| 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 | 55.1 | Low | 77.8 | Confident | 214 Ų | 214 | 102.8 Ų | 102.8 | 100% | 1.054 | 62% | 0.615 | S | S | * | * | 0 | 111.1 | 0 | -78.4 | 145.6 | 74.2 | 0 | 0 | 108.2 | |||||
| 2 | S | 69.1 | Low | 78.4 | Confident | 67 Ų | 67 | 97.7 Ų | 97.7 | 47% | 0.469 | 60% | 0.599 | S | S | . | * | trans | -65.2 | 145.9 | -174.9 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | T4 S5 | S2-T4 PolarHBondContact O-N 3.29Å; S2-T4 VanDerWaalsContact O-N 3.07Å; S2-T4 PolarHBondContact OG-OG1 3.08Å; S2-S5 WeakPolarHBondContact O-CB 3.45Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 PolarHBondContact OG-OG 3.46Å | ||
| 3 | S | 74.3 | Confident | 79.1 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.9 | -27.8 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 113.3 | S5 K6 L7 | S3-S5 VanDerWaalsContact C-N 3.35Å; S3-S5 PolarHBondContact O-N 2.95Å; S3-K6 PolarHBondContact O-N 3.07Å; S3-L7 PolarHBondContact O-N 2.89Å |
| 4 | T | 79.9 | Confident | 80 | Confident | 90 Ų | 90 | 94.1 Ų | 94.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.7 | -40.3 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | S2 K6 L7 V8 | S2-T4 PolarHBondContact O-N 3.29Å; S2-T4 VanDerWaalsContact O-N 3.07Å; S2-T4 PolarHBondContact OG-OG1 3.08Å; T4-K6 VanDerWaalsContact C-N 3.34Å; T4-K6 PolarHBondContact O-N 3.38Å; T4-L7 PolarHBondContact O-N 3.44Å; T4-V8 WeakPolarHBondContact O-CG2 3.31Å; T4-V8 PolarHBondContact O-N 2.85Å; T4-V8 VanDerWaalsContact O-N 3.08Å |
| 5 | S | 80.6 | Confident | 80.8 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 41% | 0.406 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.3 | -38.6 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | S2 S3 V8 V9 | S2-S5 WeakPolarHBondContact O-CB 3.45Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 PolarHBondContact OG-OG 3.46Å; S3-S5 VanDerWaalsContact C-N 3.35Å; S3-S5 PolarHBondContact O-N 2.95Å; S5-V8 PolarHBondContact O-N 3.33Å; S5-V9 VanDerWaalsContact O-CG2 3.27Å; S5-V9 WeakPolarHBondContact O-CG2 3.35Å; S5-V9 PolarHBondContact O-N 3.04Å |
| 6 | K | 80.4 | Confident | 81.5 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 62% | 0.622 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65 | -40.8 | 177.9 | -63.7 | -176.7 | -177.2 | -179.7 | 0 | 111.7 | S3 T4 V9 A10 | S3-K6 PolarHBondContact O-N 3.07Å; T4-K6 VanDerWaalsContact C-N 3.34Å; T4-K6 PolarHBondContact O-N 3.38Å; K6-V9 PolarHBondContact O-N 3.49Å; K6-A10 VanDerWaalsContact O-CB 3.31Å; K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.25Å |
| 7 | L | 81.5 | Confident | 82.3 | Confident | 128 Ų | 128 | 89.2 Ų | 89.2 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 176.2 | -84.3 | 156.5 | 0 | 0 | 0 | 112.1 | S3 T4 A10 A11 | S3-L7 PolarHBondContact O-N 2.89Å; T4-L7 PolarHBondContact O-N 3.44Å; L7-A10 PolarHBondContact O-N 3.34Å; L7-A11 VanDerWaalsContact O-CB 3.31Å; L7-A11 WeakPolarHBondContact O-CB 3.41Å; L7-A11 PolarHBondContact O-N 3.44Å |
| 8 | V | 85.3 | Confident | 83 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 65% | 0.648 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.5 | -42.5 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | T4 S5 G12 | T4-V8 WeakPolarHBondContact O-CG2 3.31Å; T4-V8 PolarHBondContact O-N 2.85Å; T4-V8 VanDerWaalsContact O-N 3.08Å; S5-V8 PolarHBondContact O-N 3.33Å; V8-G12 PolarHBondContact O-N 3.04Å |
| 9 | V | 84.8 | Confident | 83.6 | Confident | 98 Ų | 98 | 90.4 Ų | 90.4 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -46 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | S5 K6 A11 G12 V13 | S5-V9 VanDerWaalsContact O-CG2 3.27Å; S5-V9 WeakPolarHBondContact O-CG2 3.35Å; S5-V9 PolarHBondContact O-N 3.04Å; K6-V9 PolarHBondContact O-N 3.49Å; V9-A11 PolarHBondContact O-N 3.01Å; V9-G12 PolarHBondContact O-N 3.48Å; V9-V13 HydrophobicContact CG1-CG2 4.39Å; V9-V13 WeakPolarHBondContact O-CG2 3.31Å; V9-V13 PolarHBondContact O-N 2.89Å |
| 10 | A | 80.9 | Confident | 84.3 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K6 L7 V13 G14 | K6-A10 VanDerWaalsContact O-CB 3.31Å; K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.25Å; L7-A10 PolarHBondContact O-N 3.34Å; A10-V13 PolarHBondContact O-N 2.94Å; A10-G14 PolarHBondContact O-N 3.47Å |
| 11 | A | 83.5 | Confident | 84.9 | Confident | 67 Ų | 67 | 93.1 Ų | 93.1 | 55% | 0.554 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.8 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 V9 G14 M15 | L7-A11 VanDerWaalsContact O-CB 3.31Å; L7-A11 WeakPolarHBondContact O-CB 3.41Å; L7-A11 PolarHBondContact O-N 3.44Å; V9-A11 PolarHBondContact O-N 3.01Å; A11-G14 PolarHBondContact O-N 3.39Å; A11-M15 PolarHBondContact O-N 3.49Å |
| 12 | G | 85.4 | Confident | 86.8 | Confident | 41 Ų | 41 | 86.3 Ų | 86.3 | 42% | 0.423 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V8 V9 M15 A16 | V8-G12 PolarHBondContact O-N 3.04Å; V9-G12 PolarHBondContact O-N 3.48Å; G12-M15 PolarHBondContact O-N 3.44Å; G12-A16 PolarHBondContact O-N 3.32Å |
| 13 | V | 88.3 | Confident | 88.1 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 177.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | V9 A10 M15 A16 G17 | V9-V13 HydrophobicContact CG1-CG2 4.39Å; V9-V13 WeakPolarHBondContact O-CG2 3.31Å; V9-V13 PolarHBondContact O-N 2.89Å; A10-V13 PolarHBondContact O-N 2.94Å; V13-M15 PolarHBondContact O-N 3.03Å; V13-A16 PolarHBondContact O-N 3.42Å; V13-G17 PolarHBondContact O-N 2.92Å |
| 14 | G | 90.5 | Very high | 89.1 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A10 A11 G17 L18 | A10-G14 PolarHBondContact O-N 3.47Å; A11-G14 PolarHBondContact O-N 3.39Å; G14-G17 PolarHBondContact O-N 3.06Å; G14-L18 PolarHBondContact O-N 3.4Å |
| 15 | M | 92.1 | Very high | 89.8 | Confident | 110 Ų | 110 | 89.3 Ų | 89.3 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 179.3 | -167.1 | 64.8 | -173.2 | 0 | 0 | 112.2 | A11 G12 V13 G17 L18 L19 | A11-M15 PolarHBondContact O-N 3.49Å; G12-M15 PolarHBondContact O-N 3.44Å; V13-M15 PolarHBondContact O-N 3.03Å; M15-G17 VanDerWaalsContact C-N 3.35Å; M15-G17 PolarHBondContact O-N 3.3Å; M15-L18 PolarHBondContact O-N 2.91Å; M15-L19 HydrophobicContact CE-CD2 4.38Å; M15-L19 HydrophobicContact CE-CG 4.42Å; M15-L19 HydrophobicContact CG-CD1 4.44Å; M15-L19 WeakPolarHBondContact O-CG 3.31Å; M15-L19 PolarHBondContact O-N 3.48Å |
| 16 | A | 92.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 92.5 Ų | 92.5 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G12 V13 L19 F20 | G12-A16 PolarHBondContact O-N 3.32Å; V13-A16 PolarHBondContact O-N 3.42Å; A16-L19 PolarHBondContact O-N 2.98Å; A16-F20 WeakPolarHBondContact O-CB 3.34Å; A16-F20 PolarHBondContact O-N 3.47Å |
| 17 | G | 95.1 | Very high | 91 | Very high | 31 Ų | 31 | 91.2 Ų | 91.2 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V13 G14 M15 F20 I21 | V13-G17 PolarHBondContact O-N 2.92Å; G14-G17 PolarHBondContact O-N 3.06Å; M15-G17 VanDerWaalsContact C-N 3.35Å; M15-G17 PolarHBondContact O-N 3.3Å; G17-F20 PolarHBondContact O-N 3.01Å; G17-I21 VanDerWaalsContact O-CG1 3.31Å; G17-I21 WeakPolarHBondContact O-CG1 3.44Å; G17-I21 PolarHBondContact O-N 3.41Å |
| 18 | L | 95.2 | Very high | 91.5 | Very high | 97 Ų | 97 | 87.9 Ų | 87.9 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.2 | -176.9 | 64.5 | 0 | 0 | 0 | 111.9 | G14 M15 F20 I21 C22 | G14-L18 PolarHBondContact O-N 3.4Å; M15-L18 PolarHBondContact O-N 2.91Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.29Å; L18-I21 PolarHBondContact O-N 3.32Å; L18-C22 WeakPolarHBondContact O-CB 3.35Å; L18-C22 PolarHBondContact O-N 2.96Å; L18-C22 PolarHBondContact O-SG 3.49Å |
| 19 | L | 95.2 | Very high | 91.6 | Very high | 103 Ų | 103 | 91.7 Ų | 91.7 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 176.6 | -70.1 | 172.8 | 0 | 0 | 0 | 111.6 | M15 A16 Y23 | M15-L19 HydrophobicContact CE-CD2 4.38Å; M15-L19 HydrophobicContact CE-CG 4.42Å; M15-L19 HydrophobicContact CG-CD1 4.44Å; M15-L19 WeakPolarHBondContact O-CG 3.31Å; M15-L19 PolarHBondContact O-N 3.48Å; A16-L19 PolarHBondContact O-N 2.98Å; L19-Y23 WeakPolarHBondContact O-CB 3.41Å; L19-Y23 PolarHBondContact O-N 3.43Å |
| 20 | F | 96 | Very high | 91.7 | Very high | 141 Ų | 141 | 91.7 Ų | 91.7 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -47 | 176 | -176 | -102.1 | 0 | 0 | 0 | 112.1 | A16 G17 L18 C22 Y23 C24 | A16-F20 WeakPolarHBondContact O-CB 3.34Å; A16-F20 PolarHBondContact O-N 3.47Å; G17-F20 PolarHBondContact O-N 3.01Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.29Å; F20-C22 PolarHBondContact O-N 2.87Å; F20-Y23 WeakPolarHBondContact O-CB 3.46Å; F20-Y23 PolarHBondContact O-N 3.44Å; F20-C24 PolarHBondContact O-N 3.34Å; F20-C24 PolarHBondContact O-SG 2.91Å |
| 21 | I | 97 | Very high | 91.7 | Very high | 97 Ų | 97 | 95 Ų | 95 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 177.6 | -66.6 | 164.9 | 0 | 0 | 0 | 110.8 | G17 L18 Y23 C24 I25 | G17-I21 VanDerWaalsContact O-CG1 3.31Å; G17-I21 WeakPolarHBondContact O-CG1 3.44Å; G17-I21 PolarHBondContact O-N 3.41Å; L18-I21 PolarHBondContact O-N 3.32Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.17Å; I21-C24 WeakPolarHBondContact O-CB 3.42Å; I21-C24 PolarHBondContact O-N 3.28Å; I21-C24 VanDerWaalsContact O-N 3.17Å; I21-I25 HydrophobicContact CG2-CD1 3.84Å; I21-I25 HydrophobicContact CG2-CG1 4.4Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.17Å |
| 22 | C | 96.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 48% | 0.48 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.9 | -42 | 175.1 | -74 | 0 | 0 | 0 | 0 | 111.5 | L18 F20 I25 Y26 | L18-C22 WeakPolarHBondContact O-CB 3.35Å; L18-C22 PolarHBondContact O-N 2.96Å; L18-C22 PolarHBondContact O-SG 3.49Å; F20-C22 PolarHBondContact O-N 2.87Å; C22-I25 PolarHBondContact O-N 2.98Å; C22-Y26 WeakPolarHBondContact O-CB 3.33Å; C22-Y26 PolarHBondContact O-N 3.45Å |
| 23 | Y | 95.2 | Very high | 91.4 | Very high | 148 Ų | 148 | 100.9 Ų | 100.9 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 176.2 | -174.5 | -99.9 | 0 | 0 | 0 | 112.3 | L19 F20 I21 I25 Y26 F27 | L19-Y23 WeakPolarHBondContact O-CB 3.41Å; L19-Y23 PolarHBondContact O-N 3.43Å; F20-Y23 WeakPolarHBondContact O-CB 3.46Å; F20-Y23 PolarHBondContact O-N 3.44Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.17Å; Y23-I25 PolarHBondContact O-N 2.95Å; Y23-Y26 PolarHBondContact O-N 2.97Å; Y23-F27 PolarHBondContact O-N 3.04Å |
| 24 | C | 95.8 | Very high | 90.9 | Very high | 57 Ų | 57 | 100.8 Ų | 100.8 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 174.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | F20 I21 F27 D28 | F20-C24 PolarHBondContact O-N 3.34Å; F20-C24 PolarHBondContact O-SG 2.91Å; I21-C24 WeakPolarHBondContact O-CB 3.42Å; I21-C24 PolarHBondContact O-N 3.28Å; I21-C24 VanDerWaalsContact O-N 3.17Å; C24-F27 PolarHBondContact O-N 2.99Å; C24-D28 WeakPolarHBondContact O-CB 3.3Å; C24-D28 PolarHBondContact O-N 3.45Å |
| 25 | I | 95.6 | Very high | 90.2 | Very high | 109 Ų | 109 | 103.8 Ų | 103.8 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 177.7 | -66.4 | 168.3 | 0 | 0 | 0 | 110.5 | I21 C22 Y23 F27 D28 R29 | I21-I25 HydrophobicContact CG2-CD1 3.84Å; I21-I25 HydrophobicContact CG2-CG1 4.4Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.17Å; C22-I25 PolarHBondContact O-N 2.98Å; Y23-I25 PolarHBondContact O-N 2.95Å; I25-F27 VanDerWaalsContact C-N 3.35Å; I25-F27 PolarHBondContact O-N 3.31Å; I25-D28 PolarHBondContact O-N 2.93Å; I25-R29 WeakPolarHBondContact O-CB 3.48Å; I25-R29 PolarHBondContact O-N 3.49Å |
| 26 | Y | 93.7 | Very high | 89.7 | Confident | 125 Ų | 125 | 102.5 Ų | 102.5 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.8 | 170.1 | -102.3 | 0 | 0 | 0 | 111.7 | C22 Y23 R29 K30 | C22-Y26 WeakPolarHBondContact O-CB 3.33Å; C22-Y26 PolarHBondContact O-N 3.45Å; Y23-Y26 PolarHBondContact O-N 2.97Å; Y26-R29 PolarHBondContact O-N 2.87Å; Y26-K30 HydrophobicContact CE1-CD 4.31Å; Y26-K30 WeakPolarHBondContact O-CB 3.4Å; Y26-K30 PolarHBondContact O-N 2.92Å |
| 27 | F | 91.5 | Very high | 89.2 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | -178.9 | -169.5 | -100.3 | 0 | 0 | 0 | 112.8 | Y23 C24 I25 R29 K30 R31 | Y23-F27 PolarHBondContact O-N 3.04Å; C24-F27 PolarHBondContact O-N 2.99Å; I25-F27 VanDerWaalsContact C-N 3.35Å; I25-F27 PolarHBondContact O-N 3.31Å; F27-R29 VanDerWaalsContact C-N 3.31Å; F27-R29 PolarHBondContact O-N 3.34Å; F27-K30 PolarHBondContact O-N 2.88Å; F27-R31 WeakPolarHBondContact O-CB 3.39Å; F27-R31 PolarHBondContact O-N 2.95Å |
| 28 | D | 91.4 | Very high | 88.5 | Confident | 58 Ų | 58 | 108.3 Ų | 108.3 | 31% | 0.31 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.1 | -177.1 | 68.4 | 0 | 0 | 0 | 111 | C24 I25 R31 R32 | C24-D28 WeakPolarHBondContact O-CB 3.3Å; C24-D28 PolarHBondContact O-N 3.45Å; I25-D28 PolarHBondContact O-N 2.93Å; D28-R31 PolarHBondContact O-N 3.45Å; D28-R32 VanDerWaalsContact CG-NE 3.27Å; D28-R32 WeakPolarHBondContact O-CB 3.49Å; D28-R32 VanDerWaalsContact O-CG 3.3Å; D28-R32 WeakPolarHBondContact O-CG 3.4Å; D28-R32 PolarHBondContact O-N 3.01Å; D28-R32 IonicContact OD1-CZ 3.35Å; D28-R32 IonicContact OD1-NE 2.77Å; D28-R32 PolarHBondContact OD1-NE 3.37Å; D28-R32 IonicContact OD1-NH2 2.99Å; D28-R32 PolarHBondContact OD1-NH2 3.03Å; D28-R32 IonicContact OD2-CZ 2.96Å; D28-R32 IonicContact OD2-NE 3.55Å; D28-R32 PolarHBondContact OD2-NE 2.93Å; D28-R32 IonicContact OD2-NH1 3.7Å; D28-R32 IonicContact OD2-NH2 3.04Å; D28-R32 PolarHBondContact OD2-NH2 3.14Å |
| 29 | R | 88 | Confident | 88.1 | Confident | 186 Ų | 186 | 107.5 Ų | 107.5 | 70% | 0.702 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | 175.7 | -161.3 | 173.9 | 87.6 | 114.6 | -1.2 | 111.8 | I25 Y26 F27 R31 R32 S33 | I25-R29 WeakPolarHBondContact O-CB 3.48Å; I25-R29 PolarHBondContact O-N 3.49Å; Y26-R29 PolarHBondContact O-N 2.87Å; F27-R29 VanDerWaalsContact C-N 3.31Å; F27-R29 PolarHBondContact O-N 3.34Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 2.95Å; R29-R32 PolarHBondContact O-N 3.21Å; R29-S33 WeakPolarHBondContact O-CB 3.32Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 3.44Å; R29-S33 VanDerWaalsContact O-OG 3.14Å |
| 30 | K | 86.3 | Confident | 87.7 | Confident | 98 Ų | 98 | 108.6 Ų | 108.6 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 177 | -171.9 | 164.5 | -176.5 | 172 | 0 | 111.2 | Y26 F27 R32 S33 H34 | Y26-K30 HydrophobicContact CE1-CD 4.31Å; Y26-K30 WeakPolarHBondContact O-CB 3.4Å; Y26-K30 PolarHBondContact O-N 2.92Å; F27-K30 PolarHBondContact O-N 2.88Å; K30-R32 PolarHBondContact O-N 3.47Å; K30-S33 PolarHBondContact O-N 2.93Å; K30-S33 PolarHBondContact O-OG 3.27Å; K30-H34 PolarHBondContact O-CD2 3.37Å; K30-H34 PolarHBondContact O-N 3.45Å; K30-H34 PolarHBondContact O-NE2 2.94Å |
| 31 | R | 82.4 | Confident | 87.3 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 177.6 | -160.4 | 177.1 | 87.7 | 168.6 | 2.2 | 112.3 | F27 D28 R29 | F27-R31 WeakPolarHBondContact O-CB 3.39Å; F27-R31 PolarHBondContact O-N 2.95Å; D28-R31 PolarHBondContact O-N 3.45Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 2.95Å |
| 32 | R | 82 | Confident | 86.9 | Confident | 143 Ų | 143 | 108.4 Ų | 108.4 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -79.2 | -22.2 | -178.4 | -67.2 | 178.9 | -168.3 | -166 | 7.8 | 114.1 | D28 R29 K30 F37 | D28-R32 VanDerWaalsContact CG-NE 3.27Å; D28-R32 WeakPolarHBondContact O-CB 3.49Å; D28-R32 VanDerWaalsContact O-CG 3.3Å; D28-R32 WeakPolarHBondContact O-CG 3.4Å; D28-R32 PolarHBondContact O-N 3.01Å; D28-R32 IonicContact OD1-CZ 3.35Å; D28-R32 IonicContact OD1-NE 2.77Å; D28-R32 PolarHBondContact OD1-NE 3.37Å; D28-R32 IonicContact OD1-NH2 2.99Å; D28-R32 PolarHBondContact OD1-NH2 3.03Å; D28-R32 IonicContact OD2-CZ 2.96Å; D28-R32 IonicContact OD2-NE 3.55Å; D28-R32 PolarHBondContact OD2-NE 2.93Å; D28-R32 IonicContact OD2-NH1 3.7Å; D28-R32 IonicContact OD2-NH2 3.04Å; D28-R32 PolarHBondContact OD2-NH2 3.14Å; R29-R32 PolarHBondContact O-N 3.21Å; K30-R32 PolarHBondContact O-N 3.47Å; R32-F37 HydrophobicContact CB-CD1 4.46Å; R32-F37 HydrophobicContact CB-CE1 4.47Å; R32-F37 HydrophobicContact CG-CD1 4.48Å; R32-F37 HydrophobicContact CG-CE1 4.04Å; R32-F37 HydrophobicContact CG-CZ 4.46Å |
| 33 | S | 78.9 | Confident | 86.7 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -83.8 | -11.9 | 178.5 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | R29 K30 | R29-S33 WeakPolarHBondContact O-CB 3.32Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 3.44Å; R29-S33 VanDerWaalsContact O-OG 3.14Å; K30-S33 PolarHBondContact O-N 2.93Å; K30-S33 PolarHBondContact O-OG 3.27Å |
| 34 | H | 78.3 | Confident | 86.4 | Confident | 98 Ų | 98 | 110.1 Ų | 110.1 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -61.4 | 129.8 | 174.6 | -72.9 | -71.7 | 0 | 0 | 0 | 110.2 | K30 D36 F37 | K30-H34 PolarHBondContact O-CD2 3.37Å; K30-H34 PolarHBondContact O-N 3.45Å; K30-H34 PolarHBondContact O-NE2 2.94Å; H34-D36 PolarHBondContact O-N 3.34Å; H34-F37 HydrophobicContact CB-CB 4.4Å; H34-F37 WeakPolarHBondContact O-CB 3.4Å; H34-F37 PolarHBondContact O-N 2.92Å |
| 35 | P | 76.4 | Confident | 86.3 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 71% | 0.714 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.2 | -39.4 | -175.1 | 20 | -31.4 | 0 | 0 | 0 | 112.2 | F37 | P35-F37 VanDerWaalsContact C-N 3.29Å; P35-F37 PolarHBondContact O-N 2.97Å |
| 36 | D | 81.4 | Confident | 86.1 | Confident | 83 Ų | 83 | 110.6 Ų | 110.6 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -22 | 178 | -63.8 | 2.6 | 0 | 0 | 0 | 114.4 | H34 K38 E39 K40 | H34-D36 PolarHBondContact O-N 3.34Å; D36-K38 PolarHBondContact O-N 3.49Å; D36-E39 PolarHBondContact O-N 3.31Å; D36-K40 HydrophobicContact CB-CD 4.17Å; D36-K40 VanDerWaalsContact O-CB 3.3Å; D36-K40 WeakPolarHBondContact O-CB 3.33Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.26Å; D36-K40 PolarHBondContact O-N 3.19Å; D36-K40 IonicContact OD2-NZ 2.95Å |
| 37 | F | 81 | Confident | 86 | Confident | 61 Ų | 61 | 109.6 Ų | 109.6 | 27% | 0.268 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | -172.9 | 178.7 | -100.4 | 0 | 0 | 0 | 111 | R32 H34 P35 E39 L41 | R32-F37 HydrophobicContact CB-CD1 4.46Å; R32-F37 HydrophobicContact CB-CE1 4.47Å; R32-F37 HydrophobicContact CG-CD1 4.48Å; R32-F37 HydrophobicContact CG-CE1 4.04Å; R32-F37 HydrophobicContact CG-CZ 4.46Å; H34-F37 HydrophobicContact CB-CB 4.4Å; H34-F37 WeakPolarHBondContact O-CB 3.4Å; H34-F37 PolarHBondContact O-N 2.92Å; P35-F37 VanDerWaalsContact C-N 3.29Å; P35-F37 PolarHBondContact O-N 2.97Å; F37-E39 VanDerWaalsContact C-N 3.34Å; F37-E39 PolarHBondContact O-N 3.48Å; F37-L41 HydrophobicContact CE1-CD2 4.22Å; F37-L41 HydrophobicContact CZ-CD2 4.5Å; F37-L41 VanDerWaalsContact O-CB 3.26Å; F37-L41 WeakPolarHBondContact O-CB 3.48Å; F37-L41 PolarHBondContact O-N 3.31Å |
| 38 | K | 82 | Confident | 85.9 | Confident | 150 Ų | 150 | 110 Ų | 110 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 177.9 | -70 | -173.8 | 179.6 | -179.8 | 0 | 111.6 | D36 R42 | D36-K38 PolarHBondContact O-N 3.49Å; K38-R42 WeakPolarHBondContact O-CB 3.29Å; K38-R42 WeakPolarHBondContact O-CG 3.3Å; K38-R42 PolarHBondContact O-N 3.25Å |
| 39 | E | 86 | Confident | 85.6 | Confident | 80 Ų | 80 | 114.8 Ų | 114.8 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.1 | -48.1 | 178.4 | -160.9 | -166.7 | 146.3 | 0 | 0 | 111.8 | D36 F37 L41 R42 K43 | D36-E39 PolarHBondContact O-N 3.31Å; F37-E39 VanDerWaalsContact C-N 3.34Å; F37-E39 PolarHBondContact O-N 3.48Å; E39-L41 VanDerWaalsContact C-N 3.28Å; E39-L41 PolarHBondContact O-N 2.83Å; E39-R42 PolarHBondContact O-N 3.48Å; E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.03Å; E39-K43 WeakPolarHBondContact OE1-CE 3.33Å; E39-K43 IonicContact OE1-NZ 2.88Å; E39-K43 PolarHBondContact OE1-NZ 2.88Å |
| 40 | K | 86.6 | Confident | 85.5 | Confident | 125 Ų | 125 | 112.3 Ų | 112.3 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 174.9 | -73.6 | 171.1 | -179.9 | 165.4 | 0 | 111.4 | D36 K43 K44 | D36-K40 HydrophobicContact CB-CD 4.17Å; D36-K40 VanDerWaalsContact O-CB 3.3Å; D36-K40 WeakPolarHBondContact O-CB 3.33Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.26Å; D36-K40 PolarHBondContact O-N 3.19Å; D36-K40 IonicContact OD2-NZ 2.95Å; K40-K43 PolarHBondContact O-N 3.33Å; K40-K44 WeakPolarHBondContact O-CB 3.5Å; K40-K44 WeakPolarHBondContact O-CG 3.34Å; K40-K44 PolarHBondContact O-N 3.37Å |
| 41 | L | 87.3 | Confident | 85.2 | Confident | 61 Ų | 61 | 114.9 Ų | 114.9 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.5 | -170.9 | 61.8 | 0 | 0 | 0 | 112.2 | F37 E39 K44 R45 | F37-L41 HydrophobicContact CE1-CD2 4.22Å; F37-L41 HydrophobicContact CZ-CD2 4.5Å; F37-L41 VanDerWaalsContact O-CB 3.26Å; F37-L41 WeakPolarHBondContact O-CB 3.48Å; F37-L41 PolarHBondContact O-N 3.31Å; E39-L41 VanDerWaalsContact C-N 3.28Å; E39-L41 PolarHBondContact O-N 2.83Å; L41-K44 PolarHBondContact O-N 3.01Å; L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 2.85Å |
| 42 | R | 88.5 | Confident | 84.7 | Confident | 174 Ų | 174 | 116 Ų | 116 | 66% | 0.657 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 173.5 | -76 | -173.1 | -62.4 | 168.4 | 2.3 | 111.5 | K38 E39 R45 A46 | K38-R42 WeakPolarHBondContact O-CB 3.29Å; K38-R42 WeakPolarHBondContact O-CG 3.3Å; K38-R42 PolarHBondContact O-N 3.25Å; E39-R42 PolarHBondContact O-N 3.48Å; R42-R45 PolarHBondContact O-N 2.86Å; R42-A46 WeakPolarHBondContact O-CB 3.38Å; R42-A46 PolarHBondContact O-N 3.48Å |
| 43 | K | 91.6 | Very high | 84.7 | Confident | 119 Ų | 119 | 114.7 Ų | 114.7 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.6 | -74.3 | -178.8 | -179.2 | 170.6 | 0 | 111.5 | E39 K40 A46 L47 | E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.03Å; E39-K43 WeakPolarHBondContact OE1-CE 3.33Å; E39-K43 IonicContact OE1-NZ 2.88Å; E39-K43 PolarHBondContact OE1-NZ 2.88Å; K40-K43 PolarHBondContact O-N 3.33Å; K43-A46 PolarHBondContact O-N 2.89Å; K43-L47 WeakPolarHBondContact O-CB 3.46Å; K43-L47 WeakPolarHBondContact O-CD1 3.38Å; K43-L47 WeakPolarHBondContact O-CG 3.47Å; K43-L47 PolarHBondContact O-N 3.25Å |
| 44 | K | 90.8 | Very high | 84.5 | Confident | 135 Ų | 135 | 114.5 Ų | 114.5 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.4 | -50.5 | 175.6 | -78 | -172.6 | 175.2 | -166.3 | 0 | 112.2 | K40 L41 A46 L47 E48 | K40-K44 WeakPolarHBondContact O-CB 3.5Å; K40-K44 WeakPolarHBondContact O-CG 3.34Å; K40-K44 PolarHBondContact O-N 3.37Å; L41-K44 PolarHBondContact O-N 3.01Å; K44-A46 VanDerWaalsContact C-N 3.28Å; K44-A46 PolarHBondContact O-N 3.36Å; K44-L47 WeakPolarHBondContact O-CB 3.43Å; K44-L47 PolarHBondContact O-N 3.19Å; K44-E48 WeakPolarHBondContact O-CG 3Å; K44-E48 PolarHBondContact O-N 2.93Å |
| 45 | R | 92.3 | Very high | 84.2 | Confident | 129 Ų | 129 | 113.7 Ų | 113.7 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -34.2 | 177.3 | -70 | 178 | -174.6 | 171.6 | -0.5 | 113 | L41 R42 R49 | L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 2.85Å; R42-R45 PolarHBondContact O-N 2.86Å; R45-R49 WeakPolarHBondContact O-CB 3.38Å; R45-R49 WeakPolarHBondContact O-CG 3.14Å; R45-R49 PolarHBondContact O-N 3.43Å; R45-R49 PolarHBondContact O-NE 3.07Å |
| 46 | A | 92.3 | Very high | 84.2 | Confident | 48 Ų | 48 | 114.2 Ų | 114.2 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R42 K43 K44 R49 K50 | R42-A46 WeakPolarHBondContact O-CB 3.38Å; R42-A46 PolarHBondContact O-N 3.48Å; K43-A46 PolarHBondContact O-N 2.89Å; K44-A46 VanDerWaalsContact C-N 3.28Å; K44-A46 PolarHBondContact O-N 3.36Å; A46-R49 PolarHBondContact O-N 2.64Å; A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 WeakPolarHBondContact O-CG 3.18Å; A46-K50 PolarHBondContact O-N 3.34Å |
| 47 | L | 91.7 | Very high | 84.4 | Confident | 104 Ų | 104 | 116.7 Ų | 116.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.3 | -77.5 | 157.6 | 0 | 0 | 0 | 111.6 | K43 K44 K50 K51 | K43-L47 WeakPolarHBondContact O-CB 3.46Å; K43-L47 WeakPolarHBondContact O-CD1 3.38Å; K43-L47 WeakPolarHBondContact O-CG 3.47Å; K43-L47 PolarHBondContact O-N 3.25Å; K44-L47 WeakPolarHBondContact O-CB 3.43Å; K44-L47 PolarHBondContact O-N 3.19Å; L47-K50 PolarHBondContact O-N 3.21Å; L47-K51 WeakPolarHBondContact O-CB 3.45Å; L47-K51 VanDerWaalsContact O-CG 3.28Å; L47-K51 WeakPolarHBondContact O-CG 3.47Å; L47-K51 PolarHBondContact O-N 3.24Å |
| 48 | E | 89.1 | Confident | 84.7 | Confident | 126 Ų | 126 | 115 Ų | 115 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 176.1 | -73.5 | 168.7 | 169.3 | 0 | 0 | 111.7 | K44 K51 W52 | K44-E48 WeakPolarHBondContact O-CG 3Å; K44-E48 PolarHBondContact O-N 2.93Å; E48-K51 PolarHBondContact O-N 3.41Å; E48-W52 WeakPolarHBondContact O-CB 3.37Å; E48-W52 PolarHBondContact O-N 2.95Å |
| 49 | R | 85.1 | Confident | 85.1 | Confident | 158 Ų | 158 | 113.2 Ų | 113.2 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 173 | -86.2 | -173.6 | -92.4 | -119.6 | 6.1 | 112.6 | R45 A46 K51 W52 E53 | R45-R49 WeakPolarHBondContact O-CB 3.38Å; R45-R49 WeakPolarHBondContact O-CG 3.14Å; R45-R49 PolarHBondContact O-N 3.43Å; R45-R49 PolarHBondContact O-NE 3.07Å; A46-R49 PolarHBondContact O-N 2.64Å; R49-K51 PolarHBondContact O-N 3.22Å; R49-W52 WeakPolarHBondContact O-CB 3.28Å; R49-W52 PolarHBondContact O-N 3.29Å; R49-E53 WeakPolarHBondContact O-CB 3.4Å; R49-E53 WeakPolarHBondContact O-CG 3.49Å; R49-E53 PolarHBondContact O-N 3.3Å |
| 50 | K | 86.5 | Confident | 85.4 | Confident | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 175.3 | -79.1 | -170.1 | 173.7 | -166.2 | 0 | 111.6 | A46 L47 W52 E53 D54 | A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 WeakPolarHBondContact O-CG 3.18Å; A46-K50 PolarHBondContact O-N 3.34Å; L47-K50 PolarHBondContact O-N 3.21Å; K50-W52 VanDerWaalsContact C-N 3.27Å; K50-W52 PolarHBondContact O-N 3.4Å; K50-E53 PolarHBondContact O-N 3.47Å; K50-D54 VanDerWaalsContact O-CB 3.3Å; K50-D54 WeakPolarHBondContact O-CB 3.17Å; K50-D54 VanDerWaalsContact O-CG 3.24Å; K50-D54 PolarHBondContact O-N 2.92Å |
| 51 | K | 78.5 | Confident | 85.5 | Confident | 152 Ų | 152 | 104.9 Ų | 104.9 | 66% | 0.661 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.3 | -41.6 | 174.6 | -75.9 | 179.5 | 178 | -165.6 | 0 | 111.8 | L47 E48 R49 A55 | L47-K51 WeakPolarHBondContact O-CB 3.45Å; L47-K51 VanDerWaalsContact O-CG 3.28Å; L47-K51 WeakPolarHBondContact O-CG 3.47Å; L47-K51 PolarHBondContact O-N 3.24Å; E48-K51 PolarHBondContact O-N 3.41Å; R49-K51 PolarHBondContact O-N 3.22Å; K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.45Å |
| 52 | W | 73.4 | Confident | 85.5 | Confident | 159 Ų | 159 | 104.4 Ų | 104.4 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68 | -41.7 | 176.7 | -176.8 | -101.1 | 0 | 0 | 0 | 112.7 | E48 R49 K50 A55 K56 | E48-W52 WeakPolarHBondContact O-CB 3.37Å; E48-W52 PolarHBondContact O-N 2.95Å; R49-W52 WeakPolarHBondContact O-CB 3.28Å; R49-W52 PolarHBondContact O-N 3.29Å; K50-W52 VanDerWaalsContact C-N 3.27Å; K50-W52 PolarHBondContact O-N 3.4Å; W52-A55 PolarHBondContact O-N 3.4Å; W52-K56 VanDerWaalsContact NE1-CE 3.33Å; W52-K56 WeakPolarHBondContact O-CG 3.4Å; W52-K56 PolarHBondContact O-N 3.14Å; W52-K56 VanDerWaalsContact O-N 3.12Å |
| 53 | E | 81 | Confident | 85.3 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 175.9 | -73.7 | 175.9 | 173.6 | 0 | 0 | 112.2 | R49 K50 A55 K56 K57 | R49-E53 WeakPolarHBondContact O-CB 3.4Å; R49-E53 WeakPolarHBondContact O-CG 3.49Å; R49-E53 PolarHBondContact O-N 3.3Å; K50-E53 PolarHBondContact O-N 3.47Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-K56 WeakPolarHBondContact O-CB 3.45Å; E53-K56 PolarHBondContact O-N 2.92Å; E53-K57 PolarHBondContact O-N 3.34Å |
| 54 | D | 75.5 | Confident | 85 | Confident | 84 Ų | 84 | 96.4 Ų | 96.4 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 175.8 | -68.7 | -33.2 | 0 | 0 | 0 | 110.9 | K50 K56 K57 | K50-D54 VanDerWaalsContact O-CB 3.3Å; K50-D54 WeakPolarHBondContact O-CB 3.17Å; K50-D54 VanDerWaalsContact O-CG 3.24Å; K50-D54 PolarHBondContact O-N 2.92Å; D54-K56 PolarHBondContact O-N 3.22Å; D54-K57 WeakPolarHBondContact O-CB 3.37Å; D54-K57 PolarHBondContact O-N 3.28Å; D54-K57 VanDerWaalsContact O-N 3.12Å; D54-K57 IonicContact OD1-NZ 2.64Å; D54-K57 PolarHBondContact OD1-NZ 3.02Å |
| 55 | A | 70.7 | Confident | 85 | Confident | 81 Ų | 81 | 93.2 Ų | 93.2 | 67% | 0.669 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.5 | -25.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | K51 W52 E53 | K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.45Å; W52-A55 PolarHBondContact O-N 3.4Å; E53-A55 VanDerWaalsContact C-N 3.34Å |
| 56 | K | 76.5 | Confident | 84.8 | Confident | 120 Ų | 120 | 94.3 Ų | 94.3 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.7 | -18.9 | 173 | -76.3 | -174.5 | 171.8 | -162.9 | 0 | 113.5 | W52 E53 D54 | W52-K56 VanDerWaalsContact NE1-CE 3.33Å; W52-K56 WeakPolarHBondContact O-CG 3.4Å; W52-K56 PolarHBondContact O-N 3.14Å; W52-K56 VanDerWaalsContact O-N 3.12Å; E53-K56 WeakPolarHBondContact O-CB 3.45Å; E53-K56 PolarHBondContact O-N 2.92Å; D54-K56 PolarHBondContact O-N 3.22Å |
| 57 | K | 85 | Confident | 84.7 | Confident | 136 Ų | 136 | 97.6 Ų | 97.6 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -73.6 | 131.9 | 175.9 | -69.1 | 174.4 | -173.4 | 157.3 | 0 | 109.2 | E53 D54 T59 | E53-K57 PolarHBondContact O-N 3.34Å; D54-K57 WeakPolarHBondContact O-CB 3.37Å; D54-K57 PolarHBondContact O-N 3.28Å; D54-K57 VanDerWaalsContact O-N 3.12Å; D54-K57 IonicContact OD1-NZ 2.64Å; D54-K57 PolarHBondContact OD1-NZ 3.02Å; K57-T59 PolarHBondContact O-N 3.25Å |
| 58 | I | 88.6 | Confident | 84.6 | Confident | 26 Ų | 26 | 94.2 Ų | 94.2 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | trans | -90.2 | 106.2 | -179.6 | -59.1 | -172 | 0 | 0 | 0 | 108.1 | F60 F72 R94 M132 | I58-F60 HydrophobicContact CG2-CD1 4.32Å; I58-F60 HydrophobicContact CG2-CD2 4.46Å; I58-F60 HydrophobicContact CG2-CE1 3.99Å; I58-F60 HydrophobicContact CG2-CE2 4.12Å; I58-F60 HydrophobicContact CG2-CZ 3.89Å; I58-F72 HydrophobicContact CG2-CE2 4.21Å; I58-F72 HydrophobicContact CG2-CZ 3.77Å; I58-R94 HydrophobicContact CD1-CB 4.46Å; I58-M132 HydrophobicContact CD1-CE 3.64Å; I58-M132 HydrophobicContact CD1-SD 4.05Å | ||
| 59 | T | 89.6 | Confident | 84.8 | Confident | 112 Ų | 112 | 89 Ų | 89 | 69% | 0.687 | 44% | 0.442 | S | S | * | . | trans | -88.7 | 108.2 | 171.3 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | K57 F72 | K57-T59 PolarHBondContact O-N 3.25Å; T59-F72 VanDerWaalsContact O-CE2 3.25Å; T59-F72 WeakPolarHBondContact O-CE2 3.38Å | ||
| 60 | F | 92 | Very high | 85.1 | Confident | 12 Ų | 12 | 85.5 Ų | 85.5 | 5% | 0.053 | 44% | 0.435 | C | S | . | . | trans | -70 | 145.6 | 177 | -70 | -73.4 | 0 | 0 | 0 | 111.9 | I58 F62 F72 V101 A102 M132 F136 A139 M140 | I58-F60 HydrophobicContact CG2-CD1 4.32Å; I58-F60 HydrophobicContact CG2-CD2 4.46Å; I58-F60 HydrophobicContact CG2-CE1 3.99Å; I58-F60 HydrophobicContact CG2-CE2 4.12Å; I58-F60 HydrophobicContact CG2-CZ 3.89Å; F60-F62 PolarHBondContact O-N 2.95Å; F60-F72 HydrophobicContact CD1-CE1 4.13Å; F60-F72 AromaticContact CD1-CZ 3.89Å; F60-F72 HydrophobicContact CD1-CZ 3.89Å; F60-F72 HydrophobicContact CE1-CE1 4.37Å; F60-F72 HydrophobicContact CE1-CZ 4.17Å; F60-V101 HydrophobicContact CE1-CG2 3.65Å; F60-V101 HydrophobicContact CZ-CG2 3.93Å; F60-A102 HydrophobicContact CD1-CB 4.18Å; F60-A102 HydrophobicContact CE1-CB 4.49Å; F60-M132 HydrophobicContact CZ-SD 3.79Å; F60-F136 HydrophobicContact CB-CD2 4.22Å; F60-F136 HydrophobicContact CB-CE2 4.32Å; F60-F136 AromaticContact CD1-CD2 3.42Å; F60-F136 HydrophobicContact CD1-CD2 3.42Å; F60-F136 VanDerWaalsContact CD1-CD2 3.42Å; F60-F136 AromaticContact CD1-CE2 3.91Å; F60-F136 HydrophobicContact CD1-CE2 3.91Å; F60-F136 AromaticContact CD2-CD2 3.93Å; F60-F136 HydrophobicContact CD2-CD2 3.93Å; F60-F136 HydrophobicContact CE1-CB 4.22Å; F60-F136 AromaticContact CE1-CD2 3.59Å; F60-F136 HydrophobicContact CE1-CD2 3.59Å; F60-F136 HydrophobicContact CE1-CE2 4.4Å; F60-F136 HydrophobicContact CE1-CG 4.3Å; F60-F136 HydrophobicContact CE2-CB 3.97Å; F60-F136 HydrophobicContact CE2-CD2 4.09Å; F60-F136 AromaticContact CG-CD2 3.59Å; F60-F136 HydrophobicContact CG-CD2 3.59Å; F60-F136 HydrophobicContact CG-CE2 4.12Å; F60-F136 HydrophobicContact CZ-CB 3.78Å; F60-F136 AromaticContact CZ-CD2 3.92Å; F60-F136 HydrophobicContact CZ-CD2 3.92Å; F60-F136 HydrophobicContact CZ-CG 4.32Å; F60-A139 HydrophobicContact CD2-CB 3.83Å; F60-A139 HydrophobicContact CE2-CB 4.44Å; F60-M140 HydrophobicContact CB-SD 4.5Å | ||
| 61 | P | 89.5 | Confident | 85.3 | Confident | 18 Ų | 18 | 85 Ų | 85 | 12% | 0.117 | 43% | 0.43 | C | S | . | . | trans | -66.4 | 126.6 | -180 | 27.6 | -33.2 | 0 | 0 | 0 | 110.1 | V69 F72 | P61-V69 HydrophobicContact CG-CG2 4Å; P61-F72 HydrophobicContact CB-CB 4.31Å; P61-F72 HydrophobicContact CG-CB 3.92Å; P61-F72 HydrophobicContact CG-CD1 4.3Å; P61-F72 HydrophobicContact CG-CG 4.02Å | ||
| 62 | F | 87 | Confident | 86.1 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 22% | 0.219 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -141.9 | 127.1 | 176.8 | -168.8 | -79.7 | 0 | 0 | 0 | 110.1 | F60 M140 M143 V147 F152 | F60-F62 PolarHBondContact O-N 2.95Å; F62-M140 HydrophobicContact CD2-CE 3.56Å; F62-M140 HydrophobicContact CD2-SD 4.02Å; F62-M140 HydrophobicContact CE2-CE 3.96Å; F62-M143 HydrophobicContact CB-CB 4.35Å; F62-M143 HydrophobicContact CB-CE 3.5Å; F62-M143 HydrophobicContact CB-CG 4.38Å; F62-M143 HydrophobicContact CD1-CB 4.15Å; F62-M143 HydrophobicContact CD1-CE 4.24Å; F62-M143 HydrophobicContact CD2-CB 3.53Å; F62-M143 HydrophobicContact CD2-CG 4.33Å; F62-M143 HydrophobicContact CE1-CB 4.45Å; F62-M143 HydrophobicContact CE2-CB 3.82Å; F62-M143 HydrophobicContact CG-CB 3.71Å; F62-M143 HydrophobicContact CG-CE 3.97Å; F62-M143 HydrophobicContact CG-CG 4.27Å; F62-M143 HydrophobicContact CZ-CB 4.28Å; F62-V147 HydrophobicContact CD1-CG2 4.29Å; F62-V147 HydrophobicContact CE1-CG2 3.29Å; F62-V147 HydrophobicContact CZ-CG2 3.71Å; F62-F152 HydrophobicContact CD1-CD1 4.07Å; F62-F152 AromaticContact CD1-CE1 3.54Å; F62-F152 HydrophobicContact CD1-CE1 3.54Å; F62-F152 AromaticContact CD1-CZ 3.9Å; F62-F152 HydrophobicContact CD1-CZ 3.9Å; F62-F152 HydrophobicContact CE1-CD1 4.19Å; F62-F152 HydrophobicContact CE1-CE1 4.08Å |
| 63 | P | 85.2 | Confident | 87 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 34% | 0.338 | 39% | 0.385 | S | S | . | . | S | Bend | cis | -66.2 | 150.5 | -2.7 | 26.1 | -33.3 | 0 | 0 | 0 | 111.2 | T65 S68 L154 | P63-T65 HydrophobicContact CB-CG2 4.45Å; P63-T65 HydrophobicContact CG-CG2 4.18Å; P63-T65 PolarHBondContact O-N 3.37Å; P63-S68 PolarHBondContact O-OG 3.46Å; P63-L154 HydrophobicContact CG-CD2 3.89Å |
| 64 | P | 85.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | trans | -78.9 | 65.8 | -177.9 | 34.1 | -35.7 | 0 | 0 | 0 | 110 | V69 M140 | P64-V69 HydrophobicContact CB-CG2 4.08Å; P64-M140 HydrophobicContact CB-CE 4.15Å; P64-M140 HydrophobicContact CG-CE 3.73Å | ||
| 65 | T | 90 | Very high | 88.5 | Confident | 67 Ų | 67 | 77.2 Ų | 77.2 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | trans | -72.5 | 153.6 | 170.7 | 64.4 | 0 | 0 | 0 | 0 | 109.4 | P63 E67 S68 V69 | P63-T65 HydrophobicContact CB-CG2 4.45Å; P63-T65 HydrophobicContact CG-CG2 4.18Å; P63-T65 PolarHBondContact O-N 3.37Å; T65-E67 PolarHBondContact O-N 2.89Å; T65-S68 PolarHBondContact N-OG 3.37Å; T65-S68 VanDerWaalsContact N-OG 3.15Å; T65-S68 PolarHBondContact O-N 2.86Å; T65-S68 PolarHBondContact O-OG 2.9Å; T65-S68 VanDerWaalsContact O-OG 3.07Å; T65-S68 WeakPolarHBondContact OG1-CB 3.37Å; T65-S68 PolarHBondContact OG1-N 3.02Å; T65-S68 PolarHBondContact OG1-OG 3.33Å; T65-S68 VanDerWaalsContact OG1-OG 3.1Å; T65-V69 WeakPolarHBondContact O-CB 3.28Å; T65-V69 VanDerWaalsContact O-CG2 3.31Å; T65-V69 WeakPolarHBondContact O-CG2 3.41Å; T65-V69 PolarHBondContact O-N 2.92Å | ||
| 66 | M | 88.2 | Confident | 89.6 | Confident | 153 Ų | 153 | 74.2 Ų | 74.2 | 75% | 0.754 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.6 | -37.9 | -179.8 | -168.1 | 176.9 | 80.7 | 0 | 0 | 111.8 | N70 | M66-N70 VanDerWaalsContact O-CB 3.28Å; M66-N70 WeakPolarHBondContact O-CB 3.43Å; M66-N70 PolarHBondContact O-N 3.43Å; M66-N70 PolarHBondContact O-ND2 3.34Å |
| 67 | E | 90.4 | Very high | 90.4 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.2 | -44.6 | 178.7 | -166.6 | 170.7 | 172.7 | 0 | 0 | 112.8 | T65 V69 N70 R71 Y159 | T65-E67 PolarHBondContact O-N 2.89Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 3.2Å; E67-N70 PolarHBondContact O-N 3.12Å; E67-R71 PolarHBondContact O-N 2.9Å; E67-Y159 WeakPolarHBondContact OE1-CE1 3.48Å; E67-Y159 PolarHBondContact OE1-OH 3.41Å; E67-Y159 VanDerWaalsContact OE1-OH 3.13Å; E67-Y159 PolarHBondContact OE2-OH 3.31Å |
| 68 | S | 90.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 68.1 Ų | 68.1 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 179 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | P63 T65 F72 | P63-S68 PolarHBondContact O-OG 3.46Å; T65-S68 PolarHBondContact N-OG 3.37Å; T65-S68 VanDerWaalsContact N-OG 3.15Å; T65-S68 PolarHBondContact O-N 2.86Å; T65-S68 PolarHBondContact O-OG 2.9Å; T65-S68 VanDerWaalsContact O-OG 3.07Å; T65-S68 WeakPolarHBondContact OG1-CB 3.37Å; T65-S68 PolarHBondContact OG1-N 3.02Å; T65-S68 PolarHBondContact OG1-OG 3.33Å; T65-S68 VanDerWaalsContact OG1-OG 3.1Å; S68-F72 VanDerWaalsContact O-CB 3.26Å; S68-F72 WeakPolarHBondContact O-CB 3.28Å; S68-F72 PolarHBondContact O-N 2.83Å |
| 69 | V | 92.1 | Very high | 91 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | P61 P64 T65 E67 F72 F73 | P61-V69 HydrophobicContact CG-CG2 4Å; P64-V69 HydrophobicContact CB-CG2 4.08Å; T65-V69 WeakPolarHBondContact O-CB 3.28Å; T65-V69 VanDerWaalsContact O-CG2 3.31Å; T65-V69 WeakPolarHBondContact O-CG2 3.41Å; T65-V69 PolarHBondContact O-N 2.92Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 3.2Å; V69-F72 PolarHBondContact O-N 2.81Å; V69-F73 VanDerWaalsContact O-CB 3.3Å; V69-F73 WeakPolarHBondContact O-CB 3.48Å; V69-F73 PolarHBondContact O-N 2.85Å |
| 70 | N | 91.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178 | -75.6 | -16.8 | 0 | 0 | 0 | 112 | M66 E67 F72 F73 M74 | M66-N70 VanDerWaalsContact O-CB 3.28Å; M66-N70 WeakPolarHBondContact O-CB 3.43Å; M66-N70 PolarHBondContact O-N 3.43Å; M66-N70 PolarHBondContact O-ND2 3.34Å; E67-N70 PolarHBondContact O-N 3.12Å; N70-F72 VanDerWaalsContact C-N 3.35Å; N70-F72 PolarHBondContact O-N 3.18Å; N70-F73 PolarHBondContact O-N 3.07Å; N70-M74 WeakPolarHBondContact O-CG 3.2Å; N70-M74 PolarHBondContact O-N 3.18Å |
| 71 | R | 92.6 | Very high | 91.3 | Very high | 124 Ų | 124 | 67.4 Ų | 67.4 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.9 | -172.6 | -174.2 | -174.7 | -149.2 | 16.2 | 111 | E67 M74 K75 Q158 D160 | E67-R71 PolarHBondContact O-N 2.9Å; R71-M74 PolarHBondContact O-N 3.11Å; R71-K75 WeakPolarHBondContact O-CB 3.47Å; R71-K75 PolarHBondContact O-N 3.45Å; R71-Q158 PolarHBondContact NH1-O 3.49Å; R71-D160 PolarHBondContact NH2-OXT 3.37Å |
| 72 | F | 93.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 71.7 Ų | 71.7 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.4 | 176.7 | -96.3 | 0 | 0 | 0 | 111.4 | I58 T59 F60 P61 S68 V69 N70 M74 K75 Q76 A102 | I58-F72 HydrophobicContact CG2-CE2 4.21Å; I58-F72 HydrophobicContact CG2-CZ 3.77Å; T59-F72 VanDerWaalsContact O-CE2 3.25Å; T59-F72 WeakPolarHBondContact O-CE2 3.38Å; F60-F72 HydrophobicContact CD1-CE1 4.13Å; F60-F72 AromaticContact CD1-CZ 3.89Å; F60-F72 HydrophobicContact CD1-CZ 3.89Å; F60-F72 HydrophobicContact CE1-CE1 4.37Å; F60-F72 HydrophobicContact CE1-CZ 4.17Å; P61-F72 HydrophobicContact CB-CB 4.31Å; P61-F72 HydrophobicContact CG-CB 3.92Å; P61-F72 HydrophobicContact CG-CD1 4.3Å; P61-F72 HydrophobicContact CG-CG 4.02Å; S68-F72 VanDerWaalsContact O-CB 3.26Å; S68-F72 WeakPolarHBondContact O-CB 3.28Å; S68-F72 PolarHBondContact O-N 2.83Å; V69-F72 PolarHBondContact O-N 2.81Å; N70-F72 VanDerWaalsContact C-N 3.35Å; N70-F72 PolarHBondContact O-N 3.18Å; F72-M74 PolarHBondContact O-N 2.88Å; F72-K75 PolarHBondContact O-N 3.36Å; F72-Q76 HydrophobicContact CD1-CG 4.09Å; F72-Q76 HydrophobicContact CD2-CG 4.29Å; F72-Q76 HydrophobicContact CE1-CG 3.7Å; F72-Q76 HydrophobicContact CE2-CG 3.92Å; F72-Q76 VanDerWaalsContact CE2-NE2 3.32Å; F72-Q76 HydrophobicContact CG-CG 4.38Å; F72-Q76 HydrophobicContact CZ-CG 3.61Å; F72-Q76 VanDerWaalsContact O-CG 3.31Å; F72-Q76 WeakPolarHBondContact O-CG 3.5Å; F72-Q76 PolarHBondContact O-N 3.45Å; F72-A102 HydrophobicContact CD1-CB 3.77Å; F72-A102 HydrophobicContact CE1-CB 3.7Å |
| 73 | F | 93.2 | Very high | 91.9 | Very high | 57 Ų | 57 | 71.1 Ų | 71.1 | 25% | 0.25 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 178.7 | -176 | -96.6 | 0 | 0 | 0 | 111.9 | V69 N70 K75 Q76 I77 A99 | V69-F73 VanDerWaalsContact O-CB 3.3Å; V69-F73 WeakPolarHBondContact O-CB 3.48Å; V69-F73 PolarHBondContact O-N 2.85Å; N70-F73 PolarHBondContact O-N 3.07Å; F73-K75 PolarHBondContact O-N 3.1Å; F73-Q76 PolarHBondContact O-N 3.29Å; F73-I77 HydrophobicContact CD1-CD1 3.66Å; F73-I77 HydrophobicContact CD1-CG1 4.48Å; F73-I77 HydrophobicContact CE1-CD1 3.14Å; F73-I77 HydrophobicContact CE1-CG1 4.24Å; F73-I77 HydrophobicContact CE2-CD1 4.42Å; F73-I77 HydrophobicContact CG-CD1 4.49Å; F73-I77 HydrophobicContact CZ-CD1 3.58Å; F73-I77 HydrophobicContact CZ-CG1 4.45Å; F73-I77 WeakPolarHBondContact O-CG1 3.42Å; F73-I77 PolarHBondContact O-N 2.84Å; F73-A99 HydrophobicContact CD2-CB 3.47Å; F73-A99 VanDerWaalsContact CD2-CB 3.47Å; F73-A99 HydrophobicContact CE2-CB 3.85Å; F73-A99 HydrophobicContact CG-CB 4.27Å |
| 74 | M | 94.3 | Very high | 92.3 | Very high | 132 Ų | 132 | 71.6 Ų | 71.6 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 178.2 | -66.8 | -58.5 | -128.2 | 0 | 0 | 112.3 | N70 R71 F72 Q76 I77 A78 | N70-M74 WeakPolarHBondContact O-CG 3.2Å; N70-M74 PolarHBondContact O-N 3.18Å; R71-M74 PolarHBondContact O-N 3.11Å; F72-M74 PolarHBondContact O-N 2.88Å; M74-Q76 VanDerWaalsContact C-N 3.33Å; M74-Q76 PolarHBondContact O-N 2.93Å; M74-I77 PolarHBondContact O-N 3.08Å; M74-A78 PolarHBondContact O-N 2.96Å |
| 75 | K | 93.9 | Very high | 92.8 | Very high | 137 Ų | 137 | 73.7 Ų | 73.7 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | 175.9 | -178.9 | 179.6 | 178.2 | 179.8 | 0 | 111.8 | R71 F72 F73 A78 S79 | R71-K75 WeakPolarHBondContact O-CB 3.47Å; R71-K75 PolarHBondContact O-N 3.45Å; F72-K75 PolarHBondContact O-N 3.36Å; F73-K75 PolarHBondContact O-N 3.1Å; K75-A78 PolarHBondContact O-N 2.99Å; K75-S79 WeakPolarHBondContact O-CB 3.23Å; K75-S79 PolarHBondContact O-N 3.37Å; K75-S79 PolarHBondContact O-OG 3.38Å |
| 76 | Q | 93.7 | Very high | 93 | Very high | 18 Ų | 18 | 79.2 Ų | 79.2 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.7 | -33.6 | 179.9 | -69.3 | -58.9 | -20 | 0 | 0 | 112.6 | F72 F73 M74 S80 C95 S98 A99 | F72-Q76 HydrophobicContact CD1-CG 4.09Å; F72-Q76 HydrophobicContact CD2-CG 4.29Å; F72-Q76 HydrophobicContact CE1-CG 3.7Å; F72-Q76 HydrophobicContact CE2-CG 3.92Å; F72-Q76 VanDerWaalsContact CE2-NE2 3.32Å; F72-Q76 HydrophobicContact CG-CG 4.38Å; F72-Q76 HydrophobicContact CZ-CG 3.61Å; F72-Q76 VanDerWaalsContact O-CG 3.31Å; F72-Q76 WeakPolarHBondContact O-CG 3.5Å; F72-Q76 PolarHBondContact O-N 3.45Å; F73-Q76 PolarHBondContact O-N 3.29Å; M74-Q76 VanDerWaalsContact C-N 3.33Å; M74-Q76 PolarHBondContact O-N 2.93Å; Q76-S80 VanDerWaalsContact O-CB 3.23Å; Q76-S80 WeakPolarHBondContact O-CB 3.29Å; Q76-S80 PolarHBondContact O-N 3.2Å; Q76-C95 WeakPolarHBondContact O-CB 3.47Å; Q76-C95 PolarHBondContact OE1-SG 3.33Å; Q76-S98 WeakPolarHBondContact CG-OG 3.31Å; Q76-S98 PolarHBondContact OE1-OG 2.84Å; Q76-A99 HydrophobicContact CB-CB 3.76Å; Q76-A99 HydrophobicContact CG-CB 4.43Å |
| 77 | I | 92.7 | Very high | 93.2 | Very high | 67 Ų | 67 | 74.7 Ų | 74.7 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 171.7 | -72 | 176.2 | 0 | 0 | 0 | 110.6 | F73 M74 S79 S80 D81 L96 | F73-I77 HydrophobicContact CD1-CD1 3.66Å; F73-I77 HydrophobicContact CD1-CG1 4.48Å; F73-I77 HydrophobicContact CE1-CD1 3.14Å; F73-I77 HydrophobicContact CE1-CG1 4.24Å; F73-I77 HydrophobicContact CE2-CD1 4.42Å; F73-I77 HydrophobicContact CG-CD1 4.49Å; F73-I77 HydrophobicContact CZ-CD1 3.58Å; F73-I77 HydrophobicContact CZ-CG1 4.45Å; F73-I77 WeakPolarHBondContact O-CG1 3.42Å; F73-I77 PolarHBondContact O-N 2.84Å; M74-I77 PolarHBondContact O-N 3.08Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 2.78Å; I77-S80 WeakPolarHBondContact O-CB 3.25Å; I77-S80 PolarHBondContact O-N 3.03Å; I77-S80 VanDerWaalsContact O-N 3.15Å; I77-D81 PolarHBondContact O-N 3.03Å; I77-L96 HydrophobicContact CG1-CD2 4.3Å |
| 78 | A | 94.5 | Very high | 93.4 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 51% | 0.512 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M74 K75 S80 D81 E82 | M74-A78 PolarHBondContact O-N 2.96Å; K75-A78 PolarHBondContact O-N 2.99Å; A78-S80 VanDerWaalsContact C-N 3.31Å; A78-S80 PolarHBondContact O-N 3.07Å; A78-D81 PolarHBondContact O-N 3.13Å; A78-E82 PolarHBondContact O-N 3.37Å |
| 79 | S | 93 | Very high | 93.6 | Very high | 33 Ų | 33 | 71.9 Ų | 71.9 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 112 | K75 I77 L83 | K75-S79 WeakPolarHBondContact O-CB 3.23Å; K75-S79 PolarHBondContact O-N 3.37Å; K75-S79 PolarHBondContact O-OG 3.38Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 2.78Å; S79-L83 WeakPolarHBondContact O-CB 3.4Å; S79-L83 VanDerWaalsContact O-CG 3.27Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 3.2Å |
| 80 | S | 93.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 74.9 Ų | 74.9 | 3% | 0.028 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | Q76 I77 A78 E82 L83 Y84 A92 L96 | Q76-S80 VanDerWaalsContact O-CB 3.23Å; Q76-S80 WeakPolarHBondContact O-CB 3.29Å; Q76-S80 PolarHBondContact O-N 3.2Å; I77-S80 WeakPolarHBondContact O-CB 3.25Å; I77-S80 PolarHBondContact O-N 3.03Å; I77-S80 VanDerWaalsContact O-N 3.15Å; A78-S80 VanDerWaalsContact C-N 3.31Å; A78-S80 PolarHBondContact O-N 3.07Å; S80-E82 VanDerWaalsContact C-N 3.35Å; S80-L83 PolarHBondContact O-N 3.38Å; S80-Y84 VanDerWaalsContact O-CB 3.29Å; S80-Y84 WeakPolarHBondContact O-CB 3.17Å; S80-Y84 PolarHBondContact O-N 2.97Å; S80-A92 WeakPolarHBondContact CB-O 3.41Å; S80-A92 VanDerWaalsContact O-CB 3.23Å; S80-A92 WeakPolarHBondContact O-CB 3.4Å; S80-A92 PolarHBondContact OG-O 3.39Å; S80-L96 WeakPolarHBondContact OG-CD1 3.44Å; S80-L96 VanDerWaalsContact OG-CG 3.25Å; S80-L96 WeakPolarHBondContact OG-CG 3.29Å |
| 81 | D | 93.7 | Very high | 93.8 | Very high | 97 Ų | 97 | 71.4 Ų | 71.4 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 177.7 | -171.9 | 44.8 | 0 | 0 | 0 | 111.3 | I77 A78 Y84 N85 | I77-D81 PolarHBondContact O-N 3.03Å; A78-D81 PolarHBondContact O-N 3.13Å; D81-Y84 PolarHBondContact O-N 3.12Å; D81-N85 WeakPolarHBondContact O-CB 3.41Å; D81-N85 VanDerWaalsContact O-CG 3.28Å; D81-N85 PolarHBondContact O-N 3.36Å; D81-N85 PolarHBondContact O-ND2 2.86Å; D81-N85 PolarHBondContact OD1-ND2 3.41Å |
| 82 | E | 94.7 | Very high | 93.9 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.7 | -52.3 | 174.7 | -175.6 | 175.7 | -169.8 | 0 | 0 | 111.7 | A78 S80 Y84 N85 Y86 | A78-E82 PolarHBondContact O-N 3.37Å; S80-E82 VanDerWaalsContact C-N 3.35Å; E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 3.31Å; E82-N85 PolarHBondContact O-N 3.18Å; E82-Y86 HydrophobicContact CG-CD2 3.78Å; E82-Y86 HydrophobicContact CG-CE2 3.56Å; E82-Y86 WeakPolarHBondContact O-CD2 3.27Å; E82-Y86 PolarHBondContact O-N 2.87Å |
| 83 | L | 93.6 | Very high | 94 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 179.7 | -73.6 | 170.8 | 0 | 0 | 0 | 112.2 | S79 S80 Y86 G87 D88 A92 | S79-L83 WeakPolarHBondContact O-CB 3.4Å; S79-L83 VanDerWaalsContact O-CG 3.27Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 3.2Å; S80-L83 PolarHBondContact O-N 3.38Å; L83-Y86 PolarHBondContact O-N 2.77Å; L83-G87 PolarHBondContact O-N 3.38Å; L83-D88 HydrophobicContact CB-CB 4.39Å; L83-D88 HydrophobicContact CD2-CB 4.25Å; L83-D88 WeakPolarHBondContact O-CA 3.46Å; L83-D88 PolarHBondContact O-N 3.12Å; L83-A92 HydrophobicContact CB-CB 3.99Å |
| 84 | Y | 95.3 | Very high | 94.1 | Very high | 62 Ų | 62 | 67.9 Ų | 67.9 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 177.8 | -174.5 | -99.6 | 0 | 0 | 0 | 111.3 | S80 D81 E82 Y86 G87 V89 P118 D120 L121 | S80-Y84 VanDerWaalsContact O-CB 3.29Å; S80-Y84 WeakPolarHBondContact O-CB 3.17Å; S80-Y84 PolarHBondContact O-N 2.97Å; D81-Y84 PolarHBondContact O-N 3.12Å; E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 3.31Å; Y84-Y86 VanDerWaalsContact C-N 3.26Å; Y84-Y86 PolarHBondContact O-N 2.75Å; Y84-G87 WeakPolarHBondContact O-CA 3.33Å; Y84-G87 PolarHBondContact O-N 3.09Å; Y84-V89 HydrophobicContact CD2-CG1 4.47Å; Y84-V89 HydrophobicContact CD2-CG2 4.18Å; Y84-V89 HydrophobicContact CE2-CG1 4.41Å; Y84-V89 HydrophobicContact CE2-CG2 4.12Å; Y84-P118 HydrophobicContact CE1-CB 4.44Å; Y84-P118 HydrophobicContact CE1-CG 3.9Å; Y84-P118 HydrophobicContact CE2-CB 4.3Å; Y84-P118 HydrophobicContact CE2-CG 4.43Å; Y84-P118 WeakPolarHBondContact OH-CB 3.3Å; Y84-P118 WeakPolarHBondContact OH-CG 3.09Å; Y84-D120 PolarHBondContact OH-OD1 2.91Å; Y84-D120 PolarHBondContact OH-OD2 3.27Å; Y84-L121 HydrophobicContact CD2-CB 4.17Å; Y84-L121 HydrophobicContact CD2-CD1 4.05Å; Y84-L121 HydrophobicContact CD2-CD2 4.05Å; Y84-L121 HydrophobicContact CD2-CG 4.31Å; Y84-L121 HydrophobicContact CE2-CB 3.93Å; Y84-L121 HydrophobicContact CE2-CD2 4.47Å; Y84-L121 HydrophobicContact CG-CD2 4.43Å |
| 85 | N | 95.2 | Very high | 94 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.4 | -27.4 | 176.1 | -71.8 | -41.3 | 0 | 0 | 0 | 113 | D81 E82 G87 | D81-N85 WeakPolarHBondContact O-CB 3.41Å; D81-N85 VanDerWaalsContact O-CG 3.28Å; D81-N85 PolarHBondContact O-N 3.36Å; D81-N85 PolarHBondContact O-ND2 2.86Å; D81-N85 PolarHBondContact OD1-ND2 3.41Å; E82-N85 PolarHBondContact O-N 3.18Å; N85-G87 VanDerWaalsContact C-N 3.28Å |
| 86 | Y | 93.2 | Very high | 94 | Very high | 184 Ų | 184 | 56.6 Ų | 56.6 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.5 | 169.8 | -81.3 | -67 | 0 | 0 | 0 | 114.2 | E82 L83 Y84 | E82-Y86 HydrophobicContact CG-CD2 3.78Å; E82-Y86 HydrophobicContact CG-CE2 3.56Å; E82-Y86 WeakPolarHBondContact O-CD2 3.27Å; E82-Y86 PolarHBondContact O-N 2.87Å; L83-Y86 PolarHBondContact O-N 2.77Å; Y84-Y86 VanDerWaalsContact C-N 3.26Å; Y84-Y86 PolarHBondContact O-N 2.75Å |
| 87 | G | 92.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | 8.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | L83 Y84 N85 V89 | L83-G87 PolarHBondContact O-N 3.38Å; Y84-G87 WeakPolarHBondContact O-CA 3.33Å; Y84-G87 PolarHBondContact O-N 3.09Å; N85-G87 VanDerWaalsContact C-N 3.28Å; G87-V89 PolarHBondContact O-N 3.39Å |
| 88 | D | 93.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | trans | -89.3 | 75.5 | 174.2 | -169.8 | -4.4 | 0 | 0 | 0 | 110.6 | L83 D90 G91 A92 | L83-D88 HydrophobicContact CB-CB 4.39Å; L83-D88 HydrophobicContact CD2-CB 4.25Å; L83-D88 WeakPolarHBondContact O-CA 3.46Å; L83-D88 PolarHBondContact O-N 3.12Å; D88-D90 PolarHBondContact O-N 3.16Å; D88-G91 PolarHBondContact O-N 3.36Å; D88-G91 PolarHBondContact OD1-N 2.87Å; D88-A92 WeakPolarHBondContact O-CB 3.43Å; D88-A92 PolarHBondContact O-N 2.99Å | ||
| 89 | V | 95.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | -177.2 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | Y84 G87 A92 A93 L121 A124 | Y84-V89 HydrophobicContact CD2-CG1 4.47Å; Y84-V89 HydrophobicContact CD2-CG2 4.18Å; Y84-V89 HydrophobicContact CE2-CG1 4.41Å; Y84-V89 HydrophobicContact CE2-CG2 4.12Å; G87-V89 PolarHBondContact O-N 3.39Å; V89-A92 PolarHBondContact O-N 3.16Å; V89-A93 VanDerWaalsContact O-CB 3.28Å; V89-A93 WeakPolarHBondContact O-CB 3.23Å; V89-A93 PolarHBondContact O-N 3.1Å; V89-L121 HydrophobicContact CG1-CB 4.45Å; V89-L121 HydrophobicContact CG1-CD1 4.03Å; V89-A124 HydrophobicContact CG1-CB 3.85Å |
| 90 | D | 94 | Very high | 94 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 177.7 | -75.7 | -47.7 | 0 | 0 | 0 | 111.4 | D88 R94 | D88-D90 PolarHBondContact O-N 3.16Å; D90-R94 PolarHBondContact O-N 3.14Å |
| 91 | G | 93 | Very high | 94 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | D88 A93 R94 C95 | D88-G91 PolarHBondContact O-N 3.36Å; D88-G91 PolarHBondContact OD1-N 2.87Å; G91-A93 VanDerWaalsContact C-N 3.3Å; G91-A93 PolarHBondContact O-N 3.45Å; G91-R94 WeakPolarHBondContact O-CB 3.48Å; G91-R94 PolarHBondContact O-N 3.14Å; G91-R94 VanDerWaalsContact O-N 3.13Å; G91-C95 PolarHBondContact O-N 3.41Å |
| 92 | A | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S80 L83 D88 V89 C95 L96 L121 | S80-A92 WeakPolarHBondContact CB-O 3.41Å; S80-A92 VanDerWaalsContact O-CB 3.23Å; S80-A92 WeakPolarHBondContact O-CB 3.4Å; S80-A92 PolarHBondContact OG-O 3.39Å; L83-A92 HydrophobicContact CB-CB 3.99Å; D88-A92 WeakPolarHBondContact O-CB 3.43Å; D88-A92 PolarHBondContact O-N 2.99Å; V89-A92 PolarHBondContact O-N 3.16Å; A92-C95 PolarHBondContact O-N 3.35Å; A92-L96 PolarHBondContact O-N 3.04Å; A92-L96 VanDerWaalsContact O-N 3.12Å; A92-L121 HydrophobicContact CB-CD1 3.6Å |
| 93 | A | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V89 G91 L96 A97 L121 A124 L125 V128 | V89-A93 VanDerWaalsContact O-CB 3.28Å; V89-A93 WeakPolarHBondContact O-CB 3.23Å; V89-A93 PolarHBondContact O-N 3.1Å; G91-A93 VanDerWaalsContact C-N 3.3Å; G91-A93 PolarHBondContact O-N 3.45Å; A93-L96 PolarHBondContact O-N 3.15Å; A93-A97 VanDerWaalsContact O-CB 3.29Å; A93-A97 WeakPolarHBondContact O-CB 3.43Å; A93-A97 PolarHBondContact O-N 3.41Å; A93-L121 HydrophobicContact CB-CD1 4.13Å; A93-A124 HydrophobicContact CB-CB 3.65Å; A93-L125 HydrophobicContact CB-CB 4.44Å; A93-V128 HydrophobicContact CB-CG2 3.92Å |
| 94 | R | 94.9 | Very high | 93 | Very high | 126 Ų | 126 | 42.8 Ų | 42.8 | 48% | 0.475 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.9 | -91.4 | -167.6 | 168.1 | 98.4 | -1.1 | 112.2 | I58 D90 G91 A97 S98 V128 M132 | I58-R94 HydrophobicContact CD1-CB 4.46Å; D90-R94 PolarHBondContact O-N 3.14Å; G91-R94 WeakPolarHBondContact O-CB 3.48Å; G91-R94 PolarHBondContact O-N 3.14Å; G91-R94 VanDerWaalsContact O-N 3.13Å; R94-A97 PolarHBondContact O-N 3.34Å; R94-S98 PolarHBondContact O-N 2.67Å; R94-V128 HydrophobicContact CG-CB 4.34Å; R94-V128 HydrophobicContact CG-CG1 4.36Å; R94-V128 HydrophobicContact CG-CG2 4.45Å; R94-M132 HydrophobicContact CB-CE 4.2Å; R94-M132 HydrophobicContact CG-CE 3.97Å |
| 95 | C | 94.1 | Very high | 92 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 175.6 | -74.7 | 0 | 0 | 0 | 0 | 111.2 | Q76 G91 A92 A97 S98 A99 | Q76-C95 WeakPolarHBondContact O-CB 3.47Å; Q76-C95 PolarHBondContact OE1-SG 3.33Å; G91-C95 PolarHBondContact O-N 3.41Å; A92-C95 PolarHBondContact O-N 3.35Å; C95-A97 PolarHBondContact O-N 2.96Å; C95-S98 PolarHBondContact O-N 2.97Å; C95-S98 PolarHBondContact O-OG 3.22Å; C95-A99 PolarHBondContact O-N 2.93Å |
| 96 | L | 93.9 | Very high | 90.9 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.6 | -73.8 | 169.5 | 0 | 0 | 0 | 112.6 | I77 S80 A92 A93 S98 A99 L100 M117 L121 L125 | I77-L96 HydrophobicContact CG1-CD2 4.3Å; S80-L96 WeakPolarHBondContact OG-CD1 3.44Å; S80-L96 VanDerWaalsContact OG-CG 3.25Å; S80-L96 WeakPolarHBondContact OG-CG 3.29Å; A92-L96 PolarHBondContact O-N 3.04Å; A92-L96 VanDerWaalsContact O-N 3.12Å; A93-L96 PolarHBondContact O-N 3.15Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 3.34Å; L96-A99 WeakPolarHBondContact O-CB 3.48Å; L96-A99 PolarHBondContact O-N 3.01Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.44Å; L96-M117 HydrophobicContact CD1-CE 3.8Å; L96-L121 HydrophobicContact CD1-CD1 4.5Å; L96-L121 HydrophobicContact CD1-CD2 3.8Å; L96-L121 HydrophobicContact CD1-CG 4.14Å; L96-L125 HydrophobicContact CB-CD1 4.14Å |
| 97 | A | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A93 R94 C95 L100 V101 L125 V128 F129 M132 | A93-A97 VanDerWaalsContact O-CB 3.29Å; A93-A97 WeakPolarHBondContact O-CB 3.43Å; A93-A97 PolarHBondContact O-N 3.41Å; R94-A97 PolarHBondContact O-N 3.34Å; C95-A97 PolarHBondContact O-N 2.96Å; A97-L100 PolarHBondContact O-N 3.22Å; A97-V101 WeakPolarHBondContact O-CG1 3.39Å; A97-V101 WeakPolarHBondContact O-CG2 3.47Å; A97-V101 PolarHBondContact O-N 3.04Å; A97-L125 HydrophobicContact CB-CD1 3.72Å; A97-V128 HydrophobicContact CB-CG2 3.95Å; A97-F129 HydrophobicContact CB-CD2 3.96Å; A97-M132 HydrophobicContact CB-CB 3.85Å; A97-M132 HydrophobicContact CB-CG 3.73Å |
| 98 | S | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 178.4 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | Q76 R94 C95 L96 L100 V101 A102 | Q76-S98 WeakPolarHBondContact CG-OG 3.31Å; Q76-S98 PolarHBondContact OE1-OG 2.84Å; R94-S98 PolarHBondContact O-N 2.67Å; C95-S98 PolarHBondContact O-N 2.97Å; C95-S98 PolarHBondContact O-OG 3.22Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 3.34Å; S98-L100 VanDerWaalsContact C-N 3.33Å; S98-L100 PolarHBondContact O-N 2.93Å; S98-V101 VanDerWaalsContact O-CG2 3.26Å; S98-V101 WeakPolarHBondContact O-CG2 3.36Å; S98-V101 PolarHBondContact O-N 3.12Å; S98-A102 VanDerWaalsContact O-CB 3.32Å; S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.41Å; S98-A102 VanDerWaalsContact O-N 3.08Å |
| 99 | A | 93.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F73 Q76 C95 L96 A102 S103 | F73-A99 HydrophobicContact CD2-CB 3.47Å; F73-A99 VanDerWaalsContact CD2-CB 3.47Å; F73-A99 HydrophobicContact CE2-CB 3.85Å; F73-A99 HydrophobicContact CG-CB 4.27Å; Q76-A99 HydrophobicContact CB-CB 3.76Å; Q76-A99 HydrophobicContact CG-CB 4.43Å; C95-A99 PolarHBondContact O-N 2.93Å; L96-A99 WeakPolarHBondContact O-CB 3.48Å; L96-A99 PolarHBondContact O-N 3.01Å; A99-A102 PolarHBondContact O-N 2.98Å; A99-S103 WeakPolarHBondContact O-CB 3.28Å; A99-S103 PolarHBondContact O-N 3.44Å; A99-S103 PolarHBondContact O-OG 2.75Å; A99-S103 VanDerWaalsContact O-OG 3.06Å |
| 100 | L | 92.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | -176.6 | -70.9 | 170.9 | 0 | 0 | 0 | 113.8 | L96 A97 S98 Q105 L110 L113 L125 F129 | L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.44Å; A97-L100 PolarHBondContact O-N 3.22Å; S98-L100 VanDerWaalsContact C-N 3.33Å; S98-L100 PolarHBondContact O-N 2.93Å; L100-Q105 PolarHBondContact O-N 3.32Å; L100-L110 HydrophobicContact CD1-CD2 4.46Å; L100-L113 HydrophobicContact CD1-CD1 3.69Å; L100-L113 HydrophobicContact CD2-CD1 3.93Å; L100-L113 HydrophobicContact CG-CD1 4.35Å; L100-L125 HydrophobicContact CD1-CD1 4.22Å; L100-L125 HydrophobicContact CD1-CD2 3.94Å; L100-F129 HydrophobicContact CB-CE2 3.74Å; L100-F129 HydrophobicContact CB-CZ 4.34Å; L100-F129 HydrophobicContact CD1-CE2 4.15Å |
| 101 | V | 92.9 | Very high | 88.1 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.4 | -35.3 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | F60 A97 S98 F129 M132 K133 F136 | F60-V101 HydrophobicContact CE1-CG2 3.65Å; F60-V101 HydrophobicContact CZ-CG2 3.93Å; A97-V101 WeakPolarHBondContact O-CG1 3.39Å; A97-V101 WeakPolarHBondContact O-CG2 3.47Å; A97-V101 PolarHBondContact O-N 3.04Å; S98-V101 VanDerWaalsContact O-CG2 3.26Å; S98-V101 WeakPolarHBondContact O-CG2 3.36Å; S98-V101 PolarHBondContact O-N 3.12Å; V101-F129 HydrophobicContact CG1-CD2 4.37Å; V101-F129 HydrophobicContact CG1-CE2 3.82Å; V101-F129 HydrophobicContact CG1-CZ 4.35Å; V101-M132 HydrophobicContact CG1-CG 4.32Å; V101-M132 HydrophobicContact CG2-CG 3.98Å; V101-K133 HydrophobicContact CG1-CB 4.47Å; V101-K133 HydrophobicContact CG1-CG 3.59Å; V101-F136 HydrophobicContact CB-CB 4.21Å; V101-F136 HydrophobicContact CB-CD1 4.3Å; V101-F136 HydrophobicContact CB-CG 4.2Å; V101-F136 HydrophobicContact CG2-CB 3.72Å; V101-F136 HydrophobicContact CG2-CD1 4.46Å; V101-F136 HydrophobicContact CG2-CD2 4.19Å; V101-F136 HydrophobicContact CG2-CG 3.88Å |
| 102 | A | 91.5 | Very high | 87.9 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.7 | -37.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F60 F72 S98 A99 G104 F136 | F60-A102 HydrophobicContact CD1-CB 4.18Å; F60-A102 HydrophobicContact CE1-CB 4.49Å; F72-A102 HydrophobicContact CD1-CB 3.77Å; F72-A102 HydrophobicContact CE1-CB 3.7Å; S98-A102 VanDerWaalsContact O-CB 3.32Å; S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.41Å; S98-A102 VanDerWaalsContact O-N 3.08Å; A99-A102 PolarHBondContact O-N 2.98Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-F136 HydrophobicContact CB-CE2 4.38Å |
| 103 | S | 88.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -79.9 | -12.7 | -177.6 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | A99 | A99-S103 WeakPolarHBondContact O-CB 3.28Å; A99-S103 PolarHBondContact O-N 3.44Å; A99-S103 PolarHBondContact O-OG 2.75Å; A99-S103 VanDerWaalsContact O-OG 3.06Å |
| 104 | G | 82 | Confident | 87.2 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | trans | 76.6 | 102.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A102 | A102-G104 VanDerWaalsContact C-N 3.34Š| ||
| 105 | Q | 72.5 | Confident | 87 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | trans | -62.5 | 137.8 | 178.7 | 48.1 | 167.2 | 28.1 | 0 | 0 | 112.8 | L100 K133 | L100-Q105 PolarHBondContact O-N 3.32Å; Q105-K133 VanDerWaalsContact NE2-NZ 3.16Å | ||
| 106 | S | 72.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | trans | -110.6 | 149.1 | 159.5 | 96.3 | 0 | 0 | 0 | 0 | 110.2 | E108 C109 | S106-E108 WeakPolarHBondContact CB-OE2 3.43Å; S106-E108 PolarHBondContact O-N 3.28Å; S106-E108 PolarHBondContact OG-N 3.48Å; S106-E108 PolarHBondContact OG-OE2 3.49Å; S106-C109 WeakPolarHBondContact O-CB 3.48Å; S106-C109 PolarHBondContact O-N 2.97Å; S106-C109 VanDerWaalsContact O-N 3.14Å; S106-C109 PolarHBondContact OG-N 3.26Å | ||
| 107 | P | 77.1 | Confident | 86.6 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56 | -32.5 | 175.4 | -25.4 | 35 | 0 | 0 | 0 | 113.4 | L110 N111 | P107-L110 PolarHBondContact O-N 2.87Å; P107-N111 PolarHBondContact O-N 3.38Å; P107-N111 PolarHBondContact O-ND2 3.38Å |
| 108 | E | 84 | Confident | 86.6 | Confident | 129 Ų | 129 | 58.4 Ų | 58.4 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 177.4 | -58.6 | 72.9 | -155.5 | 0 | 0 | 111.4 | S106 L110 N111 F112 | S106-E108 WeakPolarHBondContact CB-OE2 3.43Å; S106-E108 PolarHBondContact O-N 3.28Å; S106-E108 PolarHBondContact OG-N 3.48Å; S106-E108 PolarHBondContact OG-OE2 3.49Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.92Å; E108-N111 PolarHBondContact O-N 3.47Å; E108-F112 WeakPolarHBondContact O-CB 3.2Å; E108-F112 PolarHBondContact O-N 2.89Å |
| 109 | C | 82.5 | Confident | 86.5 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.9 | -175 | 0 | 0 | 0 | 0 | 111.6 | S106 N111 F112 L113 | S106-C109 WeakPolarHBondContact O-CB 3.48Å; S106-C109 PolarHBondContact O-N 2.97Å; S106-C109 VanDerWaalsContact O-N 3.14Å; S106-C109 PolarHBondContact OG-N 3.26Å; C109-N111 VanDerWaalsContact C-N 3.34Å; C109-N111 PolarHBondContact O-N 3.42Å; C109-F112 PolarHBondContact O-N 3.3Å; C109-L113 WeakPolarHBondContact O-CG 3.45Å; C109-L113 PolarHBondContact O-N 3.45Å |
| 110 | L | 81.4 | Confident | 86.7 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 178.4 | -68.7 | 170.1 | 0 | 0 | 0 | 112.6 | L100 P107 E108 R114 | L100-L110 HydrophobicContact CD1-CD2 4.46Å; P107-L110 PolarHBondContact O-N 2.87Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.92Å; L110-R114 PolarHBondContact O-N 3.43Å; L110-R114 VanDerWaalsContact O-N 3.09Å |
| 111 | N | 86 | Confident | 86.8 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 174.4 | -72.8 | -30.6 | 0 | 0 | 0 | 111.6 | P107 E108 C109 R114 G115 | P107-N111 PolarHBondContact O-N 3.38Å; P107-N111 PolarHBondContact O-ND2 3.38Å; E108-N111 PolarHBondContact O-N 3.47Å; C109-N111 VanDerWaalsContact C-N 3.34Å; C109-N111 PolarHBondContact O-N 3.42Å; N111-R114 PolarHBondContact O-N 3.44Å; N111-G115 PolarHBondContact O-N 3.38Å |
| 112 | F | 88.2 | Confident | 86.9 | Confident | 126 Ų | 126 | 67.5 Ų | 67.5 | 55% | 0.553 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60 | -48 | 173.7 | 175.6 | -97.3 | 0 | 0 | 0 | 111.4 | E108 C109 R114 G115 N116 | E108-F112 WeakPolarHBondContact O-CB 3.2Å; E108-F112 PolarHBondContact O-N 2.89Å; C109-F112 PolarHBondContact O-N 3.3Å; F112-R114 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 3.19Å; F112-G115 PolarHBondContact O-N 2.92Å; F112-G115 VanDerWaalsContact O-N 3.14Å; F112-N116 VanDerWaalsContact CD2-ND2 3.3Å; F112-N116 WeakPolarHBondContact CD2-ND2 3.32Å; F112-N116 HydrophobicContact CE1-CB 4.25Å; F112-N116 WeakPolarHBondContact CE2-ND2 3.26Å; F112-N116 HydrophobicContact CZ-CB 4.14Å; F112-N116 PolarHBondContact O-N 3.39Å; F112-N116 VanDerWaalsContact O-N 3.1Å; F112-N116 PolarHBondContact O-ND2 3.24Å |
| 113 | L | 87.2 | Confident | 87 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 14% | 0.141 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 177.9 | -73.5 | 176.7 | 0 | 0 | 0 | 111.8 | L100 C109 G115 N116 M117 L125 | L100-L113 HydrophobicContact CD1-CD1 3.69Å; L100-L113 HydrophobicContact CD2-CD1 3.93Å; L100-L113 HydrophobicContact CG-CD1 4.35Å; C109-L113 WeakPolarHBondContact O-CG 3.45Å; C109-L113 PolarHBondContact O-N 3.45Å; L113-G115 PolarHBondContact O-N 3.49Å; L113-G115 VanDerWaalsContact O-N 3.16Å; L113-N116 PolarHBondContact O-N 3.08Å; L113-N116 VanDerWaalsContact O-N 3.16Å; L113-M117 HydrophobicContact CB-SD 3.9Å; L113-M117 WeakPolarHBondContact O-CB 3.27Å; L113-M117 WeakPolarHBondContact O-CG 3.48Å; L113-M117 PolarHBondContact O-N 3.46Å; L113-L125 HydrophobicContact CD1-CD2 4.27Å |
| 114 | R | 88.5 | Confident | 87.4 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -54.8 | -36.1 | 177.5 | -174.4 | -175.9 | -55.8 | 172.7 | 5.9 | 113.3 | L110 N111 F112 F122 | L110-R114 PolarHBondContact O-N 3.43Å; L110-R114 VanDerWaalsContact O-N 3.09Å; N111-R114 PolarHBondContact O-N 3.44Å; F112-R114 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 3.19Å; R114-F122 HydrophobicContact CB-CD1 4.39Å; R114-F122 HydrophobicContact CB-CE1 3.84Å; R114-F122 HydrophobicContact CB-CE2 4.23Å; R114-F122 HydrophobicContact CB-CZ 3.75Å; R114-F122 HydrophobicContact CG-CD1 4.1Å; R114-F122 HydrophobicContact CG-CE1 3.6Å; R114-F122 HydrophobicContact CG-CZ 4.04Å |
| 115 | G | 90.4 | Very high | 88 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 67% | 0.67 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -87.5 | -21.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | N111 F112 L113 | N111-G115 PolarHBondContact O-N 3.38Å; F112-G115 PolarHBondContact O-N 2.92Å; F112-G115 VanDerWaalsContact O-N 3.14Å; L113-G115 PolarHBondContact O-N 3.49Å; L113-G115 VanDerWaalsContact O-N 3.16Å |
| 116 | N | 91.3 | Very high | 88.9 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 59% | 0.594 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -114.6 | -5.2 | -170.2 | -70.2 | -87.5 | 0 | 0 | 0 | 114.4 | F112 L113 | F112-N116 VanDerWaalsContact CD2-ND2 3.3Å; F112-N116 WeakPolarHBondContact CD2-ND2 3.32Å; F112-N116 HydrophobicContact CE1-CB 4.25Å; F112-N116 WeakPolarHBondContact CE2-ND2 3.26Å; F112-N116 HydrophobicContact CZ-CB 4.14Å; F112-N116 PolarHBondContact O-N 3.39Å; F112-N116 VanDerWaalsContact O-N 3.1Å; F112-N116 PolarHBondContact O-ND2 3.24Å; L113-N116 PolarHBondContact O-N 3.08Å; L113-N116 VanDerWaalsContact O-N 3.16Å |
| 117 | M | 89.3 | Confident | 90 | Very high | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -111.7 | 154.8 | 179.3 | 83.2 | -166.7 | -70.3 | 0 | 0 | 112.1 | L96 L113 L121 F122 L125 | L96-M117 HydrophobicContact CD1-CE 3.8Å; L113-M117 HydrophobicContact CB-SD 3.9Å; L113-M117 WeakPolarHBondContact O-CB 3.27Å; L113-M117 WeakPolarHBondContact O-CG 3.48Å; L113-M117 PolarHBondContact O-N 3.46Å; M117-L121 HydrophobicContact CE-CB 3.8Å; M117-L121 HydrophobicContact CE-CD2 3.7Å; M117-L121 HydrophobicContact CE-CG 3.39Å; M117-F122 HydrophobicContact CE-CB 4.19Å; M117-F122 HydrophobicContact CG-CB 3.75Å; M117-F122 HydrophobicContact CG-CD2 4.41Å; M117-F122 HydrophobicContact CG-CG 4.39Å; M117-F122 HydrophobicContact SD-CB 3.56Å; M117-F122 VanDerWaalsContact SD-CB 3.56Å; M117-F122 HydrophobicContact SD-CD2 3.38Å; M117-F122 WeakPolarHBondContact SD-CD2 3.41Å; M117-F122 HydrophobicContact SD-CE2 4.41Å; M117-F122 HydrophobicContact SD-CG 3.86Å; M117-L125 HydrophobicContact CE-CD2 4.21Å; M117-L125 HydrophobicContact SD-CD2 4.36Å |
| 118 | P | 93.4 | Very high | 90.8 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | trans | -53 | 136.5 | 171.5 | -27.7 | 36.8 | 0 | 0 | 0 | 112.3 | Y84 D120 L121 F122 | Y84-P118 HydrophobicContact CE1-CB 4.44Å; Y84-P118 HydrophobicContact CE1-CG 3.9Å; Y84-P118 HydrophobicContact CE2-CB 4.3Å; Y84-P118 HydrophobicContact CE2-CG 4.43Å; Y84-P118 WeakPolarHBondContact OH-CB 3.3Å; Y84-P118 WeakPolarHBondContact OH-CG 3.09Å; P118-D120 VanDerWaalsContact C-N 3.3Å; P118-D120 WeakPolarHBondContact CB-OD1 3.31Å; P118-D120 PolarHBondContact O-N 3.23Å; P118-L121 HydrophobicContact CB-CB 4.31Å; P118-L121 PolarHBondContact O-N 3.46Å; P118-F122 PolarHBondContact O-N 3.45Å; P118-F122 VanDerWaalsContact O-N 3.1Å | ||
| 119 | P | 92.7 | Very high | 91.2 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.2 | -37.5 | -174.3 | -26.7 | 34.5 | 0 | 0 | 0 | 114.4 | F122 V123 | P119-F122 PolarHBondContact O-N 3.06Å; P119-V123 WeakPolarHBondContact O-CG2 3.32Å; P119-V123 PolarHBondContact O-N 2.99Å |
| 120 | D | 95.8 | Very high | 91.7 | Very high | 75 Ų | 75 | 65.8 Ų | 65.8 | 40% | 0.401 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 177.5 | 61.2 | -34.1 | 0 | 0 | 0 | 111.9 | Y84 P118 F122 V123 A124 | Y84-D120 PolarHBondContact OH-OD1 2.91Å; Y84-D120 PolarHBondContact OH-OD2 3.27Å; P118-D120 VanDerWaalsContact C-N 3.3Å; P118-D120 WeakPolarHBondContact CB-OD1 3.31Å; P118-D120 PolarHBondContact O-N 3.23Å; D120-F122 VanDerWaalsContact C-N 3.3Å; D120-F122 PolarHBondContact O-N 3.45Å; D120-V123 PolarHBondContact O-N 3.31Å; D120-A124 PolarHBondContact O-N 2.82Å |
| 121 | L | 94.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63 | -37.3 | 174.5 | -173 | 60.8 | 0 | 0 | 0 | 111.5 | Y84 V89 A92 A93 L96 M117 P118 A124 L125 | Y84-L121 HydrophobicContact CD2-CB 4.17Å; Y84-L121 HydrophobicContact CD2-CD1 4.05Å; Y84-L121 HydrophobicContact CD2-CD2 4.05Å; Y84-L121 HydrophobicContact CD2-CG 4.31Å; Y84-L121 HydrophobicContact CE2-CB 3.93Å; Y84-L121 HydrophobicContact CE2-CD2 4.47Å; Y84-L121 HydrophobicContact CG-CD2 4.43Å; V89-L121 HydrophobicContact CG1-CB 4.45Å; V89-L121 HydrophobicContact CG1-CD1 4.03Å; A92-L121 HydrophobicContact CB-CD1 3.6Å; A93-L121 HydrophobicContact CB-CD1 4.13Å; L96-L121 HydrophobicContact CD1-CD1 4.5Å; L96-L121 HydrophobicContact CD1-CD2 3.8Å; L96-L121 HydrophobicContact CD1-CG 4.14Å; M117-L121 HydrophobicContact CE-CB 3.8Å; M117-L121 HydrophobicContact CE-CD2 3.7Å; M117-L121 HydrophobicContact CE-CG 3.39Å; P118-L121 HydrophobicContact CB-CB 4.31Å; P118-L121 PolarHBondContact O-N 3.46Å; L121-A124 PolarHBondContact O-N 3.43Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.25Å; L121-L125 PolarHBondContact O-N 2.91Å |
| 122 | F | 94.3 | Very high | 92.7 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 176.7 | -170.9 | -126.2 | 0 | 0 | 0 | 112.6 | R114 M117 P118 P119 D120 L125 K126 | R114-F122 HydrophobicContact CB-CD1 4.39Å; R114-F122 HydrophobicContact CB-CE1 3.84Å; R114-F122 HydrophobicContact CB-CE2 4.23Å; R114-F122 HydrophobicContact CB-CZ 3.75Å; R114-F122 HydrophobicContact CG-CD1 4.1Å; R114-F122 HydrophobicContact CG-CE1 3.6Å; R114-F122 HydrophobicContact CG-CZ 4.04Å; M117-F122 HydrophobicContact CE-CB 4.19Å; M117-F122 HydrophobicContact CG-CB 3.75Å; M117-F122 HydrophobicContact CG-CD2 4.41Å; M117-F122 HydrophobicContact CG-CG 4.39Å; M117-F122 HydrophobicContact SD-CB 3.56Å; M117-F122 VanDerWaalsContact SD-CB 3.56Å; M117-F122 HydrophobicContact SD-CD2 3.38Å; M117-F122 WeakPolarHBondContact SD-CD2 3.41Å; M117-F122 HydrophobicContact SD-CE2 4.41Å; M117-F122 HydrophobicContact SD-CG 3.86Å; P118-F122 PolarHBondContact O-N 3.45Å; P118-F122 VanDerWaalsContact O-N 3.1Å; P119-F122 PolarHBondContact O-N 3.06Å; D120-F122 VanDerWaalsContact C-N 3.3Å; D120-F122 PolarHBondContact O-N 3.45Å; F122-L125 HydrophobicContact CD2-CD2 4.38Å; F122-K126 HydrophobicContact CE1-CD 4.08Å; F122-K126 HydrophobicContact CZ-CD 4.25Å; F122-K126 VanDerWaalsContact O-CE 3.28Å; F122-K126 WeakPolarHBondContact O-CE 3.19Å; F122-K126 PolarHBondContact O-N 2.99Å |
| 123 | V | 95.2 | Very high | 92.9 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.1 | -46.4 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | P119 D120 L125 K126 K127 | P119-V123 WeakPolarHBondContact O-CG2 3.32Å; P119-V123 PolarHBondContact O-N 2.99Å; D120-V123 PolarHBondContact O-N 3.31Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 3.46Å; V123-K126 PolarHBondContact O-N 3.01Å; V123-K127 PolarHBondContact O-N 3.11Å; V123-K127 VanDerWaalsContact O-N 3.14Å |
| 124 | A | 95.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V89 A93 D120 L121 K126 K127 V128 | V89-A124 HydrophobicContact CG1-CB 3.85Å; A93-A124 HydrophobicContact CB-CB 3.65Å; D120-A124 PolarHBondContact O-N 2.82Å; L121-A124 PolarHBondContact O-N 3.43Å; A124-K126 PolarHBondContact O-N 3.24Å; A124-K127 WeakPolarHBondContact O-CB 3.16Å; A124-K127 PolarHBondContact O-N 2.88Å; A124-K127 VanDerWaalsContact O-N 3.11Å; A124-V128 PolarHBondContact O-N 3.01Å; A124-V128 VanDerWaalsContact O-N 3.08Å |
| 125 | L | 94.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.7 | -51.7 | 174.6 | 175.9 | 58.2 | 0 | 0 | 0 | 111.1 | A93 L96 A97 L100 L113 M117 L121 F122 V123 K127 V128 F129 | A93-L125 HydrophobicContact CB-CB 4.44Å; L96-L125 HydrophobicContact CB-CD1 4.14Å; A97-L125 HydrophobicContact CB-CD1 3.72Å; L100-L125 HydrophobicContact CD1-CD1 4.22Å; L100-L125 HydrophobicContact CD1-CD2 3.94Å; L113-L125 HydrophobicContact CD1-CD2 4.27Å; M117-L125 HydrophobicContact CE-CD2 4.21Å; M117-L125 HydrophobicContact SD-CD2 4.36Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.25Å; L121-L125 PolarHBondContact O-N 2.91Å; F122-L125 HydrophobicContact CD2-CD2 4.38Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 3.46Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-V128 WeakPolarHBondContact O-CG2 3.29Å; L125-V128 PolarHBondContact O-N 3.35Å; L125-F129 HydrophobicContact CD1-CD2 4.28Å; L125-F129 WeakPolarHBondContact O-CB 3.23Å; L125-F129 PolarHBondContact O-N 3.35Å |
| 126 | K | 92.7 | Very high | 93.6 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -33.4 | 177.9 | -86.2 | -180 | -83.3 | 179.5 | 0 | 113.3 | F122 V123 A124 P130 | F122-K126 HydrophobicContact CE1-CD 4.08Å; F122-K126 HydrophobicContact CZ-CD 4.25Å; F122-K126 VanDerWaalsContact O-CE 3.28Å; F122-K126 WeakPolarHBondContact O-CE 3.19Å; F122-K126 PolarHBondContact O-N 2.99Å; V123-K126 PolarHBondContact O-N 3.01Å; A124-K126 PolarHBondContact O-N 3.24Å; K126-P130 WeakPolarHBondContact O-CD 3.43Å |
| 127 | K | 95.2 | Very high | 93.6 | Very high | 147 Ų | 147 | 60.9 Ų | 60.9 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71 | -45.3 | 178 | -179 | -173.4 | 172.9 | -166.8 | 0 | 112.2 | V123 A124 L125 | V123-K127 PolarHBondContact O-N 3.11Å; V123-K127 VanDerWaalsContact O-N 3.14Å; A124-K127 WeakPolarHBondContact O-CB 3.16Å; A124-K127 PolarHBondContact O-N 2.88Å; A124-K127 VanDerWaalsContact O-N 3.11Å; L125-K127 PolarHBondContact O-N 2.93Å |
| 128 | V | 94.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 66 Ų | 66 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -85.8 | -18.6 | -175.2 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | A93 R94 A97 A124 L125 D131 M132 | A93-V128 HydrophobicContact CB-CG2 3.92Å; R94-V128 HydrophobicContact CG-CB 4.34Å; R94-V128 HydrophobicContact CG-CG1 4.36Å; R94-V128 HydrophobicContact CG-CG2 4.45Å; A97-V128 HydrophobicContact CB-CG2 3.95Å; A124-V128 PolarHBondContact O-N 3.01Å; A124-V128 VanDerWaalsContact O-N 3.08Å; L125-V128 WeakPolarHBondContact O-CG2 3.29Å; L125-V128 PolarHBondContact O-N 3.35Å; V128-D131 PolarHBondContact O-N 3.43Å; V128-M132 PolarHBondContact O-N 3.29Å; V128-M132 VanDerWaalsContact O-N 3.07Å |
| 129 | F | 92.2 | Very high | 93.7 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 10% | 0.096 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | -172.8 | -165.8 | -120.4 | 0 | 0 | 0 | 115.4 | A97 L100 V101 L125 M132 K133 | A97-F129 HydrophobicContact CB-CD2 3.96Å; L100-F129 HydrophobicContact CB-CE2 3.74Å; L100-F129 HydrophobicContact CB-CZ 4.34Å; L100-F129 HydrophobicContact CD1-CE2 4.15Å; V101-F129 HydrophobicContact CG1-CD2 4.37Å; V101-F129 HydrophobicContact CG1-CE2 3.82Å; V101-F129 HydrophobicContact CG1-CZ 4.35Å; L125-F129 HydrophobicContact CD1-CD2 4.28Å; L125-F129 WeakPolarHBondContact O-CB 3.23Å; L125-F129 PolarHBondContact O-N 3.35Å; F129-M132 PolarHBondContact O-N 2.69Å; F129-K133 HydrophobicContact CD1-CD 4.48Å; F129-K133 HydrophobicContact CE1-CD 4.32Å; F129-K133 VanDerWaalsContact CE1-NZ 3.25Å; F129-K133 PolarHBondContact O-N 3.32Å; F129-K133 VanDerWaalsContact O-N 3.14Å |
| 130 | P | 93.5 | Very high | 93.6 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 177.4 | -21.7 | 34.1 | 0 | 0 | 0 | 112.4 | K126 M132 K133 I134 | K126-P130 WeakPolarHBondContact O-CD 3.43Å; P130-M132 VanDerWaalsContact C-N 3.34Å; P130-M132 PolarHBondContact O-N 3.14Å; P130-K133 WeakPolarHBondContact O-CB 3.37Å; P130-K133 PolarHBondContact O-N 2.64Å; P130-I134 PolarHBondContact O-N 3.32Å |
| 131 | D | 93.3 | Very high | 93.4 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 179.5 | -62.9 | -16.3 | 0 | 0 | 0 | 110.7 | V128 K133 I134 E135 | V128-D131 PolarHBondContact O-N 3.43Å; D131-K133 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 3.4Å; D131-I134 PolarHBondContact O-N 3.36Å; D131-I134 VanDerWaalsContact O-N 3.12Å; D131-E135 PolarHBondContact O-N 3.23Å |
| 132 | M | 93.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 178.3 | -168.7 | 59.1 | 58.5 | 0 | 0 | 112.9 | I58 F60 R94 A97 V101 V128 F129 P130 I134 E135 F136 | I58-M132 HydrophobicContact CD1-CE 3.64Å; I58-M132 HydrophobicContact CD1-SD 4.05Å; F60-M132 HydrophobicContact CZ-SD 3.79Å; R94-M132 HydrophobicContact CB-CE 4.2Å; R94-M132 HydrophobicContact CG-CE 3.97Å; A97-M132 HydrophobicContact CB-CB 3.85Å; A97-M132 HydrophobicContact CB-CG 3.73Å; V101-M132 HydrophobicContact CG1-CG 4.32Å; V101-M132 HydrophobicContact CG2-CG 3.98Å; V128-M132 PolarHBondContact O-N 3.29Å; V128-M132 VanDerWaalsContact O-N 3.07Å; F129-M132 PolarHBondContact O-N 2.69Å; P130-M132 VanDerWaalsContact C-N 3.34Å; P130-M132 PolarHBondContact O-N 3.14Å; M132-I134 VanDerWaalsContact C-N 3.35Å; M132-E135 PolarHBondContact O-N 3.45Å; M132-F136 WeakPolarHBondContact O-CB 3.13Å; M132-F136 PolarHBondContact O-N 3.49Å |
| 133 | K | 92.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 30% | 0.3 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.4 | -77.6 | 179.4 | 173.5 | 178.9 | 0 | 112 | V101 Q105 F129 P130 D131 Q137 | V101-K133 HydrophobicContact CG1-CB 4.47Å; V101-K133 HydrophobicContact CG1-CG 3.59Å; Q105-K133 VanDerWaalsContact NE2-NZ 3.16Å; F129-K133 HydrophobicContact CD1-CD 4.48Å; F129-K133 HydrophobicContact CE1-CD 4.32Å; F129-K133 VanDerWaalsContact CE1-NZ 3.25Å; F129-K133 PolarHBondContact O-N 3.32Å; F129-K133 VanDerWaalsContact O-N 3.14Å; P130-K133 WeakPolarHBondContact O-CB 3.37Å; P130-K133 PolarHBondContact O-N 2.64Å; D131-K133 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 3.4Å; K133-Q137 WeakPolarHBondContact O-CG 3.49Å; K133-Q137 PolarHBondContact O-N 2.97Å; K133-Q137 VanDerWaalsContact O-N 3.11Å |
| 134 | I | 94.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 45% | 0.451 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 178.7 | -61 | 169.6 | 0 | 0 | 0 | 109.4 | P130 D131 M132 F136 Q137 Q138 | P130-I134 PolarHBondContact O-N 3.32Å; D131-I134 PolarHBondContact O-N 3.36Å; D131-I134 VanDerWaalsContact O-N 3.12Å; M132-I134 VanDerWaalsContact C-N 3.35Å; I134-F136 PolarHBondContact O-N 2.95Å; I134-Q137 PolarHBondContact O-N 2.98Å; I134-Q138 HydrophobicContact CG2-CG 4.43Å; I134-Q138 WeakPolarHBondContact O-CG 3.3Å; I134-Q138 PolarHBondContact O-N 2.96Å |
| 135 | E | 92.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.4 | -171.1 | 174.7 | 173.2 | 0 | 0 | 111.7 | D131 M132 Q138 A139 | D131-E135 PolarHBondContact O-N 3.23Å; M132-E135 PolarHBondContact O-N 3.45Å; E135-Q138 PolarHBondContact O-N 3.45Å; E135-A139 VanDerWaalsContact O-CB 3.28Å; E135-A139 WeakPolarHBondContact O-CB 3.37Å; E135-A139 PolarHBondContact O-N 2.84Å |
| 136 | F | 93.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 72.6 Ų | 72.6 | 19% | 0.193 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175 | 176.4 | -112 | 0 | 0 | 0 | 112.4 | F60 V101 A102 M132 I134 Q138 A139 M140 | F60-F136 HydrophobicContact CB-CD2 4.22Å; F60-F136 HydrophobicContact CB-CE2 4.32Å; F60-F136 AromaticContact CD1-CD2 3.42Å; F60-F136 HydrophobicContact CD1-CD2 3.42Å; F60-F136 VanDerWaalsContact CD1-CD2 3.42Å; F60-F136 AromaticContact CD1-CE2 3.91Å; F60-F136 HydrophobicContact CD1-CE2 3.91Å; F60-F136 AromaticContact CD2-CD2 3.93Å; F60-F136 HydrophobicContact CD2-CD2 3.93Å; F60-F136 HydrophobicContact CE1-CB 4.22Å; F60-F136 AromaticContact CE1-CD2 3.59Å; F60-F136 HydrophobicContact CE1-CD2 3.59Å; F60-F136 HydrophobicContact CE1-CE2 4.4Å; F60-F136 HydrophobicContact CE1-CG 4.3Å; F60-F136 HydrophobicContact CE2-CB 3.97Å; F60-F136 HydrophobicContact CE2-CD2 4.09Å; F60-F136 AromaticContact CG-CD2 3.59Å; F60-F136 HydrophobicContact CG-CD2 3.59Å; F60-F136 HydrophobicContact CG-CE2 4.12Å; F60-F136 HydrophobicContact CZ-CB 3.78Å; F60-F136 AromaticContact CZ-CD2 3.92Å; F60-F136 HydrophobicContact CZ-CD2 3.92Å; F60-F136 HydrophobicContact CZ-CG 4.32Å; V101-F136 HydrophobicContact CB-CB 4.21Å; V101-F136 HydrophobicContact CB-CD1 4.3Å; V101-F136 HydrophobicContact CB-CG 4.2Å; V101-F136 HydrophobicContact CG2-CB 3.72Å; V101-F136 HydrophobicContact CG2-CD1 4.46Å; V101-F136 HydrophobicContact CG2-CD2 4.19Å; V101-F136 HydrophobicContact CG2-CG 3.88Å; A102-F136 HydrophobicContact CB-CE2 4.38Å; M132-F136 WeakPolarHBondContact O-CB 3.13Å; M132-F136 PolarHBondContact O-N 3.49Å; I134-F136 PolarHBondContact O-N 2.95Å; F136-Q138 VanDerWaalsContact C-N 3.34Å; F136-Q138 PolarHBondContact O-N 2.98Å; F136-A139 PolarHBondContact O-N 3.48Å; F136-M140 HydrophobicContact CD2-CG 3.9Å; F136-M140 HydrophobicContact CE1-CG 4.2Å; F136-M140 HydrophobicContact CE2-CG 3.55Å; F136-M140 HydrophobicContact CE2-SD 3.86Å; F136-M140 HydrophobicContact CG-CG 4.39Å; F136-M140 HydrophobicContact CZ-CG 3.71Å; F136-M140 HydrophobicContact CZ-SD 4.26Å; F136-M140 WeakPolarHBondContact O-CB 3.31Å; F136-M140 VanDerWaalsContact O-CG 3.23Å; F136-M140 WeakPolarHBondContact O-CG 3.44Å; F136-M140 PolarHBondContact O-N 2.84Å |
| 137 | Q | 92.4 | Very high | 91.2 | Very high | 133 Ų | 133 | 70 Ų | 70 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | 179.3 | -73.8 | 175.9 | -10.2 | 0 | 0 | 112.1 | K133 I134 A141 | K133-Q137 WeakPolarHBondContact O-CG 3.49Å; K133-Q137 PolarHBondContact O-N 2.97Å; K133-Q137 VanDerWaalsContact O-N 3.11Å; I134-Q137 PolarHBondContact O-N 2.98Å; Q137-A141 VanDerWaalsContact O-CB 3.29Å; Q137-A141 WeakPolarHBondContact O-CB 3.26Å; Q137-A141 PolarHBondContact O-N 2.64Å |
| 138 | Q | 93 | Very high | 90.4 | Very high | 131 Ų | 131 | 70.6 Ų | 70.6 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.9 | -45.6 | 177.4 | -71.4 | 175.8 | -6.6 | 0 | 0 | 111.7 | I134 E135 F136 A141 E142 | I134-Q138 HydrophobicContact CG2-CG 4.43Å; I134-Q138 WeakPolarHBondContact O-CG 3.3Å; I134-Q138 PolarHBondContact O-N 2.96Å; E135-Q138 PolarHBondContact O-N 3.45Å; F136-Q138 VanDerWaalsContact C-N 3.34Å; F136-Q138 PolarHBondContact O-N 2.98Å; Q138-A141 PolarHBondContact O-N 2.95Å; Q138-E142 PolarHBondContact O-N 3.01Å |
| 139 | A | 91.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F60 E135 F136 A141 E142 M143 | F60-A139 HydrophobicContact CD2-CB 3.83Å; F60-A139 HydrophobicContact CE2-CB 4.44Å; E135-A139 VanDerWaalsContact O-CB 3.28Å; E135-A139 WeakPolarHBondContact O-CB 3.37Å; E135-A139 PolarHBondContact O-N 2.84Å; F136-A139 PolarHBondContact O-N 3.48Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.48Å; A139-E142 PolarHBondContact O-N 3.44Å; A139-M143 WeakPolarHBondContact O-CG 3.3Å; A139-M143 PolarHBondContact O-N 3.28Å |
| 140 | M | 89.9 | Confident | 88.7 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 17% | 0.172 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.9 | -67.4 | -57.6 | -67.4 | 0 | 0 | 112.3 | F60 F62 P64 F136 M143 S144 | F60-M140 HydrophobicContact CB-SD 4.5Å; F62-M140 HydrophobicContact CD2-CE 3.56Å; F62-M140 HydrophobicContact CD2-SD 4.02Å; F62-M140 HydrophobicContact CE2-CE 3.96Å; P64-M140 HydrophobicContact CB-CE 4.15Å; P64-M140 HydrophobicContact CG-CE 3.73Å; F136-M140 HydrophobicContact CD2-CG 3.9Å; F136-M140 HydrophobicContact CE1-CG 4.2Å; F136-M140 HydrophobicContact CE2-CG 3.55Å; F136-M140 HydrophobicContact CE2-SD 3.86Å; F136-M140 HydrophobicContact CG-CG 4.39Å; F136-M140 HydrophobicContact CZ-CG 3.71Å; F136-M140 HydrophobicContact CZ-SD 4.26Å; F136-M140 WeakPolarHBondContact O-CB 3.31Å; F136-M140 VanDerWaalsContact O-CG 3.23Å; F136-M140 WeakPolarHBondContact O-CG 3.44Å; F136-M140 PolarHBondContact O-N 2.84Å; M140-M143 PolarHBondContact O-N 3.12Å; M140-S144 WeakPolarHBondContact O-CB 3.41Å; M140-S144 PolarHBondContact O-N 3.25Å |
| 141 | A | 91.3 | Very high | 87.4 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.8 | -31.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q137 Q138 A139 S144 K145 | Q137-A141 VanDerWaalsContact O-CB 3.29Å; Q137-A141 WeakPolarHBondContact O-CB 3.26Å; Q137-A141 PolarHBondContact O-N 2.64Å; Q138-A141 PolarHBondContact O-N 2.95Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.48Å; A141-S144 PolarHBondContact O-OG 2.98Å; A141-K145 VanDerWaalsContact O-CG 3.3Å; A141-K145 WeakPolarHBondContact O-CG 3.37Å; A141-K145 PolarHBondContact O-N 3.22Å |
| 142 | E | 90.9 | Very high | 85.9 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 173.5 | -170.5 | -175 | 155.6 | 0 | 0 | 111 | Q138 A139 S144 K145 K146 | Q138-E142 PolarHBondContact O-N 3.01Å; A139-E142 PolarHBondContact O-N 3.44Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 3.02Å; E142-K145 PolarHBondContact O-N 3.28Å; E142-K146 WeakPolarHBondContact O-CG 3.19Å; E142-K146 PolarHBondContact O-N 3.15Å; E142-K146 WeakPolarHBondContact OE1-CE 3.49Å; E142-K146 IonicContact OE1-NZ 2.69Å; E142-K146 PolarHBondContact OE1-NZ 3.5Å |
| 143 | M | 88.5 | Confident | 84 | Confident | 38 Ų | 38 | 85.3 Ų | 85.3 | 19% | 0.187 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 177.5 | -65.3 | -69.8 | -87.5 | 0 | 0 | 111 | F62 A139 M140 K145 K146 V147 F152 | F62-M143 HydrophobicContact CB-CB 4.35Å; F62-M143 HydrophobicContact CB-CE 3.5Å; F62-M143 HydrophobicContact CB-CG 4.38Å; F62-M143 HydrophobicContact CD1-CB 4.15Å; F62-M143 HydrophobicContact CD1-CE 4.24Å; F62-M143 HydrophobicContact CD2-CB 3.53Å; F62-M143 HydrophobicContact CD2-CG 4.33Å; F62-M143 HydrophobicContact CE1-CB 4.45Å; F62-M143 HydrophobicContact CE2-CB 3.82Å; F62-M143 HydrophobicContact CG-CB 3.71Å; F62-M143 HydrophobicContact CG-CE 3.97Å; F62-M143 HydrophobicContact CG-CG 4.27Å; F62-M143 HydrophobicContact CZ-CB 4.28Å; A139-M143 WeakPolarHBondContact O-CG 3.3Å; A139-M143 PolarHBondContact O-N 3.28Å; M140-M143 PolarHBondContact O-N 3.12Å; M143-K145 PolarHBondContact O-N 3.39Å; M143-K146 PolarHBondContact O-N 3.1Å; M143-V147 WeakPolarHBondContact O-CG2 3.28Å; M143-V147 PolarHBondContact O-N 3.44Å; M143-F152 HydrophobicContact CE-CD2 4.14Å; M143-F152 HydrophobicContact CE-CE2 3.32Å; M143-F152 HydrophobicContact CE-CZ 3.63Å; M143-F152 HydrophobicContact SD-CE2 4.21Å |
| 144 | S | 86.1 | Confident | 82.2 | Confident | 45 Ų | 45 | 87.4 Ų | 87.4 | 32% | 0.315 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.1 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | M140 A141 E142 K146 V147 E148 | M140-S144 WeakPolarHBondContact O-CB 3.41Å; M140-S144 PolarHBondContact O-N 3.25Å; A141-S144 PolarHBondContact O-OG 2.98Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 3.02Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact O-N 3.07Å; S144-V147 PolarHBondContact O-N 3.35Å; S144-E148 WeakPolarHBondContact O-CG 3.42Å; S144-E148 PolarHBondContact O-N 2.62Å |
| 145 | K | 88.5 | Confident | 79.9 | Confident | 129 Ų | 129 | 87.3 Ų | 87.3 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.9 | -36.5 | 175.6 | -73.3 | 176.1 | -173 | -179.8 | 0 | 112.9 | A141 E142 M143 E148 K149 | A141-K145 VanDerWaalsContact O-CG 3.3Å; A141-K145 WeakPolarHBondContact O-CG 3.37Å; A141-K145 PolarHBondContact O-N 3.22Å; E142-K145 PolarHBondContact O-N 3.28Å; M143-K145 PolarHBondContact O-N 3.39Å; K145-E148 PolarHBondContact O-N 3.23Å; K145-K149 WeakPolarHBondContact O-CG 3.21Å; K145-K149 PolarHBondContact O-N 2.83Å; K145-K149 VanDerWaalsContact O-N 3.12Å |
| 146 | K | 85.1 | Confident | 77.7 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 32% | 0.317 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 176.8 | -73.7 | 177.8 | -177.4 | 167.3 | 0 | 111.9 | E142 M143 S144 K149 G150 E151 F152 | E142-K146 WeakPolarHBondContact O-CG 3.19Å; E142-K146 PolarHBondContact O-N 3.15Å; E142-K146 WeakPolarHBondContact OE1-CE 3.49Å; E142-K146 IonicContact OE1-NZ 2.69Å; E142-K146 PolarHBondContact OE1-NZ 3.5Å; M143-K146 PolarHBondContact O-N 3.1Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact O-N 3.07Å; K146-K149 PolarHBondContact O-N 2.88Å; K146-G150 PolarHBondContact O-N 3.29Å; K146-E151 PolarHBondContact O-N 3.19Å; K146-F152 HydrophobicContact CB-CB 4.35Å; K146-F152 PolarHBondContact O-N 2.98Å |
| 147 | V | 82.2 | Confident | 75.4 | Confident | 64 Ų | 64 | 95.7 Ų | 95.7 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | F62 M143 S144 K149 G150 F152 | F62-V147 HydrophobicContact CD1-CG2 4.29Å; F62-V147 HydrophobicContact CE1-CG2 3.29Å; F62-V147 HydrophobicContact CZ-CG2 3.71Å; M143-V147 WeakPolarHBondContact O-CG2 3.28Å; M143-V147 PolarHBondContact O-N 3.44Å; S144-V147 PolarHBondContact O-N 3.35Å; V147-K149 PolarHBondContact O-N 3.17Å; V147-G150 PolarHBondContact O-N 3.13Å; V147-F152 HydrophobicContact CB-CB 4.36Å; V147-F152 HydrophobicContact CG2-CB 3.64Å; V147-F152 HydrophobicContact CG2-CD1 3.75Å; V147-F152 HydrophobicContact CG2-CG 3.89Å |
| 148 | E | 79.1 | Confident | 73.2 | Confident | 159 Ų | 159 | 95.8 Ų | 95.8 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -35.2 | 176.5 | -73.8 | 172.1 | -174.9 | 0 | 0 | 112.6 | S144 K145 G150 | S144-E148 WeakPolarHBondContact O-CG 3.42Å; S144-E148 PolarHBondContact O-N 2.62Å; K145-E148 PolarHBondContact O-N 3.23Å; E148-G150 PolarHBondContact O-N 3.09Å |
| 149 | K | 81.3 | Confident | 71.1 | Confident | 158 Ų | 158 | 96.4 Ų | 96.4 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.7 | 175.3 | -72.6 | 179.3 | 179.1 | -175.3 | 0 | 114.2 | K145 K146 V147 E151 | K145-K149 WeakPolarHBondContact O-CG 3.21Å; K145-K149 PolarHBondContact O-N 2.83Å; K145-K149 VanDerWaalsContact O-N 3.12Å; K146-K149 PolarHBondContact O-N 2.88Å; V147-K149 PolarHBondContact O-N 3.17Å; K149-E151 HydrophobicContact CB-CG 4.38Å; K149-E151 PolarHBondContact O-N 3.42Å |
| 150 | G | 70.2 | Confident | 68.4 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 13.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K146 V147 E148 F152 | K146-G150 PolarHBondContact O-N 3.29Å; V147-G150 PolarHBondContact O-N 3.13Å; E148-G150 PolarHBondContact O-N 3.09Å; G150-F152 VanDerWaalsContact C-N 3.35Å |
| 151 | E | 64.4 | Low | 67.3 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | trans | -81.7 | -16.5 | 176.7 | -77.9 | -177.1 | 146.9 | 0 | 0 | 112.5 | K146 K149 V153 | K146-E151 PolarHBondContact O-N 3.19Å; K149-E151 HydrophobicContact CB-CG 4.38Å; K149-E151 PolarHBondContact O-N 3.42Å; E151-V153 PolarHBondContact O-N 3Å | ||
| 152 | F | 61.9 | Low | 66 | Low | 58 Ų | 58 | 111.3 Ų | 111.3 | 25% | 0.254 | 57% | 0.566 | S | S | . | * | trans | -93.2 | 93.4 | 179.1 | -162.5 | -105.2 | 0 | 0 | 0 | 110.8 | F62 M143 K146 V147 G150 L154 | F62-F152 HydrophobicContact CD1-CD1 4.07Å; F62-F152 AromaticContact CD1-CE1 3.54Å; F62-F152 HydrophobicContact CD1-CE1 3.54Å; F62-F152 AromaticContact CD1-CZ 3.9Å; F62-F152 HydrophobicContact CD1-CZ 3.9Å; F62-F152 HydrophobicContact CE1-CD1 4.19Å; F62-F152 HydrophobicContact CE1-CE1 4.08Å; M143-F152 HydrophobicContact CE-CD2 4.14Å; M143-F152 HydrophobicContact CE-CE2 3.32Å; M143-F152 HydrophobicContact CE-CZ 3.63Å; M143-F152 HydrophobicContact SD-CE2 4.21Å; K146-F152 HydrophobicContact CB-CB 4.35Å; K146-F152 PolarHBondContact O-N 2.98Å; V147-F152 HydrophobicContact CB-CB 4.36Å; V147-F152 HydrophobicContact CG2-CB 3.64Å; V147-F152 HydrophobicContact CG2-CD1 3.75Å; V147-F152 HydrophobicContact CG2-CG 3.89Å; G150-F152 VanDerWaalsContact C-N 3.35Å; F152-L154 HydrophobicContact CD1-CD2 4.05Å; F152-L154 HydrophobicContact CD1-CG 4.4Å; F152-L154 HydrophobicContact CE1-CD2 3.62Å; F152-L154 HydrophobicContact CE1-CG 4.37Å; F152-L154 PolarHBondContact O-N 2.96Å | ||
| 153 | V | 53.8 | Low | 64.6 | Low | 107 Ų | 107 | 111.5 Ų | 111.5 | 65% | 0.648 | 57% | 0.57 | S | S | * | * | trans | -74.4 | 116.5 | 163.5 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | E151 T155 | E151-V153 PolarHBondContact O-N 3Å; V153-T155 HydrophobicContact CB-CG2 4.41Å; V153-T155 HydrophobicContact CG1-CG2 3.95Å; V153-T155 PolarHBondContact O-N 3.29Å | ||
| 154 | L | 56.6 | Low | 63.2 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | trans | -61.6 | 89.2 | 164.8 | -66.8 | 165.5 | 0 | 0 | 0 | 107 | P63 F152 D156 | P63-L154 HydrophobicContact CG-CD2 3.89Å; F152-L154 HydrophobicContact CD1-CD2 4.05Å; F152-L154 HydrophobicContact CD1-CG 4.4Å; F152-L154 HydrophobicContact CE1-CD2 3.62Å; F152-L154 HydrophobicContact CE1-CG 4.37Å; F152-L154 PolarHBondContact O-N 2.96Å; L154-D156 PolarHBondContact O-N 3.4Å | ||
| 155 | T | 46.8 | Very low | 61.8 | Low | 86 Ų | 86 | 120.3 Ų | 120.3 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | trans | -79.2 | 118.4 | 172.7 | 45.6 | 0 | 0 | 0 | 0 | 107.8 | V153 E157 | V153-T155 HydrophobicContact CB-CG2 4.41Å; V153-T155 HydrophobicContact CG1-CG2 3.95Å; V153-T155 PolarHBondContact O-N 3.29Å; T155-E157 PolarHBondContact O-N 3.31Å | ||
| 156 | D | 45.2 | Very low | 60 | Low | 145 Ų | 145 | 119.7 Ų | 119.7 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -58.5 | -5.6 | 170.7 | -74.9 | -40.7 | 0 | 0 | 0 | 113 | L154 Q158 Y159 | L154-D156 PolarHBondContact O-N 3.4Å; D156-Q158 PolarHBondContact O-N 2.83Å; D156-Y159 PolarHBondContact O-N 3.41Å; D156-Y159 VanDerWaalsContact O-N 3.09Å |
| 157 | E | 45.9 | Very low | 58.2 | Low | 157 Ų | 157 | 123 Ų | 123 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 17.6 | 178.8 | -80.1 | -168.9 | 145.8 | 0 | 0 | 115.5 | T155 | T155-E157 PolarHBondContact O-N 3.31Š|
| 158 | Q | 46 | Very low | 56.4 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 13.8 | 165.5 | -68.5 | -66.4 | -75.4 | 0 | 0 | 112.9 | R71 D156 | R71-Q158 PolarHBondContact NH1-O 3.49Å; D156-Q158 PolarHBondContact O-N 2.83Å |
| 159 | Y | 47.9 | Very low | 54.5 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 57% | 0.569 | 65% | 0.645 | S | S | * | * | trans | -95.4 | -5.5 | 174.4 | -105.2 | -92.7 | 0 | 0 | 0 | 117.1 | E67 D156 | E67-Y159 WeakPolarHBondContact OE1-CE1 3.48Å; E67-Y159 PolarHBondContact OE1-OH 3.41Å; E67-Y159 VanDerWaalsContact OE1-OH 3.13Å; E67-Y159 PolarHBondContact OE2-OH 3.31Å; D156-Y159 PolarHBondContact O-N 3.41Å; D156-Y159 VanDerWaalsContact O-N 3.09Å | ||
| 160 | D | 34.3 | Very low | 52.1 | Low | 197 Ų | 197 | 121.9 Ų | 121.9 | 100% | 1.053 | 64% | 0.642 | S | S | * | * | trans | -93 | 0 | 171.3 | -60 | -35.3 | 0 | 0 | 0 | 112 | R71 | R71-D160 PolarHBondContact NH2-OXT 3.37Š|
Retrieved 160 of 160 residues in 381.5 ms
(Link to these results)