicContact CG2-CE2 4.42Å; V99-L119 HydrophobicContact CG2-CD1 4.02Å |
| 100 | H | 95.5 | Very high | 93.5 | Very high | 109 Ų | 109 | 79.7 Ų | 79.7 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -54.2 | 172.9 | -176 | -70.1 | 0 | 0 | 0 | 110.9 | K96 N97 L98 L102 T103 T104 | K96-H100 WeakPolarHBondContact O-CB 3.42Å; K96-H100 PolarHBondContact O-N 2.97Å; N97-H100 PolarHBondContact O-N 2.94Å; L98-H100 VanDerWaalsContact C-N 3.29Å; L98-H100 PolarHBondContact O-N 2.95Å; H100-L102 PolarHBondContact O-N 3.2Å; H100-T103 PolarHBondContact O-N 3.47Å; H100-T103 VanDerWaalsContact O-N 3.16Å; H100-T103 PolarHBondContact O-OG1 3.36Å; H100-T104 PolarHBondContact CE1-OG1 3.4Å; H100-T104 PolarHBondContact ND1-OG1 2.67Å; H100-T104 VanDerWaalsContact ND1-OG1 3.12Å; H100-T104 WeakPolarHBondContact O-CG2 3.42Å; H100-T104 PolarHBondContact O-N 3.49Å; H100-T104 PolarHBondContact O-OG1 3.2Å |
| 101 | Y | 96.8 | Very high | 93.8 | Very high | 126 Ų | 126 | 86.6 Ų | 86.6 | 49% | 0.494 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -54.1 | -48.5 | 178.7 | 173.9 | -89.3 | 0 | 0 | 0 | 113 | N97 L98 T103 E105 E106 | N97-Y101 WeakPolarHBondContact O-CB 3.5Å; N97-Y101 PolarHBondContact O-N 2.92Å; L98-Y101 PolarHBondContact O-N 3.44Å; Y101-T103 VanDerWaalsContact C-N 3.29Å; Y101-T103 PolarHBondContact O-N 3Å; Y101-E105 HydrophobicContact CD2-CB 3.88Å; Y101-E105 HydrophobicContact CD2-CG 3.75Å; Y101-E105 HydrophobicContact CE2-CB 3.89Å; Y101-E105 HydrophobicContact CE2-CG 4.14Å; Y101-E105 HydrophobicContact CG-CB 4.48Å; Y101-E105 HydrophobicContact CG-CG 4.49Å; Y101-E105 WeakPolarHBondContact O-CB 3.37Å; Y101-E105 PolarHBondContact O-N 3.03Å; Y101-E106 HydrophobicContact CE1-CB 4.35Å; Y101-E106 PolarHBondContact O-N 3.38Å; Y101-E106 VanDerWaalsContact O-N 3.14Å |
| 102 | L | 95.4 | Very high | 94 | Very high | 12 Ų | 12 | 86.7 Ų | 86.7 | 6% | 0.063 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.7 | -38.4 | -179.9 | -70.2 | 173.8 | 0 | 0 | 0 | 111.9 | L98 H100 E106 R107 V108 Y115 I118 | L98-L102 HydrophobicContact CD1-CD1 4.43Å; L98-L102 HydrophobicContact CD1-CG 4.29Å; L98-L102 HydrophobicContact CG-CD1 4.09Å; L98-L102 HydrophobicContact CG-CG 4.37Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.15Å; L98-L102 PolarHBondContact O-N 2.64Å; H100-L102 PolarHBondContact O-N 3.2Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.37Å; L102-R107 PolarHBondContact O-N 3.36Å; L102-R107 VanDerWaalsContact O-N 3.14Å; L102-V108 HydrophobicContact CD2-CG2 4.43Å; L102-V108 WeakPolarHBondContact O-CB 3.28Å; L102-V108 PolarHBondContact O-N 3.32Å; L102-Y115 HydrophobicContact CB-CD2 4.33Å; L102-Y115 HydrophobicContact CD1-CD2 4.11Å; L102-I118 HydrophobicContact CD1-CD1 4.45Å; L102-I118 HydrophobicContact CD1-CG2 4.41Å |
| 103 | T | 94.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 87.8 Ų | 87.8 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -88.3 | -30.8 | -175.5 | 53.3 | 0 | 0 | 0 | 0 | 114 | V99 H100 Y101 T110 Y115 | V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 WeakPolarHBondContact O-CG2 3.41Å; V99-T103 PolarHBondContact O-N 3.39Å; V99-T103 VanDerWaalsContact O-N 3.12Å; V99-T103 PolarHBondContact O-OG1 3.33Å; H100-T103 PolarHBondContact O-N 3.47Å; H100-T103 VanDerWaalsContact O-N 3.16Å; H100-T103 PolarHBondContact O-OG1 3.36Å; Y101-T103 VanDerWaalsContact C-N 3.29Å; Y101-T103 PolarHBondContact O-N 3Å; T103-T110 HydrophobicContact CG2-CG2 4.22Å; T103-Y115 HydrophobicContact CG2-CE2 3.98Å |
| 104 | T | 94.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 90.6 Ų | 90.6 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -96.7 | -47.5 | -177.5 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | H100 | H100-T104 PolarHBondContact CE1-OG1 3.4Å; H100-T104 PolarHBondContact ND1-OG1 2.67Å; H100-T104 VanDerWaalsContact ND1-OG1 3.12Å; H100-T104 WeakPolarHBondContact O-CG2 3.42Å; H100-T104 PolarHBondContact O-N 3.49Å; H100-T104 PolarHBondContact O-OG1 3.2Å |
| 105 | E | 94.4 | Very high | 94.2 | Very high | 121 Ų | 121 | 87.6 Ų | 87.6 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -54.4 | -174 | -53.1 | -50.5 | 124.4 | 0 | 0 | 110.8 | Y101 R107 | Y101-E105 HydrophobicContact CD2-CB 3.88Å; Y101-E105 HydrophobicContact CD2-CG 3.75Å; Y101-E105 HydrophobicContact CE2-CB 3.89Å; Y101-E105 HydrophobicContact CE2-CG 4.14Å; Y101-E105 HydrophobicContact CG-CB 4.48Å; Y101-E105 HydrophobicContact CG-CG 4.49Å; Y101-E105 WeakPolarHBondContact O-CB 3.37Å; Y101-E105 PolarHBondContact O-N 3.03Å; E105-R107 VanDerWaalsContact C-N 3.33Å |
| 106 | E | 92.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 88.8 Ų | 88.8 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -80.1 | -17.2 | -179.5 | -162.1 | -178.3 | 152 | 0 | 0 | 112.3 | Y101 L102 V108 | Y101-E106 HydrophobicContact CE1-CB 4.35Å; Y101-E106 PolarHBondContact O-N 3.38Å; Y101-E106 VanDerWaalsContact O-N 3.14Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.37Å; E106-V108 HydrophobicContact CB-CG2 3.95Å; E106-V108 HydrophobicContact CG-CG2 3.64Å; E106-V108 PolarHBondContact O-N 3.09Å; E106-V108 WeakPolarHBondContact OE1-CG2 3.3Å |
| 107 | R | 93.9 | Very high | 94.3 | Very high | 198 Ų | 198 | 92.2 Ų | 92.2 | 75% | 0.747 | 44% | 0.44 | S | S | * | . | trans | 53.8 | 33.5 | -177.8 | -56.8 | -173.2 | -176.3 | 80.3 | 2.5 | 114.1 | L102 E105 E109 | L102-R107 PolarHBondContact O-N 3.36Å; L102-R107 VanDerWaalsContact O-N 3.14Å; E105-R107 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.12Å | ||
| 108 | V | 94 | Very high | 94.3 | Very high | 16 Ų | 16 | 91 Ų | 91 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | trans | -66.5 | 124.7 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | L102 E106 D112 | L102-V108 HydrophobicContact CD2-CG2 4.43Å; L102-V108 WeakPolarHBondContact O-CB 3.28Å; L102-V108 PolarHBondContact O-N 3.32Å; E106-V108 HydrophobicContact CB-CG2 3.95Å; E106-V108 HydrophobicContact CG-CG2 3.64Å; E106-V108 PolarHBondContact O-N 3.09Å; E106-V108 WeakPolarHBondContact OE1-CG2 3.3Å; V108-D112 HydrophobicContact CG1-CB 3.66Å | ||
| 109 | E | 91.6 | Very high | 94.2 | Very high | 137 Ų | 137 | 89.3 Ų | 89.3 | 64% | 0.64 | 42% | 0.424 | S | S | * | . | trans | -63.9 | 142.8 | 174.9 | -68.8 | -166.5 | -178.3 | 0 | 0 | 111.2 | R107 K111 D112 | R107-E109 PolarHBondContact O-N 3.12Å; E109-K111 PolarHBondContact O-N 3.46Å; E109-D112 WeakPolarHBondContact O-CB 3.46Å; E109-D112 PolarHBondContact O-N 3.38Å | ||
| 110 | T | 90.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 90.1 Ų | 90.1 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.5 | 176.4 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | T103 Y115 | T103-T110 HydrophobicContact CG2-CG2 4.22Å; T110-Y115 HydrophobicContact CG2-CE1 4.16Å; T110-Y115 WeakPolarHBondContact O-CD1 3.43Å |
| 111 | K | 91.7 | Very high | 94.1 | Very high | 182 Ų | 182 | 90.7 Ų | 90.7 | 79% | 0.791 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -9.7 | 173 | -62.1 | 177.7 | -176.3 | 172.4 | 0 | 113.4 | E109 I113 | E109-K111 PolarHBondContact O-N 3.46Å; K111-I113 PolarHBondContact O-N 3.24Å |
| 112 | D | 95.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 86.2 Ų | 86.2 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | trans | -65.8 | 132 | 179.1 | -169.3 | -37.9 | 0 | 0 | 0 | 110.3 | V108 E109 K114 Y115 A116 | V108-D112 HydrophobicContact CG1-CB 3.66Å; E109-D112 WeakPolarHBondContact O-CB 3.46Å; E109-D112 PolarHBondContact O-N 3.38Å; D112-K114 PolarHBondContact O-N 3.45Å; D112-K114 WeakPolarHBondContact OD1-CB 3.34Å; D112-K114 WeakPolarHBondContact OD1-CE 3.49Å; D112-K114 PolarHBondContact OD1-N 2.97Å; D112-K114 WeakPolarHBondContact OD2-CE 3.33Å; D112-K114 IonicContact OD2-NZ 3.03Å; D112-K114 PolarHBondContact OD2-NZ 3.39Å; D112-Y115 WeakPolarHBondContact O-CB 3.35Å; D112-Y115 PolarHBondContact O-N 2.89Å; D112-Y115 VanDerWaalsContact O-N 3.09Å; D112-A116 PolarHBondContact O-N 3.46Å | ||
| 113 | I | 94.7 | Very high | 93.7 | Very high | 115 Ų | 115 | 89.7 Ų | 89.7 | 59% | 0.59 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -57.6 | -33.1 | 178.4 | -60.2 | 172.4 | 0 | 0 | 0 | 111.1 | K111 R117 | K111-I113 PolarHBondContact O-N 3.24Å; I113-R117 HydrophobicContact CG2-CG 4.34Å; I113-R117 WeakPolarHBondContact O-CB 3.49Å; I113-R117 VanDerWaalsContact O-CG 3.25Å; I113-R117 WeakPolarHBondContact O-CG 3.42Å; I113-R117 PolarHBondContact O-N 3.02Å |
| 114 | K | 92.7 | Very high | 93.5 | Very high | 121 Ų | 121 | 90.3 Ų | 90.3 | 53% | 0.526 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 175.1 | -65.2 | 170.6 | -73.3 | 157.3 | 0 | 111 | D112 A116 R117 I118 | D112-K114 PolarHBondContact O-N 3.45Å; D112-K114 WeakPolarHBondContact OD1-CB 3.34Å; D112-K114 WeakPolarHBondContact OD1-CE 3.49Å; D112-K114 PolarHBondContact OD1-N 2.97Å; D112-K114 WeakPolarHBondContact OD2-CE 3.33Å; D112-K114 IonicContact OD2-NZ 3.03Å; D112-K114 PolarHBondContact OD2-NZ 3.39Å; K114-A116 PolarHBondContact O-N 3.32Å; K114-R117 PolarHBondContact O-N 3.25Å; K114-I118 VanDerWaalsContact O-CG1 3.27Å; K114-I118 WeakPolarHBondContact O-CG1 3.39Å; K114-I118 PolarHBondContact O-N 3.22Å |
| 115 | Y | 95.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 92.5 Ų | 92.5 | 9% | 0.09 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.9 | -49.8 | 177.3 | 176.3 | -89.5 | 0 | 0 | 0 | 110.7 | V99 L102 T103 T110 D112 R117 I118 L119 | V99-Y115 HydrophobicContact CG1-CE2 4.26Å; V99-Y115 WeakPolarHBondContact CG1-OH 3.32Å; V99-Y115 HydrophobicContact CG2-CE2 4.42Å; L102-Y115 HydrophobicContact CB-CD2 4.33Å; L102-Y115 HydrophobicContact CD1-CD2 4.11Å; T103-Y115 HydrophobicContact CG2-CE2 3.98Å; T110-Y115 HydrophobicContact CG2-CE1 4.16Å; T110-Y115 WeakPolarHBondContact O-CD1 3.43Å; D112-Y115 WeakPolarHBondContact O-CB 3.35Å; D112-Y115 PolarHBondContact O-N 2.89Å; D112-Y115 VanDerWaalsContact O-N 3.09Å; Y115-R117 PolarHBondContact O-N 3.01Å; Y115-I118 PolarHBondContact O-N 3.43Å; Y115-L119 HydrophobicContact CE1-CD2 4.1Å; Y115-L119 WeakPolarHBondContact O-CB 3.49Å; Y115-L119 PolarHBondContact O-N 3.01Å |
| 116 | A | 94.9 | Very high | 92.5 | Very high | 53 Ų | 53 | 87.4 Ų | 87.4 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D112 K114 A120 | D112-A116 PolarHBondContact O-N 3.46Å; K114-A116 PolarHBondContact O-N 3.32Å; A116-A120 VanDerWaalsContact O-CB 3.23Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.23Å |
| 117 | R | 95.9 | Very high | 91.3 | Very high | 185 Ų | 185 | 91.7 Ų | 91.7 | 70% | 0.698 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 177.5 | -77 | 178.2 | -175.6 | -168.5 | 3.8 | 112.8 | I113 K114 Y115 F121 | I113-R117 HydrophobicContact CG2-CG 4.34Å; I113-R117 WeakPolarHBondContact O-CB 3.49Å; I113-R117 VanDerWaalsContact O-CG 3.25Å; I113-R117 WeakPolarHBondContact O-CG 3.42Å; I113-R117 PolarHBondContact O-N 3.02Å; K114-R117 PolarHBondContact O-N 3.25Å; Y115-R117 PolarHBondContact O-N 3.01Å; R117-F121 VanDerWaalsContact O-CB 3.29Å; R117-F121 WeakPolarHBondContact O-CB 3.34Å; R117-F121 PolarHBondContact O-N 3.21Å |
| 118 | I | 94.9 | Very high | 89.7 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 34% | 0.344 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 178.5 | -69.5 | 165 | 0 | 0 | 0 | 110 | L98 L102 K114 Y115 F121 L122 | L98-I118 HydrophobicContact CD2-CG2 3.81Å; L102-I118 HydrophobicContact CD1-CD1 4.45Å; L102-I118 HydrophobicContact CD1-CG2 4.41Å; K114-I118 VanDerWaalsContact O-CG1 3.27Å; K114-I118 WeakPolarHBondContact O-CG1 3.39Å; K114-I118 PolarHBondContact O-N 3.22Å; Y115-I118 PolarHBondContact O-N 3.43Å; I118-F121 PolarHBondContact O-N 3.03Å; I118-L122 HydrophobicContact CG2-CD1 4.02Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 2.74Å |
| 119 | L | 94.1 | Very high | 87.8 | Confident | 27 Ų | 27 | 88 Ų | 88 | 14% | 0.141 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | -179 | -173.4 | 59.6 | 0 | 0 | 0 | 111.8 | M95 V99 Y115 F121 L122 Q123 | M95-L119 HydrophobicContact CG-CD1 4.11Å; M95-L119 HydrophobicContact SD-CD1 3.86Å; V99-L119 HydrophobicContact CG2-CD1 4.02Å; Y115-L119 HydrophobicContact CE1-CD2 4.1Å; Y115-L119 WeakPolarHBondContact O-CB 3.49Å; Y115-L119 PolarHBondContact O-N 3.01Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-F121 PolarHBondContact O-N 3.28Å; L119-L122 PolarHBondContact O-N 3.14Å; L119-Q123 HydrophobicContact CD1-CG 4.36Å; L119-Q123 HydrophobicContact CG-CG 4.48Å; L119-Q123 WeakPolarHBondContact O-CB 3.39Å; L119-Q123 VanDerWaalsContact O-CG 3.27Å; L119-Q123 WeakPolarHBondContact O-CG 3.4Å; L119-Q123 PolarHBondContact O-N 2.88Å |
| 120 | A | 94.1 | Very high | 85.7 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A116 S124 | A116-A120 VanDerWaalsContact O-CB 3.23Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.23Å; A120-S124 WeakPolarHBondContact O-CB 3.41Å; A120-S124 PolarHBondContact O-N 3.08Å |
| 121 | F | 93.8 | Very high | 83.6 | Confident | 122 Ų | 122 | 89.5 Ų | 89.5 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 175.1 | 174.5 | -99.4 | 0 | 0 | 0 | 111.5 | R117 I118 L119 S124 K125 | R117-F121 VanDerWaalsContact O-CB 3.29Å; R117-F121 WeakPolarHBondContact O-CB 3.34Å; R117-F121 PolarHBondContact O-N 3.21Å; I118-F121 PolarHBondContact O-N 3.03Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-F121 PolarHBondContact O-N 3.28Å; F121-S124 PolarHBondContact O-N 3.24Å; F121-S124 PolarHBondContact O-OG 3.49Å; F121-K125 HydrophobicContact CE1-CG 4.29Å; F121-K125 HydrophobicContact CE2-CG 4.14Å; F121-K125 HydrophobicContact CZ-CG 4.01Å; F121-K125 WeakPolarHBondContact O-CG 3.49Å; F121-K125 PolarHBondContact O-N 2.97Å |
| 122 | L | 93.5 | Very high | 81.5 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 180 | -65.6 | 172.1 | 0 | 0 | 0 | 112 | Y91 M95 L98 I118 L119 S124 K125 S126 | Y91-L122 HydrophobicContact CE1-CB 4.4Å; Y91-L122 WeakPolarHBondContact CE1-O 3.46Å; Y91-L122 WeakPolarHBondContact OH-CA 3.17Å; Y91-L122 VanDerWaalsContact OH-CD2 3.27Å; Y91-L122 WeakPolarHBondContact OH-CD2 3.43Å; Y91-L122 PolarHBondContact OH-O 3.07Å; M95-L122 HydrophobicContact CG-CB 4.29Å; M95-L122 HydrophobicContact CG-CD1 4.12Å; M95-L122 HydrophobicContact SD-CB 3.9Å; L98-L122 HydrophobicContact CD2-CD1 3.54Å; I118-L122 HydrophobicContact CG2-CD1 4.02Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 2.74Å; L119-L122 PolarHBondContact O-N 3.14Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 2.82Å; L122-K125 PolarHBondContact O-N 3.27Å; L122-S126 PolarHBondContact O-N 3.38Å |
| 123 | Q | 91.3 | Very high | 79.2 | Confident | 85 Ų | 85 | 87.5 Ų | 87.5 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 173.4 | -72.4 | 175.3 | -15.2 | 0 | 0 | 112.8 | M95 L119 S126 | M95-Q123 HydrophobicContact SD-CG 4.09Å; L119-Q123 HydrophobicContact CD1-CG 4.36Å; L119-Q123 HydrophobicContact CG-CG 4.48Å; L119-Q123 WeakPolarHBondContact O-CB 3.39Å; L119-Q123 VanDerWaalsContact O-CG 3.27Å; L119-Q123 WeakPolarHBondContact O-CG 3.4Å; L119-Q123 PolarHBondContact O-N 2.88Å; Q123-S126 PolarHBondContact O-OG 3Å |
| 124 | S | 90.7 | Very high | 76.9 | Confident | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 174.9 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | A120 F121 L122 | A120-S124 WeakPolarHBondContact O-CB 3.41Å; A120-S124 PolarHBondContact O-N 3.08Å; F121-S124 PolarHBondContact O-N 3.24Å; F121-S124 PolarHBondContact O-OG 3.49Å; L122-S124 VanDerWaalsContact C-N 3.3Å; L122-S124 PolarHBondContact O-N 2.82Å |
| 125 | K | 84.8 | Confident | 74.2 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -82.1 | -26.8 | -177.4 | -68.2 | -64.5 | -179.2 | -178.7 | 0 | 113.5 | F121 L122 R127 V128 | F121-K125 HydrophobicContact CE1-CG 4.29Å; F121-K125 HydrophobicContact CE2-CG 4.14Å; F121-K125 HydrophobicContact CZ-CG 4.01Å; F121-K125 WeakPolarHBondContact O-CG 3.49Å; F121-K125 PolarHBondContact O-N 2.97Å; L122-K125 PolarHBondContact O-N 3.27Å; K125-R127 PolarHBondContact O-N 3.32Å; K125-R127 VanDerWaalsContact O-N 3.17Å; K125-V128 PolarHBondContact O-N 2.83Å; K125-V128 VanDerWaalsContact O-N 3.16Å |
| 126 | S | 82.1 | Confident | 71.5 | Confident | 14 Ų | 14 | 89.5 Ų | 89.5 | 10% | 0.098 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -57.3 | -29.9 | 174.8 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | H88 L122 Q123 | H88-S126 PolarHBondContact CE1-O 2.71Å; H88-S126 PolarHBondContact ND1-O 3.14Å; L122-S126 PolarHBondContact O-N 3.38Å; Q123-S126 PolarHBondContact O-OG 3Å |
| 127 | R | 68.4 | Low | 69 | Low | 191 Ų | 191 | 95.9 Ų | 95.9 | 72% | 0.721 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.9 | -178.7 | -58.3 | -174.7 | -177.8 | -150.4 | -1.2 | 115 | K125 | K125-R127 PolarHBondContact O-N 3.32Å; K125-R127 VanDerWaalsContact O-N 3.17Å |
| 128 | V | 59.6 | Low | 66.3 | Low | 94 Ų | 94 | 90.5 Ų | 90.5 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -20.4 | -170.5 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | K125 N130 | K125-V128 PolarHBondContact O-N 2.83Å; K125-V128 VanDerWaalsContact O-N 3.16Å; V128-N130 PolarHBondContact O-N 3.42Å |
| 129 | V | 53.8 | Low | 63.5 | Low | 43 Ų | 43 | 90.7 Ų | 90.7 | 26% | 0.261 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 32.5 | -174.7 | -159.5 | 0 | 0 | 0 | 0 | 112.9 | F87 | F87-V129 HydrophobicContact CD1-CB 4Å; F87-V129 HydrophobicContact CD1-CG1 3.9Å; F87-V129 HydrophobicContact CE1-CB 3.52Å; F87-V129 HydrophobicContact CE1-CG1 3.57Å; F87-V129 HydrophobicContact CE1-CG2 3.62Å; F87-V129 HydrophobicContact CE2-CG1 4.26Å; F87-V129 HydrophobicContact CG-CG1 4.41Å; F87-V129 HydrophobicContact CZ-CB 4.1Å; F87-V129 HydrophobicContact CZ-CG1 3.77Å; F87-V129 HydrophobicContact CZ-CG2 3.91Å |
| 130 | N | 48 | Very low | 60.6 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 57% | 0.572 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -19 | 164.3 | -78.3 | -11.7 | 0 | 0 | 0 | 111.9 | H88 V128 P132 | H88-N130 VanDerWaalsContact NE2-CG 3.31Å; H88-N130 PolarHBondContact NE2-OD1 3.5Å; V128-N130 PolarHBondContact O-N 3.42Å; N130-P132 WeakPolarHBondContact O-CD 3.48Å |
| 131 | E | 45.9 | Very low | 58 | Low | 153 Ų | 153 | 99.2 Ų | 99.2 | 72% | 0.715 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -81.9 | 116.6 | 163.5 | -80.4 | -59.4 | 139 | 0 | 0 | 109.2 | V133 | E131-V133 PolarHBondContact O-N 3.03Š|
| 132 | P | 46.7 | Very low | 55.5 | Low | 54 Ų | 54 | 99.4 Ų | 99.4 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | trans | -69.1 | 116.3 | -177.3 | 27.9 | -34.2 | 0 | 0 | 0 | 110.4 | L80 N130 F134 | L80-P132 HydrophobicContact CD1-CB 4.21Å; L80-P132 HydrophobicContact CD1-CG 4.46Å; L80-P132 HydrophobicContact CD2-CG 4.19Å; N130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-F134 HydrophobicContact CB-CD2 4.2Å; P132-F134 PolarHBondContact O-N 2.94Å | ||
| 133 | V | 48.4 | Very low | 53 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 81% | 0.806 | 60% | 0.6 | S | S | * | * | trans | -73.4 | 35.2 | 166.8 | -163.3 | 0 | 0 | 0 | 0 | 111.1 | E131 G135 | E131-V133 PolarHBondContact O-N 3.03Å; V133-G135 VanDerWaalsContact C-N 3.26Å; V133-G135 PolarHBondContact O-N 2.97Å | ||
| 134 | F | 45 | Very low | 50.6 | Low | 148 Ų | 148 | 104.7 Ų | 104.7 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | trans | -91.4 | 73.2 | 157.8 | -69.8 | -77.1 | 0 | 0 | 0 | 106.5 | L65 P132 S136 | L65-F134 HydrophobicContact CD2-CE1 4.14Å; L65-F134 HydrophobicContact CD2-CZ 4.41Å; P132-F134 HydrophobicContact CB-CD2 4.2Å; P132-F134 PolarHBondContact O-N 2.94Å; F134-S136 PolarHBondContact O-N 3.28Å | ||
| 135 | G | 37.8 | Very low | 48 | Very low | 59 Ų | 59 | 108.1 Ų | 108.1 | 61% | 0.608 | 61% | 0.614 | S | S | * | * | trans | -56.3 | 131.2 | -178 | 0 | 0 | 0 | 0 | 0 | 110.7 | V133 L137 | V133-G135 VanDerWaalsContact C-N 3.26Å; V133-G135 PolarHBondContact O-N 2.97Å; G135-L137 PolarHBondContact O-N 3.24Å | ||
| 136 | S | 37 | Very low | 45.9 | Very low | 94 Ų | 94 | 114 Ų | 114 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | trans | -58.7 | 109.8 | 165.8 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | F134 G138 | F134-S136 PolarHBondContact O-N 3.28Å; S136-G138 PolarHBondContact O-N 3.04Å; S136-G138 PolarHBondContact OG-N 3.47Å | ||
| 137 | L | 43.8 | Very low | 43.7 | Very low | 188 Ų | 188 | 120.9 Ų | 120.9 | 98% | 0.984 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 5.6 | 173.6 | -77 | 168.4 | 0 | 0 | 0 | 112.8 | G135 | G135-L137 PolarHBondContact O-N 3.24Š|
| 138 | G | 39 | Very low | 42.1 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -0 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | S136 | S136-G138 PolarHBondContact O-N 3.04Å; S136-G138 PolarHBondContact OG-N 3.47Å |
| 139 | A | 36.4 | Very low | 40.8 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | trans | -136.2 | 83.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P141 | A139-P141 WeakPolarHBondContact O-CD 3.46Š| ||
| 140 | L | 33.2 | Very low | 39.8 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | trans | -65.8 | 118.5 | 159.8 | -178.4 | 74.4 | 0 | 0 | 0 | 108.3 | ||||
| 141 | P | 38.4 | Very low | 39 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -71.6 | 129.1 | 158.7 | -0.4 | 18.6 | 0 | 0 | 0 | 107.1 | A139 Q143 | A139-P141 WeakPolarHBondContact O-CD 3.46Å; P141-Q143 PolarHBondContact O-N 3.38Å | ||
| 142 | D | 41.5 | Very low | 38.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | -50 | 109.3 | -174.9 | -165 | 1.6 | 0 | 0 | 0 | 112.1 | A144 | D142-A144 PolarHBondContact O-N 3.09Å; D142-A144 WeakPolarHBondContact OD1-CB 3.34Å | ||
| 143 | Q | 41.9 | Very low | 37.3 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 43.5 | -179 | -163.9 | -179.8 | 81.2 | 0 | 0 | 110.5 | P141 | P141-Q143 PolarHBondContact O-N 3.38Š|
| 144 | A | 39.3 | Very low | 37.1 | Very low | 51 Ų | 51 | 133 Ų | 133 | 42% | 0.421 | 75% | 0.754 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | -35.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D142 | D142-A144 PolarHBondContact O-N 3.09Å; D142-A144 WeakPolarHBondContact OD1-CB 3.34Å |
| 145 | D | 36.3 | Very low | 36.2 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -8.6 | -162.1 | -71.3 | -34.3 | 0 | 0 | 0 | 116.5 | ||
| 146 | Y | 41.4 | Very low | 35.7 | Very low | 224 Ų | 224 | 135.6 Ų | 135.6 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -3.5 | -174.7 | -74.6 | -76.9 | 0 | 0 | 0 | 115.8 | ||
| 147 | L | 37 | Very low | 35.4 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -101.7 | -13.8 | -176.9 | -133.9 | 155.4 | 0 | 0 | 0 | 113.6 | Q149 | L147-Q149 PolarHBondContact O-N 3.08Š|
| 148 | C | 34.7 | Very low | 34.7 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 28.7 | -172.6 | -71.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 149 | Q | 31.4 | Very low | 34.1 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 32 | 179.8 | -160 | 139.3 | 70.7 | 0 | 0 | 115.4 | L147 | L147-Q149 PolarHBondContact O-N 3.08Š|
| 150 | F | 33.6 | Very low | 33.7 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -132.1 | 146.3 | 154.2 | -78.2 | -81.1 | 0 | 0 | 0 | 110 | ||
| 151 | H | 30.5 | Very low | 33.5 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | 78.5 | 76.7 | -175.6 | -56.1 | -85.1 | 0 | 0 | 0 | 117 | ||||
| 152 | S | 27.9 | Very low | 34.2 | Very low | 127 Ų | 127 | 142 Ų | 142 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -85.9 | 124.6 | 147.8 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 153 | S | 28.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 156.6 | 141.5 | 128.2 | -157.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 154 | P | 45.1 | Very low | 33.1 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -106.7 | 165.9 | -165.9 | 40.8 | -34.4 | 0 | 0 | 0 | 114.3 | ||||
| 155 | E | 26.9 | Very low | 32.7 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 158.2 | 150.5 | 150.3 | -91.9 | -176 | 107.6 | 0 | 0 | 107.9 | ||||
| 156 | S | 27.1 | Very low | 32.4 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 52% | 0.517 | 77% | 0.771 | S | S | . | * | cis | -169.5 | 155.1 | -22.6 | 50.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 157 | H | 30.8 | Very low | 32 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | 62.5 | 158.5 | 169.4 | -52 | -66.7 | 0 | 0 | 0 | 118 | ||||
| 158 | Q | 28.1 | Very low | 31.8 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | cis | -173.6 | 141.1 | -37 | -149 | -172 | 23.3 | 0 | 0 | 105.9 | ||||
| 159 | S | 26.4 | Very low | 31.7 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | trans | 81.2 | 146.2 | 149.4 | -50.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 160 | H | 28.4 | Very low | 31.7 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | trans | 96.7 | 120.6 | 155.6 | -55.1 | -64.9 | 0 | 0 | 0 | 121.1 | ||||
| 161 | S | 28.8 | Very low | 32.2 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -109.5 | -173.4 | 161.8 | -153.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 162 | P | 52.4 | Low | 32.9 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | cis | -137.6 | -149.3 | -2.2 | 40.3 | -17.7 | 0 | 0 | 0 | 113.6 | ||||
| 163 | S | 30.9 | Very low | 33.1 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 84.4 | 141.9 | 162 | -69.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 164 | D | 29.7 | Very low | 33.4 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | cis | -162.2 | 159.5 | -9.5 | -114.6 | -45.3 | 0 | 0 | 0 | 113.6 | ||||
| 165 | S | 31.2 | Very low | 32.8 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 117.5 | 110.8 | 152.1 | -48.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 166 | V | 30.6 | Very low | 33 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | 72.3 | 111 | 57.1 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 167 | L | 32.6 | Very low | 33.5 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | cis | -145.7 | -168.3 | 37.5 | -77.2 | 172 | 0 | 0 | 0 | 111.6 | ||||
| 168 | Q | 32.2 | Very low | 34 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | 177.9 | 120 | -49.5 | -178.2 | 78.8 | 92.6 | 0 | 0 | 111 | ||||
| 169 | Q | 32.2 | Very low | 34.1 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 65.5 | 144.6 | 161.4 | -71.4 | 169.1 | 43.4 | 0 | 0 | 118.3 | ||||
| 170 | S | 31.8 | Very low | 34.5 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -156.5 | 169.7 | 3.8 | -90.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 171 | P | 44.1 | Very low | 34.9 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -113.4 | -168.1 | -170.2 | 43.8 | -35.2 | 0 | 0 | 0 | 114.4 | ||||
| 172 | P | 45.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | cis | -123.6 | 169.5 | -35.8 | 32.8 | -16.4 | 0 | 0 | 0 | 113.3 | ||||
| 173 | G | 31.7 | Very low | 34.6 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -135.2 | 87.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 174 | H | 35 | Very low | 35 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | -109.5 | 105.9 | -176.4 | -173 | -107.8 | 0 | 0 | 0 | 111.5 | S176 | H174-S176 PolarHBondContact CE1-OG 3.1Š| ||
| 175 | F | 32.2 | Very low | 35.3 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | trans | -97.6 | 85.1 | 173.2 | -82.5 | -80.8 | 0 | 0 | 0 | 111.2 | ||||
| 176 | S | 32.1 | Very low | 35.6 | Very low | 58 Ų | 58 | 137.8 Ų | 137.8 | 41% | 0.406 | 76% | 0.761 | S | S | . | * | trans | -85.1 | 119.4 | 161.6 | -78.7 | 0 | 0 | 0 | 0 | 110.6 | H174 H178 | H174-S176 PolarHBondContact CE1-OG 3.1Å; S176-H178 PolarHBondContact O-CE1 3.02Å; S176-H178 PolarHBondContact O-N 3.21Å; S176-H178 VanDerWaalsContact O-N 3.08Å; S176-H178 PolarHBondContact O-ND1 3.48Å | ||
| 177 | W | 35.7 | Very low | 35.8 | Very low | 239 Ų | 239 | 137.2 Ų | 137.2 | 91% | 0.905 | 76% | 0.762 | S | S | * | * | trans | -77.1 | 86.2 | 164.5 | -73.4 | 85.2 | 0 | 0 | 0 | 110.1 | ||||
| 178 | H | 42.8 | Very low | 36.1 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -86 | 116.2 | 161.5 | 28.4 | -99.8 | 0 | 0 | 0 | 109.7 | S176 | S176-H178 PolarHBondContact O-CE1 3.02Å; S176-H178 PolarHBondContact O-N 3.21Å; S176-H178 VanDerWaalsContact O-N 3.08Å; S176-H178 PolarHBondContact O-ND1 3.48Å | ||
| 179 | S | 29.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -152.1 | 65.6 | 171.6 | -75.1 | 0 | 0 | 0 | 0 | 110.5 | A181 | S179-A181 VanDerWaalsContact C-N 3.27Å; S179-A181 PolarHBondContact O-N 3.21Å | ||
| 180 | T | 34.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 82.2 | 167.1 | -55.5 | 0 | 0 | 0 | 0 | 108.9 | R182 | T180-R182 PolarHBondContact O-N 2.84Š| ||
| 181 | A | 36.6 | Very low | 37.1 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -68.7 | 111 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S179 S183 | S179-A181 VanDerWaalsContact C-N 3.27Å; S179-A181 PolarHBondContact O-N 3.21Å; A181-S183 PolarHBondContact O-N 2.97Å | ||
| 182 | R | 41.4 | Very low | 36.9 | Very low | 242 Ų | 242 | 138 Ų | 138 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -63.4 | 130.3 | 164.5 | -81.8 | -179 | 166.9 | -138.3 | -0.5 | 109.1 | T180 | T180-R182 PolarHBondContact O-N 2.84Š| ||
| 183 | S | 33.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -141.5 | 152.6 | 161.4 | -84.3 | 0 | 0 | 0 | 0 | 109.6 | A181 | A181-S183 PolarHBondContact O-N 2.97Š| ||
| 184 | P | 39.6 | Very low | 36.3 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -89.9 | 161.5 | -143.2 | 33.1 | -37.2 | 0 | 0 | 0 | 115.7 | M186 | P184-M186 PolarHBondContact O-N 3.49Š| ||
| 185 | T | 36.8 | Very low | 36.2 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 118.8 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 186 | M | 37.4 | Very low | 36.9 | Very low | 145 Ų | 145 | 135 Ų | 135 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -90.2 | 112 | 164.1 | -78.2 | -70.8 | 102.6 | 0 | 0 | 110 | P184 | P184-M186 PolarHBondContact O-N 3.49Š| ||
| 187 | S | 34.2 | Very low | 36.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 123.6 | 175 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 188 | Y | 39.6 | Very low | 37 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 138.9 | 167.3 | -68.7 | -83.5 | 0 | 0 | 0 | 109.8 | ||
| 189 | P | 39.4 | Very low | 36.4 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 138.5 | -179.9 | 29.7 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 190 | T | 37.9 | Very low | 36.7 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 132.6 | 172.6 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 191 | V | 40.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -104.1 | 130.1 | 170.9 | -148.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 192 | P | 39 | Very low | 36.2 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -76.8 | 152.4 | -173.2 | 29.1 | -34.8 | 0 | 0 | 0 | 114 | ||||
| 193 | L | 32.6 | Very low | 35.8 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -69.3 | 135.4 | 176.9 | 177.5 | 67.6 | 0 | 0 | 0 | 111.9 | ||||
| 194 | S | 31.8 | Very low | 36 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -142.2 | 122.8 | 170.4 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 195 | A | 34.3 | Very low | 35.8 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -159.6 | 163.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 196 | P | 46.8 | Very low | 35.8 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -124 | 168.8 | -3.5 | 39.6 | -26.3 | 0 | 0 | 0 | 113.4 | ||||
| 197 | M | 32.1 | Very low | 35.7 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | trans | -142.1 | 151.4 | 145.6 | -94 | -147.2 | 76 | 0 | 0 | 111.7 | ||||
| 198 | Q | 36.3 | Very low | 35.8 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -101.7 | 146 | -165.9 | -179.1 | 179.6 | 9.7 | 0 | 0 | 110.1 | ||||
| 199 | Q | 31.9 | Very low | 35.9 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | 161.6 | 129 | 127.9 | -86.9 | -165.7 | -1.7 | 0 | 0 | 112.9 | |||||
| 200 | H | 35.1 | Very low | 36.3 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | 36.2 | 145 | 149.7 | -53.8 | -90.1 | 0 | 0 | 0 | 120.1 | ||||
| 201 | H | 32.3 | Very low | 36.4 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | -168.5 | 156 | 53.4 | -62.6 | 77.2 | 0 | 0 | 0 | 111.6 | |||||
| 202 | G | 28 | Very low | 36.3 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 73.6 | 134.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 203 | G | 31.9 | Very low | 36.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | 82.2 | 112.5 | 38 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 204 | Y | 39.2 | Very low | 36.8 | Very low | 230 Ų | 230 | 140 Ų | 140 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | cis | -150 | 145 | 24.4 | -70 | -112.2 | 0 | 0 | 0 | 110.8 | ||||
| 205 | L | 35.2 | Very low | 37.2 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | trans | -155 | 123.9 | 142.7 | -82.4 | -169.2 | 0 | 0 | 0 | 109.3 | ||||
| 206 | S | 36.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -95.5 | 138.9 | 173.6 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | V208 | S206-V208 PolarHBondContact O-N 3.08Š| ||
| 207 | P | 35.7 | Very low | 37.2 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -72.6 | 117.7 | 169.9 | 30 | -31.4 | 0 | 0 | 0 | 109.5 | Q209 | P207-Q209 PolarHBondContact O-N 2.96Š| ||
| 208 | V | 36.8 | Very low | 37.7 | Very low | 139 Ų | 139 | 148 Ų | 148 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 98.9 | 169.5 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | S206 | S206-V208 PolarHBondContact O-N 3.08Š| ||
| 209 | Q | 41.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 129.3 | 165.4 | -67.9 | 179.1 | -32.9 | 0 | 0 | 109.3 | P207 | P207-Q209 PolarHBondContact O-N 2.96Š| ||
| 210 | G | 46.7 | Very low | 38.3 | Very low | 68 Ų | 68 | 146.1 Ų | 146.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 114.1 | 89.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 211 | L | 41.3 | Very low | 38.1 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -149.7 | 2.2 | 154 | -115.5 | 163.2 | 0 | 0 | 0 | 115.4 | ||
| 212 | D | 37.1 | Very low | 38.1 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -100.2 | -9.1 | -173.7 | -79.2 | -69.7 | 0 | 0 | 0 | 116.8 | ||
| 213 | H | 40.8 | Very low | 38.7 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -89.3 | -5.5 | -172 | -92.6 | 57.6 | 0 | 0 | 0 | 115.9 | ||
| 214 | H | 40.9 | Very low | 38.9 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -95 | -5.8 | -169.1 | -68.1 | -64.3 | 0 | 0 | 0 | 116.3 | ||
| 215 | Y | 40.7 | Very low | 38.8 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -105.7 | -10.7 | 179.6 | -93.3 | -86.5 | 0 | 0 | 0 | 115.5 | N217 | Y215-N217 PolarHBondContact O-N 3.04Š|
| 216 | F | 42.7 | Very low | 38.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -73.2 | -22.3 | -176 | -109.6 | -83.9 | 0 | 0 | 0 | 114.7 | F218 | F216-F218 PolarHBondContact O-N 2.81Š|
| 217 | N | 38.3 | Very low | 38.7 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -83.5 | -7.4 | -170.3 | -98.1 | 9.4 | 0 | 0 | 0 | 116.1 | Y215 | Y215-N217 PolarHBondContact O-N 3.04Š|
| 218 | F | 42.2 | Very low | 38.9 | Very low | 177 Ų | 177 | 146 Ų | 146 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -88.3 | -7.8 | -175.4 | -86.1 | -76.2 | 0 | 0 | 0 | 115.6 | F216 | F216-F218 PolarHBondContact O-N 2.81Š|
| 219 | F | 42.5 | Very low | 38.8 | Very low | 154 Ų | 154 | 145 Ų | 145 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -115.2 | -8.7 | -175 | -70.1 | -73.7 | 0 | 0 | 0 | 115.7 | G221 | F219-G221 PolarHBondContact O-N 3.11Š|
| 220 | N | 38.5 | Very low | 38.8 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -101.4 | 49.4 | -175.4 | -99.5 | 61.4 | 0 | 0 | 0 | 113.8 | H222 | N220-H222 PolarHBondContact O-N 3.49Å; N220-H222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | G | 31.1 | Very low | 38.6 | Very low | 74 Ų | 74 | 150 Ų | 150 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -62.8 | 109.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F219 | F219-G221 PolarHBondContact O-N 3.11Š| ||
| 222 | H | 33.8 | Very low | 38.4 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.8 | 176.4 | -92.5 | 54.8 | 0 | 0 | 0 | 111.5 | N220 H224 | N220-H222 PolarHBondContact O-N 3.49Å; N220-H222 VanDerWaalsContact O-N 3.13Å; H222-H224 PolarHBondContact O-N 3.06Å |
| 223 | P | 39.1 | Very low | 38.6 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 118.9 | 160.9 | 31 | -29.7 | 0 | 0 | 0 | 108.9 | A225 | P223-A225 PolarHBondContact O-N 3.16Š|
| 224 | H | 37.3 | Very low | 38.9 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.1 | 173.8 | -160.5 | -70.2 | 0 | 0 | 0 | 109.6 | H222 | H222-H224 PolarHBondContact O-N 3.06Š|
| 225 | A | 36.1 | Very low | 39 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 163.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P223 | P223-A225 PolarHBondContact O-N 3.16Š|
| 226 | N | 35.4 | Very low | 39.2 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.5 | -175.4 | -65.8 | -50.5 | 0 | 0 | 0 | 114.7 | ||
| 227 | A | 34.8 | Very low | 39.3 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -133.6 | 61.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S229 | A227-S229 PolarHBondContact O-N 3.26Š| ||
| 228 | F | 40.2 | Very low | 39.4 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 89% | 0.886 | 82% | 0.819 | S | S | * | * | trans | -86.2 | 97.8 | 161.3 | -80.1 | -77.1 | 0 | 0 | 0 | 108.3 | ||||
| 229 | S | 34.6 | Very low | 39.3 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -111.5 | 134.4 | 167.8 | -132.1 | 0 | 0 | 0 | 0 | 109.4 | A227 | A227-S229 PolarHBondContact O-N 3.26Š| ||
| 230 | L | 41.2 | Very low | 39.1 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | -61.3 | 139 | -174.6 | -63 | 111.3 | 0 | 0 | 0 | 111.8 | ||||
| 231 | H | 41.9 | Very low | 39.1 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | trans | -114.6 | 103 | 153.5 | -154.8 | -103.1 | 0 | 0 | 0 | 108.7 | ||||
| 232 | S | 36.9 | Very low | 39.6 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 69% | 0.685 | 84% | 0.842 | S | S | * | * | trans | -78.3 | 141.9 | 174.5 | -168 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 233 | T | 42.7 | Very low | 40 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | -70.9 | 132 | 173.6 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 234 | Q | 46 | Very low | 40.1 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 94% | 0.935 | 85% | 0.848 | S | S | * | * | trans | -132.7 | 151.9 | 147.7 | -81.7 | -160.1 | -0.8 | 0 | 0 | 111 | ||||
| 235 | H | 44.1 | Very low | 40.3 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.866 | 85% | 0.847 | S | S | * | * | trans | -124.3 | 170.6 | -167.5 | -135 | -92 | 0 | 0 | 0 | 108.8 | ||||
| 236 | A | 45 | Very low | 40.6 | Very low | 89 Ų | 89 | 155.6 Ų | 155.6 | 74% | 0.736 | 86% | 0.862 | S | S | * | * | trans | 75.4 | 144.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 237 | L | 44.9 | Very low | 41.1 | Very low | 242 Ų | 242 | 156.1 Ų | 156.1 | 100% | 1.267 | 87% | 0.867 | S | S | * | * | cis | -136.1 | 0 | 14.5 | -136.1 | 148.2 | 0 | 0 | 0 | 111.2 |
Retrieved 237 of 237 residues in 143.1 ms
(Link to these results)