| 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 | 53.4 | Low | 78.4 | Confident | 231 Ų | 231 | 110.5 Ų | 110.5 | 100% | 1.138 | 60% | 0.603 | S | S | * | * | 0 | 73.8 | 0 | -67.9 | -159.3 | -71.2 | 0 | 0 | 109.9 | |||||
| 2 | V | 56.7 | Low | 79.7 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | trans | -116 | -9.7 | -174.9 | -155.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | G | 65.5 | Low | 80.9 | Confident | 37 Ų | 37 | 108.2 Ų | 108.2 | 38% | 0.381 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.6 | -51 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V5 W6 Y7 | G3-V5 PolarHBondContact O-N 3.28Å; G3-W6 PolarHBondContact O-N 3.03Å; G3-Y7 WeakPolarHBondContact O-CD2 3.27Å; G3-Y7 PolarHBondContact O-N 3.41Å |
| 4 | P | 74.4 | Confident | 81.8 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.4 | -28.2 | -163.6 | 24.5 | -31.7 | 0 | 0 | 0 | 114.4 | L8 | P4-L8 WeakPolarHBondContact O-CG 3.27Å; P4-L8 PolarHBondContact O-N 3.04Å |
| 5 | V | 79.3 | Confident | 82.6 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.7 | -38.9 | -179 | -177.3 | 0 | 0 | 0 | 0 | 111 | G3 Y7 L8 V9 | G3-V5 PolarHBondContact O-N 3.28Å; V5-Y7 VanDerWaalsContact C-N 3.35Å; V5-Y7 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 2.91Å; V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.41Å; V5-V9 VanDerWaalsContact O-N 3.08Å |
| 6 | W | 85.2 | Confident | 83.4 | Confident | 179 Ų | 179 | 102.2 Ų | 102.2 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.6 | -34.1 | 177.2 | -71.1 | 110.1 | 0 | 0 | 0 | 112.8 | G3 L8 V9 A10 | G3-W6 PolarHBondContact O-N 3.03Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.92Å; W6-V9 PolarHBondContact O-N 3.02Å; W6-A10 WeakPolarHBondContact O-CB 3.46Å; W6-A10 PolarHBondContact O-N 3.03Å |
| 7 | Y | 87.7 | Confident | 83.9 | Confident | 181 Ų | 181 | 103.4 Ų | 103.4 | 71% | 0.71 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.6 | -35.9 | 173.5 | -72.5 | -66.4 | 0 | 0 | 0 | 112.6 | G3 V5 A11 | G3-Y7 WeakPolarHBondContact O-CD2 3.27Å; G3-Y7 PolarHBondContact O-N 3.41Å; V5-Y7 VanDerWaalsContact C-N 3.35Å; V5-Y7 PolarHBondContact O-N 3.23Å; Y7-A11 VanDerWaalsContact O-CB 3.25Å; Y7-A11 WeakPolarHBondContact O-CB 3.41Å; Y7-A11 PolarHBondContact O-N 2.94Å |
| 8 | L | 88.3 | Confident | 84.3 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.2 | -39.8 | 175.8 | -68.6 | 174 | 0 | 0 | 0 | 112 | P4 V5 W6 A11 A12 | P4-L8 WeakPolarHBondContact O-CG 3.27Å; P4-L8 PolarHBondContact O-N 3.04Å; V5-L8 PolarHBondContact O-N 2.91Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.92Å; L8-A11 PolarHBondContact O-N 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 3.32Å |
| 9 | V | 90.9 | Very high | 84.7 | Confident | 69 Ų | 69 | 102.9 Ų | 102.9 | 42% | 0.418 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -45.3 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | V5 W6 A11 A12 L13 | V5-V9 WeakPolarHBondContact O-CG2 3.43Å; V5-V9 PolarHBondContact O-N 3.41Å; V5-V9 VanDerWaalsContact O-N 3.08Å; W6-V9 PolarHBondContact O-N 3.02Å; V9-A11 PolarHBondContact O-N 3.4Å; V9-A12 PolarHBondContact O-N 2.89Å; V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.28Å |
| 10 | A | 89.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 104.8 Ų | 104.8 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.5 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W6 L13 L14 | W6-A10 WeakPolarHBondContact O-CB 3.46Å; W6-A10 PolarHBondContact O-N 3.03Å; A10-L13 PolarHBondContact O-N 3.41Å; A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.22Å |
| 11 | A | 91.6 | Very high | 85 | Confident | 49 Ų | 49 | 103.2 Ų | 103.2 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y7 L8 V9 L14 V15 | Y7-A11 VanDerWaalsContact O-CB 3.25Å; Y7-A11 WeakPolarHBondContact O-CB 3.41Å; Y7-A11 PolarHBondContact O-N 2.94Å; L8-A11 PolarHBondContact O-N 3.25Å; V9-A11 PolarHBondContact O-N 3.4Å; A11-L14 PolarHBondContact O-N 3.4Å; A11-V15 VanDerWaalsContact O-CG2 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.47Å |
| 12 | A | 93.7 | Very high | 86.4 | Confident | 66 Ų | 66 | 96.1 Ų | 96.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L8 V9 G16 | L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 3.32Å; V9-A12 PolarHBondContact O-N 2.89Å; A12-G16 PolarHBondContact O-N 2.74Å |
| 13 | L | 94.6 | Very high | 87.6 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 175.8 | -69.6 | 174.3 | 0 | 0 | 0 | 112.1 | V9 A10 G16 F17 | V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.28Å; A10-L13 PolarHBondContact O-N 3.41Å; L13-G16 PolarHBondContact O-N 2.97Å; L13-F17 WeakPolarHBondContact O-CB 3.46Å; L13-F17 PolarHBondContact O-N 2.84Å |
| 14 | L | 94 | Very high | 87.9 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 179.4 | -151.8 | 166.7 | 0 | 0 | 0 | 111.1 | A10 A11 F17 I18 | A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.22Å; A11-L14 PolarHBondContact O-N 3.4Å; L14-F17 PolarHBondContact O-N 3.17Å; L14-I18 HydrophobicContact CD2-CD1 3.38Å; L14-I18 HydrophobicContact CD2-CG1 3.98Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.96Å |
| 15 | V | 93.6 | Very high | 87.5 | Confident | 85 Ų | 85 | 105.7 Ų | 105.7 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | A11 F17 I18 L19 | A11-V15 VanDerWaalsContact O-CG2 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.47Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 2.83Å; V15-I18 PolarHBondContact O-N 2.81Å; V15-L19 HydrophobicContact CG1-CD1 4.16Å; V15-L19 WeakPolarHBondContact O-CG 3.21Å; V15-L19 PolarHBondContact O-N 3.44Å |
| 16 | G | 94.9 | Very high | 86.5 | Confident | 40 Ų | 40 | 103.2 Ų | 103.2 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A12 L13 L19 F20 | A12-G16 PolarHBondContact O-N 2.74Å; L13-G16 PolarHBondContact O-N 2.97Å; G16-L19 PolarHBondContact O-N 3.21Å; G16-F20 WeakPolarHBondContact O-CB 3.46Å; G16-F20 PolarHBondContact O-N 3.28Å |
| 17 | F | 93.1 | Very high | 85.2 | Confident | 123 Ų | 123 | 103.1 Ų | 103.1 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.4 | -170.9 | -107.8 | 0 | 0 | 0 | 112.5 | L13 L14 V15 L19 F20 L21 | L13-F17 WeakPolarHBondContact O-CB 3.46Å; L13-F17 PolarHBondContact O-N 2.84Å; L14-F17 PolarHBondContact O-N 3.17Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 2.83Å; F17-L19 PolarHBondContact O-N 2.97Å; F17-F20 WeakPolarHBondContact O-CB 3.34Å; F17-F20 PolarHBondContact O-N 3.08Å; F17-L21 HydrophobicContact CD1-CD1 3.79Å; F17-L21 HydrophobicContact CD1-CG 4.35Å; F17-L21 HydrophobicContact CE1-CD1 3.4Å; F17-L21 HydrophobicContact CE1-CG 4.09Å; F17-L21 HydrophobicContact CZ-CD1 3.94Å; F17-L21 HydrophobicContact CZ-CD2 4.38Å; F17-L21 HydrophobicContact CZ-CG 4.25Å; F17-L21 WeakPolarHBondContact O-CG 2.96Å; F17-L21 PolarHBondContact O-N 2.63Å |
| 18 | I | 90.8 | Very high | 83.6 | Confident | 87 Ų | 87 | 97.4 Ų | 97.4 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.6 | -67.1 | 168.1 | 0 | 0 | 0 | 111 | L14 V15 F20 L21 T22 | L14-I18 HydrophobicContact CD2-CD1 3.38Å; L14-I18 HydrophobicContact CD2-CG1 3.98Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.96Å; V15-I18 PolarHBondContact O-N 2.81Å; I18-F20 VanDerWaalsContact C-N 3.31Å; I18-F20 PolarHBondContact O-N 3.41Å; I18-L21 PolarHBondContact O-N 2.89Å; I18-T22 HydrophobicContact CG2-CG2 4.41Å; I18-T22 WeakPolarHBondContact O-CB 3.33Å; I18-T22 WeakPolarHBondContact O-CG2 3.28Å; I18-T22 PolarHBondContact O-N 2.95Å; I18-T22 PolarHBondContact O-OG1 3.44Å |
| 19 | L | 90.8 | Very high | 81.9 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -35.7 | 175.5 | -72.3 | 174.8 | 0 | 0 | 0 | 112.1 | V15 G16 F17 T22 R23 | V15-L19 HydrophobicContact CG1-CD1 4.16Å; V15-L19 WeakPolarHBondContact O-CG 3.21Å; V15-L19 PolarHBondContact O-N 3.44Å; G16-L19 PolarHBondContact O-N 3.21Å; F17-L19 PolarHBondContact O-N 2.97Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 3.4Å |
| 20 | F | 89.1 | Confident | 80.1 | Confident | 141 Ų | 141 | 93.9 Ų | 93.9 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 175 | -179 | -101 | 0 | 0 | 0 | 112 | G16 F17 I18 R23 S24 | G16-F20 WeakPolarHBondContact O-CB 3.46Å; G16-F20 PolarHBondContact O-N 3.28Å; F17-F20 WeakPolarHBondContact O-CB 3.34Å; F17-F20 PolarHBondContact O-N 3.08Å; I18-F20 VanDerWaalsContact C-N 3.31Å; I18-F20 PolarHBondContact O-N 3.41Å; F20-R23 PolarHBondContact O-N 3.39Å; F20-S24 WeakPolarHBondContact O-CB 3.25Å; F20-S24 PolarHBondContact O-N 3.25Å; F20-S24 PolarHBondContact O-OG 2.96Å |
| 21 | L | 86.9 | Confident | 78.3 | Confident | 71 Ų | 71 | 94.1 Ų | 94.1 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 178.2 | -71.6 | 179.4 | 0 | 0 | 0 | 113.3 | F17 I18 S24 R25 | F17-L21 HydrophobicContact CD1-CD1 3.79Å; F17-L21 HydrophobicContact CD1-CG 4.35Å; F17-L21 HydrophobicContact CE1-CD1 3.4Å; F17-L21 HydrophobicContact CE1-CG 4.09Å; F17-L21 HydrophobicContact CZ-CD1 3.94Å; F17-L21 HydrophobicContact CZ-CD2 4.38Å; F17-L21 HydrophobicContact CZ-CG 4.25Å; F17-L21 WeakPolarHBondContact O-CG 2.96Å; F17-L21 PolarHBondContact O-N 2.63Å; I18-L21 PolarHBondContact O-N 2.89Å; L21-S24 WeakPolarHBondContact CA-OG 3.5Å; L21-S24 PolarHBondContact O-OG 3.21Å; L21-S24 VanDerWaalsContact O-OG 3.1Å; L21-R25 WeakPolarHBondContact O-CB 3.46Å; L21-R25 WeakPolarHBondContact O-CG 3.36Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-R25 VanDerWaalsContact O-N 3.13Å |
| 22 | T | 83.1 | Confident | 76.3 | Confident | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.5 | -37.6 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | I18 L19 G26 | I18-T22 HydrophobicContact CG2-CG2 4.41Å; I18-T22 WeakPolarHBondContact O-CB 3.33Å; I18-T22 WeakPolarHBondContact O-CG2 3.28Å; I18-T22 PolarHBondContact O-N 2.95Å; I18-T22 PolarHBondContact O-OG1 3.44Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-OG1 3.27Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; T22-G26 PolarHBondContact O-N 3.31Å; T22-G26 VanDerWaalsContact O-N 3.13Å |
| 23 | R | 81.9 | Confident | 74.2 | Confident | 180 Ų | 180 | 99.1 Ų | 99.1 | 68% | 0.679 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.2 | -33.5 | 175.9 | -166.7 | 176.4 | 176 | 101.7 | -1.8 | 113.1 | L19 F20 R27 | L19-R23 WeakPolarHBondContact O-CB 3.46Å; L19-R23 PolarHBondContact O-N 3.4Å; F20-R23 PolarHBondContact O-N 3.39Å; R23-R27 PolarHBondContact O-N 3.28Å |
| 24 | S | 72.4 | Confident | 72.1 | Confident | 51 Ų | 51 | 100.4 Ų | 100.4 | 36% | 0.357 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.2 | -37.8 | 176 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | F20 L21 G26 R27 A28 | F20-S24 WeakPolarHBondContact O-CB 3.25Å; F20-S24 PolarHBondContact O-N 3.25Å; F20-S24 PolarHBondContact O-OG 2.96Å; L21-S24 WeakPolarHBondContact CA-OG 3.5Å; L21-S24 PolarHBondContact O-OG 3.21Å; L21-S24 VanDerWaalsContact O-OG 3.1Å; S24-G26 VanDerWaalsContact C-N 3.35Å; S24-G26 PolarHBondContact O-N 3.11Å; S24-R27 PolarHBondContact O-N 2.88Å; S24-A28 PolarHBondContact O-N 3.28Å; S24-A28 VanDerWaalsContact O-N 3.16Å |
| 25 | R | 65.3 | Low | 70 | Confident | 196 Ų | 196 | 98.9 Ų | 98.9 | 74% | 0.74 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.5 | -35.9 | 171.7 | -80.6 | -179.8 | 162.5 | 155.4 | -3.1 | 113 | L21 R27 A28 A29 | L21-R25 WeakPolarHBondContact O-CB 3.46Å; L21-R25 WeakPolarHBondContact O-CG 3.36Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-R25 VanDerWaalsContact O-N 3.13Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 3.29Å; R25-A28 PolarHBondContact O-N 3.21Å; R25-A29 PolarHBondContact O-N 2.82Å; R25-A29 VanDerWaalsContact O-N 3.15Å |
| 26 | G | 58.3 | Low | 67.7 | Low | 47 Ų | 47 | 101.2 Ų | 101.2 | 49% | 0.485 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | T22 S24 S30 | T22-G26 PolarHBondContact O-N 3.31Å; T22-G26 VanDerWaalsContact O-N 3.13Å; S24-G26 VanDerWaalsContact C-N 3.35Å; S24-G26 PolarHBondContact O-N 3.11Å; G26-S30 PolarHBondContact O-OG 3.16Å |
| 27 | R | 58.1 | Low | 65.3 | Low | 177 Ų | 177 | 106.1 Ų | 106.1 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -77.4 | -30.3 | 175.1 | -81.7 | -178.9 | 168.3 | 161.3 | -6.4 | 113.6 | R23 S24 R25 S30 A31 | R23-R27 PolarHBondContact O-N 3.28Å; S24-R27 PolarHBondContact O-N 2.88Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 3.29Å; R27-S30 PolarHBondContact O-OG 3.42Å; R27-A31 PolarHBondContact O-N 2.96Å |
| 28 | A | 54.4 | Low | 63.1 | Low | 62 Ų | 62 | 106.7 Ų | 106.7 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.3 | -33.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S24 R25 S32 | S24-A28 PolarHBondContact O-N 3.28Å; S24-A28 VanDerWaalsContact O-N 3.16Å; R25-A28 PolarHBondContact O-N 3.21Å; A28-S32 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-OG 3.15Å |
| 29 | A | 53.1 | Low | 60.9 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R25 S32 | R25-A29 PolarHBondContact O-N 2.82Å; R25-A29 VanDerWaalsContact O-N 3.15Å; A29-S32 PolarHBondContact O-OG 2.87Å |
| 30 | S | 51.7 | Low | 58.5 | Low | 62 Ų | 62 | 113.3 Ų | 113.3 | 43% | 0.434 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.8 | -33.1 | 175.4 | 50.3 | 0 | 0 | 0 | 0 | 113 | G26 R27 Q33 E34 | G26-S30 PolarHBondContact O-OG 3.16Å; R27-S30 PolarHBondContact O-OG 3.42Å; S30-Q33 PolarHBondContact O-N 2.92Å; S30-E34 PolarHBondContact O-N 2.88Å |
| 31 | A | 52.3 | Low | 56.1 | Low | 61 Ų | 61 | 114 Ų | 114 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.8 | -27.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R27 | R27-A31 PolarHBondContact O-N 2.96Å |
| 32 | S | 50.5 | Low | 53.8 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -85 | -17.6 | 178.7 | 26.5 | 0 | 0 | 0 | 0 | 113.1 | A28 A29 S35 | A28-S32 PolarHBondContact O-N 3.3Å; A28-S32 PolarHBondContact O-OG 3.15Å; A29-S32 PolarHBondContact O-OG 2.87Å; S32-S35 PolarHBondContact O-OG 2.8Å; S32-S35 VanDerWaalsContact O-OG 3.11Å |
| 33 | Q | 49.8 | Very low | 51.6 | Low | 153 Ų | 153 | 114.7 Ų | 114.7 | 72% | 0.715 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85.6 | -31.4 | 175.4 | -161.2 | 172.2 | 6 | 0 | 0 | 112.5 | S30 | S30-Q33 PolarHBondContact O-N 2.92Å |
| 34 | E | 49.8 | Very low | 49.2 | Very low | 152 Ų | 152 | 111 Ų | 111 | 71% | 0.71 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.4 | -32.9 | 174.6 | -78.5 | -174.9 | 152.8 | 0 | 0 | 113 | S30 N38 | S30-E34 PolarHBondContact O-N 2.88Å; E34-N38 PolarHBondContact O-N 3.38Å |
| 35 | S | 49.3 | Very low | 47.2 | Very low | 72 Ų | 72 | 112.3 Ų | 112.3 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69.5 | -32.3 | 178.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | S32 | S32-S35 PolarHBondContact O-OG 2.8Å; S32-S35 VanDerWaalsContact O-OG 3.11Å |
| 36 | L | 46.2 | Very low | 45.6 | Very low | 133 Ų | 133 | 114.8 Ų | 114.8 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.7 | -30.7 | 179.1 | -71.6 | 168.6 | 0 | 0 | 0 | 112.5 | ||
| 37 | H | 44.5 | Very low | 44.2 | Very low | 144 Ų | 144 | 119.2 Ų | 119.2 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.9 | -22.9 | -179.3 | -142.9 | 50.5 | 0 | 0 | 0 | 113.2 | ||
| 38 | N | 45.9 | Very low | 42.9 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -15.5 | -178.9 | -145.4 | 25.7 | 0 | 0 | 0 | 113.3 | E34 | E34-N38 PolarHBondContact O-N 3.38Š|
| 39 | E | 46.2 | Very low | 42.1 | Very low | 172 Ų | 172 | 120 Ų | 120 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -18.6 | -179.6 | -155.5 | 163.9 | 107.8 | 0 | 0 | 113 | ||
| 40 | E | 39.5 | Very low | 41.5 | Very low | 164 Ų | 164 | 123 Ų | 123 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -86.3 | -18.9 | -179.8 | -159.5 | 176.6 | 154.5 | 0 | 0 | 113.6 | ||
| 41 | L | 39.8 | Very low | 40.5 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -6.7 | -175.8 | -136.3 | 84.4 | 0 | 0 | 0 | 114.8 | ||
| 42 | A | 38 | Very low | 40.4 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 8.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 43 | G | 36.2 | Very low | 39.5 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -133 | 50.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 44 | A | 32.7 | Very low | 39 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -155.3 | 122 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 45 | G | 30 | Very low | 38.6 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -86.1 | 156.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 46 | R | 30.9 | Very low | 37.7 | Very low | 247 Ų | 247 | 141.5 Ų | 141.5 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | 35.2 | 129 | 149.5 | -73.3 | -178.2 | 171.3 | 175.6 | -1.8 | 119.4 | ||||
| 47 | V | 29.8 | Very low | 37.2 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | 177.1 | 133.5 | 110.2 | 154.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 48 | A | 30.8 | Very low | 37.2 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 48.2 | 125.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 49 | Q | 36.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -87.6 | 158.1 | 153 | -100.5 | -142.5 | 51.9 | 0 | 0 | 110.7 | ||||
| 50 | P | 41.1 | Very low | 35.9 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -147.4 | 131.1 | 91 | 33.8 | -14 | 0 | 0 | 0 | 116.7 | |||||
| 51 | R | 29.9 | Very low | 35.6 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | 50.8 | 168.8 | 111 | -125.4 | -160 | 178.8 | 156.2 | 2.2 | 121.2 | |||||
| 52 | P | 50.6 | Low | 35.4 | Very low | 94 Ų | 94 | 140 Ų | 140 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | -125.9 | 167.7 | -81.1 | 37.3 | -21.4 | 0 | 0 | 0 | 113.2 | |||||
| 53 | L | 32.3 | Very low | 35.8 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -150.6 | 105.5 | 155.3 | -77.7 | 177.3 | 0 | 0 | 0 | 111.7 | ||||
| 54 | E | 38.3 | Very low | 36.2 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -100.4 | 155.5 | 141.7 | -78.3 | -119 | 144.6 | 0 | 0 | 107.1 | ||||
| 55 | P | 42.5 | Very low | 37.1 | Very low | 112 Ų | 112 | 155 Ų | 155 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | -144.7 | 138 | 122.4 | 27.1 | -7.2 | 0 | 0 | 0 | 116.3 | |||||
| 56 | E | 30.5 | Very low | 37.9 | Very low | 179 Ų | 179 | 163 Ų | 163 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | 83.2 | 121.9 | 127.3 | -62.6 | -86.2 | 132.2 | 0 | 0 | 121.5 | |||||
| 57 | E | 35.5 | Very low | 38.9 | Very low | 177 Ų | 177 | 162.4 Ų | 162.4 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -72.7 | -161.1 | 162.7 | -49.9 | -160.9 | 134.7 | 0 | 0 | 112.2 | ||||
| 58 | P | 45.3 | Very low | 40 | Very low | 88 Ų | 88 | 164.8 Ų | 164.8 | 57% | 0.571 | 81% | 0.807 | S | S | * | * | cis | -134.5 | 164.5 | -18.1 | 32.7 | -13.1 | 0 | 0 | 0 | 114.4 | ||||
| 59 | R | 29.7 | Very low | 41.3 | Very low | 234 Ų | 234 | 166.1 Ų | 166.1 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | 167.8 | 128.6 | 127.2 | -92.6 | 177.3 | 178.3 | 100.1 | -1.6 | 114.1 | |||||
| 60 | A | 34 | Very low | 42.4 | Very low | 93 Ų | 93 | 165.1 Ų | 165.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 2.4 | 129.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 61 | E | 34.3 | Very low | 43.5 | Very low | 202 Ų | 202 | 161.8 Ų | 161.8 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | -175.6 | 143.1 | 111.6 | -100.4 | 173.9 | -175.9 | 0 | 0 | 112.4 | |||||
| 62 | G | 33.8 | Very low | 45.2 | Very low | 78 Ų | 78 | 155.3 Ų | 155.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 107.5 | 81.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 63 | R | 46.4 | Very low | 46 | Very low | 230 Ų | 230 | 158.3 Ų | 158.3 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 154.2 | 153.8 | -75.3 | -171.9 | -170.2 | -156.8 | 4 | 109.5 | ||||
| 64 | P | 45.8 | Very low | 47.7 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | -132.3 | 149.8 | 109.1 | 26.4 | -10.3 | 0 | 0 | 0 | 114.1 | |||||
| 65 | R | 50.5 | Low | 49.3 | Very low | 226 Ų | 226 | 151.5 Ų | 151.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -56.8 | 130.5 | -176.8 | -67.7 | 163.7 | 167.5 | 138 | -3.4 | 111.1 | R67 | R65-R67 PolarHBondContact O-N 3.02Š| ||
| 66 | R | 47.4 | Very low | 50.7 | Low | 247 Ų | 247 | 148.9 Ų | 148.9 | 93% | 0.932 | 73% | 0.729 | S | S | * | * | trans | -54.6 | 136.3 | 169 | -80.6 | -168.6 | 176.9 | -161 | 0.9 | 110.2 | R68 | R66-R68 PolarHBondContact O-N 3.47Š| ||
| 67 | R | 51.4 | Low | 52.7 | Low | 235 Ų | 235 | 145.9 Ų | 145.9 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | -42.7 | 127.5 | 177.7 | -126.8 | 170.9 | 175.2 | -140 | 2.3 | 111.2 | R65 D69 | R65-R67 PolarHBondContact O-N 3.02Å; R67-D69 PolarHBondContact O-N 2.95Å | ||
| 68 | R | 53.9 | Low | 54.4 | Low | 190 Ų | 190 | 145.6 Ų | 145.6 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | -69.4 | 113.4 | 175.7 | -172.9 | 169.6 | 177.9 | 158.6 | -0.1 | 108.6 | R66 L70 | R66-R68 PolarHBondContact O-N 3.47Å; R68-L70 PolarHBondContact O-N 3.46Å; R68-L70 VanDerWaalsContact O-N 3.09Å | ||
| 69 | D | 57.1 | Low | 55.7 | Low | 120 Ų | 120 | 149.6 Ų | 149.6 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | trans | -63.6 | 108 | 179.8 | -63 | -51.8 | 0 | 0 | 0 | 111 | R67 G71 S72 | R67-D69 PolarHBondContact O-N 2.95Å; D69-G71 PolarHBondContact O-N 3.17Å; D69-S72 PolarHBondContact O-N 2.84Å | ||
| 70 | L | 60.3 | Low | 57.7 | Low | 142 Ų | 142 | 141.2 Ų | 141.2 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -60.8 | -27.4 | 174 | -80.4 | 154.3 | 0 | 0 | 0 | 112 | R68 R73 L74 | R68-L70 PolarHBondContact O-N 3.46Å; R68-L70 VanDerWaalsContact O-N 3.09Å; L70-R73 PolarHBondContact O-N 3.16Å; L70-L74 PolarHBondContact O-N 2.9Å |
| 71 | G | 63.3 | Low | 59.3 | Low | 53 Ų | 53 | 142.4 Ų | 142.4 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -65.5 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D69 R73 L74 Q75 | D69-G71 PolarHBondContact O-N 3.17Å; G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.46Å; G71-L74 PolarHBondContact O-N 3.48Å; G71-Q75 PolarHBondContact O-N 3.44Å |
| 72 | S | 67.4 | Low | 60.7 | Low | 77 Ų | 77 | 142.2 Ų | 142.2 | 54% | 0.538 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -65.6 | -29.7 | 177.6 | -75.9 | 0 | 0 | 0 | 0 | 112.7 | D69 A76 | D69-S72 PolarHBondContact O-N 2.84Å; S72-A76 VanDerWaalsContact O-CB 3.31Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 2.88Å; S72-A76 VanDerWaalsContact O-N 3.07Å |
| 73 | R | 65.5 | Low | 61.9 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 59% | 0.592 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75 | -38.4 | 179 | -151.8 | 175.3 | -178.7 | 167.6 | -1.7 | 112.2 | L70 G71 Q77 | L70-R73 PolarHBondContact O-N 3.16Å; G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.46Å; R73-Q77 WeakPolarHBondContact O-CB 3.27Å; R73-Q77 PolarHBondContact O-N 2.82Å |
| 74 | L | 68.1 | Low | 62.4 | Low | 98 Ų | 98 | 135.8 Ų | 135.8 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.4 | -37.6 | 175.4 | -107.4 | 146.7 | 0 | 0 | 0 | 112.3 | L70 G71 Q77 R78 | L70-L74 PolarHBondContact O-N 2.9Å; G71-L74 PolarHBondContact O-N 3.48Å; L74-Q77 PolarHBondContact O-N 2.85Å; L74-R78 PolarHBondContact O-N 3.34Å |
| 75 | Q | 72.1 | Confident | 62.7 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 54% | 0.542 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.3 | -37.2 | 176.7 | -162.3 | 173.1 | 42.4 | 0 | 0 | 112.1 | G71 R79 | G71-Q75 PolarHBondContact O-N 3.44Å; Q75-R79 WeakPolarHBondContact O-CG 3.36Å; Q75-R79 PolarHBondContact O-N 3.02Å |
| 76 | A | 72.4 | Confident | 62.5 | Low | 57 Ų | 57 | 128.1 Ų | 128.1 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S72 R79 A80 | S72-A76 VanDerWaalsContact O-CB 3.31Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 2.88Å; S72-A76 VanDerWaalsContact O-N 3.07Å; A76-R79 PolarHBondContact O-N 2.92Å; A76-A80 PolarHBondContact O-N 3.42Å |
| 77 | Q | 73.4 | Confident | 62.5 | Low | 116 Ų | 116 | 123.2 Ų | 123.2 | 54% | 0.542 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.9 | -38.5 | 177.1 | -167.3 | 175.1 | 13 | 0 | 0 | 112.5 | R73 L74 A80 Q81 | R73-Q77 WeakPolarHBondContact O-CB 3.27Å; R73-Q77 PolarHBondContact O-N 2.82Å; L74-Q77 PolarHBondContact O-N 2.85Å; Q77-A80 PolarHBondContact O-N 2.95Å; Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.31Å |
| 78 | R | 71.5 | Confident | 62.3 | Low | 170 Ų | 170 | 114.5 Ų | 114.5 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -34.7 | 173.5 | -77.2 | -173.1 | -169.6 | -157.6 | 2.3 | 113.1 | L74 R82 | L74-R78 PolarHBondContact O-N 3.34Å; R78-R82 WeakPolarHBondContact O-CG 3.3Å; R78-R82 PolarHBondContact O-N 2.58Å; R78-R82 VanDerWaalsContact O-N 3.1Å |
| 79 | R | 72.4 | Confident | 61.9 | Low | 173 Ų | 173 | 110.4 Ų | 110.4 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -42.5 | 173.7 | -79.1 | -178.3 | 175.4 | 163.5 | -0.7 | 111.5 | Q75 A76 Q81 R82 V83 | Q75-R79 WeakPolarHBondContact O-CG 3.36Å; Q75-R79 PolarHBondContact O-N 3.02Å; A76-R79 PolarHBondContact O-N 2.92Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; R79-Q81 PolarHBondContact O-N 2.87Å; R79-R82 PolarHBondContact O-N 2.96Å; R79-V83 WeakPolarHBondContact O-CG2 3.36Å; R79-V83 PolarHBondContact O-N 3.16Å |
| 80 | A | 71 | Confident | 61.2 | Low | 58 Ų | 58 | 113.1 Ų | 113.1 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.5 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A76 Q77 R82 V83 T84 | A76-A80 PolarHBondContact O-N 3.42Å; Q77-A80 PolarHBondContact O-N 2.95Å; A80-R82 VanDerWaalsContact C-N 3.34Å; A80-R82 PolarHBondContact O-N 2.95Å; A80-V83 PolarHBondContact O-N 3.49Å; A80-T84 WeakPolarHBondContact O-CG2 3.37Å; A80-T84 PolarHBondContact O-N 3.4Å; A80-T84 VanDerWaalsContact O-N 3.08Å; A80-T84 PolarHBondContact O-OG1 3.45Å |
| 81 | Q | 68.2 | Low | 60.4 | Low | 118 Ų | 118 | 113.6 Ų | 113.6 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.9 | -29.8 | 176 | -75.2 | -179.3 | 4 | 0 | 0 | 113.9 | Q77 R79 T84 L85 | Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.31Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; R79-Q81 PolarHBondContact O-N 2.87Å; Q81-T84 WeakPolarHBondContact CA-OG1 3.42Å; Q81-T84 PolarHBondContact O-OG1 2.96Å; Q81-L85 WeakPolarHBondContact O-CB 3.01Å; Q81-L85 PolarHBondContact O-N 3.5Å |
| 82 | R | 62 | Low | 59.5 | Low | 198 Ų | 198 | 118.1 Ų | 118.1 | 75% | 0.747 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.4 | -34.6 | 174.8 | -80.5 | -177.2 | 170.4 | -179.1 | -4.1 | 112.6 | R78 R79 A80 L85 A86 | R78-R82 WeakPolarHBondContact O-CG 3.3Å; R78-R82 PolarHBondContact O-N 2.58Å; R78-R82 VanDerWaalsContact O-N 3.1Å; R79-R82 PolarHBondContact O-N 2.96Å; A80-R82 VanDerWaalsContact C-N 3.34Å; A80-R82 PolarHBondContact O-N 2.95Å; R82-L85 PolarHBondContact O-N 3.32Å; R82-A86 WeakPolarHBondContact O-CB 3.41Å; R82-A86 PolarHBondContact O-N 2.91Å; R82-A86 VanDerWaalsContact O-N 3.08Å |
| 83 | V | 60.7 | Low | 58.2 | Low | 79 Ų | 79 | 121.9 Ų | 121.9 | 48% | 0.479 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70 | -40.5 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | R79 A80 L85 A86 E87 | R79-V83 WeakPolarHBondContact O-CG2 3.36Å; R79-V83 PolarHBondContact O-N 3.16Å; A80-V83 PolarHBondContact O-N 3.49Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 3.03Å; V83-A86 PolarHBondContact O-N 3.45Å; V83-E87 PolarHBondContact O-N 3.19Å; V83-E87 VanDerWaalsContact O-N 3.09Å |
| 84 | T | 56 | Low | 57 | Low | 94 Ų | 94 | 123.9 Ų | 123.9 | 58% | 0.577 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.3 | -23.2 | 175.4 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | A80 Q81 | A80-T84 WeakPolarHBondContact O-CG2 3.37Å; A80-T84 PolarHBondContact O-N 3.4Å; A80-T84 VanDerWaalsContact O-N 3.08Å; A80-T84 PolarHBondContact O-OG1 3.45Å; Q81-T84 WeakPolarHBondContact CA-OG1 3.42Å; Q81-T84 PolarHBondContact O-OG1 2.96Å |
| 85 | L | 51.3 | Low | 55.5 | Low | 129 Ų | 129 | 123.5 Ų | 123.5 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.1 | -31.8 | 175.9 | -168.6 | 68.8 | 0 | 0 | 0 | 111.6 | Q81 R82 V83 | Q81-L85 WeakPolarHBondContact O-CB 3.01Å; Q81-L85 PolarHBondContact O-N 3.5Å; R82-L85 PolarHBondContact O-N 3.32Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 3.03Å |
| 86 | A | 48.1 | Very low | 53.8 | Low | 64 Ų | 64 | 123.9 Ų | 123.9 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76 | -29.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R82 V83 A88 | R82-A86 WeakPolarHBondContact O-CB 3.41Å; R82-A86 PolarHBondContact O-N 2.91Å; R82-A86 VanDerWaalsContact O-N 3.08Å; V83-A86 PolarHBondContact O-N 3.45Å; A86-A88 VanDerWaalsContact C-N 3.33Å |
| 87 | E | 47.1 | Very low | 52.2 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -80.8 | -9.7 | 176 | -69.8 | 177.3 | 173 | 0 | 0 | 113.7 | V83 | V83-E87 PolarHBondContact O-N 3.19Å; V83-E87 VanDerWaalsContact O-N 3.09Å |
| 88 | A | 46.7 | Very low | 50.4 | Low | 53 Ų | 53 | 131.5 Ų | 131.5 | 44% | 0.438 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -90.4 | -17.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A86 | A86-A88 VanDerWaalsContact C-N 3.33Š|
| 89 | D | 44.9 | Very low | 48.6 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.8 | -173 | -146.7 | 11.4 | 0 | 0 | 0 | 113.3 | ||
| 90 | E | 43.6 | Very low | 46.8 | Very low | 176 Ų | 176 | 129 Ų | 129 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.3 | 176 | -68 | -169.5 | 166.6 | 0 | 0 | 113.9 | ||
| 91 | N | 43.8 | Very low | 45.2 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -115.3 | 3.5 | -176.2 | -105.4 | -17.2 | 0 | 0 | 0 | 115.4 | ||
| 92 | E | 43.7 | Very low | 43.7 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -111.5 | 3.8 | -176.9 | -68.6 | -164.4 | 168.3 | 0 | 0 | 114.8 | ||
| 93 | Q | 40.8 | Very low | 42.1 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 4.3 | -176.8 | -77.8 | 158.4 | 29.2 | 0 | 0 | 115.2 | ||
| 94 | E | 39.8 | Very low | 40.8 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 16.2 | 179.7 | -141.7 | 172.9 | -166.6 | 0 | 0 | 114.7 | ||
| 95 | A | 36.5 | Very low | 39.9 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -123.9 | 19 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 96 | V | 37 | Very low | 39.2 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -106.6 | 8.1 | -172.1 | -179 | 0 | 0 | 0 | 0 | 113.7 | ||
| 97 | I | 38.6 | Very low | 38.5 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -133.2 | 119.6 | 175.1 | -50.1 | 177 | 0 | 0 | 0 | 108.2 | ||
| 98 | L | 35.5 | Very low | 37.6 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 95.1 | 53.4 | -175.1 | -55.4 | 160.8 | 0 | 0 | 0 | 116.3 | ||
| 99 | A | 32.8 | Very low | 36.9 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -152.7 | 51.5 | 149 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 100 | Q | 34 | Very low | 36.4 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -118.7 | 66.6 | 168.5 | -169.4 | 173.9 | -12.1 | 0 | 0 | 107.6 | ||||
| 101 | E | 37.4 | Very low | 36.1 | Very low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -170.5 | 128.5 | 155.1 | -106.6 | 164.1 | -168.2 | 0 | 0 | 105.3 | ||
| 102 | E | 37.3 | Very low | 35.9 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 86.1 | 77.1 | 179.1 | -45.2 | -146.1 | 162.2 | 0 | 0 | 116.7 | ||||
| 103 | E | 29.6 | Very low | 35.9 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -127.8 | 92 | 140.4 | -147.5 | 178.5 | -171.9 | 0 | 0 | 109.7 | ||||
| 104 | D | 32.3 | Very low | 36 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 59% | 0.588 | 81% | 0.813 | S | S | * | * | 74.4 | 62.1 | 123.4 | -148.6 | 13.3 | 0 | 0 | 0 | 117.9 | E106 | D104-E106 PolarHBondContact O-N 3.17Å; D104-E106 VanDerWaalsContact O-N 3.13Å; D104-E106 WeakPolarHBondContact OD1-CA 3.44Å; D104-E106 PolarHBondContact OD1-N 2.94Å; D104-E106 VanDerWaalsContact OD1-N 3.09Å | |||
| 105 | V | 38 | Very low | 36.5 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -72.7 | 62.9 | 141.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 106 | E | 36.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | trans | -165.8 | 53.3 | 165.5 | -121 | 175.6 | -165.1 | 0 | 0 | 115.5 | D104 S108 | D104-E106 PolarHBondContact O-N 3.17Å; D104-E106 VanDerWaalsContact O-N 3.13Å; D104-E106 WeakPolarHBondContact OD1-CA 3.44Å; D104-E106 PolarHBondContact OD1-N 2.94Å; D104-E106 VanDerWaalsContact OD1-N 3.09Å; E106-S108 PolarHBondContact O-N 2.94Å; E106-S108 PolarHBondContact O-OG 3.4Å | ||
| 107 | K | 33.3 | Very low | 38.5 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -82.9 | 63.7 | 152.2 | -139.5 | 168 | -160.9 | 146.4 | 0 | 112.7 | ||||
| 108 | S | 28.3 | Very low | 39.9 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | 25.6 | 122.6 | 125 | 31 | 0 | 0 | 0 | 0 | 118 | E106 | E106-S108 PolarHBondContact O-N 2.94Å; E106-S108 PolarHBondContact O-OG 3.4Å | |||
| 109 | A | 32.1 | Very low | 41.7 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | trans | 85.2 | 73.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | T111 | A109-T111 HydrophobicContact CB-CG2 4.05Å; A109-T111 PolarHBondContact O-N 3.06Å | ||
| 110 | E | 34 | Very low | 43.7 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | -59.4 | 83.2 | 138.8 | -77.5 | -170.1 | 158.5 | 0 | 0 | 108.2 | H112 | E110-H112 PolarHBondContact O-N 3.07Š| ||
| 111 | T | 35.9 | Very low | 45.6 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | -68.4 | 112.2 | 173.1 | 33 | 0 | 0 | 0 | 0 | 108 | A109 L113 | A109-T111 HydrophobicContact CB-CG2 4.05Å; A109-T111 PolarHBondContact O-N 3.06Å; T111-L113 PolarHBondContact O-N 2.74Å | ||
| 112 | H | 40.3 | Very low | 47.5 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | -45.3 | 105.5 | 151 | -74.6 | -87.4 | 0 | 0 | 0 | 109.7 | E110 | E110-H112 PolarHBondContact O-N 3.07Š| ||
| 113 | L | 42.8 | Very low | 49.4 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | trans | -142.7 | 66.1 | 153.7 | -68.9 | -179.8 | 0 | 0 | 0 | 108.8 | T111 G115 | T111-L113 PolarHBondContact O-N 2.74Å; L113-G115 PolarHBondContact O-N 3.15Å | ||
| 114 | S | 43.3 | Very low | 51.9 | Low | 139 Ų | 139 | 133.6 Ų | 133.6 | 97% | 0.972 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 77 | 153.2 | 167.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 115 | G | 50.2 | Low | 54.2 | Low | 48 Ų | 48 | 132.9 Ų | 132.9 | 50% | 0.495 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -138.6 | 126.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | L113 I117 | L113-G115 PolarHBondContact O-N 3.15Å; G115-I117 WeakPolarHBondContact O-CG1 3.33Å; G115-I117 PolarHBondContact O-N 3.43Å |
| 116 | K | 59.5 | Low | 56.3 | Low | 220 Ų | 220 | 131.3 Ų | 131.3 | 96% | 0.957 | 69% | 0.687 | S | S | * | * | trans | -36.2 | 101.6 | 179.9 | -103.9 | 153.2 | 175.4 | 169.6 | 0 | 111.2 | G118 | K116-G118 PolarHBondContact O-N 2.93Å; K116-G118 VanDerWaalsContact O-N 3.14Å | ||
| 117 | I | 56.6 | Low | 58.7 | Low | 84 Ų | 84 | 130.3 Ų | 130.3 | 43% | 0.431 | 68% | 0.682 | S | S | . | * | trans | -69.4 | 113.5 | -179.5 | -59.9 | 177.3 | 0 | 0 | 0 | 106.1 | G115 A119 K121 L122 | G115-I117 WeakPolarHBondContact O-CG1 3.33Å; G115-I117 PolarHBondContact O-N 3.43Å; I117-A119 PolarHBondContact O-N 3.26Å; I117-K121 HydrophobicContact CG2-CB 3.45Å; I117-K121 VanDerWaalsContact CG2-CB 3.45Å; I117-K121 HydrophobicContact CG2-CD 4.47Å; I117-L122 HydrophobicContact CB-CD2 4.29Å; I117-L122 HydrophobicContact CB-CG 4.19Å; I117-L122 HydrophobicContact CD1-CD2 4.29Å; I117-L122 HydrophobicContact CG2-CD2 4.03Å; I117-L122 HydrophobicContact CG2-CG 3.78Å | ||
| 118 | G | 68.1 | Low | 61.2 | Low | 47 Ų | 47 | 128.4 Ų | 128.4 | 49% | 0.485 | 67% | 0.674 | S | S | . | * | trans | -56.9 | 140.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K116 K120 K121 | K116-G118 PolarHBondContact O-N 2.93Å; K116-G118 VanDerWaalsContact O-N 3.14Å; G118-K120 PolarHBondContact O-N 2.95Å; G118-K121 PolarHBondContact O-N 2.82Å | ||
| 119 | A | 73.1 | Confident | 63.9 | Low | 84 Ų | 84 | 130.6 Ų | 130.6 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -46 | -28.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I117 R123 | I117-A119 PolarHBondContact O-N 3.26Å; A119-R123 PolarHBondContact O-N 2.93Å |
| 120 | K | 74.6 | Confident | 66.4 | Low | 192 Ų | 192 | 129.4 Ų | 129.4 | 84% | 0.835 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69 | -29.5 | 177.4 | -65.6 | -176.9 | 178.4 | -179.6 | 0 | 114.4 | G118 K124 | G118-K120 PolarHBondContact O-N 2.95Å; K120-K124 PolarHBondContact O-N 3Å |
| 121 | K | 74.9 | Confident | 68.9 | Low | 156 Ų | 156 | 127.3 Ų | 127.3 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.3 | -34.7 | -179.5 | -75.3 | -175.9 | 179.5 | -177.3 | 0 | 112.3 | I117 G118 K124 L125 | I117-K121 HydrophobicContact CG2-CB 3.45Å; I117-K121 VanDerWaalsContact CG2-CB 3.45Å; I117-K121 HydrophobicContact CG2-CD 4.47Å; G118-K121 PolarHBondContact O-N 2.82Å; K121-K124 PolarHBondContact O-N 3.38Å; K121-L125 WeakPolarHBondContact O-CG 3.48Å; K121-L125 PolarHBondContact O-N 3.38Å; K121-L125 VanDerWaalsContact O-N 3.09Å |
| 122 | L | 75.7 | Confident | 71.4 | Confident | 78 Ų | 78 | 129.2 Ų | 129.2 | 41% | 0.408 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61.7 | -48.4 | 172.5 | -70.4 | 172.7 | 0 | 0 | 0 | 111 | I117 K124 L125 E126 | I117-L122 HydrophobicContact CB-CD2 4.29Å; I117-L122 HydrophobicContact CB-CG 4.19Å; I117-L122 HydrophobicContact CD1-CD2 4.29Å; I117-L122 HydrophobicContact CG2-CD2 4.03Å; I117-L122 HydrophobicContact CG2-CG 3.78Å; L122-K124 VanDerWaalsContact C-N 3.25Å; L122-K124 PolarHBondContact O-N 3.46Å; L122-L125 PolarHBondContact O-N 3.2Å; L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.97Å |
| 123 | R | 78.5 | Confident | 73.8 | Confident | 187 Ų | 187 | 123 Ų | 123 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.1 | -35 | 176.2 | -169.4 | 176.7 | 176.5 | -178.4 | -0.4 | 113.2 | A119 E127 | A119-R123 PolarHBondContact O-N 2.93Å; R123-E127 VanDerWaalsContact O-CB 3.24Å; R123-E127 WeakPolarHBondContact O-CB 3.23Å; R123-E127 PolarHBondContact O-N 2.91Å |
| 124 | K | 82.3 | Confident | 75.9 | Confident | 155 Ų | 155 | 122.7 Ų | 122.7 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.7 | -32.3 | 177.1 | -170.6 | 173.4 | -177.2 | 177.1 | 0 | 112.8 | K120 K121 L122 K128 | K120-K124 PolarHBondContact O-N 3Å; K121-K124 PolarHBondContact O-N 3.38Å; L122-K124 VanDerWaalsContact C-N 3.25Å; L122-K124 PolarHBondContact O-N 3.46Å; K124-K128 WeakPolarHBondContact O-CB 3.34Å; K124-K128 PolarHBondContact O-N 3.35Å |
| 125 | L | 79.8 | Confident | 77.9 | Confident | 95 Ų | 95 | 122.5 Ų | 122.5 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.2 | -43.4 | 174 | -71.8 | 175 | 0 | 0 | 0 | 110.8 | K121 L122 K128 Q129 | K121-L125 WeakPolarHBondContact O-CG 3.48Å; K121-L125 PolarHBondContact O-N 3.38Å; K121-L125 VanDerWaalsContact O-N 3.09Å; L122-L125 PolarHBondContact O-N 3.2Å; L125-K128 PolarHBondContact O-N 3.22Å; L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 WeakPolarHBondContact O-CG 3.49Å; L125-Q129 PolarHBondContact O-N 3.48Å |
| 126 | E | 82.8 | Confident | 79.8 | Confident | 118 Ų | 118 | 126.2 Ų | 126.2 | 55% | 0.551 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.5 | -44.7 | 173 | -71.6 | 170.3 | -175.7 | 0 | 0 | 111.3 | L122 K128 Q129 A130 | L122-E126 WeakPolarHBondContact O-CG 3.38Å; L122-E126 PolarHBondContact O-N 2.97Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 2.97Å; E126-Q129 PolarHBondContact O-N 3.38Å; E126-A130 WeakPolarHBondContact O-CB 3.39Å; E126-A130 PolarHBondContact O-N 3.06Å |
| 127 | E | 85.8 | Confident | 81.2 | Confident | 133 Ų | 133 | 118.8 Ų | 118.8 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.1 | -37.5 | 175.5 | -173.8 | 178.7 | 176.1 | 0 | 0 | 112.2 | R123 R131 | R123-E127 VanDerWaalsContact O-CB 3.24Å; R123-E127 WeakPolarHBondContact O-CB 3.23Å; R123-E127 PolarHBondContact O-N 2.91Å; E127-R131 VanDerWaalsContact O-CB 3.24Å; E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 PolarHBondContact O-N 3.46Å |
| 128 | K | 85.5 | Confident | 82.7 | Confident | 156 Ų | 156 | 119.2 Ų | 119.2 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70 | -36.5 | 175.7 | -170.4 | 175.4 | -179.8 | -176.3 | 0 | 112 | K124 L125 E126 K132 | K124-K128 WeakPolarHBondContact O-CB 3.34Å; K124-K128 PolarHBondContact O-N 3.35Å; L125-K128 PolarHBondContact O-N 3.22Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 2.97Å; K128-K132 WeakPolarHBondContact O-CB 3.25Å; K128-K132 PolarHBondContact O-N 2.96Å |
| 129 | Q | 85 | Confident | 83.6 | Confident | 136 Ų | 136 | 122.1 Ų | 122.1 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.2 | -44.8 | 174.7 | -74.8 | 176.5 | -12.3 | 0 | 0 | 111.3 | L125 E126 R131 K132 A133 | L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 WeakPolarHBondContact O-CG 3.49Å; L125-Q129 PolarHBondContact O-N 3.48Å; E126-Q129 PolarHBondContact O-N 3.38Å; Q129-R131 VanDerWaalsContact C-N 3.32Å; Q129-R131 PolarHBondContact O-N 3.5Å; Q129-K132 PolarHBondContact O-N 3Å; Q129-K132 VanDerWaalsContact O-N 3.13Å; Q129-A133 WeakPolarHBondContact O-CB 3.31Å; Q129-A133 PolarHBondContact O-N 3.37Å |
| 130 | A | 85.9 | Confident | 84.4 | Confident | 51 Ų | 51 | 120.3 Ų | 120.3 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61 | -41.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E126 K132 A133 Q134 | E126-A130 WeakPolarHBondContact O-CB 3.39Å; E126-A130 PolarHBondContact O-N 3.06Å; A130-K132 VanDerWaalsContact C-N 3.33Å; A130-K132 PolarHBondContact O-N 2.97Å; A130-A133 PolarHBondContact O-N 3.44Å; A130-Q134 WeakPolarHBondContact O-CB 3.43Å; A130-Q134 VanDerWaalsContact O-CG 3.32Å; A130-Q134 WeakPolarHBondContact O-CG 3.02Å; A130-Q134 PolarHBondContact O-N 2.82Å |
| 131 | R | 86.8 | Confident | 85 | Confident | 154 Ų | 154 | 117.7 Ų | 117.7 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -31.5 | 175.1 | -170.1 | 174.8 | -175.4 | -173.8 | 1.4 | 113.1 | E127 Q129 R135 | E127-R131 VanDerWaalsContact O-CB 3.24Å; E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 PolarHBondContact O-N 3.46Å; Q129-R131 VanDerWaalsContact C-N 3.32Å; Q129-R131 PolarHBondContact O-N 3.5Å; R131-R135 WeakPolarHBondContact O-CG 3.23Å; R131-R135 PolarHBondContact O-N 3.41Å |
| 132 | K | 88.8 | Confident | 85.7 | Confident | 150 Ų | 150 | 116 Ų | 116 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.7 | -45.5 | 173.6 | -171 | -179 | 176.8 | -171.2 | 0 | 110.8 | K128 Q129 A130 Q134 R135 E136 | K128-K132 WeakPolarHBondContact O-CB 3.25Å; K128-K132 PolarHBondContact O-N 2.96Å; Q129-K132 PolarHBondContact O-N 3Å; Q129-K132 VanDerWaalsContact O-N 3.13Å; A130-K132 VanDerWaalsContact C-N 3.33Å; A130-K132 PolarHBondContact O-N 2.97Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.4Å; K132-R135 PolarHBondContact O-N 3.01Å; K132-R135 VanDerWaalsContact O-N 3.16Å; K132-E136 PolarHBondContact O-N 2.96Å |
| 133 | A | 89 | Confident | 86.4 | Confident | 55 Ų | 55 | 117.6 Ų | 117.6 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q129 A130 E136 A137 | Q129-A133 WeakPolarHBondContact O-CB 3.31Å; Q129-A133 PolarHBondContact O-N 3.37Å; A130-A133 PolarHBondContact O-N 3.44Å; A133-E136 PolarHBondContact O-N 2.9Å; A133-A137 WeakPolarHBondContact O-CB 3.46Å; A133-A137 PolarHBondContact O-N 3.21Å |
| 134 | Q | 86.8 | Confident | 86.9 | Confident | 138 Ų | 138 | 115.3 Ų | 115.3 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -40 | 174 | -78.6 | 177.5 | -6 | 0 | 0 | 112.8 | A130 K132 E138 | A130-Q134 WeakPolarHBondContact O-CB 3.43Å; A130-Q134 VanDerWaalsContact O-CG 3.32Å; A130-Q134 WeakPolarHBondContact O-CG 3.02Å; A130-Q134 PolarHBondContact O-N 2.82Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.4Å; Q134-E138 WeakPolarHBondContact O-CB 3.44Å; Q134-E138 PolarHBondContact O-N 3.32Å |
| 135 | R | 86.8 | Confident | 87.2 | Confident | 136 Ų | 136 | 115.8 Ų | 115.8 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.1 | -41.2 | 177.5 | -72.6 | 174.3 | 178.9 | -176.5 | -4.6 | 112 | R131 K132 E138 E139 | R131-R135 WeakPolarHBondContact O-CG 3.23Å; R131-R135 PolarHBondContact O-N 3.41Å; K132-R135 PolarHBondContact O-N 3.01Å; K132-R135 VanDerWaalsContact O-N 3.16Å; R135-E138 PolarHBondContact O-N 3.47Å; R135-E139 WeakPolarHBondContact O-CB 3.14Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.02Å |
| 136 | E | 88.9 | Confident | 87.9 | Confident | 126 Ų | 126 | 118.1 Ų | 118.1 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.6 | -41.9 | 177.7 | -173.3 | 174.7 | 173.9 | 0 | 0 | 111.7 | K132 A133 E139 A140 | K132-E136 PolarHBondContact O-N 2.96Å; A133-E136 PolarHBondContact O-N 2.9Å; E136-E139 PolarHBondContact O-N 3.46Å; E136-A140 WeakPolarHBondContact O-CB 3.19Å; E136-A140 PolarHBondContact O-N 2.96Å |
| 137 | A | 89.4 | Confident | 88.4 | Confident | 63 Ų | 63 | 120.1 Ų | 120.1 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A133 E141 | A133-A137 WeakPolarHBondContact O-CB 3.46Å; A133-A137 PolarHBondContact O-N 3.21Å; A137-E141 WeakPolarHBondContact O-CB 3.19Å; A137-E141 PolarHBondContact O-N 3.3Å |
| 138 | E | 87.6 | Confident | 88.7 | Confident | 93 Ų | 93 | 117.7 Ų | 117.7 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.4 | -36.9 | 177 | -169.9 | -176.6 | -179.6 | 0 | 0 | 112.2 | Q134 R135 R142 | Q134-E138 WeakPolarHBondContact O-CB 3.44Å; Q134-E138 PolarHBondContact O-N 3.32Å; R135-E138 PolarHBondContact O-N 3.47Å; E138-R142 VanDerWaalsContact O-CG 3.29Å; E138-R142 WeakPolarHBondContact O-CG 3.29Å; E138-R142 PolarHBondContact O-N 2.91Å; E138-R142 IonicContact OE1-CZ 3.51Å; E138-R142 IonicContact OE1-NE 3.85Å; E138-R142 IonicContact OE1-NH2 2.64Å; E138-R142 PolarHBondContact OE1-NH2 3.26Å; E138-R142 IonicContact OE2-NH2 3.51Å |
| 139 | E | 86.6 | Confident | 88.9 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 174.8 | -76.4 | 169.4 | -170.8 | 0 | 0 | 111.7 | R135 E136 R142 E143 | R135-E139 WeakPolarHBondContact O-CB 3.14Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.02Å; E136-E139 PolarHBondContact O-N 3.46Å; E139-R142 PolarHBondContact O-N 3.07Å; E139-E143 WeakPolarHBondContact O-CG 3.26Å; E139-E143 PolarHBondContact O-N 3.32Å |
| 140 | A | 90.6 | Very high | 89.3 | Confident | 46 Ų | 46 | 110.5 Ų | 110.5 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E136 R142 E143 E144 | E136-A140 WeakPolarHBondContact O-CB 3.19Å; E136-A140 PolarHBondContact O-N 2.96Å; A140-R142 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.34Å; A140-E143 PolarHBondContact O-N 2.97Å; A140-E144 WeakPolarHBondContact O-CB 3.48Å; A140-E144 WeakPolarHBondContact O-CG 3.34Å; A140-E144 PolarHBondContact O-N 2.9Å |
| 141 | E | 88.2 | Confident | 89.6 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 176.1 | -171.6 | -175.5 | 165.8 | 0 | 0 | 111.7 | A137 R145 | A137-E141 WeakPolarHBondContact O-CB 3.19Å; A137-E141 PolarHBondContact O-N 3.3Å; E141-R145 WeakPolarHBondContact O-CB 3.24Å; E141-R145 PolarHBondContact O-N 3.32Å |
| 142 | R | 88.3 | Confident | 89.9 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.6 | -74 | -176.8 | -155.6 | 134.9 | -4.5 | 112.2 | E138 E139 A140 K146 | E138-R142 VanDerWaalsContact O-CG 3.29Å; E138-R142 WeakPolarHBondContact O-CG 3.29Å; E138-R142 PolarHBondContact O-N 2.91Å; E138-R142 IonicContact OE1-CZ 3.51Å; E138-R142 IonicContact OE1-NE 3.85Å; E138-R142 IonicContact OE1-NH2 2.64Å; E138-R142 PolarHBondContact OE1-NH2 3.26Å; E138-R142 IonicContact OE2-NH2 3.51Å; E139-R142 PolarHBondContact O-N 3.07Å; A140-R142 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.34Å; R142-K146 WeakPolarHBondContact O-CB 3.46Å; R142-K146 VanDerWaalsContact O-CG 3.25Å; R142-K146 WeakPolarHBondContact O-CG 3.43Å; R142-K146 PolarHBondContact O-N 3.5Å |
| 143 | E | 90.4 | Very high | 90 | Very high | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 177 | -74.3 | -173.2 | -175.1 | 0 | 0 | 112.3 | E139 A140 R145 K146 R147 | E139-E143 WeakPolarHBondContact O-CG 3.26Å; E139-E143 PolarHBondContact O-N 3.32Å; A140-E143 PolarHBondContact O-N 2.97Å; E143-R145 VanDerWaalsContact C-N 3.33Å; E143-R145 PolarHBondContact O-N 2.88Å; E143-K146 PolarHBondContact O-N 2.89Å; E143-R147 WeakPolarHBondContact O-CG 3.41Å; E143-R147 PolarHBondContact O-N 2.98Å |
| 144 | E | 89.2 | Confident | 90.2 | Very high | 139 Ų | 139 | 111.5 Ų | 111.5 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 175.1 | -74.5 | -171.7 | 169.2 | 0 | 0 | 111.4 | A140 K146 R147 L148 | A140-E144 WeakPolarHBondContact O-CB 3.48Å; A140-E144 WeakPolarHBondContact O-CG 3.34Å; A140-E144 PolarHBondContact O-N 2.9Å; E144-K146 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 3.07Å; E144-L148 WeakPolarHBondContact O-CB 3.37Å; E144-L148 PolarHBondContact O-N 3.23Å |
| 145 | R | 90.1 | Very high | 90.5 | Very high | 164 Ų | 164 | 111.2 Ų | 111.2 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 174.9 | -177.5 | 175.2 | 172 | 179.9 | 0.1 | 111.9 | E141 E143 R147 L148 E149 | E141-R145 WeakPolarHBondContact O-CB 3.24Å; E141-R145 PolarHBondContact O-N 3.32Å; E143-R145 VanDerWaalsContact C-N 3.33Å; E143-R145 PolarHBondContact O-N 2.88Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.47Å; R145-L148 PolarHBondContact O-N 3.2Å; R145-E149 HydrophobicContact CG-CG 4.44Å; R145-E149 WeakPolarHBondContact CG-OE1 3.38Å; R145-E149 IonicContact CZ-OE1 3.71Å; R145-E149 IonicContact NE-OE1 3.4Å; R145-E149 PolarHBondContact NE-OE1 2.78Å; R145-E149 IonicContact NH2-OE1 3.34Å; R145-E149 PolarHBondContact NH2-OE1 2.85Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 WeakPolarHBondContact O-CG 3.5Å; R145-E149 PolarHBondContact O-N 3.01Å |
| 146 | K | 93.2 | Very high | 90.6 | Very high | 144 Ų | 144 | 113.1 Ų | 113.1 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 175.8 | -76.5 | 173.7 | -179.4 | -178.2 | 0 | 112 | R142 E143 E144 E149 S150 | R142-K146 WeakPolarHBondContact O-CB 3.46Å; R142-K146 VanDerWaalsContact O-CG 3.25Å; R142-K146 WeakPolarHBondContact O-CG 3.43Å; R142-K146 PolarHBondContact O-N 3.5Å; E143-K146 PolarHBondContact O-N 2.89Å; E144-K146 PolarHBondContact O-N 3.45Å; K146-E149 PolarHBondContact O-N 3.27Å; K146-S150 WeakPolarHBondContact O-CB 3.5Å; K146-S150 PolarHBondContact O-N 3.1Å; K146-S150 PolarHBondContact O-OG 2.93Å |
| 147 | R | 93.4 | Very high | 90.9 | Very high | 160 Ų | 160 | 112.9 Ų | 112.9 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 176.1 | -74.8 | -179.6 | -177 | 175.8 | 5.7 | 111.2 | E143 E144 R145 S150 Q151 | E143-R147 WeakPolarHBondContact O-CG 3.41Å; E143-R147 PolarHBondContact O-N 2.98Å; E144-R147 PolarHBondContact O-N 3.07Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.47Å; R147-S150 PolarHBondContact O-N 3.44Å; R147-S150 PolarHBondContact O-OG 3.11Å; R147-Q151 WeakPolarHBondContact O-CG 3.46Å; R147-Q151 PolarHBondContact O-N 3.24Å |
| 148 | L | 91.4 | Very high | 91.2 | Very high | 82 Ų | 82 | 116.6 Ų | 116.6 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 178 | -172 | 69.6 | 0 | 0 | 0 | 112.2 | E144 R145 Q151 R152 | E144-L148 WeakPolarHBondContact O-CB 3.37Å; E144-L148 PolarHBondContact O-N 3.23Å; R145-L148 PolarHBondContact O-N 3.2Å; L148-Q151 PolarHBondContact O-N 2.94Å; L148-R152 WeakPolarHBondContact O-CG 3.49Å; L148-R152 PolarHBondContact O-N 2.82Å |
| 149 | E | 90.3 | Very high | 91.3 | Very high | 77 Ų | 77 | 117.8 Ų | 117.8 | 36% | 0.36 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 174.9 | -74.8 | 172.4 | -178.3 | 0 | 0 | 110.9 | R145 K146 Q151 R152 E153 | R145-E149 HydrophobicContact CG-CG 4.44Å; R145-E149 WeakPolarHBondContact CG-OE1 3.38Å; R145-E149 IonicContact CZ-OE1 3.71Å; R145-E149 IonicContact NE-OE1 3.4Å; R145-E149 PolarHBondContact NE-OE1 2.78Å; R145-E149 IonicContact NH2-OE1 3.34Å; R145-E149 PolarHBondContact NH2-OE1 2.85Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 WeakPolarHBondContact O-CG 3.5Å; R145-E149 PolarHBondContact O-N 3.01Å; K146-E149 PolarHBondContact O-N 3.27Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 3.4Å; E149-R152 PolarHBondContact O-N 2.89Å; E149-E153 WeakPolarHBondContact O-CB 3.22Å; E149-E153 WeakPolarHBondContact O-CG 3Å; E149-E153 PolarHBondContact O-N 2.86Å |
| 150 | S | 93.4 | Very high | 91.6 | Very high | 65 Ų | 65 | 116.2 Ų | 116.2 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 176.9 | 73.7 | 0 | 0 | 0 | 0 | 113.6 | K146 R147 A154 | K146-S150 WeakPolarHBondContact O-CB 3.5Å; K146-S150 PolarHBondContact O-N 3.1Å; K146-S150 PolarHBondContact O-OG 2.93Å; R147-S150 PolarHBondContact O-N 3.44Å; R147-S150 PolarHBondContact O-OG 3.11Å; S150-A154 WeakPolarHBondContact O-CB 3.35Å; S150-A154 PolarHBondContact O-N 2.99Å |
| 151 | Q | 92.9 | Very high | 91.7 | Very high | 116 Ų | 116 | 120.1 Ų | 120.1 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 175.6 | -73 | 173.8 | 10.5 | 0 | 0 | 110.9 | R147 L148 E149 A154 E155 | R147-Q151 WeakPolarHBondContact O-CG 3.46Å; R147-Q151 PolarHBondContact O-N 3.24Å; L148-Q151 PolarHBondContact O-N 2.94Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 3.4Å; Q151-A154 PolarHBondContact O-N 3.05Å; Q151-E155 WeakPolarHBondContact O-CG 3.27Å; Q151-E155 PolarHBondContact O-N 2.7Å |
| 152 | R | 91.9 | Very high | 91.9 | Very high | 155 Ų | 155 | 121.4 Ų | 121.4 | 59% | 0.585 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 176 | -71.6 | 175 | -180 | -177 | 0.3 | 112.3 | L148 E149 A154 E155 W156 | L148-R152 WeakPolarHBondContact O-CG 3.49Å; L148-R152 PolarHBondContact O-N 2.82Å; E149-R152 PolarHBondContact O-N 2.89Å; R152-A154 VanDerWaalsContact C-N 3.33Å; R152-E155 PolarHBondContact O-N 3.49Å; R152-W156 WeakPolarHBondContact O-CB 3.44Å; R152-W156 PolarHBondContact O-N 3.45Å |
| 153 | E | 92.4 | Very high | 92.1 | Very high | 114 Ų | 114 | 120.1 Ų | 120.1 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 175.1 | -75.3 | -178 | -171.4 | 0 | 0 | 112.2 | E149 K157 | E149-E153 WeakPolarHBondContact O-CB 3.22Å; E149-E153 WeakPolarHBondContact O-CG 3Å; E149-E153 PolarHBondContact O-N 2.86Å; E153-K157 WeakPolarHBondContact O-CB 3.43Å; E153-K157 VanDerWaalsContact O-CG 3.28Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.92Å |
| 154 | A | 93.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 121.6 Ų | 121.6 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S150 Q151 R152 K158 | S150-A154 WeakPolarHBondContact O-CB 3.35Å; S150-A154 PolarHBondContact O-N 2.99Å; Q151-A154 PolarHBondContact O-N 3.05Å; R152-A154 VanDerWaalsContact C-N 3.33Å; A154-K158 VanDerWaalsContact O-CG 3.31Å; A154-K158 WeakPolarHBondContact O-CG 3.42Å; A154-K158 PolarHBondContact O-N 2.67Å |
| 155 | E | 92.4 | Very high | 92.4 | Very high | 133 Ų | 133 | 119.7 Ų | 119.7 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 173.3 | -73.1 | 176.4 | 172.6 | 0 | 0 | 111.4 | Q151 R152 K157 K158 E159 | Q151-E155 WeakPolarHBondContact O-CG 3.27Å; Q151-E155 PolarHBondContact O-N 2.7Å; R152-E155 PolarHBondContact O-N 3.49Å; E155-K157 PolarHBondContact O-N 3.34Å; E155-K158 PolarHBondContact O-N 3.44Å; E155-E159 PolarHBondContact O-N 3.47Å |
| 156 | W | 89.4 | Confident | 92.4 | Very high | 175 Ų | 175 | 115.7 Ų | 115.7 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 176.9 | -173.6 | -84 | 0 | 0 | 0 | 112.1 | R152 K158 E159 E160 | R152-W156 WeakPolarHBondContact O-CB 3.44Å; R152-W156 PolarHBondContact O-N 3.45Å; W156-K158 VanDerWaalsContact C-N 3.34Å; W156-K158 PolarHBondContact O-N 3.33Å; W156-E159 PolarHBondContact O-N 3.38Å; W156-E160 WeakPolarHBondContact O-CB 3.39Å; W156-E160 PolarHBondContact O-N 2.78Å |
| 157 | K | 94.7 | Very high | 92.3 | Very high | 121 Ų | 121 | 115.3 Ų | 115.3 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.2 | -77.1 | 172.1 | -177.3 | 171 | 0 | 112.3 | E153 E155 E160 E161 | E153-K157 WeakPolarHBondContact O-CB 3.43Å; E153-K157 VanDerWaalsContact O-CG 3.28Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.92Å; E155-K157 PolarHBondContact O-N 3.34Å; K157-E160 PolarHBondContact O-N 3.44Å; K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 3.2Å |
| 158 | K | 94.6 | Very high | 92.1 | Very high | 142 Ų | 142 | 113.1 Ų | 113.1 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 176.7 | -72.8 | 172.9 | -177 | 178.6 | 0 | 112.1 | A154 E155 W156 R162 | A154-K158 VanDerWaalsContact O-CG 3.31Å; A154-K158 WeakPolarHBondContact O-CG 3.42Å; A154-K158 PolarHBondContact O-N 2.67Å; E155-K158 PolarHBondContact O-N 3.44Å; W156-K158 VanDerWaalsContact C-N 3.34Å; W156-K158 PolarHBondContact O-N 3.33Å; K158-R162 WeakPolarHBondContact O-CG 3.44Å; K158-R162 PolarHBondContact O-N 2.72Å; K158-R162 VanDerWaalsContact O-N 3.13Å |
| 159 | E | 90.6 | Very high | 92.1 | Very high | 118 Ų | 118 | 114.9 Ų | 114.9 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | 175.9 | -171 | 171.8 | -168.3 | 0 | 0 | 111.4 | E155 W156 R162 L163 | E155-E159 PolarHBondContact O-N 3.47Å; W156-E159 PolarHBondContact O-N 3.38Å; E159-R162 PolarHBondContact O-N 3.22Å; E159-L163 HydrophobicContact CG-CD1 4.28Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.49Å |
| 160 | E | 92.6 | Very high | 92.1 | Very high | 74 Ų | 74 | 117.6 Ų | 117.6 | 35% | 0.346 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.5 | -171.4 | 179.9 | 173.1 | 0 | 0 | 112 | W156 K157 R162 L163 R164 | W156-E160 WeakPolarHBondContact O-CB 3.39Å; W156-E160 PolarHBondContact O-N 2.78Å; K157-E160 PolarHBondContact O-N 3.44Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.92Å; E160-L163 PolarHBondContact O-N 3.49Å; E160-R164 WeakPolarHBondContact O-CG 3.31Å; E160-R164 PolarHBondContact O-N 3.27Å; E160-R164 IonicContact OE1-CZ 3.55Å; E160-R164 IonicContact OE1-NE 2.82Å; E160-R164 IonicContact OE1-NH2 3.38Å; E160-R164 PolarHBondContact OE1-NH2 2.73Å |
| 161 | E | 92.1 | Very high | 91.9 | Very high | 128 Ų | 128 | 120.2 Ų | 120.2 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 175.2 | -76.2 | 175.5 | -179.6 | 0 | 0 | 112.2 | K157 R164 L165 | K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 3.2Å; E161-R164 PolarHBondContact O-N 2.73Å; E161-L165 WeakPolarHBondContact O-CG 2.99Å; E161-L165 PolarHBondContact O-N 3.49Å; E161-L165 VanDerWaalsContact O-N 3.1Å |
| 162 | R | 93.9 | Very high | 91.8 | Very high | 164 Ų | 164 | 120.4 Ų | 120.4 | 62% | 0.619 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 175.1 | -76.3 | -174.6 | 63 | -171.3 | -6.4 | 112.1 | K158 E159 E160 R164 L165 E166 | K158-R162 WeakPolarHBondContact O-CG 3.44Å; K158-R162 PolarHBondContact O-N 2.72Å; K158-R162 VanDerWaalsContact O-N 3.13Å; E159-R162 PolarHBondContact O-N 3.22Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.92Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.47Å; R162-L165 PolarHBondContact O-N 2.96Å; R162-E166 IonicContact NH2-OE1 2.72Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.82Å |
| 163 | L | 92.7 | Very high | 91.7 | Very high | 96 Ų | 96 | 119.3 Ų | 119.3 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 178 | -74.1 | 171.8 | 0 | 0 | 0 | 111.5 | E159 E160 E166 E167 | E159-L163 HydrophobicContact CG-CD1 4.28Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.49Å; E160-L163 PolarHBondContact O-N 3.49Å; L163-E166 PolarHBondContact O-N 3.49Å; L163-E167 WeakPolarHBondContact O-CB 3.31Å; L163-E167 PolarHBondContact O-N 2.95Å |
| 164 | R | 92.9 | Very high | 91.6 | Very high | 142 Ų | 142 | 118.7 Ų | 118.7 | 54% | 0.536 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.8 | -74 | 179.7 | -174.4 | -159.5 | 4.7 | 112.1 | E160 E161 R162 E166 E167 E168 | E160-R164 WeakPolarHBondContact O-CG 3.31Å; E160-R164 PolarHBondContact O-N 3.27Å; E160-R164 IonicContact OE1-CZ 3.55Å; E160-R164 IonicContact OE1-NE 2.82Å; E160-R164 IonicContact OE1-NH2 3.38Å; E160-R164 PolarHBondContact OE1-NH2 2.73Å; E161-R164 PolarHBondContact O-N 2.73Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.47Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 3.38Å; R164-E167 PolarHBondContact O-N 3.01Å; R164-E168 WeakPolarHBondContact O-CB 3.09Å; R164-E168 WeakPolarHBondContact O-CG 3.41Å; R164-E168 PolarHBondContact O-N 3.24Å |
| 165 | L | 91.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 123.5 Ų | 123.5 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.3 | -73.2 | 167.3 | 0 | 0 | 0 | 112.2 | E161 R162 Q169 | E161-L165 WeakPolarHBondContact O-CG 2.99Å; E161-L165 PolarHBondContact O-N 3.49Å; E161-L165 VanDerWaalsContact O-N 3.1Å; R162-L165 PolarHBondContact O-N 2.96Å; L165-Q169 VanDerWaalsContact O-CG 3.27Å; L165-Q169 WeakPolarHBondContact O-CG 2.98Å; L165-Q169 PolarHBondContact O-N 2.89Å; L165-Q169 VanDerWaalsContact O-N 3.07Å |
| 166 | E | 90.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 123.3 Ų | 123.3 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -34.2 | 176 | -73.3 | 178.1 | -162.2 | 0 | 0 | 112.5 | R162 L163 R164 K170 | R162-E166 IonicContact NH2-OE1 2.72Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.82Å; L163-E166 PolarHBondContact O-N 3.49Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 3.38Å; E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.08Å; E166-K170 VanDerWaalsContact O-N 3.14Å |
| 167 | E | 90.4 | Very high | 91.8 | Very high | 136 Ų | 136 | 117 Ų | 117 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70 | -44.5 | 175.4 | -170.8 | 170.7 | -161 | 0 | 0 | 111.4 | L163 R164 Q169 K170 E171 | L163-E167 WeakPolarHBondContact O-CB 3.31Å; L163-E167 PolarHBondContact O-N 2.95Å; R164-E167 PolarHBondContact O-N 3.01Å; E167-Q169 PolarHBondContact O-N 3.47Å; E167-K170 PolarHBondContact O-N 3.49Å; E167-E171 PolarHBondContact O-N 2.99Å |
| 168 | E | 90.3 | Very high | 91.7 | Very high | 115 Ų | 115 | 118.2 Ų | 118.2 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 174.8 | -73.8 | 173 | -176.8 | 0 | 0 | 111.7 | R164 K170 E171 E172 | R164-E168 WeakPolarHBondContact O-CB 3.09Å; R164-E168 WeakPolarHBondContact O-CG 3.41Å; R164-E168 PolarHBondContact O-N 3.24Å; E168-K170 PolarHBondContact O-N 2.92Å; E168-E171 PolarHBondContact O-N 3.38Å; E168-E172 WeakPolarHBondContact O-CG 3.43Å; E168-E172 PolarHBondContact O-N 3.49Å |
| 169 | Q | 90.5 | Very high | 91.5 | Very high | 119 Ų | 119 | 116 Ų | 116 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 176 | -74.9 | 175.8 | 17.2 | 0 | 0 | 112.3 | L165 E167 E172 E173 | L165-Q169 VanDerWaalsContact O-CG 3.27Å; L165-Q169 WeakPolarHBondContact O-CG 2.98Å; L165-Q169 PolarHBondContact O-N 2.89Å; L165-Q169 VanDerWaalsContact O-N 3.07Å; E167-Q169 PolarHBondContact O-N 3.47Å; Q169-E172 PolarHBondContact O-N 2.88Å; Q169-E173 WeakPolarHBondContact O-CG 3.48Å; Q169-E173 PolarHBondContact O-N 3.29Å |
| 170 | K | 91.8 | Very high | 91.6 | Very high | 133 Ų | 133 | 115.1 Ų | 115.1 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 176.7 | -76.3 | 170.4 | -177.3 | 165.9 | 0 | 112 | E166 E167 E168 E173 E174 | E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.08Å; E166-K170 VanDerWaalsContact O-N 3.14Å; E167-K170 PolarHBondContact O-N 3.49Å; E168-K170 PolarHBondContact O-N 2.92Å; K170-E173 PolarHBondContact O-N 3.46Å; K170-E174 WeakPolarHBondContact O-CB 3.4Å; K170-E174 PolarHBondContact O-N 2.65Å |
| 171 | E | 89.1 | Confident | 91.4 | Very high | 121 Ų | 121 | 117 Ų | 117 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 177 | -169.6 | 176.8 | 179.1 | 0 | 0 | 111.1 | E167 E168 E174 R175 | E167-E171 PolarHBondContact O-N 2.99Å; E168-E171 PolarHBondContact O-N 3.38Å; E171-E174 PolarHBondContact O-N 3.5Å; E171-R175 WeakPolarHBondContact O-CB 3.22Å; E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.06Å |
| 172 | E | 90.3 | Very high | 91.4 | Very high | 119 Ų | 119 | 113.5 Ų | 113.5 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 174.4 | -75.2 | -168.3 | -179.4 | 0 | 0 | 113.1 | E168 Q169 R175 K176 | E168-E172 WeakPolarHBondContact O-CG 3.43Å; E168-E172 PolarHBondContact O-N 3.49Å; Q169-E172 PolarHBondContact O-N 2.88Å; E172-R175 PolarHBondContact O-N 3.39Å; E172-K176 WeakPolarHBondContact O-CG 3.34Å; E172-K176 PolarHBondContact O-N 3.38Å; E172-K176 IonicContact OE2-NZ 3.5Å |
| 173 | E | 89.9 | Confident | 91.3 | Very high | 132 Ų | 132 | 111.5 Ų | 111.5 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 176 | -75.6 | -178.9 | 176 | 0 | 0 | 111.6 | Q169 K170 R175 K176 A177 | Q169-E173 WeakPolarHBondContact O-CG 3.48Å; Q169-E173 PolarHBondContact O-N 3.29Å; K170-E173 PolarHBondContact O-N 3.46Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-R175 PolarHBondContact O-N 2.86Å; E173-K176 PolarHBondContact O-N 2.78Å; E173-A177 WeakPolarHBondContact O-CB 3.25Å; E173-A177 PolarHBondContact O-N 3.31Å |
| 174 | E | 90.4 | Very high | 91.3 | Very high | 101 Ų | 101 | 113.7 Ų | 113.7 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.4 | -170.1 | 177.2 | -172.9 | 0 | 0 | 111.4 | K170 E171 A177 R178 | K170-E174 WeakPolarHBondContact O-CB 3.4Å; K170-E174 PolarHBondContact O-N 2.65Å; E171-E174 PolarHBondContact O-N 3.5Å; E174-A177 PolarHBondContact O-N 2.89Å; E174-R178 VanDerWaalsContact CD-NH2 3.25Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 VanDerWaalsContact O-CG 3.27Å; E174-R178 WeakPolarHBondContact O-CG 3.47Å; E174-R178 PolarHBondContact O-N 3Å; E174-R178 IonicContact OE1-CZ 3.47Å; E174-R178 IonicContact OE1-NE 3.48Å; E174-R178 PolarHBondContact OE1-NE 3Å; E174-R178 IonicContact OE1-NH2 3.94Å; E174-R178 PolarHBondContact OE1-NH2 2.91Å; E174-R178 IonicContact OE2-NH2 2.64Å |
| 175 | R | 91.9 | Very high | 91.3 | Very high | 147 Ų | 147 | 113 Ų | 113 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 173.8 | -78.9 | -169.2 | 61.8 | -170.2 | -8.4 | 112.2 | E171 E172 E173 A177 R178 E179 | E171-R175 WeakPolarHBondContact O-CB 3.22Å; E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.06Å; E172-R175 PolarHBondContact O-N 3.39Å; E173-R175 VanDerWaalsContact C-N 3.35Å; E173-R175 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.99Å; R175-R178 PolarHBondContact O-N 2.97Å; R175-E179 IonicContact NH2-OE1 3.51Å; R175-E179 PolarHBondContact NH2-OE1 2.92Å; R175-E179 WeakPolarHBondContact O-CB 3.33Å; R175-E179 WeakPolarHBondContact O-CG 3.41Å; R175-E179 PolarHBondContact O-N 3.15Å |
| 176 | K | 93.9 | Very high | 91.2 | Very high | 129 Ų | 129 | 113.5 Ų | 113.5 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 176.5 | -73.9 | 169.8 | -174.2 | 160.2 | 0 | 111.7 | E172 E173 R178 E179 E180 | E172-K176 WeakPolarHBondContact O-CG 3.34Å; E172-K176 PolarHBondContact O-N 3.38Å; E172-K176 IonicContact OE2-NZ 3.5Å; E173-K176 PolarHBondContact O-N 2.78Å; K176-R178 PolarHBondContact O-N 3.29Å; K176-E179 PolarHBondContact O-N 2.85Å; K176-E180 WeakPolarHBondContact O-CB 3.08Å; K176-E180 PolarHBondContact O-N 2.91Å |
| 177 | A | 94.1 | Very high | 91.2 | Very high | 43 Ų | 43 | 114.8 Ų | 114.8 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E173 E174 R175 E180 Q181 | E173-A177 WeakPolarHBondContact O-CB 3.25Å; E173-A177 PolarHBondContact O-N 3.31Å; E174-A177 PolarHBondContact O-N 2.89Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.99Å; A177-E180 PolarHBondContact O-N 3.29Å; A177-Q181 WeakPolarHBondContact O-CB 3.41Å; A177-Q181 VanDerWaalsContact O-CG 3.23Å; A177-Q181 WeakPolarHBondContact O-CG 3.4Å; A177-Q181 PolarHBondContact O-N 3.36Å |
| 178 | R | 91.5 | Very high | 91.3 | Very high | 146 Ų | 146 | 113.9 Ų | 113.9 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 175.2 | -72 | 174.4 | -174.8 | -179.9 | 3.9 | 112 | E174 R175 K176 Q181 A182 | E174-R178 VanDerWaalsContact CD-NH2 3.25Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 VanDerWaalsContact O-CG 3.27Å; E174-R178 WeakPolarHBondContact O-CG 3.47Å; E174-R178 PolarHBondContact O-N 3Å; E174-R178 IonicContact OE1-CZ 3.47Å; E174-R178 IonicContact OE1-NE 3.48Å; E174-R178 PolarHBondContact OE1-NE 3Å; E174-R178 IonicContact OE1-NH2 3.94Å; E174-R178 PolarHBondContact OE1-NH2 2.91Å; E174-R178 IonicContact OE2-NH2 2.64Å; R175-R178 PolarHBondContact O-N 2.97Å; K176-R178 PolarHBondContact O-N 3.29Å; R178-Q181 PolarHBondContact O-N 3.24Å; R178-A182 WeakPolarHBondContact O-CB 3.43Å; R178-A182 PolarHBondContact O-N 2.89Å |
| 179 | E | 91.5 | Very high | 91.1 | Very high | 96 Ų | 96 | 115.1 Ų | 115.1 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 176.4 | -73.7 | 172.5 | -164.1 | 0 | 0 | 111.3 | R175 K176 A182 Q183 | R175-E179 IonicContact NH2-OE1 3.51Å; R175-E179 PolarHBondContact NH2-OE1 2.92Å; R175-E179 WeakPolarHBondContact O-CB 3.33Å; R175-E179 WeakPolarHBondContact O-CG 3.41Å; R175-E179 PolarHBondContact O-N 3.15Å; K176-E179 PolarHBondContact O-N 2.85Å; E179-A182 PolarHBondContact O-N 3.01Å; E179-Q183 WeakPolarHBondContact O-CG 3.2Å; E179-Q183 PolarHBondContact O-N 3.49Å |
| 180 | E | 91.2 | Very high | 91.1 | Very high | 98 Ų | 98 | 112.6 Ų | 112.6 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.2 | -170.3 | -179.4 | 178.7 | 0 | 0 | 112.2 | K176 A177 Q183 R184 | K176-E180 WeakPolarHBondContact O-CB 3.08Å; K176-E180 PolarHBondContact O-N 2.91Å; A177-E180 PolarHBondContact O-N 3.29Å; E180-Q183 PolarHBondContact O-N 3.42Å; E180-R184 WeakPolarHBondContact O-CG 3.35Å; E180-R184 PolarHBondContact O-N 3.32Å; E180-R184 IonicContact OE1-CZ 3.41Å; E180-R184 IonicContact OE1-NE 3.75Å; E180-R184 PolarHBondContact OE1-NE 3.37Å; E180-R184 IonicContact OE1-NH2 2.65Å; E180-R184 PolarHBondContact OE1-NH2 3.34Å |
| 181 | Q | 89.7 | Confident | 90.9 | Very high | 115 Ų | 115 | 112.5 Ų | 112.5 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 173.9 | -76.8 | 174.8 | -3.8 | 0 | 0 | 111.3 | A177 R178 Q183 R184 E185 | A177-Q181 WeakPolarHBondContact O-CB 3.41Å; A177-Q181 VanDerWaalsContact O-CG 3.23Å; A177-Q181 WeakPolarHBondContact O-CG 3.4Å; A177-Q181 PolarHBondContact O-N 3.36Å; R178-Q181 PolarHBondContact O-N 3.24Å; Q181-Q183 VanDerWaalsContact C-N 3.3Å; Q181-Q183 PolarHBondContact O-N 3.46Å; Q181-R184 PolarHBondContact O-N 3.34Å; Q181-E185 WeakPolarHBondContact O-CB 3.49Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 3.44Å |
| 182 | A | 91.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 112.3 Ų | 112.3 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R178 E179 H186 | R178-A182 WeakPolarHBondContact O-CB 3.43Å; R178-A182 PolarHBondContact O-N 2.89Å; E179-A182 PolarHBondContact O-N 3.01Å; A182-H186 VanDerWaalsContact O-CB 3.31Å; A182-H186 WeakPolarHBondContact O-CB 3.45Å; A182-H186 PolarHBondContact O-N 2.94Å |
| 183 | Q | 92.5 | Very high | 90.3 | Very high | 123 Ų | 123 | 112.3 Ų | 112.3 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.4 | -46.3 | 174.5 | -74.3 | 176.3 | 15 | 0 | 0 | 111.8 | E179 E180 Q181 E185 H186 E187 | E179-Q183 WeakPolarHBondContact O-CG 3.2Å; E179-Q183 PolarHBondContact O-N 3.49Å; E180-Q183 PolarHBondContact O-N 3.42Å; Q181-Q183 VanDerWaalsContact C-N 3.3Å; Q181-Q183 PolarHBondContact O-N 3.46Å; Q183-E185 PolarHBondContact O-N 2.85Å; Q183-H186 WeakPolarHBondContact O-CB 3.49Å; Q183-H186 PolarHBondContact O-N 2.93Å; Q183-H186 VanDerWaalsContact O-N 3.15Å; Q183-E187 WeakPolarHBondContact O-CG 3.32Å; Q183-E187 PolarHBondContact O-N 3.38Å |
| 184 | R | 92.6 | Very high | 89.9 | Confident | 142 Ų | 142 | 112.9 Ų | 112.9 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.6 | -69.7 | 174.2 | -175.1 | -167.8 | 3.6 | 111.5 | E180 Q181 H186 E187 E188 | E180-R184 WeakPolarHBondContact O-CG 3.35Å; E180-R184 PolarHBondContact O-N 3.32Å; E180-R184 IonicContact OE1-CZ 3.41Å; E180-R184 IonicContact OE1-NE 3.75Å; E180-R184 PolarHBondContact OE1-NE 3.37Å; E180-R184 IonicContact OE1-NH2 2.65Å; E180-R184 PolarHBondContact OE1-NH2 3.34Å; Q181-R184 PolarHBondContact O-N 3.34Å; R184-H186 VanDerWaalsContact C-N 3.28Å; R184-H186 PolarHBondContact O-N 2.97Å; R184-E187 PolarHBondContact O-N 3.49Å; R184-E188 WeakPolarHBondContact O-CB 3.35Å; R184-E188 WeakPolarHBondContact O-CG 3.23Å; R184-E188 PolarHBondContact O-N 3.38Å |
| 185 | E | 91.9 | Very high | 89.3 | Confident | 127 Ų | 127 | 112.4 Ų | 112.4 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.5 | -36.5 | 175.3 | -72.9 | 177.2 | -173.6 | 0 | 0 | 111.9 | Q181 Q183 Y189 | Q181-E185 WeakPolarHBondContact O-CB 3.49Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 3.44Å; Q183-E185 PolarHBondContact O-N 2.85Å; E185-Y189 WeakPolarHBondContact O-CB 3.37Å; E185-Y189 PolarHBondContact O-N 2.91Å |
| 186 | H | 89.4 | Confident | 88.1 | Confident | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 176.2 | -170.9 | 63.2 | 0 | 0 | 0 | 112.4 | A182 Q183 R184 Y189 L190 | A182-H186 VanDerWaalsContact O-CB 3.31Å; A182-H186 WeakPolarHBondContact O-CB 3.45Å; A182-H186 PolarHBondContact O-N 2.94Å; Q183-H186 WeakPolarHBondContact O-CB 3.49Å; Q183-H186 PolarHBondContact O-N 2.93Å; Q183-H186 VanDerWaalsContact O-N 3.15Å; R184-H186 VanDerWaalsContact C-N 3.28Å; R184-H186 PolarHBondContact O-N 2.97Å; H186-Y189 PolarHBondContact O-N 2.89Å; H186-L190 WeakPolarHBondContact O-CG 3.34Å; H186-L190 PolarHBondContact O-N 3.46Å |
| 187 | E | 91.4 | Very high | 86.5 | Confident | 106 Ų | 106 | 111.9 Ų | 111.9 | 50% | 0.495 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174 | -72.2 | -179.2 | -170.1 | 0 | 0 | 111.7 | Q183 R184 L190 K191 | Q183-E187 WeakPolarHBondContact O-CG 3.32Å; Q183-E187 PolarHBondContact O-N 3.38Å; R184-E187 PolarHBondContact O-N 3.49Å; E187-L190 PolarHBondContact O-N 2.93Å; E187-K191 WeakPolarHBondContact O-CG 3.46Å; E187-K191 PolarHBondContact O-N 3.5Å |
| 188 | E | 91.1 | Very high | 84.7 | Confident | 117 Ų | 117 | 114.5 Ų | 114.5 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.4 | -45.7 | 173.1 | -74.2 | -177.7 | 178.9 | 0 | 0 | 110.7 | R184 L190 K191 L192 | R184-E188 WeakPolarHBondContact O-CB 3.35Å; R184-E188 WeakPolarHBondContact O-CG 3.23Å; R184-E188 PolarHBondContact O-N 3.38Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.47Å; E188-K191 PolarHBondContact O-N 3.24Å; E188-L192 HydrophobicContact CB-CD1 4.32Å; E188-L192 WeakPolarHBondContact O-CB 3.44Å; E188-L192 WeakPolarHBondContact O-CD1 3.31Å; E188-L192 PolarHBondContact O-N 2.93Å |
| 189 | Y | 87.1 | Confident | 82.9 | Confident | 141 Ų | 141 | 115.7 Ų | 115.7 | 55% | 0.553 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.1 | -41.7 | 175.8 | 175.2 | -98.6 | 0 | 0 | 0 | 112 | E185 H186 L192 K193 | E185-Y189 WeakPolarHBondContact O-CB 3.37Å; E185-Y189 PolarHBondContact O-N 2.91Å; H186-Y189 PolarHBondContact O-N 2.89Å; Y189-L192 PolarHBondContact O-N 3.39Å; Y189-K193 HydrophobicContact CE1-CD 4.07Å; Y189-K193 WeakPolarHBondContact O-CA 3.38Å; Y189-K193 WeakPolarHBondContact O-CB 3.33Å; Y189-K193 PolarHBondContact O-N 3.34Å |
| 190 | L | 89.5 | Confident | 80.9 | Confident | 67 Ų | 67 | 118.1 Ų | 118.1 | 35% | 0.351 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.1 | -45.3 | 176 | -73.8 | 172.9 | 0 | 0 | 0 | 111.4 | H186 E187 E188 L192 K193 E194 | H186-L190 WeakPolarHBondContact O-CG 3.34Å; H186-L190 PolarHBondContact O-N 3.46Å; E187-L190 PolarHBondContact O-N 2.93Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.47Å; L190-L192 PolarHBondContact O-N 3.5Å; L190-K193 PolarHBondContact O-N 3.48Å; L190-E194 WeakPolarHBondContact O-CB 3.48Å; L190-E194 WeakPolarHBondContact O-CG 3.49Å; L190-E194 PolarHBondContact O-N 3.33Å |
| 191 | K | 87.4 | Confident | 79 | Confident | 131 Ų | 131 | 122.7 Ų | 122.7 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.5 | -44 | 175.4 | -73.3 | 170.5 | -175.8 | 163.3 | 0 | 112.1 | E187 E188 E194 A195 | E187-K191 WeakPolarHBondContact O-CG 3.46Å; E187-K191 PolarHBondContact O-N 3.5Å; E188-K191 PolarHBondContact O-N 3.24Å; K191-E194 PolarHBondContact O-N 3.31Å; K191-A195 VanDerWaalsContact O-CB 3.31Å; K191-A195 WeakPolarHBondContact O-CB 3.39Å; K191-A195 PolarHBondContact O-N 2.98Å |
| 192 | L | 84 | Confident | 77.3 | Confident | 116 Ų | 116 | 120.5 Ų | 120.5 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.1 | -37.2 | 174.9 | -88.1 | 106 | 0 | 0 | 0 | 111.4 | E188 Y189 L190 A195 F196 | E188-L192 HydrophobicContact CB-CD1 4.32Å; E188-L192 WeakPolarHBondContact O-CB 3.44Å; E188-L192 WeakPolarHBondContact O-CD1 3.31Å; E188-L192 PolarHBondContact O-N 2.93Å; Y189-L192 PolarHBondContact O-N 3.39Å; L190-L192 PolarHBondContact O-N 3.5Å; L192-A195 PolarHBondContact O-N 2.92Å; L192-F196 WeakPolarHBondContact O-CA 3.43Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.88Å |
| 193 | K | 83.4 | Confident | 75 | Confident | 120 Ų | 120 | 122.5 Ų | 122.5 | 52% | 0.522 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 176.8 | -178.7 | -176.4 | 177 | -169.6 | 0 | 111.2 | Y189 L190 F196 V197 | Y189-K193 HydrophobicContact CE1-CD 4.07Å; Y189-K193 WeakPolarHBondContact O-CA 3.38Å; Y189-K193 WeakPolarHBondContact O-CB 3.33Å; Y189-K193 PolarHBondContact O-N 3.34Å; L190-K193 PolarHBondContact O-N 3.48Å; K193-F196 CarbonylContact O-C 3.35Å; K193-F196 PolarHBondContact O-N 3Å; K193-V197 WeakPolarHBondContact O-CG2 3.34Å; K193-V197 PolarHBondContact O-N 3.13Å |
| 194 | E | 80.9 | Confident | 73.1 | Confident | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.5 | -44 | 174.1 | -74.6 | 174.7 | -176.9 | 0 | 0 | 111.2 | L190 K191 F196 V197 | L190-E194 WeakPolarHBondContact O-CB 3.48Å; L190-E194 WeakPolarHBondContact O-CG 3.49Å; L190-E194 PolarHBondContact O-N 3.33Å; K191-E194 PolarHBondContact O-N 3.31Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.07Å; E194-V197 WeakPolarHBondContact O-CB 3.41Å; E194-V197 PolarHBondContact O-N 3.1Å |
| 195 | A | 77.7 | Confident | 71.2 | Confident | 91 Ų | 91 | 120.5 Ų | 120.5 | 75% | 0.752 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.7 | -26.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K191 L192 | K191-A195 VanDerWaalsContact O-CB 3.31Å; K191-A195 WeakPolarHBondContact O-CB 3.39Å; K191-A195 PolarHBondContact O-N 2.98Å; L192-A195 PolarHBondContact O-N 2.92Å |
| 196 | F | 67.4 | Low | 69.2 | Low | 160 Ų | 160 | 121 Ų | 121 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 15.2 | 175.2 | -163.2 | -95.8 | 0 | 0 | 0 | 111.5 | L192 K193 E194 V198 | L192-F196 WeakPolarHBondContact O-CA 3.43Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.88Å; K193-F196 CarbonylContact O-C 3.35Å; K193-F196 PolarHBondContact O-N 3Å; E194-F196 VanDerWaalsContact C-N 3.32Å; E194-F196 PolarHBondContact O-N 3.07Å; F196-V198 HydrophobicContact CD1-CG2 4.26Å; F196-V198 HydrophobicContact CE1-CG2 3.99Å; F196-V198 HydrophobicContact CZ-CG2 4.27Å; F196-V198 PolarHBondContact O-N 3.42Å |
| 197 | V | 59.5 | Low | 67.7 | Low | 106 Ų | 106 | 120 Ų | 120 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | trans | -63.5 | 91.7 | 155.7 | 175.6 | 0 | 0 | 0 | 0 | 104.9 | K193 E194 E199 | K193-V197 WeakPolarHBondContact O-CG2 3.34Å; K193-V197 PolarHBondContact O-N 3.13Å; E194-V197 WeakPolarHBondContact O-CB 3.41Å; E194-V197 PolarHBondContact O-N 3.1Å; V197-E199 PolarHBondContact O-N 3.18Å | ||
| 198 | V | 57.2 | Low | 66.7 | Low | 98 Ų | 98 | 118.7 Ų | 118.7 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | trans | -48.1 | 114.5 | 170.8 | 176.4 | 0 | 0 | 0 | 0 | 105.2 | F196 E200 | F196-V198 HydrophobicContact CD1-CG2 4.26Å; F196-V198 HydrophobicContact CE1-CG2 3.99Å; F196-V198 HydrophobicContact CZ-CG2 4.27Å; F196-V198 PolarHBondContact O-N 3.42Å; V198-E200 PolarHBondContact O-N 3.13Å | ||
| 199 | E | 53.1 | Low | 65.7 | Low | 171 Ų | 171 | 120.7 Ų | 120.7 | 80% | 0.799 | 65% | 0.645 | S | S | * | * | trans | -45 | 112.1 | 164.4 | -71.6 | 173.7 | 163.1 | 0 | 0 | 105.6 | V197 E201 | V197-E199 PolarHBondContact O-N 3.18Å; E199-E201 PolarHBondContact O-N 2.88Å | ||
| 200 | E | 50 | Low | 65 | Low | 147 Ų | 147 | 121.7 Ų | 121.7 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | trans | -72.8 | 64.6 | -177.7 | -163.3 | 173.9 | -161.5 | 0 | 0 | 107.6 | V198 G202 V203 | V198-E200 PolarHBondContact O-N 3.13Å; E200-G202 PolarHBondContact O-N 2.64Å; E200-V203 HydrophobicContact CG-CB 4.01Å; E200-V203 HydrophobicContact CG-CG2 3.87Å; E200-V203 WeakPolarHBondContact OE1-CG2 3.46Å | ||
| 201 | E | 51.6 | Low | 64.3 | Low | 193 Ų | 193 | 123.4 Ų | 123.4 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 82.3 | 173.2 | -134.6 | -172.7 | -177.2 | 0 | 0 | 106.4 | E199 | E199-E201 PolarHBondContact O-N 2.88Š|
| 202 | G | 53.1 | Low | 63.7 | Low | 69 Ų | 69 | 119.3 Ų | 119.3 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.9 | 5.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | E200 | E200-G202 PolarHBondContact O-N 2.64Š|
| 203 | V | 44.5 | Very low | 63.5 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 58% | 0.582 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -102.9 | 106.1 | 161.1 | 179.1 | 0 | 0 | 0 | 0 | 106.4 | E200 E205 | E200-V203 HydrophobicContact CG-CB 4.01Å; E200-V203 HydrophobicContact CG-CG2 3.87Å; E200-V203 WeakPolarHBondContact OE1-CG2 3.46Å; V203-E205 PolarHBondContact O-N 3.14Å |
| 204 | G | 52.2 | Low | 63.5 | Low | 66 Ų | 66 | 117.9 Ų | 117.9 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | trans | -47.2 | 112.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T206 | G204-T206 PolarHBondContact O-N 3.4Š| ||
| 205 | E | 52.8 | Low | 63.6 | Low | 156 Ų | 156 | 114.1 Ų | 114.1 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | trans | -43 | 119.6 | 158.6 | -83.5 | -176.6 | 138.6 | 0 | 0 | 105.2 | V203 M207 | V203-E205 PolarHBondContact O-N 3.14Å; E205-M207 HydrophobicContact CB-CE 3.51Å; E205-M207 HydrophobicContact CG-CE 4.33Å; E205-M207 PolarHBondContact O-N 3.34Å; E205-M207 WeakPolarHBondContact OE2-CE 3.37Å | ||
| 206 | T | 50.6 | Low | 64 | Low | 139 Ų | 139 | 112.5 Ų | 112.5 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | trans | -63.9 | 84.1 | 164.3 | 49.9 | 0 | 0 | 0 | 0 | 105.2 | G204 T208 | G204-T206 PolarHBondContact O-N 3.4Å; T206-T208 PolarHBondContact O-N 3.41Å | ||
| 207 | M | 56.7 | Low | 64.9 | Low | 88 Ų | 88 | 108.7 Ų | 108.7 | 43% | 0.433 | 60% | 0.6 | S | S | . | * | trans | -42.2 | 131.2 | 167.3 | -68.5 | -75 | 125.5 | 0 | 0 | 105.7 | E205 E209 Q211 | E205-M207 HydrophobicContact CB-CE 3.51Å; E205-M207 HydrophobicContact CG-CE 4.33Å; E205-M207 PolarHBondContact O-N 3.34Å; E205-M207 WeakPolarHBondContact OE2-CE 3.37Å; M207-E209 PolarHBondContact O-N 2.91Å; M207-Q211 HydrophobicContact CB-CB 4.02Å; M207-Q211 HydrophobicContact SD-CB 4.19Å | ||
| 208 | T | 71.3 | Confident | 66.2 | Low | 78 Ų | 78 | 110.2 Ų | 110.2 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | trans | -51.2 | 146.9 | 171.1 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | T206 E210 Q211 S212 | T206-T208 PolarHBondContact O-N 3.41Å; T208-E210 PolarHBondContact O-N 3.5Å; T208-Q211 WeakPolarHBondContact O-CA 3.47Å; T208-Q211 WeakPolarHBondContact O-CB 3.32Å; T208-Q211 PolarHBondContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.37Å; T208-Q211 PolarHBondContact OG1-OE1 2.98Å; T208-S212 PolarHBondContact O-N 2.96Å | ||
| 209 | E | 70.5 | Confident | 67.7 | Low | 158 Ų | 158 | 105.9 Ų | 105.9 | 74% | 0.738 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -53.9 | -29 | -174.9 | -66.9 | -178.9 | 170.7 | 0 | 0 | 112.5 | M207 S212 Q213 | M207-E209 PolarHBondContact O-N 2.91Å; E209-S212 PolarHBondContact O-OG 2.92Å; E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 3.27Å; E209-Q213 PolarHBondContact O-N 3.47Å; E209-Q213 VanDerWaalsContact O-N 3.1Å |
| 210 | E | 71.8 | Confident | 69.4 | Low | 163 Ų | 163 | 98.7 Ų | 98.7 | 76% | 0.762 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.6 | -42.5 | 174.5 | -63.4 | 177.4 | 175.3 | 0 | 0 | 112.6 | T208 Q213 S214 | T208-E210 PolarHBondContact O-N 3.5Å; E210-Q213 PolarHBondContact O-N 3.39Å; E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 3.29Å |
| 211 | Q | 74.6 | Confident | 71.3 | Confident | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.2 | -73.4 | 168.8 | -32.7 | 0 | 0 | 111.3 | M207 T208 S214 F215 | M207-Q211 HydrophobicContact CB-CB 4.02Å; M207-Q211 HydrophobicContact SD-CB 4.19Å; T208-Q211 WeakPolarHBondContact O-CA 3.47Å; T208-Q211 WeakPolarHBondContact O-CB 3.32Å; T208-Q211 PolarHBondContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.37Å; T208-Q211 PolarHBondContact OG1-OE1 2.98Å; Q211-S214 PolarHBondContact O-N 3.46Å; Q211-F215 VanDerWaalsContact O-CB 3.26Å; Q211-F215 WeakPolarHBondContact O-CB 3.47Å; Q211-F215 PolarHBondContact O-N 3.39Å |
| 212 | S | 74.4 | Confident | 73.1 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 31% | 0.308 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 177.8 | 70.9 | 0 | 0 | 0 | 0 | 112 | T208 E209 F215 L216 | T208-S212 PolarHBondContact O-N 2.96Å; E209-S212 PolarHBondContact O-OG 2.92Å; S212-F215 PolarHBondContact O-N 3.16Å; S212-L216 VanDerWaalsContact O-CG 3.27Å; S212-L216 WeakPolarHBondContact O-CG 3.35Å; S212-L216 PolarHBondContact O-N 3.49Å |
| 213 | Q | 79.4 | Confident | 74.8 | Confident | 128 Ų | 128 | 85.3 Ų | 85.3 | 60% | 0.598 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.5 | -42.1 | 174.2 | -74.3 | -175.1 | 35.7 | 0 | 0 | 112.6 | E209 E210 F215 L216 T217 | E209-Q213 VanDerWaalsContact O-CG 3.31Å; E209-Q213 WeakPolarHBondContact O-CG 3.27Å; E209-Q213 PolarHBondContact O-N 3.47Å; E209-Q213 VanDerWaalsContact O-N 3.1Å; E210-Q213 PolarHBondContact O-N 3.39Å; Q213-F215 VanDerWaalsContact C-N 3.32Å; Q213-F215 PolarHBondContact O-N 3.41Å; Q213-L216 PolarHBondContact O-N 3.49Å; Q213-T217 WeakPolarHBondContact O-CB 3.44Å; Q213-T217 PolarHBondContact O-N 2.85Å; Q213-T217 PolarHBondContact O-OG1 3.15Å |
| 214 | S | 83.8 | Confident | 76.9 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | E210 Q211 T217 E218 | E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 3.29Å; Q211-S214 PolarHBondContact O-N 3.46Å; S214-T217 WeakPolarHBondContact O-CB 3.43Å; S214-T217 PolarHBondContact O-N 3.48Å; S214-E218 PolarHBondContact O-N 3.32Å |
| 215 | F | 83.6 | Confident | 78.5 | Confident | 64 Ų | 64 | 89.6 Ų | 89.6 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 177.7 | 176.9 | -86.7 | 0 | 0 | 0 | 112.9 | Q211 S212 Q213 T217 E218 F219 V238 L240 | Q211-F215 VanDerWaalsContact O-CB 3.26Å; Q211-F215 WeakPolarHBondContact O-CB 3.47Å; Q211-F215 PolarHBondContact O-N 3.39Å; S212-F215 PolarHBondContact O-N 3.16Å; Q213-F215 VanDerWaalsContact C-N 3.32Å; Q213-F215 PolarHBondContact O-N 3.41Å; F215-T217 PolarHBondContact O-N 3.26Å; F215-E218 PolarHBondContact O-N 2.85Å; F215-F219 VanDerWaalsContact O-CB 3.29Å; F215-F219 WeakPolarHBondContact O-CB 3.4Å; F215-F219 PolarHBondContact O-N 3.23Å; F215-V238 HydrophobicContact CE1-CG1 3.7Å; F215-V238 HydrophobicContact CE2-CG1 3.47Å; F215-V238 VanDerWaalsContact CE2-CG1 3.47Å; F215-V238 HydrophobicContact CZ-CB 4.37Å; F215-V238 HydrophobicContact CZ-CG1 2.95Å; F215-L240 HydrophobicContact CE1-CD1 4.15Å; F215-L240 HydrophobicContact CZ-CD1 3.9Å; F215-L240 HydrophobicContact CZ-CG 4.32Å |
| 216 | L | 85.2 | Confident | 80 | Confident | 58 Ų | 58 | 84 Ų | 84 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 176.7 | -73.8 | 172.5 | 0 | 0 | 0 | 111.5 | S212 Q213 F219 I220 | S212-L216 VanDerWaalsContact O-CG 3.27Å; S212-L216 WeakPolarHBondContact O-CG 3.35Å; S212-L216 PolarHBondContact O-N 3.49Å; Q213-L216 PolarHBondContact O-N 3.49Å; L216-F219 WeakPolarHBondContact O-CB 3.31Å; L216-F219 PolarHBondContact O-N 3.45Å; L216-I220 WeakPolarHBondContact O-CB 3.37Å; L216-I220 WeakPolarHBondContact O-CD1 3.17Å; L216-I220 WeakPolarHBondContact O-CG1 3.48Å; L216-I220 PolarHBondContact O-N 2.95Å |
| 217 | T | 87.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 49% | 0.485 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 178.2 | -56 | 0 | 0 | 0 | 0 | 111.4 | Q213 S214 F215 I220 N221 | Q213-T217 WeakPolarHBondContact O-CB 3.44Å; Q213-T217 PolarHBondContact O-N 2.85Å; Q213-T217 PolarHBondContact O-OG1 3.15Å; S214-T217 WeakPolarHBondContact O-CB 3.43Å; S214-T217 PolarHBondContact O-N 3.48Å; F215-T217 PolarHBondContact O-N 3.26Å; T217-I220 PolarHBondContact O-N 3.47Å; T217-N221 WeakPolarHBondContact O-CB 3.35Å; T217-N221 PolarHBondContact O-N 3.1Å; T217-N221 PolarHBondContact O-ND2 2.93Å; T217-N221 VanDerWaalsContact O-ND2 3.17Å |
| 218 | E | 86.5 | Confident | 83.1 | Confident | 139 Ų | 139 | 78 Ų | 78 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 175.4 | -173.9 | 172.7 | -170.9 | 0 | 0 | 111.8 | S214 F215 I220 N221 Y222 | S214-E218 PolarHBondContact O-N 3.32Å; F215-E218 PolarHBondContact O-N 2.85Å; E218-I220 PolarHBondContact O-N 3.33Å; E218-N221 PolarHBondContact O-N 2.89Å; E218-Y222 PolarHBondContact O-N 3.49Å |
| 219 | F | 88.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.4 | -48.9 | 175.5 | -177.2 | -96.2 | 0 | 0 | 0 | 112.4 | F215 L216 N221 Y222 I223 L234 V238 T245 I249 L252 | F215-F219 VanDerWaalsContact O-CB 3.29Å; F215-F219 WeakPolarHBondContact O-CB 3.4Å; F215-F219 PolarHBondContact O-N 3.23Å; L216-F219 WeakPolarHBondContact O-CB 3.31Å; L216-F219 PolarHBondContact O-N 3.45Å; F219-N221 VanDerWaalsContact C-N 3.35Å; F219-N221 PolarHBondContact O-N 3.28Å; F219-Y222 PolarHBondContact O-N 3.39Å; F219-I223 HydrophobicContact CD1-CD1 3.84Å; F219-I223 HydrophobicContact CE1-CD1 3.43Å; F219-I223 VanDerWaalsContact CE1-CD1 3.43Å; F219-I223 HydrophobicContact CZ-CD1 3.91Å; F219-I223 WeakPolarHBondContact O-CG1 3.3Å; F219-I223 PolarHBondContact O-N 2.85Å; F219-I223 VanDerWaalsContact O-N 3.16Å; F219-L234 HydrophobicContact CD2-CD1 4.02Å; F219-L234 HydrophobicContact CD2-CG 4.35Å; F219-L234 HydrophobicContact CE2-CD1 3.72Å; F219-L234 HydrophobicContact CE2-CD2 3.57Å; F219-L234 HydrophobicContact CE2-CG 3.57Å; F219-L234 HydrophobicContact CZ-CD1 4.46Å; F219-L234 HydrophobicContact CZ-CD2 3.57Å; F219-L234 HydrophobicContact CZ-CG 4.11Å; F219-V238 HydrophobicContact CD2-CG1 4.23Å; F219-V238 HydrophobicContact CD2-CG2 3.92Å; F219-V238 HydrophobicContact CE2-CG2 4.31Å; F219-T245 HydrophobicContact CE2-CG2 4.05Å; F219-T245 HydrophobicContact CZ-CG2 4.02Å; F219-I249 HydrophobicContact CE1-CG1 3.94Å; F219-I249 HydrophobicContact CZ-CD1 4.19Å; F219-I249 HydrophobicContact CZ-CG1 3.82Å; F219-L252 HydrophobicContact CD1-CD1 3.89Å; F219-L252 HydrophobicContact CE1-CD1 3.8Å |
| 220 | I | 89.4 | Confident | 85.1 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.5 | -68.8 | 161.2 | 0 | 0 | 0 | 110.7 | L216 T217 E218 Y222 I223 K224 L252 T257 I258 | L216-I220 WeakPolarHBondContact O-CB 3.37Å; L216-I220 WeakPolarHBondContact O-CD1 3.17Å; L216-I220 WeakPolarHBondContact O-CG1 3.48Å; L216-I220 PolarHBondContact O-N 2.95Å; T217-I220 PolarHBondContact O-N 3.47Å; E218-I220 PolarHBondContact O-N 3.33Å; I220-Y222 VanDerWaalsContact C-N 3.33Å; I220-Y222 PolarHBondContact O-N 3.39Å; I220-I223 PolarHBondContact O-N 3.43Å; I220-K224 HydrophobicContact CG2-CD 3.9Å; I220-K224 VanDerWaalsContact CG2-CE 3.48Å; I220-K224 HydrophobicContact CG2-CG 4.39Å; I220-K224 WeakPolarHBondContact O-CG 3.27Å; I220-K224 PolarHBondContact O-N 3.32Å; I220-L252 HydrophobicContact CD1-CD2 4Å; I220-L252 HydrophobicContact CG1-CD1 4.03Å; I220-L252 HydrophobicContact CG1-CD2 4.38Å; I220-T257 HydrophobicContact CD1-CG2 3.7Å; I220-I258 HydrophobicContact CG1-CG2 4.42Å; I220-I258 HydrophobicContact CG2-CG2 4.05Å |
| 221 | N | 89.6 | Confident | 86 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 179.3 | -73.1 | -24.5 | 0 | 0 | 0 | 111.6 | T217 E218 F219 K224 Q225 | T217-N221 WeakPolarHBondContact O-CB 3.35Å; T217-N221 PolarHBondContact O-N 3.1Å; T217-N221 PolarHBondContact O-ND2 2.93Å; T217-N221 VanDerWaalsContact O-ND2 3.17Å; E218-N221 PolarHBondContact O-N 2.89Å; F219-N221 VanDerWaalsContact C-N 3.35Å; F219-N221 PolarHBondContact O-N 3.28Å; N221-K224 PolarHBondContact O-N 2.9Å; N221-Q225 VanDerWaalsContact O-CG 3.27Å; N221-Q225 WeakPolarHBondContact O-CG 3.39Å; N221-Q225 PolarHBondContact O-N 3.49Å |
| 222 | Y | 88.4 | Confident | 86.8 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 175.8 | -178.1 | -101.5 | 0 | 0 | 0 | 111.7 | E218 F219 I220 K224 Q225 S226 V229 L234 Q237 | E218-Y222 PolarHBondContact O-N 3.49Å; F219-Y222 PolarHBondContact O-N 3.39Å; I220-Y222 VanDerWaalsContact C-N 3.33Å; I220-Y222 PolarHBondContact O-N 3.39Å; Y222-K224 VanDerWaalsContact C-N 3.31Å; Y222-K224 PolarHBondContact O-N 3.11Å; Y222-Q225 PolarHBondContact O-N 3.42Å; Y222-S226 WeakPolarHBondContact O-CB 3.36Å; Y222-S226 PolarHBondContact O-N 3.26Å; Y222-V229 HydrophobicContact CE1-CG1 3.99Å; Y222-L234 HydrophobicContact CD1-CD1 3.52Å; Y222-L234 HydrophobicContact CE1-CD1 3.84Å; Y222-Q237 VanDerWaalsContact CE1-OE1 3.23Å; Y222-Q237 PolarHBondContact OH-NE2 3.2Å; Y222-Q237 PolarHBondContact OH-OE1 2.96Å |
| 223 | I | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.1 | -68.7 | 171.8 | 0 | 0 | 0 | 111.7 | F219 I220 S226 V229 L234 I249 I258 F268 Y270 | F219-I223 HydrophobicContact CD1-CD1 3.84Å; F219-I223 HydrophobicContact CE1-CD1 3.43Å; F219-I223 VanDerWaalsContact CE1-CD1 3.43Å; F219-I223 HydrophobicContact CZ-CD1 3.91Å; F219-I223 WeakPolarHBondContact O-CG1 3.3Å; F219-I223 PolarHBondContact O-N 2.85Å; F219-I223 VanDerWaalsContact O-N 3.16Å; I220-I223 PolarHBondContact O-N 3.43Å; I223-S226 CarbonylContact O-C 3.6Å; I223-V229 HydrophobicContact CG1-CG2 4.49Å; I223-L234 HydrophobicContact CD1-CD2 4.15Å; I223-L234 HydrophobicContact CG1-CD2 4.24Å; I223-I249 HydrophobicContact CD1-CD1 4.49Å; I223-I249 HydrophobicContact CD1-CG1 4.3Å; I223-I258 HydrophobicContact CD1-CD1 4.37Å; I223-F268 HydrophobicContact CG2-CD1 3.89Å; I223-F268 HydrophobicContact CG2-CE1 3.47Å; I223-F268 VanDerWaalsContact CG2-CE1 3.47Å; I223-Y270 HydrophobicContact CG2-CD2 3.97Å; I223-Y270 HydrophobicContact CG2-CG 4.07Å |
| 224 | K | 87.8 | Confident | 88 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 178.8 | -75.4 | 175.4 | 177.3 | 174.5 | 0 | 112.5 | I220 N221 Y222 Y270 | I220-K224 HydrophobicContact CG2-CD 3.9Å; I220-K224 VanDerWaalsContact CG2-CE 3.48Å; I220-K224 HydrophobicContact CG2-CG 4.39Å; I220-K224 WeakPolarHBondContact O-CG 3.27Å; I220-K224 PolarHBondContact O-N 3.32Å; N221-K224 PolarHBondContact O-N 2.9Å; Y222-K224 VanDerWaalsContact C-N 3.31Å; Y222-K224 PolarHBondContact O-N 3.11Å; K224-Y270 HydrophobicContact CB-CE1 4.28Å; K224-Y270 HydrophobicContact CG-CD1 4.42Å; K224-Y270 HydrophobicContact CG-CE1 3.78Å; K224-Y270 HydrophobicContact CG-CE2 4.29Å |
| 225 | Q | 86.4 | Confident | 88.2 | Confident | 156 Ų | 156 | 55.2 Ų | 55.2 | 73% | 0.729 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73.5 | -47.7 | 176.9 | -70.3 | 171.3 | 18.9 | 0 | 0 | 111.1 | N221 Y222 K227 | N221-Q225 VanDerWaalsContact O-CG 3.27Å; N221-Q225 WeakPolarHBondContact O-CG 3.39Å; N221-Q225 PolarHBondContact O-N 3.49Å; Y222-Q225 PolarHBondContact O-N 3.42Å; Q225-K227 PolarHBondContact O-N 3.28Å |
| 226 | S | 83.9 | Confident | 88.4 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -92.2 | 82.4 | 179.9 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | Y222 I223 V228 V229 | Y222-S226 WeakPolarHBondContact O-CB 3.36Å; Y222-S226 PolarHBondContact O-N 3.26Å; I223-S226 CarbonylContact O-C 3.6Å; S226-V228 PolarHBondContact O-N 3.46Å; S226-V229 WeakPolarHBondContact O-CG2 3.33Å |
| 227 | K | 84.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -49.5 | -32.6 | -176.9 | -167.3 | 177.4 | -174.8 | 62.4 | 0 | 114.5 | Q225 Y270 E275 A303 W304 | Q225-K227 PolarHBondContact O-N 3.28Å; K227-Y270 VanDerWaalsContact CG-O 3.28Å; K227-Y270 WeakPolarHBondContact CG-O 3.34Å; K227-Y270 PolarHBondContact NZ-O 2.93Å; K227-Y270 VanDerWaalsContact NZ-O 3.08Å; K227-Y270 PolarHBondContact O-N 2.91Å; K227-E275 WeakPolarHBondContact CE-OE1 3.42Å; K227-E275 IonicContact NZ-OE1 2.81Å; K227-E275 PolarHBondContact NZ-OE1 3.48Å; K227-E275 IonicContact NZ-OE2 2.63Å; K227-E275 PolarHBondContact NZ-OE2 3.48Å; K227-A303 WeakPolarHBondContact CD-O 3.42Å; K227-A303 VanDerWaalsContact CE-O 3.27Å; K227-A303 WeakPolarHBondContact CE-O 3.43Å; K227-W304 HydrophobicContact CD-CB 4.09Å; K227-W304 VanDerWaalsContact CD-CD1 3.43Å; K227-W304 HydrophobicContact CD-CG 3.76Å; K227-W304 VanDerWaalsContact CE-NE1 3.28Å |
| 228 | V | 89.1 | Confident | 88 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 42% | 0.418 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.6 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | S226 I269 W304 | S226-V228 PolarHBondContact O-N 3.46Å; V228-I269 HydrophobicContact CG2-CG1 4.45Å; V228-W304 HydrophobicContact CG2-CD2 4.01Å; V228-W304 HydrophobicContact CG2-CE3 3.52Å; V228-W304 HydrophobicContact CG2-CZ3 3.91Å |
| 229 | V | 91.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.4 | -177.5 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | Y222 I223 S226 L234 F268 | Y222-V229 HydrophobicContact CE1-CG1 3.99Å; I223-V229 HydrophobicContact CG1-CG2 4.49Å; S226-V229 WeakPolarHBondContact O-CG2 3.33Å; V229-L234 HydrophobicContact CG1-CB 3.74Å; V229-L234 HydrophobicContact CG1-CD1 4.33Å; V229-L234 HydrophobicContact CG1-CD2 4.11Å; V229-L234 HydrophobicContact CG1-CG 4.3Å; V229-F268 PolarHBondContact N-O 3.13Å; V229-F268 PolarHBondContact O-N 2.95Å |
| 230 | L | 92.3 | Very high | 87.7 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.9 | 167.2 | -171.2 | 70 | 0 | 0 | 0 | 108.9 | E232 D233 L234 K267 | L230-E232 HydrophobicContact CD2-CB 4.32Å; L230-E232 HydrophobicContact CG-CB 4.37Å; L230-E232 PolarHBondContact O-N 3.26Å; L230-D233 HydrophobicContact CB-CB 4.11Å; L230-D233 PolarHBondContact O-N 2.87Å; L230-D233 VanDerWaalsContact O-N 3.15Å; L230-L234 PolarHBondContact O-N 3.45Å; L230-K267 HydrophobicContact CD1-CG 3.86Å |
| 231 | L | 90.8 | Very high | 87.7 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -32.1 | -175.4 | -68.4 | 173.2 | 0 | 0 | 0 | 112.7 | A235 T242 I246 I249 I262 G266 F268 | L231-A235 VanDerWaalsContact O-CB 3.23Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.02Å; L231-T242 HydrophobicContact CB-CG2 4.23Å; L231-I246 HydrophobicContact CD1-CD1 4.18Å; L231-I246 HydrophobicContact CD1-CG1 3.66Å; L231-I249 HydrophobicContact CD2-CD1 3.25Å; L231-I262 HydrophobicContact CD1-CG2 4.1Å; L231-G266 VanDerWaalsContact CB-O 3.31Å; L231-G266 WeakPolarHBondContact CB-O 3.42Å; L231-G266 VanDerWaalsContact CG-O 3.25Å; L231-G266 WeakPolarHBondContact CG-O 3.35Å; L231-G266 PolarHBondContact N-O 3.31Å; L231-F268 HydrophobicContact CD2-CB 4.02Å |
| 232 | E | 90.3 | Very high | 87.7 | Confident | 125 Ų | 125 | 62.4 Ų | 62.4 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.4 | -40 | 175.6 | -63.8 | 179.8 | 172.8 | 0 | 0 | 112.8 | L230 A235 S236 T242 | L230-E232 HydrophobicContact CD2-CB 4.32Å; L230-E232 HydrophobicContact CG-CB 4.37Å; L230-E232 PolarHBondContact O-N 3.26Å; E232-A235 PolarHBondContact O-N 2.96Å; E232-S236 WeakPolarHBondContact O-CB 3.36Å; E232-S236 PolarHBondContact O-N 3.24Å; E232-S236 PolarHBondContact O-OG 3.2Å; E232-T242 HydrophobicContact CG-CG2 4.1Å |
| 233 | D | 90.4 | Very high | 87.8 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 177.8 | -177.8 | 39.8 | 0 | 0 | 0 | 110.5 | L230 A235 S236 Q237 | L230-D233 HydrophobicContact CB-CB 4.11Å; L230-D233 PolarHBondContact O-N 2.87Å; L230-D233 VanDerWaalsContact O-N 3.15Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 3.38Å; D233-S236 PolarHBondContact O-N 3Å; D233-S236 VanDerWaalsContact O-N 3.16Å; D233-Q237 PolarHBondContact O-N 2.95Å |
| 234 | L | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 173.5 | -174.3 | 61.9 | 0 | 0 | 0 | 111.8 | F219 Y222 I223 V229 L230 S236 V238 T245 I249 | F219-L234 HydrophobicContact CD2-CD1 4.02Å; F219-L234 HydrophobicContact CD2-CG 4.35Å; F219-L234 HydrophobicContact CE2-CD1 3.72Å; F219-L234 HydrophobicContact CE2-CD2 3.57Å; F219-L234 HydrophobicContact CE2-CG 3.57Å; F219-L234 HydrophobicContact CZ-CD1 4.46Å; F219-L234 HydrophobicContact CZ-CD2 3.57Å; F219-L234 HydrophobicContact CZ-CG 4.11Å; Y222-L234 HydrophobicContact CD1-CD1 3.52Å; Y222-L234 HydrophobicContact CE1-CD1 3.84Å; I223-L234 HydrophobicContact CD1-CD2 4.15Å; I223-L234 HydrophobicContact CG1-CD2 4.24Å; V229-L234 HydrophobicContact CG1-CB 3.74Å; V229-L234 HydrophobicContact CG1-CD1 4.33Å; V229-L234 HydrophobicContact CG1-CD2 4.11Å; V229-L234 HydrophobicContact CG1-CG 4.3Å; L230-L234 PolarHBondContact O-N 3.45Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 2.72Å; L234-V238 HydrophobicContact CD1-CG2 4.13Å; L234-V238 WeakPolarHBondContact O-CB 3.47Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 2.88Å; L234-T245 HydrophobicContact CB-CG2 4.22Å; L234-T245 HydrophobicContact CD2-CG2 3.63Å; L234-T245 HydrophobicContact CG-CG2 3.8Å; L234-I249 HydrophobicContact CD2-CD1 3.76Å |
| 235 | A | 88.9 | Confident | 88 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L231 E232 D233 V238 G239 L240 T245 | L231-A235 VanDerWaalsContact O-CB 3.23Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.02Å; E232-A235 PolarHBondContact O-N 2.96Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 3.38Å; A235-V238 PolarHBondContact O-N 3.5Å; A235-G239 PolarHBondContact O-N 3Å; A235-L240 WeakPolarHBondContact CB-O 3.36Å; A235-L240 PolarHBondContact O-N 3.44Å; A235-T245 WeakPolarHBondContact CA-OG1 3.31Å; A235-T245 WeakPolarHBondContact CB-OG1 3.33Å |
| 236 | S | 87.6 | Confident | 88.2 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 66% | 0.657 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.2 | -43.6 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | E232 D233 L234 V238 G239 | E232-S236 WeakPolarHBondContact O-CB 3.36Å; E232-S236 PolarHBondContact O-N 3.24Å; E232-S236 PolarHBondContact O-OG 3.2Å; D233-S236 PolarHBondContact O-N 3Å; D233-S236 VanDerWaalsContact O-N 3.16Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 2.72Å; S236-V238 PolarHBondContact O-N 3.36Å; S236-G239 PolarHBondContact O-N 3.38Å |
| 237 | Q | 83.8 | Confident | 88.6 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -33.9 | 176.8 | -78.4 | 177.1 | -2.6 | 0 | 0 | 112.6 | Y222 D233 | Y222-Q237 VanDerWaalsContact CE1-OE1 3.23Å; Y222-Q237 PolarHBondContact OH-NE2 3.2Å; Y222-Q237 PolarHBondContact OH-OE1 2.96Å; D233-Q237 PolarHBondContact O-N 2.95Å |
| 238 | V | 80 | Confident | 88.9 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -95.8 | -6.8 | -171.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | F215 F219 L234 A235 S236 L240 | F215-V238 HydrophobicContact CE1-CG1 3.7Å; F215-V238 HydrophobicContact CE2-CG1 3.47Å; F215-V238 VanDerWaalsContact CE2-CG1 3.47Å; F215-V238 HydrophobicContact CZ-CB 4.37Å; F215-V238 HydrophobicContact CZ-CG1 2.95Å; F219-V238 HydrophobicContact CD2-CG1 4.23Å; F219-V238 HydrophobicContact CD2-CG2 3.92Å; F219-V238 HydrophobicContact CE2-CG2 4.31Å; L234-V238 HydrophobicContact CD1-CG2 4.13Å; L234-V238 WeakPolarHBondContact O-CB 3.47Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 2.88Å; A235-V238 PolarHBondContact O-N 3.5Å; S236-V238 PolarHBondContact O-N 3.36Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.73Å; V238-L240 HydrophobicContact CG1-CG 3.95Å; V238-L240 PolarHBondContact O-N 2.73Å |
| 239 | G | 84 | Confident | 89 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 22.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | A235 S236 | A235-G239 PolarHBondContact O-N 3Å; S236-G239 PolarHBondContact O-N 3.38Å |
| 240 | L | 86.6 | Confident | 89 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | trans | -104.3 | 160.5 | -179.8 | -67.4 | 177.5 | 0 | 0 | 0 | 111 | F215 A235 V238 | F215-L240 HydrophobicContact CE1-CD1 4.15Å; F215-L240 HydrophobicContact CZ-CD1 3.9Å; F215-L240 HydrophobicContact CZ-CG 4.32Å; A235-L240 WeakPolarHBondContact CB-O 3.36Å; A235-L240 PolarHBondContact O-N 3.44Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.73Å; V238-L240 HydrophobicContact CG1-CG 3.95Å; V238-L240 PolarHBondContact O-N 2.73Å | ||
| 241 | R | 89.1 | Confident | 89 | Confident | 191 Ų | 191 | 65 Ų | 65 | 72% | 0.721 | 34% | 0.339 | S | S | * | . | trans | -69.1 | 144.4 | 167.1 | -64.4 | 180 | 175.7 | 175.2 | 2 | 109.2 | Q243 D244 T245 | R241-Q243 PolarHBondContact O-N 2.91Å; R241-Q243 VanDerWaalsContact O-N 3.11Å; R241-D244 HydrophobicContact CB-CB 4.5Å; R241-D244 WeakPolarHBondContact CB-OD2 3.45Å; R241-D244 WeakPolarHBondContact O-CA 3.28Å; R241-D244 WeakPolarHBondContact O-CB 3.42Å; R241-D244 PolarHBondContact O-N 3.38Å; R241-T245 PolarHBondContact O-N 2.87Å; R241-T245 PolarHBondContact O-OG1 3.49Å | ||
| 242 | T | 89.6 | Confident | 89 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.7 | -37.3 | 178.7 | -43.2 | 0 | 0 | 0 | 0 | 112.9 | L231 E232 T245 I246 | L231-T242 HydrophobicContact CB-CG2 4.23Å; E232-T242 HydrophobicContact CG-CG2 4.1Å; T242-T245 PolarHBondContact O-N 3.38Å; T242-I246 HydrophobicContact CG2-CD1 4.3Å; T242-I246 WeakPolarHBondContact O-CD1 3.36Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.35Å; T242-I246 PolarHBondContact O-N 3.33Å |
| 243 | Q | 90.6 | Very high | 89.1 | Confident | 126 Ų | 126 | 62 Ų | 62 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 176.1 | -66.7 | -62.6 | -23.3 | 0 | 0 | 112.4 | R241 T245 I246 N247 | R241-Q243 PolarHBondContact O-N 2.91Å; R241-Q243 VanDerWaalsContact O-N 3.11Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; Q243-I246 WeakPolarHBondContact O-CB 3.37Å; Q243-I246 PolarHBondContact O-N 3.26Å; Q243-N247 PolarHBondContact O-N 3.33Å; Q243-N247 PolarHBondContact O-ND2 3.29Å |
| 244 | D | 90.6 | Very high | 89.2 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.3 | -37 | 178.5 | -59.3 | -27.7 | 0 | 0 | 0 | 110.7 | R241 N247 R248 | R241-D244 HydrophobicContact CB-CB 4.5Å; R241-D244 WeakPolarHBondContact CB-OD2 3.45Å; R241-D244 WeakPolarHBondContact O-CA 3.28Å; R241-D244 WeakPolarHBondContact O-CB 3.42Å; R241-D244 PolarHBondContact O-N 3.38Å; D244-N247 PolarHBondContact O-N 2.89Å; D244-R248 WeakPolarHBondContact O-CG 3.39Å; D244-R248 PolarHBondContact O-N 2.93Å |
| 245 | T | 89.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 171.5 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | F219 L234 A235 R241 T242 Q243 R248 I249 | F219-T245 HydrophobicContact CE2-CG2 4.05Å; F219-T245 HydrophobicContact CZ-CG2 4.02Å; L234-T245 HydrophobicContact CB-CG2 4.22Å; L234-T245 HydrophobicContact CD2-CG2 3.63Å; L234-T245 HydrophobicContact CG-CG2 3.8Å; A235-T245 WeakPolarHBondContact CA-OG1 3.31Å; A235-T245 WeakPolarHBondContact CB-OG1 3.33Å; R241-T245 PolarHBondContact O-N 2.87Å; R241-T245 PolarHBondContact O-OG1 3.49Å; T242-T245 PolarHBondContact O-N 3.38Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; T245-R248 PolarHBondContact O-N 2.82Å; T245-I249 HydrophobicContact CG2-CD1 4.16Å; T245-I249 WeakPolarHBondContact O-CG1 3.2Å; T245-I249 PolarHBondContact O-N 2.92Å |
| 246 | I | 90.9 | Very high | 89.1 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 176 | -70.8 | 162.5 | 0 | 0 | 0 | 110.5 | L231 T242 Q243 R248 I249 Q250 | L231-I246 HydrophobicContact CD1-CD1 4.18Å; L231-I246 HydrophobicContact CD1-CG1 3.66Å; T242-I246 HydrophobicContact CG2-CD1 4.3Å; T242-I246 WeakPolarHBondContact O-CD1 3.36Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.35Å; T242-I246 PolarHBondContact O-N 3.33Å; Q243-I246 WeakPolarHBondContact O-CB 3.37Å; Q243-I246 PolarHBondContact O-N 3.26Å; I246-R248 PolarHBondContact O-N 2.9Å; I246-I249 PolarHBondContact O-N 3.5Å; I246-Q250 HydrophobicContact CG2-CG 4.41Å; I246-Q250 WeakPolarHBondContact O-CG 3.46Å; I246-Q250 PolarHBondContact O-N 3.46Å |
| 247 | N | 92.2 | Very high | 89.2 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 179.3 | -66.2 | -24.1 | 0 | 0 | 0 | 110.9 | Q243 D244 I249 Q250 D251 | Q243-N247 PolarHBondContact O-N 3.33Å; Q243-N247 PolarHBondContact O-ND2 3.29Å; D244-N247 PolarHBondContact O-N 2.89Å; N247-I249 VanDerWaalsContact C-N 3.31Å; N247-I249 PolarHBondContact O-N 2.86Å; N247-Q250 WeakPolarHBondContact O-CB 3.45Å; N247-Q250 PolarHBondContact O-N 3.01Å; N247-Q250 VanDerWaalsContact O-N 3.07Å; N247-D251 VanDerWaalsContact O-CG 3.24Å; N247-D251 PolarHBondContact O-N 2.92Å |
| 248 | R | 89.7 | Confident | 89.5 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 32% | 0.317 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 176.4 | -73.1 | -178.7 | -175.7 | -137.5 | 10.1 | 112.9 | D244 T245 I246 D251 L252 | D244-R248 WeakPolarHBondContact O-CG 3.39Å; D244-R248 PolarHBondContact O-N 2.93Å; T245-R248 PolarHBondContact O-N 2.82Å; I246-R248 PolarHBondContact O-N 2.9Å; R248-D251 PolarHBondContact O-N 3.2Å; R248-L252 WeakPolarHBondContact O-CB 3.37Å; R248-L252 VanDerWaalsContact O-CG 3.23Å; R248-L252 WeakPolarHBondContact O-CG 3.38Å; R248-L252 PolarHBondContact O-N 3.41Å |
| 249 | I | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.5 | -72.4 | 167.6 | 0 | 0 | 0 | 110.8 | F219 I223 L231 L234 T245 I246 N247 D251 L252 L253 I258 I262 F268 | F219-I249 HydrophobicContact CE1-CG1 3.94Å; F219-I249 HydrophobicContact CZ-CD1 4.19Å; F219-I249 HydrophobicContact CZ-CG1 3.82Å; I223-I249 HydrophobicContact CD1-CD1 4.49Å; I223-I249 HydrophobicContact CD1-CG1 4.3Å; L231-I249 HydrophobicContact CD2-CD1 3.25Å; L234-I249 HydrophobicContact CD2-CD1 3.76Å; T245-I249 HydrophobicContact CG2-CD1 4.16Å; T245-I249 WeakPolarHBondContact O-CG1 3.2Å; T245-I249 PolarHBondContact O-N 2.92Å; I246-I249 PolarHBondContact O-N 3.5Å; N247-I249 VanDerWaalsContact C-N 3.31Å; N247-I249 PolarHBondContact O-N 2.86Å; I249-D251 VanDerWaalsContact C-N 3.32Å; I249-D251 PolarHBondContact O-N 3.43Å; I249-L252 PolarHBondContact O-N 3.04Å; I249-L253 HydrophobicContact CG2-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CG 4.32Å; I249-L253 WeakPolarHBondContact O-CB 3.49Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 2.91Å; I249-I258 HydrophobicContact CG2-CD1 4.24Å; I249-I262 HydrophobicContact CG2-CD1 4.28Å; I249-F268 HydrophobicContact CG2-CD2 3.87Å; I249-F268 HydrophobicContact CG2-CE2 3.77Å; I249-F268 HydrophobicContact CG2-CG 4.45Å; I249-F268 HydrophobicContact CG2-CZ 4.28Å |
| 250 | Q | 92.2 | Very high | 90.4 | Very high | 98 Ų | 98 | 63.4 Ų | 63.4 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.3 | -71.6 | 178.5 | 5.4 | 0 | 0 | 111.8 | I246 N247 L253 A254 I262 | I246-Q250 HydrophobicContact CG2-CG 4.41Å; I246-Q250 WeakPolarHBondContact O-CG 3.46Å; I246-Q250 PolarHBondContact O-N 3.46Å; N247-Q250 WeakPolarHBondContact O-CB 3.45Å; N247-Q250 PolarHBondContact O-N 3.01Å; N247-Q250 VanDerWaalsContact O-N 3.07Å; Q250-L253 WeakPolarHBondContact O-CB 3.33Å; Q250-L253 PolarHBondContact O-N 3.03Å; Q250-A254 WeakPolarHBondContact O-CB 3.4Å; Q250-A254 PolarHBondContact O-N 3.25Å; Q250-I262 HydrophobicContact CG-CD1 4.36Å |
| 251 | D | 92.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 65.3 Ų | 65.3 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.2 | -64 | -26.5 | 0 | 0 | 0 | 110.8 | N247 R248 I249 L253 A254 E255 | N247-D251 VanDerWaalsContact O-CG 3.24Å; N247-D251 PolarHBondContact O-N 2.92Å; R248-D251 PolarHBondContact O-N 3.2Å; I249-D251 VanDerWaalsContact C-N 3.32Å; I249-D251 PolarHBondContact O-N 3.43Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 PolarHBondContact O-N 2.64Å; D251-A254 WeakPolarHBondContact O-CB 3.35Å; D251-A254 PolarHBondContact O-N 3.47Å; D251-A254 VanDerWaalsContact O-N 3.07Å; D251-E255 WeakPolarHBondContact O-CG 3.4Å; D251-E255 PolarHBondContact O-N 2.9Å |
| 252 | L | 90.8 | Very high | 90.7 | Very high | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -30.5 | 176.9 | -69.8 | 170.3 | 0 | 0 | 0 | 113.3 | F219 I220 R248 I249 G256 T257 I258 | F219-L252 HydrophobicContact CD1-CD1 3.89Å; F219-L252 HydrophobicContact CE1-CD1 3.8Å; I220-L252 HydrophobicContact CD1-CD2 4Å; I220-L252 HydrophobicContact CG1-CD1 4.03Å; I220-L252 HydrophobicContact CG1-CD2 4.38Å; R248-L252 WeakPolarHBondContact O-CB 3.37Å; R248-L252 VanDerWaalsContact O-CG 3.23Å; R248-L252 WeakPolarHBondContact O-CG 3.38Å; R248-L252 PolarHBondContact O-N 3.41Å; I249-L252 PolarHBondContact O-N 3.04Å; L252-G256 PolarHBondContact O-N 3Å; L252-T257 HydrophobicContact CD2-CG2 4.2Å; L252-T257 PolarHBondContact O-N 3.36Å; L252-I258 HydrophobicContact CB-CD1 3.69Å; L252-I258 HydrophobicContact CB-CG1 3.75Å; L252-I258 HydrophobicContact CD1-CD1 4.14Å; L252-I258 PolarHBondContact O-N 3.4Å |
| 253 | L | 91.3 | Very high | 90.6 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 171.9 | -73.5 | 167 | 0 | 0 | 0 | 111.3 | I249 Q250 D251 G256 I258 I262 F268 | I249-L253 HydrophobicContact CG2-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CG 4.32Å; I249-L253 WeakPolarHBondContact O-CB 3.49Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 2.91Å; Q250-L253 WeakPolarHBondContact O-CB 3.33Å; Q250-L253 PolarHBondContact O-N 3.03Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 PolarHBondContact O-N 2.64Å; L253-G256 PolarHBondContact O-N 2.95Å; L253-I258 HydrophobicContact CD2-CG1 4.09Å; L253-I258 HydrophobicContact CG-CG1 4.21Å; L253-I262 HydrophobicContact CD1-CD1 4.39Å; L253-F268 HydrophobicContact CD1-CE2 4.19Å; L253-F268 HydrophobicContact CD2-CE2 4.26Å; L253-F268 HydrophobicContact CD2-CZ 4.36Å |
| 254 | A | 91.7 | Very high | 90.3 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.9 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q250 D251 G256 | Q250-A254 WeakPolarHBondContact O-CB 3.4Å; Q250-A254 PolarHBondContact O-N 3.25Å; D251-A254 WeakPolarHBondContact O-CB 3.35Å; D251-A254 PolarHBondContact O-N 3.47Å; D251-A254 VanDerWaalsContact O-N 3.07Å; A254-G256 PolarHBondContact O-N 3.16Å |
| 255 | E | 90 | Very high | 89.9 | Confident | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.5 | -20.5 | 172.1 | -69.6 | 175.3 | -175.4 | 0 | 0 | 112.8 | D251 T257 | D251-E255 WeakPolarHBondContact O-CG 3.4Å; D251-E255 PolarHBondContact O-N 2.9Å; E255-T257 VanDerWaalsContact C-N 3.27Å |
| 256 | G | 86.6 | Confident | 89.8 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L252 L253 A254 I258 | L252-G256 PolarHBondContact O-N 3Å; L253-G256 PolarHBondContact O-N 2.95Å; A254-G256 PolarHBondContact O-N 3.16Å; G256-I258 VanDerWaalsContact C-N 3.3Å |
| 257 | T | 89.3 | Confident | 89.8 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -66 | -35 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | I220 L252 E255 | I220-T257 HydrophobicContact CD1-CG2 3.7Å; L252-T257 HydrophobicContact CD2-CG2 4.2Å; L252-T257 PolarHBondContact O-N 3.36Å; E255-T257 VanDerWaalsContact C-N 3.27Å |
| 258 | I | 91.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -126.9 | 155.3 | 171.9 | 66.8 | -177.4 | 0 | 0 | 0 | 110.2 | I220 I223 I249 L252 L253 G256 F268 Y270 | I220-I258 HydrophobicContact CG1-CG2 4.42Å; I220-I258 HydrophobicContact CG2-CG2 4.05Å; I223-I258 HydrophobicContact CD1-CD1 4.37Å; I249-I258 HydrophobicContact CG2-CD1 4.24Å; L252-I258 HydrophobicContact CB-CD1 3.69Å; L252-I258 HydrophobicContact CB-CG1 3.75Å; L252-I258 HydrophobicContact CD1-CD1 4.14Å; L252-I258 PolarHBondContact O-N 3.4Å; L253-I258 HydrophobicContact CD2-CG1 4.09Å; L253-I258 HydrophobicContact CG-CG1 4.21Å; G256-I258 VanDerWaalsContact C-N 3.3Å; I258-F268 HydrophobicContact CD1-CE1 4.37Å; I258-F268 HydrophobicContact CD1-CZ 4.02Å; I258-F268 HydrophobicContact CG1-CZ 4.49Å; I258-Y270 HydrophobicContact CB-CD2 4.3Å; I258-Y270 HydrophobicContact CB-CE2 3.96Å; I258-Y270 HydrophobicContact CG2-CE2 4.26Å |
| 259 | T | 91.4 | Very high | 89.8 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 23% | 0.233 | 36% | 0.36 | C | S | . | . | trans | -127.6 | 131.8 | 176.2 | 41.8 | 0 | 0 | 0 | 0 | 108.7 | Y270 I271 | T259-Y270 VanDerWaalsContact O-CD2 3.23Å; T259-Y270 WeakPolarHBondContact O-CD2 3.47Å; T259-I271 WeakPolarHBondContact CB-O 3.46Å; T259-I271 PolarHBondContact O-N 3.43Å; T259-I271 PolarHBondContact OG1-O 3.39Å | ||
| 260 | G | 91 | Very high | 89.9 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 24% | 0.237 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I269 | G260-I269 CarbonylContact C-O 3.36Å; G260-I269 WeakPolarHBondContact CA-O 3.25Å |
| 261 | V | 90.3 | Very high | 89.7 | Confident | 85 Ų | 85 | 62 Ų | 62 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.8 | -179.2 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | I269 I271 | V261-I269 PolarHBondContact N-O 3.25Å; V261-I269 PolarHBondContact O-N 3.42Å; V261-I271 HydrophobicContact CG2-CD1 3.96Å |
| 262 | I | 91.1 | Very high | 89.5 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.7 | 173.7 | -58.6 | 166.6 | 0 | 0 | 0 | 108.1 | L231 I249 Q250 L253 K267 F268 | L231-I262 HydrophobicContact CD1-CG2 4.1Å; I249-I262 HydrophobicContact CG2-CD1 4.28Å; Q250-I262 HydrophobicContact CG-CD1 4.36Å; L253-I262 HydrophobicContact CD1-CD1 4.39Å; I262-K267 CarbonylContact C-O 3.52Å; I262-K267 WeakPolarHBondContact CA-O 3.29Å; I262-F268 HydrophobicContact CG1-CD2 3.74Å; I262-F268 HydrophobicContact CG1-CE2 4.37Å |
| 263 | D | 88.9 | Confident | 89.4 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | trans | -79.5 | 154.3 | 172.5 | -166.3 | 19.7 | 0 | 0 | 0 | 110.7 | R265 G266 K267 | D263-R265 PolarHBondContact O-N 2.88Å; D263-G266 PolarHBondContact O-N 3.34Å; D263-G266 VanDerWaalsContact O-N 3.07Å; D263-K267 HydrophobicContact CB-CB 4.09Å; D263-K267 PolarHBondContact N-O 2.8Å | ||
| 264 | D | 83.9 | Confident | 89.2 | Confident | 146 Ų | 146 | 67.9 Ų | 67.9 | 78% | 0.781 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.9 | 178 | 66.7 | -5.3 | 0 | 0 | 0 | 112.8 | ||
| 265 | R | 82.6 | Confident | 89 | Confident | 192 Ų | 192 | 64.8 Ų | 64.8 | 73% | 0.725 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.2 | 177.8 | -46.4 | -167.8 | 178.6 | -171.5 | -2.2 | 114.8 | D263 | D263-R265 PolarHBondContact O-N 2.88Š|
| 266 | G | 87.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 78.1 | 29.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L231 D263 | L231-G266 VanDerWaalsContact CB-O 3.31Å; L231-G266 WeakPolarHBondContact CB-O 3.42Å; L231-G266 VanDerWaalsContact CG-O 3.25Å; L231-G266 WeakPolarHBondContact CG-O 3.35Å; L231-G266 PolarHBondContact N-O 3.31Å; D263-G266 PolarHBondContact O-N 3.34Å; D263-G266 VanDerWaalsContact O-N 3.07Å |
| 267 | K | 91.6 | Very high | 89.1 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.2 | 172.5 | -64.2 | 179.9 | -178.8 | -177.4 | 0 | 109.9 | L230 I262 D263 | L230-K267 HydrophobicContact CD1-CG 3.86Å; I262-K267 CarbonylContact C-O 3.52Å; I262-K267 WeakPolarHBondContact CA-O 3.29Å; D263-K267 HydrophobicContact CB-CB 4.09Å; D263-K267 PolarHBondContact N-O 2.8Å |
| 268 | F | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.2 | 170.6 | -178.1 | -105.3 | 0 | 0 | 0 | 110 | I223 V229 L231 I249 L253 I258 I262 Y270 | I223-F268 HydrophobicContact CG2-CD1 3.89Å; I223-F268 HydrophobicContact CG2-CE1 3.47Å; I223-F268 VanDerWaalsContact CG2-CE1 3.47Å; V229-F268 PolarHBondContact N-O 3.13Å; V229-F268 PolarHBondContact O-N 2.95Å; L231-F268 HydrophobicContact CD2-CB 4.02Å; I249-F268 HydrophobicContact CG2-CD2 3.87Å; I249-F268 HydrophobicContact CG2-CE2 3.77Å; I249-F268 HydrophobicContact CG2-CG 4.45Å; I249-F268 HydrophobicContact CG2-CZ 4.28Å; L253-F268 HydrophobicContact CD1-CE2 4.19Å; L253-F268 HydrophobicContact CD2-CE2 4.26Å; L253-F268 HydrophobicContact CD2-CZ 4.36Å; I258-F268 HydrophobicContact CD1-CE1 4.37Å; I258-F268 HydrophobicContact CD1-CZ 4.02Å; I258-F268 HydrophobicContact CG1-CZ 4.49Å; I262-F268 HydrophobicContact CG1-CD2 3.74Å; I262-F268 HydrophobicContact CG1-CE2 4.37Å; F268-Y270 HydrophobicContact CE1-CD2 4.32Å |
| 269 | I | 90 | Very high | 88.9 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 17% | 0.169 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.4 | 174.5 | -62.5 | 155.6 | 0 | 0 | 0 | 108 | V228 G260 V261 I271 W304 | V228-I269 HydrophobicContact CG2-CG1 4.45Å; G260-I269 CarbonylContact C-O 3.36Å; G260-I269 WeakPolarHBondContact CA-O 3.25Å; V261-I269 PolarHBondContact N-O 3.25Å; V261-I269 PolarHBondContact O-N 3.42Å; I269-I271 HydrophobicContact CG2-CG1 4.26Å; I269-W304 HydrophobicContact CB-CZ2 4.48Å; I269-W304 HydrophobicContact CD1-CH2 3.47Å; I269-W304 VanDerWaalsContact CD1-CH2 3.47Å; I269-W304 HydrophobicContact CD1-CZ2 4.1Å; I269-W304 HydrophobicContact CD1-CZ3 4.22Å; I269-W304 HydrophobicContact CG1-CH2 3.92Å; I269-W304 HydrophobicContact CG1-CZ2 4.35Å; I269-W304 HydrophobicContact CG1-CZ3 4.41Å; I269-W304 HydrophobicContact CG2-CH2 3.85Å; I269-W304 HydrophobicContact CG2-CZ2 3.4Å |
| 270 | Y | 91.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.3 | 173.2 | -176.9 | -110.6 | 0 | 0 | 0 | 110.8 | I223 K224 K227 I258 T259 F268 T272 | I223-Y270 HydrophobicContact CG2-CD2 3.97Å; I223-Y270 HydrophobicContact CG2-CG 4.07Å; K224-Y270 HydrophobicContact CB-CE1 4.28Å; K224-Y270 HydrophobicContact CG-CD1 4.42Å; K224-Y270 HydrophobicContact CG-CE1 3.78Å; K224-Y270 HydrophobicContact CG-CE2 4.29Å; K227-Y270 VanDerWaalsContact CG-O 3.28Å; K227-Y270 WeakPolarHBondContact CG-O 3.34Å; K227-Y270 PolarHBondContact NZ-O 2.93Å; K227-Y270 VanDerWaalsContact NZ-O 3.08Å; K227-Y270 PolarHBondContact O-N 2.91Å; I258-Y270 HydrophobicContact CB-CD2 4.3Å; I258-Y270 HydrophobicContact CB-CE2 3.96Å; I258-Y270 HydrophobicContact CG2-CE2 4.26Å; T259-Y270 VanDerWaalsContact O-CD2 3.23Å; T259-Y270 WeakPolarHBondContact O-CD2 3.47Å; F268-Y270 HydrophobicContact CE1-CD2 4.32Å; Y270-T272 HydrophobicContact CE1-CG2 4.05Å |
| 271 | I | 89.3 | Confident | 88.8 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | trans | -114.6 | 125.4 | 178.6 | -58.1 | 176.3 | 0 | 0 | 0 | 106.8 | T259 V261 I269 E275 L276 | T259-I271 WeakPolarHBondContact CB-O 3.46Å; T259-I271 PolarHBondContact O-N 3.43Å; T259-I271 PolarHBondContact OG1-O 3.39Å; V261-I271 HydrophobicContact CG2-CD1 3.96Å; I269-I271 HydrophobicContact CG2-CG1 4.26Å; I271-E275 HydrophobicContact CG2-CB 3.76Å; I271-L276 HydrophobicContact CG2-CB 4.16Å | ||
| 272 | T | 88.9 | Confident | 88.7 | Confident | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | trans | -70.1 | 153.3 | 177.7 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | Y270 E274 E275 L276 | Y270-T272 HydrophobicContact CE1-CG2 4.05Å; T272-E274 PolarHBondContact O-N 3.47Å; T272-E274 VanDerWaalsContact O-N 3.16Å; T272-E275 PolarHBondContact N-OE2 2.99Å; T272-E275 PolarHBondContact O-N 3.34Å; T272-E275 VanDerWaalsContact O-N 3.11Å; T272-E275 WeakPolarHBondContact OG1-CG 3.46Å; T272-E275 PolarHBondContact OG1-N 3.06Å; T272-E275 PolarHBondContact OG1-OE2 3.47Å; T272-L276 PolarHBondContact O-N 3.46Å | ||
| 273 | P | 87.3 | Confident | 88.7 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -30.3 | 176 | 21.8 | -33.6 | 0 | 0 | 0 | 112.5 | A277 | P273-A277 WeakPolarHBondContact O-CB 3.46Å; P273-A277 PolarHBondContact O-N 3.34Å |
| 274 | E | 87.9 | Confident | 88.8 | Confident | 159 Ų | 159 | 67.3 Ų | 67.3 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.8 | -45.6 | 175.3 | -62.1 | -179 | 178.3 | 0 | 0 | 112.2 | T272 A277 A278 | T272-E274 PolarHBondContact O-N 3.47Å; T272-E274 VanDerWaalsContact O-N 3.16Å; E274-A277 PolarHBondContact O-N 3.36Å; E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.37Å |
| 275 | E | 87.4 | Confident | 89.1 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.3 | -70.4 | 169.7 | 149.7 | 0 | 0 | 111.1 | K227 I271 T272 A277 A278 V279 I302 A303 | K227-E275 WeakPolarHBondContact CE-OE1 3.42Å; K227-E275 IonicContact NZ-OE1 2.81Å; K227-E275 PolarHBondContact NZ-OE1 3.48Å; K227-E275 IonicContact NZ-OE2 2.63Å; K227-E275 PolarHBondContact NZ-OE2 3.48Å; I271-E275 HydrophobicContact CG2-CB 3.76Å; T272-E275 PolarHBondContact N-OE2 2.99Å; T272-E275 PolarHBondContact O-N 3.34Å; T272-E275 VanDerWaalsContact O-N 3.11Å; T272-E275 WeakPolarHBondContact OG1-CG 3.46Å; T272-E275 PolarHBondContact OG1-N 3.06Å; T272-E275 PolarHBondContact OG1-OE2 3.47Å; E275-A277 VanDerWaalsContact C-N 3.31Å; E275-A277 PolarHBondContact O-N 2.85Å; E275-A278 WeakPolarHBondContact O-CB 3.43Å; E275-A278 PolarHBondContact O-N 3.13Å; E275-V279 WeakPolarHBondContact O-CG2 3.32Å; E275-V279 PolarHBondContact O-N 3.05Å; E275-I302 HydrophobicContact CB-CG2 4.39Å; E275-I302 VanDerWaalsContact CD-CG2 3.5Å; E275-I302 HydrophobicContact CG-CG2 4.29Å; E275-I302 WeakPolarHBondContact OE1-CG2 3.49Å; E275-I302 WeakPolarHBondContact OE2-CG2 3.49Å; E275-A303 PolarHBondContact OE1-N 3.01Å |
| 276 | L | 88.6 | Confident | 89.3 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.5 | -171.7 | 71.3 | 0 | 0 | 0 | 111.1 | I271 T272 V279 A280 | I271-L276 HydrophobicContact CG2-CB 4.16Å; T272-L276 PolarHBondContact O-N 3.46Å; L276-V279 PolarHBondContact O-N 3.09Å; L276-A280 WeakPolarHBondContact O-CB 3.35Å; L276-A280 PolarHBondContact O-N 3.09Å |
| 277 | A | 89.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P273 E274 E275 A280 N281 | P273-A277 WeakPolarHBondContact O-CB 3.46Å; P273-A277 PolarHBondContact O-N 3.34Å; E274-A277 PolarHBondContact O-N 3.36Å; E275-A277 VanDerWaalsContact C-N 3.31Å; E275-A277 PolarHBondContact O-N 2.85Å; A277-A280 PolarHBondContact O-N 2.9Å; A277-N281 WeakPolarHBondContact O-CB 3.33Å; A277-N281 PolarHBondContact O-N 3.05Å; A277-N281 PolarHBondContact O-ND2 3.42Å |
| 278 | A | 88.7 | Confident | 89.2 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E274 E275 N281 F282 L301 | E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.37Å; E275-A278 WeakPolarHBondContact O-CB 3.43Å; E275-A278 PolarHBondContact O-N 3.13Å; A278-N281 PolarHBondContact O-N 2.9Å; A278-F282 WeakPolarHBondContact O-CB 3.47Å; A278-F282 PolarHBondContact O-N 3.07Å; A278-L301 HydrophobicContact CB-CD2 4.17Å |
| 279 | V | 88.2 | Confident | 89 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 173.7 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | E275 L276 N281 F282 I283 L294 L301 I302 | E275-V279 WeakPolarHBondContact O-CG2 3.32Å; E275-V279 PolarHBondContact O-N 3.05Å; L276-V279 PolarHBondContact O-N 3.09Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 3.22Å; V279-F282 WeakPolarHBondContact O-CB 3.45Å; V279-F282 PolarHBondContact O-N 2.86Å; V279-I283 HydrophobicContact CG1-CD1 4.03Å; V279-I283 WeakPolarHBondContact O-CG1 3.39Å; V279-I283 PolarHBondContact O-N 3.03Å; V279-L294 HydrophobicContact CG1-CD1 4.13Å; V279-L301 HydrophobicContact CG2-CB 4.12Å; V279-L301 HydrophobicContact CG2-CD1 4.06Å; V279-I302 HydrophobicContact CG2-CD1 4.43Å; V279-I302 HydrophobicContact CG2-CG1 4.27Å |
| 280 | A | 89.9 | Confident | 89.1 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 26% | 0.256 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L276 A277 I283 R284 | L276-A280 WeakPolarHBondContact O-CB 3.35Å; L276-A280 PolarHBondContact O-N 3.09Å; A277-A280 PolarHBondContact O-N 2.9Å; A280-I283 PolarHBondContact O-N 3.46Å; A280-R284 VanDerWaalsContact O-CG 3.3Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 3.21Å |
| 281 | N | 90.5 | Very high | 88.9 | Confident | 74 Ų | 74 | 83.4 Ų | 83.4 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66 | -41 | 176.8 | -73 | -22.8 | 0 | 0 | 0 | 111.7 | A277 A278 V279 I283 R284 Q285 | A277-N281 WeakPolarHBondContact O-CB 3.33Å; A277-N281 PolarHBondContact O-N 3.05Å; A277-N281 PolarHBondContact O-ND2 3.42Å; A278-N281 PolarHBondContact O-N 2.9Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 3.22Å; N281-I283 VanDerWaalsContact C-N 3.34Å; N281-I283 PolarHBondContact O-N 3.43Å; N281-R284 PolarHBondContact O-N 3.29Å; N281-Q285 WeakPolarHBondContact O-CB 3.48Å; N281-Q285 VanDerWaalsContact O-CG 3.25Å; N281-Q285 WeakPolarHBondContact O-CG 3.44Å; N281-Q285 PolarHBondContact O-N 3.02Å |
| 282 | F | 88.7 | Confident | 88.9 | Confident | 28 Ų | 28 | 86 Ų | 86 | 12% | 0.123 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.3 | 175.8 | -100.7 | 0 | 0 | 0 | 111.9 | A278 V279 Q285 R286 V289 L294 A297 L301 | A278-F282 WeakPolarHBondContact O-CB 3.47Å; A278-F282 PolarHBondContact O-N 3.07Å; V279-F282 WeakPolarHBondContact O-CB 3.45Å; V279-F282 PolarHBondContact O-N 2.86Å; F282-Q285 PolarHBondContact O-N 3.01Å; F282-R286 VanDerWaalsContact CE2-NH1 3.33Å; F282-R286 PolarHBondContact O-N 3.38Å; F282-V289 HydrophobicContact CE1-CG1 3.88Å; F282-L294 HydrophobicContact CD1-CD1 4.08Å; F282-L294 HydrophobicContact CE1-CD1 4.18Å; F282-A297 HydrophobicContact CD1-CB 4.15Å; F282-A297 HydrophobicContact CD2-CB 4.33Å; F282-A297 HydrophobicContact CE1-CB 3.56Å; F282-A297 HydrophobicContact CE2-CB 3.77Å; F282-A297 HydrophobicContact CG-CB 4.49Å; F282-A297 HydrophobicContact CZ-CB 3.34Å; F282-L301 HydrophobicContact CB-CD1 3.91Å; F282-L301 HydrophobicContact CD1-CD1 4.45Å; F282-L301 HydrophobicContact CG-CD1 4.07Å |
| 283 | I | 90.5 | Very high | 88.8 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 35% | 0.349 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 177 | -65.6 | 167.7 | 0 | 0 | 0 | 110.7 | V279 A280 N281 Q285 R286 G287 L294 | V279-I283 HydrophobicContact CG1-CD1 4.03Å; V279-I283 WeakPolarHBondContact O-CG1 3.39Å; V279-I283 PolarHBondContact O-N 3.03Å; A280-I283 PolarHBondContact O-N 3.46Å; N281-I283 VanDerWaalsContact C-N 3.34Å; N281-I283 PolarHBondContact O-N 3.43Å; I283-Q285 PolarHBondContact O-N 2.96Å; I283-R286 PolarHBondContact O-N 3.04Å; I283-G287 WeakPolarHBondContact O-CA 3.24Å; I283-G287 PolarHBondContact O-N 2.97Å; I283-L294 HydrophobicContact CD1-CD1 4.23Å; I283-L294 HydrophobicContact CG1-CD1 4.12Å |
| 284 | R | 91.4 | Very high | 88.8 | Confident | 190 Ų | 190 | 86.2 Ų | 86.2 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 179.4 | -73.3 | 173.8 | -174.5 | 155.4 | -0.2 | 112.9 | A280 N281 | A280-R284 VanDerWaalsContact O-CG 3.3Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 3.21Å; N281-R284 PolarHBondContact O-N 3.29Å |
| 285 | Q | 89.9 | Confident | 88.7 | Confident | 166 Ų | 166 | 81.2 Ų | 81.2 | 78% | 0.776 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.3 | -38.1 | -179.4 | -74.4 | 174.6 | 7.7 | 0 | 0 | 112.6 | N281 F282 I283 | N281-Q285 WeakPolarHBondContact O-CB 3.48Å; N281-Q285 VanDerWaalsContact O-CG 3.25Å; N281-Q285 WeakPolarHBondContact O-CG 3.44Å; N281-Q285 PolarHBondContact O-N 3.02Å; F282-Q285 PolarHBondContact O-N 3.01Å; I283-Q285 PolarHBondContact O-N 2.96Å |
| 286 | R | 86.4 | Confident | 88.5 | Confident | 147 Ų | 147 | 87.3 Ų | 87.3 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -88 | -21.2 | 179 | -71.5 | -148 | 169.8 | 139.1 | 5.7 | 114.1 | F282 I283 R288 V289 | F282-R286 VanDerWaalsContact CE2-NH1 3.33Å; F282-R286 PolarHBondContact O-N 3.38Å; I283-R286 PolarHBondContact O-N 3.04Å; R286-R288 PolarHBondContact O-N 3.24Å; R286-V289 HydrophobicContact CB-CG2 3.7Å |
| 287 | G | 87.8 | Confident | 88.3 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 71.6 | -84.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I283 | I283-G287 WeakPolarHBondContact O-CA 3.24Å; I283-G287 PolarHBondContact O-N 2.97Å |
| 288 | R | 88.9 | Confident | 87.9 | Confident | 240 Ų | 240 | 82.8 Ų | 82.8 | 91% | 0.906 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -92.2 | 116.3 | 178.1 | -63.9 | -177.3 | -178.2 | -168.2 | 0.2 | 109.3 | R286 | R286-R288 PolarHBondContact O-N 3.24Š|
| 289 | V | 89 | Confident | 87.6 | Confident | 41 Ų | 41 | 87.9 Ų | 87.9 | 25% | 0.248 | 46% | 0.455 | C | S | . | . | trans | -122.3 | 131.3 | -178.8 | -172.5 | 0 | 0 | 0 | 0 | 109 | F282 R286 E293 L294 | F282-V289 HydrophobicContact CE1-CG1 3.88Å; R286-V289 HydrophobicContact CB-CG2 3.7Å; V289-E293 HydrophobicContact CG1-CB 4.01Å; V289-L294 HydrophobicContact CG1-CB 4.04Å | ||
| 290 | S | 90.3 | Very high | 87.2 | Confident | 50 Ų | 50 | 91.9 Ų | 91.9 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | trans | -77.8 | 152.1 | 172.1 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | A292 E293 L294 | S290-A292 PolarHBondContact O-N 3.46Å; S290-E293 PolarHBondContact O-N 3.32Å; S290-E293 VanDerWaalsContact O-N 3.15Å; S290-E293 WeakPolarHBondContact OG-CB 3.24Å; S290-E293 VanDerWaalsContact OG-CD 3.26Å; S290-E293 VanDerWaalsContact OG-CG 3.27Å; S290-E293 WeakPolarHBondContact OG-CG 3.41Å; S290-E293 PolarHBondContact OG-N 3.46Å; S290-E293 PolarHBondContact OG-OE1 3.23Å; S290-L294 PolarHBondContact O-N 3.08Å | ||
| 291 | I | 88.2 | Confident | 86.7 | Confident | 151 Ų | 151 | 92.8 Ų | 92.8 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.7 | -35.8 | 178.5 | -63.6 | 167.7 | 0 | 0 | 0 | 111 | L294 A295 | I291-L294 PolarHBondContact O-N 3.1Å; I291-A295 WeakPolarHBondContact O-CB 3.44Å; I291-A295 PolarHBondContact O-N 3.36Å |
| 292 | A | 89.1 | Confident | 86.2 | Confident | 74 Ų | 74 | 90.3 Ų | 90.3 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S290 A295 Q296 | S290-A292 PolarHBondContact O-N 3.46Å; A292-A295 PolarHBondContact O-N 3.46Å; A292-Q296 PolarHBondContact O-N 3.06Å |
| 293 | E | 86.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 175.7 | -76.2 | 164.9 | -123.5 | 0 | 0 | 112 | V289 S290 Q296 A297 | V289-E293 HydrophobicContact CG1-CB 4.01Å; S290-E293 PolarHBondContact O-N 3.32Å; S290-E293 VanDerWaalsContact O-N 3.15Å; S290-E293 WeakPolarHBondContact OG-CB 3.24Å; S290-E293 VanDerWaalsContact OG-CD 3.26Å; S290-E293 VanDerWaalsContact OG-CG 3.27Å; S290-E293 WeakPolarHBondContact OG-CG 3.41Å; S290-E293 PolarHBondContact OG-N 3.46Å; S290-E293 PolarHBondContact OG-OE1 3.23Å; E293-Q296 PolarHBondContact O-N 3.46Å; E293-A297 WeakPolarHBondContact O-CB 3.34Å; E293-A297 PolarHBondContact O-N 2.86Å |
| 294 | L | 87.9 | Confident | 84 | Confident | 52 Ų | 52 | 94.2 Ų | 94.2 | 27% | 0.272 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.8 | -172.2 | 65.3 | 0 | 0 | 0 | 110.3 | V279 F282 I283 V289 S290 I291 Q296 A297 S298 | V279-L294 HydrophobicContact CG1-CD1 4.13Å; F282-L294 HydrophobicContact CD1-CD1 4.08Å; F282-L294 HydrophobicContact CE1-CD1 4.18Å; I283-L294 HydrophobicContact CD1-CD1 4.23Å; I283-L294 HydrophobicContact CG1-CD1 4.12Å; V289-L294 HydrophobicContact CG1-CB 4.04Å; S290-L294 PolarHBondContact O-N 3.08Å; I291-L294 PolarHBondContact O-N 3.1Å; L294-Q296 VanDerWaalsContact C-N 3.33Å; L294-Q296 PolarHBondContact O-N 2.82Å; L294-A297 PolarHBondContact O-N 3.32Å; L294-S298 VanDerWaalsContact O-CB 3.28Å; L294-S298 WeakPolarHBondContact O-CB 3.31Å; L294-S298 PolarHBondContact O-N 3.13Å; L294-S298 PolarHBondContact O-OG 2.83Å |
| 295 | A | 85.6 | Confident | 82.2 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I291 A292 S298 N299 | I291-A295 WeakPolarHBondContact O-CB 3.44Å; I291-A295 PolarHBondContact O-N 3.36Å; A292-A295 PolarHBondContact O-N 3.46Å; A295-S298 PolarHBondContact O-N 3.49Å; A295-N299 PolarHBondContact O-N 3.3Å |
| 296 | Q | 83.9 | Confident | 80.3 | Confident | 150 Ų | 150 | 91.5 Ų | 91.5 | 70% | 0.701 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 176.6 | -170.5 | 178.5 | 10 | 0 | 0 | 112.1 | A292 E293 L294 | A292-Q296 PolarHBondContact O-N 3.06Å; E293-Q296 PolarHBondContact O-N 3.46Å; L294-Q296 VanDerWaalsContact C-N 3.33Å; L294-Q296 PolarHBondContact O-N 2.82Å |
| 297 | A | 83.2 | Confident | 78.2 | Confident | 15 Ų | 15 | 93.3 Ų | 93.3 | 12% | 0.124 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F282 E293 L294 N299 S300 L301 | F282-A297 HydrophobicContact CD1-CB 4.15Å; F282-A297 HydrophobicContact CD2-CB 4.33Å; F282-A297 HydrophobicContact CE1-CB 3.56Å; F282-A297 HydrophobicContact CE2-CB 3.77Å; F282-A297 HydrophobicContact CG-CB 4.49Å; F282-A297 HydrophobicContact CZ-CB 3.34Å; E293-A297 WeakPolarHBondContact O-CB 3.34Å; E293-A297 PolarHBondContact O-N 2.86Å; L294-A297 PolarHBondContact O-N 3.32Å; A297-N299 VanDerWaalsContact C-N 3.27Å; A297-N299 PolarHBondContact O-N 3.08Å; A297-S300 WeakPolarHBondContact O-CA 3.5Å; A297-S300 WeakPolarHBondContact O-CB 3.43Å; A297-S300 PolarHBondContact O-N 3.36Å; A297-L301 HydrophobicContact CB-CD1 4.13Å; A297-L301 VanDerWaalsContact O-CG 3.3Å; A297-L301 WeakPolarHBondContact O-CG 3.38Å; A297-L301 PolarHBondContact O-N 3.21Å |
| 298 | S | 81.5 | Confident | 76.2 | Confident | 26 Ų | 26 | 96.4 Ų | 96.4 | 18% | 0.182 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -58.3 | -36.3 | 179.7 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | L294 A295 S300 L301 I302 | L294-S298 VanDerWaalsContact O-CB 3.28Å; L294-S298 WeakPolarHBondContact O-CB 3.31Å; L294-S298 PolarHBondContact O-N 3.13Å; L294-S298 PolarHBondContact O-OG 2.83Å; A295-S298 PolarHBondContact O-N 3.49Å; S298-S300 PolarHBondContact O-N 2.78Å; S298-L301 PolarHBondContact O-N 3.09Å; S298-I302 WeakPolarHBondContact O-CB 3.42Å; S298-I302 WeakPolarHBondContact O-CG1 3.44Å; S298-I302 PolarHBondContact O-N 3.29Å |
| 299 | N | 81.9 | Confident | 74 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -24.6 | 174.8 | -68.9 | -22.5 | 0 | 0 | 0 | 113.4 | A295 A297 | A295-N299 PolarHBondContact O-N 3.3Å; A297-N299 VanDerWaalsContact C-N 3.27Å; A297-N299 PolarHBondContact O-N 3.08Å |
| 300 | S | 80.1 | Confident | 71.7 | Confident | 106 Ų | 106 | 93.4 Ų | 93.4 | 74% | 0.741 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -91.9 | -31.7 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | A297 S298 | A297-S300 WeakPolarHBondContact O-CA 3.5Å; A297-S300 WeakPolarHBondContact O-CB 3.43Å; A297-S300 PolarHBondContact O-N 3.36Å; S298-S300 PolarHBondContact O-N 2.78Å |
| 301 | L | 78.9 | Confident | 69.4 | Low | 50 Ų | 50 | 100 Ų | 100 | 26% | 0.262 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -85.9 | -26.4 | -175.4 | -65.1 | 172.4 | 0 | 0 | 0 | 113.1 | A278 V279 F282 A297 S298 | A278-L301 HydrophobicContact CB-CD2 4.17Å; V279-L301 HydrophobicContact CG2-CB 4.12Å; V279-L301 HydrophobicContact CG2-CD1 4.06Å; F282-L301 HydrophobicContact CB-CD1 3.91Å; F282-L301 HydrophobicContact CD1-CD1 4.45Å; F282-L301 HydrophobicContact CG-CD1 4.07Å; A297-L301 HydrophobicContact CB-CD1 4.13Å; A297-L301 VanDerWaalsContact O-CG 3.3Å; A297-L301 WeakPolarHBondContact O-CG 3.38Å; A297-L301 PolarHBondContact O-N 3.21Å; S298-L301 PolarHBondContact O-N 3.09Å |
| 302 | I | 79.9 | Confident | 67 | Low | 22 Ų | 22 | 97.1 Ų | 97.1 | 11% | 0.113 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -116 | 101.6 | -179.6 | -37.6 | 178.3 | 0 | 0 | 0 | 107.3 | E275 V279 S298 W304 | E275-I302 HydrophobicContact CB-CG2 4.39Å; E275-I302 VanDerWaalsContact CD-CG2 3.5Å; E275-I302 HydrophobicContact CG-CG2 4.29Å; E275-I302 WeakPolarHBondContact OE1-CG2 3.49Å; E275-I302 WeakPolarHBondContact OE2-CG2 3.49Å; V279-I302 HydrophobicContact CG2-CD1 4.43Å; V279-I302 HydrophobicContact CG2-CG1 4.27Å; S298-I302 WeakPolarHBondContact O-CB 3.42Å; S298-I302 WeakPolarHBondContact O-CG1 3.44Å; S298-I302 PolarHBondContact O-N 3.29Å; I302-W304 PolarHBondContact O-N 2.96Å |
| 303 | A | 68.4 | Low | 65.3 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 58% | 0.58 | S | S | . | * | trans | -86.5 | 109.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | K227 E275 R306 | K227-A303 WeakPolarHBondContact CD-O 3.42Å; K227-A303 VanDerWaalsContact CE-O 3.27Å; K227-A303 WeakPolarHBondContact CE-O 3.43Å; E275-A303 PolarHBondContact OE1-N 3.01Å; A303-R306 HydrophobicContact CB-CB 4.49Å | ||
| 304 | W | 64.7 | Low | 63.3 | Low | 129 Ų | 129 | 104.3 Ų | 104.3 | 49% | 0.489 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -103.7 | 107.9 | 177.5 | -56.5 | 13.2 | 0 | 0 | 0 | 107.2 | K227 V228 I269 I302 | K227-W304 HydrophobicContact CD-CB 4.09Å; K227-W304 VanDerWaalsContact CD-CD1 3.43Å; K227-W304 HydrophobicContact CD-CG 3.76Å; K227-W304 VanDerWaalsContact CE-NE1 3.28Å; V228-W304 HydrophobicContact CG2-CD2 4.01Å; V228-W304 HydrophobicContact CG2-CE3 3.52Å; V228-W304 HydrophobicContact CG2-CZ3 3.91Å; I269-W304 HydrophobicContact CB-CZ2 4.48Å; I269-W304 HydrophobicContact CD1-CH2 3.47Å; I269-W304 VanDerWaalsContact CD1-CH2 3.47Å; I269-W304 HydrophobicContact CD1-CZ2 4.1Å; I269-W304 HydrophobicContact CD1-CZ3 4.22Å; I269-W304 HydrophobicContact CG1-CH2 3.92Å; I269-W304 HydrophobicContact CG1-CZ2 4.35Å; I269-W304 HydrophobicContact CG1-CZ3 4.41Å; I269-W304 HydrophobicContact CG2-CH2 3.85Å; I269-W304 HydrophobicContact CG2-CZ2 3.4Å; I302-W304 PolarHBondContact O-N 2.96Å |
| 305 | G | 54.4 | Low | 62.1 | Low | 84 Ų | 84 | 107 Ų | 107 | 87% | 0.866 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 94.5 | 20.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 306 | R | 49.5 | Very low | 60.9 | Low | 216 Ų | 216 | 109.7 Ų | 109.7 | 82% | 0.815 | 66% | 0.66 | S | S | * | * | trans | -107 | 130.5 | 161.6 | -71.8 | -169.8 | -177.5 | -169.5 | 1.8 | 109.1 | A303 | A303-R306 HydrophobicContact CB-CB 4.49Š| ||
| 307 | E | 42.7 | Very low | 59.6 | Low | 185 Ų | 185 | 107.5 Ų | 107.5 | 86% | 0.864 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.7 | 167.4 | -83.5 | 176.6 | 147.6 | 0 | 0 | 109.6 | ||
| 308 | P | 46.4 | Very low | 58.2 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.1 | 173.4 | 24.8 | -32.3 | 0 | 0 | 0 | 108.4 | A310 | P308-A310 PolarHBondContact O-N 3.09Š|
| 309 | P | 41.8 | Very low | 56.8 | Low | 121 Ų | 121 | 118.4 Ų | 118.4 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120.7 | 174.4 | 23.9 | -31.5 | 0 | 0 | 0 | 107.8 | Q311 | P309-Q311 PolarHBondContact O-N 2.86Š|
| 310 | A | 40.9 | Very low | 55.1 | Low | 98 Ų | 98 | 117 Ų | 117 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 117.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P308 A312 | P308-A310 PolarHBondContact O-N 3.09Å; A310-A312 PolarHBondContact O-N 3.14Å |
| 311 | Q | 42.6 | Very low | 53.3 | Low | 189 Ų | 189 | 117.8 Ų | 117.8 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.4 | 175.4 | -68.3 | -177.1 | 18.9 | 0 | 0 | 107.3 | P309 | P309-Q311 PolarHBondContact O-N 2.86Š|
| 312 | A | 37.8 | Very low | 51.3 | Low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | A310 A314 | A310-A312 PolarHBondContact O-N 3.14Å; A312-A314 PolarHBondContact O-N 2.94Å |
| 313 | P | 52 | Low | 48.9 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 126.5 | 176.5 | 27 | -32.3 | 0 | 0 | 0 | 108.8 | ||
| 314 | A | 46.1 | Very low | 47.2 | Very low | 173 Ų | 173 | 139 Ų | 139 | 100% | 1.43 | 84% | 0.843 | S | S | * | * | trans | -71 | 0 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | A312 | A312-A314 PolarHBondContact O-N 2.94Š|
Retrieved 314 of 314 residues in 668.9 ms
(Link to these results)