| 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 | A | 49.8 | Very low | 45.3 | Very low | 130 Ų | 130 | 111.2 Ų | 111.2 | 100% | 1.074 | 65% | 0.646 | S | S | * | * | 0 | -31.4 | 0 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2 | D | 48.2 | Very low | 45.8 | Very low | 131 Ų | 131 | 110.5 Ų | 110.5 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -84.1 | -15.2 | -173.6 | -61.1 | -51.3 | 0 | 0 | 0 | 116.9 | ||
| 3 | M | 44 | Very low | 46.1 | Very low | 176 Ų | 176 | 110.5 Ų | 110.5 | 87% | 0.867 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.4 | -25.8 | -177.9 | -118.6 | 172.2 | 67 | 0 | 0 | 114.4 | ||
| 4 | E | 42.9 | Very low | 46.6 | Very low | 170 Ų | 170 | 105.1 Ų | 105.1 | 79% | 0.794 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.1 | -27.9 | 175.9 | -75.3 | -173.4 | 151.5 | 0 | 0 | 112.3 | C8 | E4-C8 PolarHBondContact O-N 2.85Å |
| 5 | L | 40.9 | Very low | 47 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.2 | -38 | 176.8 | -151.5 | 79.2 | 0 | 0 | 0 | 111.6 | C8 I9 | L5-C8 PolarHBondContact O-N 3.47Å; L5-I9 HydrophobicContact CD2-CD1 4.43Å; L5-I9 HydrophobicContact CG-CD1 4.17Å; L5-I9 WeakPolarHBondContact O-CB 3.45Å; L5-I9 WeakPolarHBondContact O-CD1 3.4Å; L5-I9 WeakPolarHBondContact O-CG1 3.33Å; L5-I9 PolarHBondContact O-N 3.12Å |
| 6 | F | 43.7 | Very low | 47.8 | Very low | 162 Ų | 162 | 107.4 Ų | 107.4 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.8 | -35.9 | 177.4 | -95.4 | -85.3 | 0 | 0 | 0 | 113.6 | S10 | F6-S10 VanDerWaalsContact O-CB 3.25Å; F6-S10 WeakPolarHBondContact O-CB 3.5Å; F6-S10 PolarHBondContact O-N 3.28Å |
| 7 | G | 43.2 | Very low | 48.8 | Very low | 46 Ų | 46 | 104.5 Ų | 104.5 | 47% | 0.474 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.6 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S11 | G7-S11 WeakPolarHBondContact O-CB 3.38Å; G7-S11 PolarHBondContact O-N 3.17Å; G7-S11 VanDerWaalsContact O-N 3.17Å; G7-S11 PolarHBondContact O-OG 3.48Å |
| 8 | C | 42.3 | Very low | 49.8 | Very low | 70 Ų | 70 | 103.1 Ų | 103.1 | 47% | 0.473 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.4 | -38.1 | 175.9 | -141.7 | 0 | 0 | 0 | 0 | 111.8 | E4 L5 S11 I12 | E4-C8 PolarHBondContact O-N 2.85Å; L5-C8 PolarHBondContact O-N 3.47Å; C8-S11 WeakPolarHBondContact CA-OG 3.25Å; C8-S11 PolarHBondContact O-OG 3.35Å; C8-S11 VanDerWaalsContact O-OG 3.05Å; C8-I12 WeakPolarHBondContact O-CB 3.47Å; C8-I12 WeakPolarHBondContact O-CD1 2.99Å; C8-I12 WeakPolarHBondContact O-CG1 3.47Å; C8-I12 PolarHBondContact O-N 3.22Å |
| 9 | I | 48.3 | Very low | 51 | Low | 83 Ų | 83 | 102.9 Ų | 102.9 | 43% | 0.426 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.3 | -40.2 | 175.2 | -68.4 | 165.8 | 0 | 0 | 0 | 111.6 | L5 I12 L13 | L5-I9 HydrophobicContact CD2-CD1 4.43Å; L5-I9 HydrophobicContact CG-CD1 4.17Å; L5-I9 WeakPolarHBondContact O-CB 3.45Å; L5-I9 WeakPolarHBondContact O-CD1 3.4Å; L5-I9 WeakPolarHBondContact O-CG1 3.33Å; L5-I9 PolarHBondContact O-N 3.12Å; I9-I12 PolarHBondContact O-N 3.05Å; I9-L13 HydrophobicContact CG2-CD1 3.59Å; I9-L13 HydrophobicContact CG2-CG 4.31Å; I9-L13 VanDerWaalsContact O-CB 3.24Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 WeakPolarHBondContact O-CD1 3.45Å; I9-L13 VanDerWaalsContact O-CG 3.26Å; I9-L13 WeakPolarHBondContact O-CG 3.12Å; I9-L13 PolarHBondContact O-N 3.4Å |
| 10 | S | 46.2 | Very low | 52.3 | Low | 83 Ų | 83 | 102.6 Ų | 102.6 | 58% | 0.58 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | F6 G14 | F6-S10 VanDerWaalsContact O-CB 3.25Å; F6-S10 WeakPolarHBondContact O-CB 3.5Å; F6-S10 PolarHBondContact O-N 3.28Å; S10-G14 PolarHBondContact O-N 3.01Å |
| 11 | S | 49.1 | Very low | 53.5 | Low | 59 Ų | 59 | 102.9 Ų | 102.9 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.7 | -37.9 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | G7 C8 G14 Y15 | G7-S11 WeakPolarHBondContact O-CB 3.38Å; G7-S11 PolarHBondContact O-N 3.17Å; G7-S11 VanDerWaalsContact O-N 3.17Å; G7-S11 PolarHBondContact O-OG 3.48Å; C8-S11 WeakPolarHBondContact CA-OG 3.25Å; C8-S11 PolarHBondContact O-OG 3.35Å; C8-S11 VanDerWaalsContact O-OG 3.05Å; S11-G14 PolarHBondContact O-N 3.39Å; S11-Y15 WeakPolarHBondContact O-CB 3.42Å; S11-Y15 WeakPolarHBondContact O-CD2 3.28Å; S11-Y15 PolarHBondContact O-N 3.49Å |
| 12 | I | 50.7 | Low | 54.9 | Low | 103 Ų | 103 | 101 Ų | 101 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -40 | 173.4 | -67.9 | 166.9 | 0 | 0 | 0 | 111.7 | C8 I9 S16 | C8-I12 WeakPolarHBondContact O-CB 3.47Å; C8-I12 WeakPolarHBondContact O-CD1 2.99Å; C8-I12 WeakPolarHBondContact O-CG1 3.47Å; C8-I12 PolarHBondContact O-N 3.22Å; I9-I12 PolarHBondContact O-N 3.05Å; I12-S16 VanDerWaalsContact O-CB 3.3Å; I12-S16 WeakPolarHBondContact O-CB 3.41Å; I12-S16 PolarHBondContact O-N 3.19Å; I12-S16 PolarHBondContact O-OG 3.23Å |
| 13 | L | 49.9 | Very low | 56.4 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 58% | 0.581 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -39.9 | 174 | -78.9 | 164.4 | 0 | 0 | 0 | 111.8 | I9 S16 A17 | I9-L13 HydrophobicContact CG2-CD1 3.59Å; I9-L13 HydrophobicContact CG2-CG 4.31Å; I9-L13 VanDerWaalsContact O-CB 3.24Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 WeakPolarHBondContact O-CD1 3.45Å; I9-L13 VanDerWaalsContact O-CG 3.26Å; I9-L13 WeakPolarHBondContact O-CG 3.12Å; I9-L13 PolarHBondContact O-N 3.4Å; L13-S16 PolarHBondContact O-N 3.01Å; L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 2.96Å |
| 14 | G | 52.6 | Low | 58.2 | Low | 35 Ų | 35 | 92.6 Ų | 92.6 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S10 S11 A17 C18 | S10-G14 PolarHBondContact O-N 3.01Å; S11-G14 PolarHBondContact O-N 3.39Å; G14-A17 PolarHBondContact O-N 2.93Å; G14-C18 WeakPolarHBondContact O-CB 3.49Å; G14-C18 PolarHBondContact O-N 2.78Å |
| 15 | Y | 53.8 | Low | 60.1 | Low | 184 Ų | 184 | 89 Ų | 89 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 172.6 | -99.1 | -86.7 | 0 | 0 | 0 | 111.9 | S11 C18 V19 | S11-Y15 WeakPolarHBondContact O-CB 3.42Å; S11-Y15 WeakPolarHBondContact O-CD2 3.28Å; S11-Y15 PolarHBondContact O-N 3.49Å; Y15-C18 PolarHBondContact O-N 3.3Å; Y15-V19 VanDerWaalsContact O-CG2 3.3Å; Y15-V19 WeakPolarHBondContact O-CG2 3.27Å; Y15-V19 PolarHBondContact O-N 3.35Å |
| 16 | S | 58.8 | Low | 62.2 | Low | 62 Ų | 62 | 89.9 Ų | 89.9 | 43% | 0.434 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | I12 L13 V19 V20 | I12-S16 VanDerWaalsContact O-CB 3.3Å; I12-S16 WeakPolarHBondContact O-CB 3.41Å; I12-S16 PolarHBondContact O-N 3.19Å; I12-S16 PolarHBondContact O-OG 3.23Å; L13-S16 PolarHBondContact O-N 3.01Å; S16-V19 PolarHBondContact O-N 3.06Å; S16-V20 WeakPolarHBondContact O-CB 3.39Å; S16-V20 WeakPolarHBondContact O-CG2 3.27Å; S16-V20 PolarHBondContact O-N 3.15Å |
| 17 | A | 64.6 | Low | 64 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 G14 V20 L21 | L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 2.96Å; G14-A17 PolarHBondContact O-N 2.93Å; A17-V20 PolarHBondContact O-N 2.65Å; A17-L21 VanDerWaalsContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 2.83Å |
| 18 | C | 67.5 | Low | 66 | Low | 78 Ų | 78 | 83.1 Ų | 83.1 | 53% | 0.527 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.4 | -81.8 | 0 | 0 | 0 | 0 | 112.5 | G14 Y15 L21 T22 | G14-C18 WeakPolarHBondContact O-CB 3.49Å; G14-C18 PolarHBondContact O-N 2.78Å; Y15-C18 PolarHBondContact O-N 3.3Å; C18-L21 PolarHBondContact O-N 3.31Å; C18-T22 VanDerWaalsContact O-CB 3.29Å; C18-T22 WeakPolarHBondContact O-CB 3.24Å; C18-T22 PolarHBondContact O-N 3.12Å; C18-T22 PolarHBondContact O-OG1 2.89Å |
| 19 | V | 72.9 | Confident | 68 | Low | 101 Ų | 101 | 87.5 Ų | 87.5 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.5 | -43.4 | 176.2 | 171 | 0 | 0 | 0 | 0 | 110.9 | Y15 S16 T22 G23 | Y15-V19 VanDerWaalsContact O-CG2 3.3Å; Y15-V19 WeakPolarHBondContact O-CG2 3.27Å; Y15-V19 PolarHBondContact O-N 3.35Å; S16-V19 PolarHBondContact O-N 3.06Å; V19-T22 PolarHBondContact O-N 3.16Å; V19-G23 PolarHBondContact O-N 2.9Å |
| 20 | V | 76.1 | Confident | 69.7 | Low | 96 Ų | 96 | 88 Ų | 88 | 58% | 0.582 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | S16 A17 T22 G23 V24 | S16-V20 WeakPolarHBondContact O-CB 3.39Å; S16-V20 WeakPolarHBondContact O-CG2 3.27Å; S16-V20 PolarHBondContact O-N 3.15Å; A17-V20 PolarHBondContact O-N 2.65Å; V20-T22 PolarHBondContact O-N 2.77Å; V20-G23 PolarHBondContact O-N 2.75Å; V20-V24 HydrophobicContact CG1-CG2 4.39Å; V20-V24 WeakPolarHBondContact O-CB 3.38Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.49Å; V20-V24 PolarHBondContact O-N 2.97Å |
| 21 | L | 78.6 | Confident | 71.6 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 178.4 | -171.5 | 73 | 0 | 0 | 0 | 111.6 | A17 C18 G23 V24 L25 | A17-L21 VanDerWaalsContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CB 3.35Å; A17-L21 PolarHBondContact O-N 2.83Å; C18-L21 PolarHBondContact O-N 3.31Å; L21-G23 VanDerWaalsContact C-N 3.34Å; L21-V24 PolarHBondContact O-N 3.37Å; L21-L25 HydrophobicContact CG-CD1 4.22Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.46Å |
| 22 | T | 79.5 | Confident | 73.4 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | C18 V19 V20 L25 F26 | C18-T22 VanDerWaalsContact O-CB 3.29Å; C18-T22 WeakPolarHBondContact O-CB 3.24Å; C18-T22 PolarHBondContact O-N 3.12Å; C18-T22 PolarHBondContact O-OG1 2.89Å; V19-T22 PolarHBondContact O-N 3.16Å; V20-T22 PolarHBondContact O-N 2.77Å; T22-L25 PolarHBondContact O-N 3.14Å; T22-F26 VanDerWaalsContact O-CB 3.25Å; T22-F26 WeakPolarHBondContact O-CB 3.39Å; T22-F26 PolarHBondContact O-N 2.96Å |
| 23 | G | 79.5 | Confident | 75.2 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V19 V20 L21 F26 A27 | V19-G23 PolarHBondContact O-N 2.9Å; V20-G23 PolarHBondContact O-N 2.75Å; L21-G23 VanDerWaalsContact C-N 3.34Å; G23-F26 PolarHBondContact O-N 3.4Å; G23-A27 WeakPolarHBondContact O-CB 3.47Å; G23-A27 PolarHBondContact O-N 3.42Å |
| 24 | V | 81.3 | Confident | 77.1 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V20 L21 A27 A28 | V20-V24 HydrophobicContact CG1-CG2 4.39Å; V20-V24 WeakPolarHBondContact O-CB 3.38Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.49Å; V20-V24 PolarHBondContact O-N 2.97Å; L21-V24 PolarHBondContact O-N 3.37Å; V24-A27 PolarHBondContact O-N 3.26Å; V24-A28 VanDerWaalsContact O-CB 3.3Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 2.9Å |
| 25 | L | 83.6 | Confident | 78.9 | Confident | 94 Ų | 94 | 80 Ų | 80 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.8 | -74.8 | 170.6 | 0 | 0 | 0 | 111.6 | L21 T22 A28 Y29 I34 | L21-L25 HydrophobicContact CG-CD1 4.22Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.46Å; T22-L25 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 3.44Å; L25-Y29 VanDerWaalsContact O-CB 3.29Å; L25-Y29 WeakPolarHBondContact O-CB 3.43Å; L25-Y29 PolarHBondContact O-N 3.36Å; L25-I34 HydrophobicContact CD2-CD1 4.49Å |
| 26 | F | 83.8 | Confident | 80.7 | Confident | 132 Ų | 132 | 73.5 Ų | 73.5 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 175.1 | -176.9 | -107.3 | 0 | 0 | 0 | 111.9 | T22 G23 Y29 N30 | T22-F26 VanDerWaalsContact O-CB 3.25Å; T22-F26 WeakPolarHBondContact O-CB 3.39Å; T22-F26 PolarHBondContact O-N 2.96Å; G23-F26 PolarHBondContact O-N 3.4Å; F26-Y29 PolarHBondContact O-N 3.01Å; F26-N30 WeakPolarHBondContact CD1-ND2 3.46Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.44Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.39Å; F26-N30 WeakPolarHBondContact O-CB 3.39Å; F26-N30 PolarHBondContact O-N 2.97Å; F26-N30 PolarHBondContact O-ND2 3.21Å |
| 27 | A | 82.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G23 V24 Y29 N30 L31 | G23-A27 WeakPolarHBondContact O-CB 3.47Å; G23-A27 PolarHBondContact O-N 3.42Å; V24-A27 PolarHBondContact O-N 3.26Å; A27-Y29 VanDerWaalsContact C-N 3.31Å; A27-Y29 PolarHBondContact O-N 2.52Å; A27-N30 PolarHBondContact O-N 3.49Å; A27-L31 VanDerWaalsContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CB 3.45Å; A27-L31 VanDerWaalsContact O-CG 3.27Å; A27-L31 WeakPolarHBondContact O-CG 3.49Å; A27-L31 PolarHBondContact O-N 3Å |
| 28 | A | 83.7 | Confident | 83.6 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V24 L25 G32 V33 I34 | V24-A28 VanDerWaalsContact O-CB 3.3Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 2.9Å; L25-A28 PolarHBondContact O-N 3.44Å; A28-G32 PolarHBondContact O-N 3.04Å; A28-V33 HydrophobicContact CB-CB 4.29Å; A28-V33 WeakPolarHBondContact O-CB 3.4Å; A28-V33 PolarHBondContact O-N 3.47Å; A28-I34 HydrophobicContact CB-CD1 4.27Å; A28-I34 HydrophobicContact CB-CG1 4.07Å |
| 29 | Y | 85.3 | Confident | 84.8 | Confident | 161 Ų | 161 | 80.2 Ų | 80.2 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.9 | -51.2 | 172.9 | 177.7 | -99.2 | 0 | 0 | 0 | 111.6 | L25 F26 A27 L31 G32 | L25-Y29 VanDerWaalsContact O-CB 3.29Å; L25-Y29 WeakPolarHBondContact O-CB 3.43Å; L25-Y29 PolarHBondContact O-N 3.36Å; F26-Y29 PolarHBondContact O-N 3.01Å; A27-Y29 VanDerWaalsContact C-N 3.31Å; A27-Y29 PolarHBondContact O-N 2.52Å; Y29-L31 VanDerWaalsContact C-N 3.31Å; Y29-L31 PolarHBondContact O-N 3.27Å; Y29-G32 WeakPolarHBondContact O-CA 3.5Å; Y29-G32 PolarHBondContact O-N 2.77Å |
| 30 | N | 83.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -32.5 | -179.6 | -71.8 | -27.8 | 0 | 0 | 0 | 113.1 | F26 A27 G32 | F26-N30 WeakPolarHBondContact CD1-ND2 3.46Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.44Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.39Å; F26-N30 WeakPolarHBondContact O-CB 3.39Å; F26-N30 PolarHBondContact O-N 2.97Å; F26-N30 PolarHBondContact O-ND2 3.21Å; A27-N30 PolarHBondContact O-N 3.49Å; N30-G32 PolarHBondContact O-N 2.94Å |
| 31 | L | 86.5 | Confident | 86.4 | Confident | 57 Ų | 57 | 81 Ų | 81 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -2.4 | 172.9 | -68.9 | 172.8 | 0 | 0 | 0 | 112.7 | A27 Y29 V33 W234 Y235 N238 | A27-L31 VanDerWaalsContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CB 3.45Å; A27-L31 VanDerWaalsContact O-CG 3.27Å; A27-L31 WeakPolarHBondContact O-CG 3.49Å; A27-L31 PolarHBondContact O-N 3Å; Y29-L31 VanDerWaalsContact C-N 3.31Å; Y29-L31 PolarHBondContact O-N 3.27Å; L31-V33 HydrophobicContact CB-CG2 4Å; L31-V33 PolarHBondContact O-N 2.75Å; L31-W234 HydrophobicContact CD1-CH2 4.15Å; L31-W234 HydrophobicContact CD1-CZ3 4.35Å; L31-Y235 HydrophobicContact CD2-CD2 4.2Å; L31-Y235 HydrophobicContact CD2-CE2 3.89Å; L31-N238 PolarHBondContact O-ND2 3.23Å |
| 32 | G | 87.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 13.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A28 Y29 N30 I34 Y35 Q36 | A28-G32 PolarHBondContact O-N 3.04Å; Y29-G32 WeakPolarHBondContact O-CA 3.5Å; Y29-G32 PolarHBondContact O-N 2.77Å; N30-G32 PolarHBondContact O-N 2.94Å; G32-I34 VanDerWaalsContact C-N 3.33Å; G32-I34 PolarHBondContact O-N 3.27Å; G32-Y35 PolarHBondContact O-N 2.79Å; G32-Q36 VanDerWaalsContact O-CG 3.3Å; G32-Q36 WeakPolarHBondContact O-CG 3.47Å; G32-Q36 PolarHBondContact O-N 3.27Å; G32-Q36 VanDerWaalsContact O-N 3.1Å; G32-Q36 PolarHBondContact O-NE2 3.17Å |
| 33 | V | 89.7 | Confident | 87.6 | Confident | 46 Ų | 46 | 79 Ų | 79 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | -179.6 | 178.1 | 0 | 0 | 0 | 0 | 110 | A28 L31 Y35 Q36 L37 W234 | A28-V33 HydrophobicContact CB-CB 4.29Å; A28-V33 WeakPolarHBondContact O-CB 3.4Å; A28-V33 PolarHBondContact O-N 3.47Å; L31-V33 HydrophobicContact CB-CG2 4Å; L31-V33 PolarHBondContact O-N 2.75Å; V33-Y35 PolarHBondContact O-N 3.43Å; V33-Q36 PolarHBondContact O-N 3.48Å; V33-L37 PolarHBondContact O-N 2.91Å; V33-W234 HydrophobicContact CG2-CH2 4.36Å; V33-W234 HydrophobicContact CG2-CZ2 4.3Å |
| 34 | I | 88.4 | Confident | 88.2 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 29% | 0.287 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 179.1 | -59.3 | 177.8 | 0 | 0 | 0 | 110.7 | L25 A28 G32 Q36 L37 F38 | L25-I34 HydrophobicContact CD2-CD1 4.49Å; A28-I34 HydrophobicContact CB-CD1 4.27Å; A28-I34 HydrophobicContact CB-CG1 4.07Å; G32-I34 VanDerWaalsContact C-N 3.33Å; G32-I34 PolarHBondContact O-N 3.27Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.49Å; I34-L37 WeakPolarHBondContact O-CB 3.2Å; I34-L37 PolarHBondContact O-N 3.32Å; I34-F38 HydrophobicContact CG2-CE2 4.25Å; I34-F38 VanDerWaalsContact O-CD2 3.32Å; I34-F38 WeakPolarHBondContact O-CD2 3.36Å |
| 35 | Y | 91.3 | Very high | 88.6 | Confident | 61 Ų | 61 | 83.2 Ų | 83.2 | 24% | 0.239 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | -179.8 | -170.1 | -94.3 | 0 | 0 | 0 | 111.6 | G32 V33 L37 F38 H39 R178 A245 | G32-Y35 PolarHBondContact O-N 2.79Å; V33-Y35 PolarHBondContact O-N 3.43Å; Y35-L37 PolarHBondContact O-N 3.4Å; Y35-F38 PolarHBondContact O-N 2.93Å; Y35-F38 VanDerWaalsContact O-N 3.09Å; Y35-H39 HydrophobicContact CD1-CB 3.89Å; Y35-H39 AromaticContact CD1-CD2 3.8Å; Y35-H39 AromaticContact CD2-CD2 3.54Å; Y35-H39 AromaticContact CD2-NE2 3.91Å; Y35-H39 HydrophobicContact CE1-CB 3.48Å; Y35-H39 VanDerWaalsContact CE1-CB 3.48Å; Y35-H39 AromaticContact CE1-CD2 3.53Å; Y35-H39 AromaticContact CE1-CG 3.45Å; Y35-H39 VanDerWaalsContact CE1-CG 3.45Å; Y35-H39 AromaticContact CE2-CD2 3.24Å; Y35-H39 WeakPolarHBondContact CE2-CD2 3.43Å; Y35-H39 AromaticContact CE2-CG 3.92Å; Y35-H39 AromaticContact CE2-NE2 3.31Å; Y35-H39 VanDerWaalsContact CE2-NE2 3.31Å; Y35-H39 WeakPolarHBondContact CE2-NE2 3.22Å; Y35-H39 AromaticContact CG-CD2 3.8Å; Y35-H39 AromaticContact CZ-CD2 3.23Å; Y35-H39 AromaticContact CZ-CE1 3.84Å; Y35-H39 AromaticContact CZ-CG 3.38Å; Y35-H39 AromaticContact CZ-ND1 3.76Å; Y35-H39 AromaticContact CZ-NE2 3.54Å; Y35-H39 PolarHBondContact O-CD2 3.46Å; Y35-H39 VanDerWaalsContact O-CD2 3.29Å; Y35-H39 PolarHBondContact O-N 3.28Å; Y35-H39 PolarHBondContact OH-ND1 3.3Å; Y35-R178 VanDerWaalsContact CE1-CD 3.4Å; Y35-R178 VanDerWaalsContact OH-CD 3.31Å; Y35-R178 WeakPolarHBondContact OH-CD 3.44Å; Y35-A245 HydrophobicContact CD1-CB 3.83Å; Y35-A245 HydrophobicContact CE1-CB 4Å; Y35-A245 WeakPolarHBondContact CE1-O 3.35Å |
| 36 | Q | 91.4 | Very high | 89.1 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.4 | -21.7 | 177.2 | -71.8 | 168.5 | 74.7 | 0 | 0 | 114.1 | G32 V33 I34 F38 N238 A245 | G32-Q36 VanDerWaalsContact O-CG 3.3Å; G32-Q36 WeakPolarHBondContact O-CG 3.47Å; G32-Q36 PolarHBondContact O-N 3.27Å; G32-Q36 VanDerWaalsContact O-N 3.1Å; G32-Q36 PolarHBondContact O-NE2 3.17Å; V33-Q36 PolarHBondContact O-N 3.48Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-Q36 PolarHBondContact O-N 3.49Å; Q36-F38 PolarHBondContact O-N 3.06Å; Q36-N238 PolarHBondContact NE2-OD1 2.96Å; Q36-A245 HydrophobicContact CG-CB 3.96Å |
| 37 | L | 90.4 | Very high | 89.7 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.4 | -28.9 | 174.4 | -65.7 | 173.9 | 0 | 0 | 0 | 112.2 | V33 I34 Y35 | V33-L37 PolarHBondContact O-N 2.91Å; I34-L37 WeakPolarHBondContact O-CB 3.2Å; I34-L37 PolarHBondContact O-N 3.32Å; Y35-L37 PolarHBondContact O-N 3.4Å |
| 38 | F | 93.2 | Very high | 90.4 | Very high | 158 Ų | 158 | 79.7 Ų | 79.7 | 69% | 0.693 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -105.1 | -22.3 | -176.8 | -60.1 | -74.7 | 0 | 0 | 0 | 113.1 | I34 Y35 Q36 | I34-F38 HydrophobicContact CG2-CE2 4.25Å; I34-F38 VanDerWaalsContact O-CD2 3.32Å; I34-F38 WeakPolarHBondContact O-CD2 3.36Å; Y35-F38 PolarHBondContact O-N 2.93Å; Y35-F38 VanDerWaalsContact O-N 3.09Å; Q36-F38 PolarHBondContact O-N 3.06Å |
| 39 | H | 93.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -122.7 | 124.7 | -173.8 | -61.8 | -85.4 | 0 | 0 | 0 | 111.1 | Y35 E249 | Y35-H39 HydrophobicContact CD1-CB 3.89Å; Y35-H39 AromaticContact CD1-CD2 3.8Å; Y35-H39 AromaticContact CD2-CD2 3.54Å; Y35-H39 AromaticContact CD2-NE2 3.91Å; Y35-H39 HydrophobicContact CE1-CB 3.48Å; Y35-H39 VanDerWaalsContact CE1-CB 3.48Å; Y35-H39 AromaticContact CE1-CD2 3.53Å; Y35-H39 AromaticContact CE1-CG 3.45Å; Y35-H39 VanDerWaalsContact CE1-CG 3.45Å; Y35-H39 AromaticContact CE2-CD2 3.24Å; Y35-H39 WeakPolarHBondContact CE2-CD2 3.43Å; Y35-H39 AromaticContact CE2-CG 3.92Å; Y35-H39 AromaticContact CE2-NE2 3.31Å; Y35-H39 VanDerWaalsContact CE2-NE2 3.31Å; Y35-H39 WeakPolarHBondContact CE2-NE2 3.22Å; Y35-H39 AromaticContact CG-CD2 3.8Å; Y35-H39 AromaticContact CZ-CD2 3.23Å; Y35-H39 AromaticContact CZ-CE1 3.84Å; Y35-H39 AromaticContact CZ-CG 3.38Å; Y35-H39 AromaticContact CZ-ND1 3.76Å; Y35-H39 AromaticContact CZ-NE2 3.54Å; Y35-H39 PolarHBondContact O-CD2 3.46Å; Y35-H39 VanDerWaalsContact O-CD2 3.29Å; Y35-H39 PolarHBondContact O-N 3.28Å; Y35-H39 PolarHBondContact OH-ND1 3.3Å; H39-E249 IonicContact CE1-OE1 3.69Å; H39-E249 IonicContact CE1-OE2 3.57Å; H39-E249 IonicContact CG-OE1 3.64Å; H39-E249 VanDerWaalsContact ND1-CD 3.34Å; H39-E249 IonicContact ND1-OE1 2.71Å; H39-E249 PolarHBondContact ND1-OE1 2.94Å; H39-E249 IonicContact ND1-OE2 3.22Å; H39-E249 PolarHBondContact ND1-OE2 3.47Å |
| 40 | K | 90.6 | Very high | 91.8 | Very high | 184 Ų | 184 | 71 Ų | 71 | 80% | 0.8 | 35% | 0.348 | S | S | * | . | trans | -81.2 | 149.8 | -176.7 | -66 | -177.1 | -179.2 | 177.2 | 0 | 111.7 | G246 | K40-G246 PolarHBondContact O-N 3.33Š| ||
| 41 | T | 92.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 17% | 0.172 | 33% | 0.334 | C | S | . | . | trans | -102.9 | 117.9 | 170.3 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | T43 Y211 M241 F244 A245 | T41-T43 HydrophobicContact CG2-CG2 4.18Å; T41-T43 PolarHBondContact O-N 3.32Å; T41-Y211 HydrophobicContact CG2-CD2 4.21Å; T41-Y211 HydrophobicContact CG2-CE2 4.08Å; T41-M241 HydrophobicContact CG2-SD 3.86Å; T41-M241 PolarHBondContact OG1-O 2.99Å; T41-F244 HydrophobicContact CG2-CB 3.6Å; T41-A245 WeakPolarHBondContact OG1-CA 3.4Å; T41-A245 PolarHBondContact OG1-N 3.07Å | ||
| 42 | E | 91.3 | Very high | 93.1 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | trans | -86.9 | 83.5 | -179.7 | -67.8 | 179.6 | -133.4 | 0 | 0 | 111.5 | K44 S45 | E42-K44 PolarHBondContact O-N 2.9Å; E42-S45 WeakPolarHBondContact O-CB 3.3Å; E42-S45 PolarHBondContact O-N 3.25Å | ||
| 43 | T | 90.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 66 Ų | 66 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.8 | -173.7 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | T41 Y211 M241 | T41-T43 HydrophobicContact CG2-CG2 4.18Å; T41-T43 PolarHBondContact O-N 3.32Å; T43-Y211 HydrophobicContact CG2-CD1 4.45Å; T43-Y211 HydrophobicContact CG2-CD2 4.49Å; T43-Y211 HydrophobicContact CG2-CE1 3.88Å; T43-Y211 HydrophobicContact CG2-CE2 3.88Å; T43-Y211 WeakPolarHBondContact O-CD1 3.4Å; T43-M241 HydrophobicContact CG2-CE 4.04Å; T43-M241 HydrophobicContact CG2-SD 4.3Å |
| 44 | K | 92.3 | Very high | 94 | Very high | 202 Ų | 202 | 63.9 Ų | 63.9 | 88% | 0.878 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -2.9 | 179.6 | -63.3 | -175.9 | 179.8 | -179.8 | 0 | 113.7 | E42 | E42-K44 PolarHBondContact O-N 2.9Š|
| 45 | S | 90.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 65 Ų | 65 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | trans | -69.9 | 135 | -177.6 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | E42 R47 | E42-S45 WeakPolarHBondContact O-CB 3.3Å; E42-S45 PolarHBondContact O-N 3.25Å; S45-R47 PolarHBondContact O-N 3.15Å; S45-R47 WeakPolarHBondContact OG-CB 3.29Å; S45-R47 WeakPolarHBondContact OG-CG 3.23Å; S45-R47 PolarHBondContact OG-N 2.91Å | ||
| 46 | P | 93.6 | Very high | 94.9 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | trans | -78.8 | -8 | 172.5 | 33.8 | -35.4 | 0 | 0 | 0 | 112.5 | ||||
| 47 | R | 96.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | trans | -64.3 | 153.6 | -176.8 | -63 | -175.9 | 71.2 | -174.3 | 1.1 | 112 | S45 E51 E55 W248 | S45-R47 PolarHBondContact O-N 3.15Å; S45-R47 WeakPolarHBondContact OG-CB 3.29Å; S45-R47 WeakPolarHBondContact OG-CG 3.23Å; S45-R47 PolarHBondContact OG-N 2.91Å; R47-E51 WeakPolarHBondContact CA-OE1 3.37Å; R47-E51 WeakPolarHBondContact CG-OE2 3.36Å; R47-E51 IonicContact CZ-OE2 2.95Å; R47-E51 IonicContact NE-OE2 3.74Å; R47-E51 PolarHBondContact NE-OE2 3.42Å; R47-E51 IonicContact NH2-OE2 3.89Å; R47-E55 IonicContact NH2-OE1 3.83Å; R47-W248 HydrophobicContact CB-CD2 3.96Å; R47-W248 HydrophobicContact CB-CE3 4.12Å; R47-W248 HydrophobicContact CB-CH2 3.94Å; R47-W248 HydrophobicContact CB-CZ2 3.73Å; R47-W248 HydrophobicContact CB-CZ3 4.11Å; R47-W248 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 48 | H | 97.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | trans | -143.2 | 153.6 | -175.8 | 68.6 | 63 | 0 | 0 | 0 | 111.5 | G50 E51 P75 L208 P210 | H48-G50 PolarHBondContact ND1-N 2.83Å; H48-G50 PolarHBondContact O-N 3.17Å; H48-G50 VanDerWaalsContact O-N 3.07Å; H48-E51 IonicContact CD2-OE1 3Å; H48-E51 WeakPolarHBondContact O-CB 3.22Å; H48-E51 PolarHBondContact O-N 2.99Å; H48-P75 PolarHBondContact CE1-O 2.81Å; H48-P75 VanDerWaalsContact CE1-O 3.31Å; H48-L208 VanDerWaalsContact CB-O 3.25Å; H48-L208 WeakPolarHBondContact CB-O 3.47Å; H48-P210 HydrophobicContact CB-CB 4.23Å | ||
| 49 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -24.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E51 S52 V53 T207 L208 | G49-E51 PolarHBondContact O-N 2.81Å; G49-S52 WeakPolarHBondContact O-CB 3.46Å; G49-S52 PolarHBondContact O-N 3.11Å; G49-S52 VanDerWaalsContact O-N 3.1Å; G49-V53 PolarHBondContact O-N 3.41Å; G49-T207 WeakPolarHBondContact CA-O 3.49Å; G49-L208 PolarHBondContact N-O 2.94Å; G49-L208 VanDerWaalsContact N-O 3.13Å |
| 50 | G | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.7 | -31.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H48 V53 A54 A79 | H48-G50 PolarHBondContact ND1-N 2.83Å; H48-G50 PolarHBondContact O-N 3.17Å; H48-G50 VanDerWaalsContact O-N 3.07Å; G50-V53 WeakPolarHBondContact O-CB 3.44Å; G50-V53 PolarHBondContact O-N 3.03Å; G50-A54 PolarHBondContact O-N 3.3Å; G50-A79 WeakPolarHBondContact O-CB 3.35Å |
| 51 | E | 98.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 48 Ų | 48 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 174.8 | -66.6 | 172 | -158.4 | 0 | 0 | 111.3 | R47 H48 G49 V53 A54 E55 A79 | R47-E51 WeakPolarHBondContact CA-OE1 3.37Å; R47-E51 WeakPolarHBondContact CG-OE2 3.36Å; R47-E51 IonicContact CZ-OE2 2.95Å; R47-E51 IonicContact NE-OE2 3.74Å; R47-E51 PolarHBondContact NE-OE2 3.42Å; R47-E51 IonicContact NH2-OE2 3.89Å; H48-E51 IonicContact CD2-OE1 3Å; H48-E51 WeakPolarHBondContact O-CB 3.22Å; H48-E51 PolarHBondContact O-N 2.99Å; G49-E51 PolarHBondContact O-N 2.81Å; E51-V53 VanDerWaalsContact C-N 3.28Å; E51-V53 PolarHBondContact O-N 3.4Å; E51-A54 PolarHBondContact O-N 3.22Å; E51-E55 WeakPolarHBondContact O-CG 3.29Å; E51-E55 PolarHBondContact O-N 2.95Å; E51-A79 HydrophobicContact CG-CB 4.42Å |
| 52 | S | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -34.8 | 177.6 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | G49 V56 | G49-S52 WeakPolarHBondContact O-CB 3.46Å; G49-S52 PolarHBondContact O-N 3.11Å; G49-S52 VanDerWaalsContact O-N 3.1Å; S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.04Å |
| 53 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -51.6 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | G49 G50 E51 E55 V56 L57 I76 L141 I180 L184 F203 L208 | G49-V53 PolarHBondContact O-N 3.41Å; G50-V53 WeakPolarHBondContact O-CB 3.44Å; G50-V53 PolarHBondContact O-N 3.03Å; E51-V53 VanDerWaalsContact C-N 3.28Å; E51-V53 PolarHBondContact O-N 3.4Å; V53-E55 PolarHBondContact O-N 3.22Å; V53-V56 PolarHBondContact O-N 3.03Å; V53-L57 HydrophobicContact CG1-CD1 4.04Å; V53-L57 HydrophobicContact CG1-CG 4.31Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 2.95Å; V53-I76 HydrophobicContact CB-CG1 4.4Å; V53-I76 HydrophobicContact CG1-CG1 4.35Å; V53-I76 HydrophobicContact CG1-CG2 3.86Å; V53-I76 HydrophobicContact CG2-CD1 4.46Å; V53-I76 HydrophobicContact CG2-CG1 4.21Å; V53-L141 HydrophobicContact CG1-CD1 4.13Å; V53-I180 HydrophobicContact CG2-CG2 3.63Å; V53-L184 HydrophobicContact CB-CD1 4.13Å; V53-L184 HydrophobicContact CG1-CD1 3.92Å; V53-L184 HydrophobicContact CG2-CD1 4.04Å; V53-F203 HydrophobicContact CG2-CD1 4.41Å; V53-F203 HydrophobicContact CG2-CE1 3.63Å; V53-F203 HydrophobicContact CG2-CZ 3.94Å; V53-L208 HydrophobicContact CG2-CD2 4.32Å |
| 54 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | G50 E51 V56 L57 R58 A79 C80 V83 | G50-A54 PolarHBondContact O-N 3.3Å; E51-A54 PolarHBondContact O-N 3.22Å; A54-V56 PolarHBondContact O-N 3.31Å; A54-L57 PolarHBondContact O-N 3.44Å; A54-R58 VanDerWaalsContact O-CB 3.32Å; A54-R58 WeakPolarHBondContact O-CB 3.46Å; A54-R58 PolarHBondContact O-N 2.92Å; A54-A79 VanDerWaalsContact CB-C 3.46Å; A54-A79 HydrophobicContact CB-CB 3.64Å; A54-A79 WeakPolarHBondContact CB-O 3.31Å; A54-C80 HydrophobicContact CB-CB 4.49Å; A54-V83 HydrophobicContact CB-CG1 4.38Å; A54-V83 HydrophobicContact CB-CG2 3.85Å |
| 55 | E | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 39 Ų | 39 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 175.1 | -76.3 | 174.5 | -169 | 0 | 0 | 111.8 | R47 E51 V53 A59 | R47-E55 IonicContact NH2-OE1 3.83Å; E51-E55 WeakPolarHBondContact O-CG 3.29Å; E51-E55 PolarHBondContact O-N 2.95Å; V53-E55 PolarHBondContact O-N 3.22Å; E55-A59 WeakPolarHBondContact O-CB 3.39Å; E55-A59 PolarHBondContact O-N 3.48Å |
| 56 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | S52 V53 A54 R58 A59 H60 V181 L184 R185 L188 V253 | S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.04Å; V53-V56 PolarHBondContact O-N 3.03Å; A54-V56 PolarHBondContact O-N 3.31Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 2.95Å; V56-A59 PolarHBondContact O-N 3.09Å; V56-H60 PolarHBondContact O-N 2.69Å; V56-H60 VanDerWaalsContact O-N 3.1Å; V56-H60 PolarHBondContact O-ND1 3.01Å; V56-V181 HydrophobicContact CG2-CB 4.19Å; V56-V181 HydrophobicContact CG2-CG1 3.98Å; V56-V181 HydrophobicContact CG2-CG2 4Å; V56-L184 HydrophobicContact CB-CB 4.41Å; V56-L184 HydrophobicContact CB-CD1 4.35Å; V56-L184 HydrophobicContact CG1-CB 3.78Å; V56-R185 HydrophobicContact CG1-CG 4.34Å; V56-L188 HydrophobicContact CG1-CD1 3.93Å; V56-V253 HydrophobicContact CG2-CB 4.25Å; V56-V253 HydrophobicContact CG2-CG1 3.97Å |
| 57 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | -179.9 | -65.6 | -177.3 | 0 | 0 | 0 | 111.4 | V53 A54 A59 H60 G61 I62 L65 I85 V112 L139 L141 | V53-L57 HydrophobicContact CG1-CD1 4.04Å; V53-L57 HydrophobicContact CG1-CG 4.31Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 2.95Å; A54-L57 PolarHBondContact O-N 3.44Å; L57-A59 PolarHBondContact O-N 2.98Å; L57-H60 CarbonylContact O-C 3.57Å; L57-H60 PolarHBondContact O-N 3Å; L57-G61 PolarHBondContact O-N 3.23Å; L57-I62 HydrophobicContact CB-CB 4.12Å; L57-I62 HydrophobicContact CB-CG1 4.19Å; L57-I62 HydrophobicContact CD2-CG1 4.2Å; L57-I62 WeakPolarHBondContact O-CB 3.35Å; L57-I62 VanDerWaalsContact O-CG1 3.32Å; L57-I62 WeakPolarHBondContact O-CG1 3.38Å; L57-I62 PolarHBondContact O-N 2.8Å; L57-I62 VanDerWaalsContact O-N 3.1Å; L57-L65 HydrophobicContact CD1-CD1 4.21Å; L57-I85 HydrophobicContact CB-CD1 3.66Å; L57-V112 HydrophobicContact CD1-CG1 4.27Å; L57-V112 HydrophobicContact CD2-CG1 4.46Å; L57-V112 HydrophobicContact CD2-CG2 4.32Å; L57-L139 HydrophobicContact CD2-CD2 3.78Å; L57-L141 HydrophobicContact CD1-CD1 4.27Å |
| 58 | R | 98.5 | Very high | 98.4 | Very high | 159 Ų | 159 | 32.3 Ų | 32.3 | 60% | 0.6 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.5 | 175.7 | 176.4 | 162.9 | -167.4 | -1.2 | 111.8 | A54 V56 H60 G61 V83 I85 | A54-R58 VanDerWaalsContact O-CB 3.32Å; A54-R58 WeakPolarHBondContact O-CB 3.46Å; A54-R58 PolarHBondContact O-N 2.92Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 2.95Å; R58-H60 PolarHBondContact O-N 3.12Å; R58-G61 PolarHBondContact O-N 3.07Å; R58-V83 HydrophobicContact CB-CG2 4.18Å; R58-I85 HydrophobicContact CB-CD1 4.46Å |
| 59 | A | 98.3 | Very high | 98.3 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63 | -22.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E55 V56 L57 V253 | E55-A59 WeakPolarHBondContact O-CB 3.39Å; E55-A59 PolarHBondContact O-N 3.48Å; V56-A59 PolarHBondContact O-N 3.09Å; L57-A59 PolarHBondContact O-N 2.98Å; A59-V253 HydrophobicContact CB-CB 4.02Å; A59-V253 HydrophobicContact CB-CG2 3.61Å; A59-V253 WeakPolarHBondContact CB-O 3.46Å |
| 60 | H | 97.9 | Very high | 98.2 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 15% | 0.148 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 11.5 | 175.6 | -67.1 | 67.6 | 0 | 0 | 0 | 113.1 | V56 L57 R58 I62 L188 V253 P255 | V56-H60 PolarHBondContact O-N 2.69Å; V56-H60 VanDerWaalsContact O-N 3.1Å; V56-H60 PolarHBondContact O-ND1 3.01Å; L57-H60 CarbonylContact O-C 3.57Å; L57-H60 PolarHBondContact O-N 3Å; R58-H60 PolarHBondContact O-N 3.12Å; H60-I62 VanDerWaalsContact C-N 3.29Å; H60-I62 HydrophobicContact CB-CG1 4.49Å; H60-I62 PolarHBondContact O-N 3.23Å; H60-L188 HydrophobicContact CB-CD1 4.07Å; H60-L188 VanDerWaalsContact CD2-CD1 3.43Å; H60-L188 WeakPolarHBondContact CD2-CD1 3.47Å; H60-V253 PolarHBondContact CE1-O 3.05Å; H60-P255 WeakPolarHBondContact NE2-CA 3.46Å |
| 61 | G | 97.2 | Very high | 98 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 17.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L57 R58 K63 | L57-G61 PolarHBondContact O-N 3.23Å; R58-G61 PolarHBondContact O-N 3.07Å; G61-K63 PolarHBondContact O-N 2.88Å |
| 62 | I | 98.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | -67.3 | 127.1 | 176.2 | -56.1 | -55 | 0 | 0 | 0 | 109.2 | L57 H60 F64 V110 V112 | L57-I62 HydrophobicContact CB-CB 4.12Å; L57-I62 HydrophobicContact CB-CG1 4.19Å; L57-I62 HydrophobicContact CD2-CG1 4.2Å; L57-I62 WeakPolarHBondContact O-CB 3.35Å; L57-I62 VanDerWaalsContact O-CG1 3.32Å; L57-I62 WeakPolarHBondContact O-CG1 3.38Å; L57-I62 PolarHBondContact O-N 2.8Å; L57-I62 VanDerWaalsContact O-N 3.1Å; H60-I62 VanDerWaalsContact C-N 3.29Å; H60-I62 HydrophobicContact CB-CG1 4.49Å; H60-I62 PolarHBondContact O-N 3.23Å; I62-F64 WeakPolarHBondContact CG2-O 3.31Å; I62-V110 HydrophobicContact CD1-CB 4.14Å; I62-V110 WeakPolarHBondContact CD1-O 3.46Å; I62-V112 HydrophobicContact CD1-CG2 3.86Å; I62-V112 HydrophobicContact CG1-CG2 4.01Å; I62-V112 HydrophobicContact CG2-CB 4.21Å; I62-V112 HydrophobicContact CG2-CG2 3.7Å | ||
| 63 | K | 98.1 | Very high | 97.8 | Very high | 153 Ų | 153 | 37 Ų | 37 | 67% | 0.665 | 21% | 0.205 | S | C | * | . | trans | -105.6 | -26.9 | -178.1 | -63.2 | -178.5 | -179 | 178.9 | 0 | 113.5 | G61 R86 | G61-K63 PolarHBondContact O-N 2.88Å; K63-R86 PolarHBondContact O-N 3.28Å | ||
| 64 | F | 98.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 39 Ų | 39 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138 | -173.2 | -50.8 | -67.3 | 0 | 0 | 0 | 110 | I62 F66 R86 V103 L504 | I62-F64 WeakPolarHBondContact CG2-O 3.31Å; F64-F66 HydrophobicContact CB-CE2 3.83Å; F64-F66 HydrophobicContact CB-CZ 3.94Å; F64-F66 HydrophobicContact CG-CZ 4.5Å; F64-R86 WeakPolarHBondContact CA-O 3.39Å; F64-R86 HydrophobicContact CD1-CB 4.01Å; F64-R86 HydrophobicContact CD1-CG 4.47Å; F64-R86 HydrophobicContact CE1-CB 4.44Å; F64-V103 HydrophobicContact CD2-CG1 4.38Å; F64-V103 HydrophobicContact CD2-CG2 4.26Å; F64-L504 HydrophobicContact CD1-CB 4.49Å; F64-L504 HydrophobicContact CD1-CD1 4.31Å; F64-L504 HydrophobicContact CE1-CB 4.1Å; F64-L504 HydrophobicContact CE1-CD2 4.14Å; F64-L504 HydrophobicContact CE2-CB 4.15Å; F64-L504 HydrophobicContact CZ-CB 3.91Å |
| 65 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 117.4 | 168.6 | -177.6 | 161.3 | 0 | 0 | 0 | 108.1 | L57 I76 L77 C80 I85 R86 I87 V88 V112 A114 L141 | L57-L65 HydrophobicContact CD1-CD1 4.21Å; L65-I76 HydrophobicContact CD1-CG2 3.97Å; L65-L77 HydrophobicContact CD2-CD2 3.44Å; L65-L77 VanDerWaalsContact CD2-CD2 3.44Å; L65-C80 HydrophobicContact CD1-CB 4.35Å; L65-I85 HydrophobicContact CB-CG2 4.01Å; L65-R86 PolarHBondContact N-O 2.98Å; L65-I87 HydrophobicContact CB-CD1 4.07Å; L65-I87 HydrophobicContact CD2-CD1 4.28Å; L65-V88 PolarHBondContact O-N 3.15Å; L65-V112 HydrophobicContact CD1-CG1 4.45Å; L65-V112 HydrophobicContact CG-CG1 4.29Å; L65-A114 HydrophobicContact CD1-CB 4.37Å; L65-A114 HydrophobicContact CD2-CB 3.78Å; L65-A114 HydrophobicContact CG-CB 4.33Å; L65-L141 HydrophobicContact CD1-CD1 4.45Å |
| 66 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 141.7 | -179.1 | -59.9 | -84.1 | 0 | 0 | 0 | 111.1 | F64 V88 A96 A99 A100 V103 V112 A113 A114 L500 L504 | F64-F66 HydrophobicContact CB-CE2 3.83Å; F64-F66 HydrophobicContact CB-CZ 3.94Å; F64-F66 HydrophobicContact CG-CZ 4.5Å; F66-V88 CarbonylContact C-O 3.6Å; F66-V88 VanDerWaalsContact CA-O 3.31Å; F66-V88 WeakPolarHBondContact CA-O 3.18Å; F66-V88 HydrophobicContact CD1-CB 3.67Å; F66-V88 HydrophobicContact CD1-CG1 3.84Å; F66-V88 HydrophobicContact CD1-CG2 4.38Å; F66-V88 HydrophobicContact CE1-CB 3.91Å; F66-V88 HydrophobicContact CE1-CG1 3.93Å; F66-V88 HydrophobicContact CE1-CG2 4.19Å; F66-A96 HydrophobicContact CB-CB 3.87Å; F66-A96 VanDerWaalsContact CB-O 3.24Å; F66-A96 WeakPolarHBondContact CB-O 3.48Å; F66-A99 HydrophobicContact CD1-CB 3.43Å; F66-A99 VanDerWaalsContact CD1-CB 3.43Å; F66-A99 HydrophobicContact CD2-CB 4.2Å; F66-A99 HydrophobicContact CE1-CB 3.49Å; F66-A99 VanDerWaalsContact CE1-CB 3.49Å; F66-A99 HydrophobicContact CE2-CB 4.25Å; F66-A99 HydrophobicContact CG-CB 3.8Å; F66-A99 HydrophobicContact CZ-CB 3.92Å; F66-A100 HydrophobicContact CD2-CB 3.87Å; F66-A100 HydrophobicContact CE2-CB 4.48Å; F66-V103 HydrophobicContact CE2-CB 4.32Å; F66-V103 HydrophobicContact CE2-CG2 3.61Å; F66-V103 HydrophobicContact CZ-CG2 3.61Å; F66-V112 WeakPolarHBondContact CD2-O 3.2Å; F66-V112 PolarHBondContact N-O 2.95Å; F66-V112 VanDerWaalsContact N-O 3.07Å; F66-A113 CarbonylContact O-C 3.22Å; F66-A113 WeakPolarHBondContact O-CA 3.48Å; F66-A114 PolarHBondContact O-N 2.71Å; F66-L500 HydrophobicContact CD1-CD2 4.27Å; F66-L500 HydrophobicContact CE1-CD2 4.24Å; F66-L500 HydrophobicContact CE1-CG 4.22Å; F66-L504 HydrophobicContact CE1-CD1 3.54Å; F66-L504 HydrophobicContact CZ-CD1 3.75Å |
| 67 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 155.1 | -174.2 | -169.5 | 0 | 0 | 0 | 0 | 113.6 | V69 I73 L77 I87 V88 D89 T90 A114 | T67-V69 HydrophobicContact CG2-CG1 4.01Å; T67-I73 WeakPolarHBondContact OG1-CD1 3.25Å; T67-L77 HydrophobicContact CG2-CD1 4.24Å; T67-L77 HydrophobicContact CG2-CD2 4.12Å; T67-I87 HydrophobicContact CG2-CG2 3.88Å; T67-V88 PolarHBondContact N-O 3.14Å; T67-D89 HydrophobicContact CG2-CB 4.04Å; T67-D89 CarbonylContact O-C 3.58Å; T67-D89 WeakPolarHBondContact O-CA 3.4Å; T67-T90 PolarHBondContact O-N 3Å; T67-T90 PolarHBondContact O-OG1 2.93Å; T67-A114 VanDerWaalsContact CA-O 3.29Å; T67-A114 WeakPolarHBondContact CA-O 3.46Å; T67-A114 WeakPolarHBondContact CB-O 3.41Å; T67-A114 PolarHBondContact OG1-O 2.79Å |
| 68 | L | 98.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.1 | 142 | -172.9 | 68.2 | 0 | 0 | 0 | 106.4 | T90 E93 | L68-T90 WeakPolarHBondContact CD1-O 3.22Å; L68-E93 HydrophobicContact CB-CG 3.77Å; L68-E93 VanDerWaalsContact CD2-CD 3.43Å; L68-E93 HydrophobicContact CD2-CG 4.27Å; L68-E93 VanDerWaalsContact CD2-OE1 3.24Å; L68-E93 WeakPolarHBondContact CD2-OE1 3.39Å |
| 69 | V | 95.7 | Very high | 97.8 | Very high | 91 Ų | 91 | 31.8 Ų | 31.8 | 55% | 0.552 | 20% | 0.198 | S | C | * | . | trans | -66.7 | 148.5 | -167.9 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | T67 L77 D89 | T67-V69 HydrophobicContact CG2-CG1 4.01Å; V69-L77 HydrophobicContact CB-CD1 4.4Å; V69-L77 HydrophobicContact CG1-CD1 3.95Å; V69-D89 HydrophobicContact CG1-CB 4.28Å | ||
| 70 | G | 95 | Very high | 97.8 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | trans | -165.4 | 159.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | H72 I73 S74 | G70-H72 VanDerWaalsContact C-N 3.26Å; G70-H72 PolarHBondContact O-N 2.95Å; G70-I73 WeakPolarHBondContact O-CG1 3.19Å; G70-I73 PolarHBondContact O-N 3.45Å; G70-S74 PolarHBondContact O-N 2.79Å; G70-S74 PolarHBondContact O-OG 3.02Å | ||
| 71 | G | 94.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 34.6 Ų | 34.6 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -59.6 | -33.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I73 Y209 | G71-I73 VanDerWaalsContact C-N 3.26Å; G71-I73 PolarHBondContact O-N 3.17Å; G71-Y209 WeakPolarHBondContact O-CE2 3.45Å; G71-Y209 PolarHBondContact O-OH 3.46Å |
| 72 | H | 96.9 | Very high | 97.9 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.2 | -25 | -176.7 | -60.3 | 88.6 | 0 | 0 | 0 | 114 | G70 T116 Q156 I205 L208 | G70-H72 VanDerWaalsContact C-N 3.26Å; G70-H72 PolarHBondContact O-N 2.95Å; H72-T116 PolarHBondContact ND1-OG1 2.98Å; H72-Q156 PolarHBondContact CE1-OE1 3.27Å; H72-Q156 VanDerWaalsContact CE1-OE1 3.28Å; H72-I205 HydrophobicContact CB-CG2 3.92Å; H72-I205 WeakPolarHBondContact CD2-CG2 3.38Å; H72-L208 VanDerWaalsContact O-CD1 3.25Å; H72-L208 WeakPolarHBondContact O-CD1 3.14Å |
| 73 | I | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -115.3 | 0.3 | -176.4 | 57.4 | 156.8 | 0 | 0 | 0 | 113.6 | T67 G70 G71 P75 I76 L77 A114 V115 | T67-I73 WeakPolarHBondContact OG1-CD1 3.25Å; G70-I73 WeakPolarHBondContact O-CG1 3.19Å; G70-I73 PolarHBondContact O-N 3.45Å; G71-I73 VanDerWaalsContact C-N 3.26Å; G71-I73 PolarHBondContact O-N 3.17Å; I73-P75 VanDerWaalsContact C-CD 3.43Å; I73-P75 VanDerWaalsContact C-N 3.32Å; I73-I76 WeakPolarHBondContact O-CB 3.2Å; I73-I76 PolarHBondContact O-N 3.34Å; I73-L77 HydrophobicContact CD1-CD1 4.07Å; I73-L77 HydrophobicContact CD1-CD2 4.21Å; I73-L77 HydrophobicContact CD1-CG 4.23Å; I73-L77 HydrophobicContact CG1-CD1 4.45Å; I73-L77 PolarHBondContact O-N 2.81Å; I73-A114 HydrophobicContact CD1-CB 3.89Å; I73-V115 WeakPolarHBondContact CG2-O 3.16Å |
| 74 | S | 98.1 | Very high | 97.9 | Very high | 42 Ų | 42 | 36.9 Ų | 36.9 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -52.8 | -40.3 | -174.2 | -63.3 | 0 | 0 | 0 | 0 | 114 | G70 I76 L77 V78 | G70-S74 PolarHBondContact O-N 2.79Å; G70-S74 PolarHBondContact O-OG 3.02Å; S74-I76 VanDerWaalsContact C-N 3.27Å; S74-I76 PolarHBondContact O-N 3.37Å; S74-L77 PolarHBondContact O-N 3.04Å; S74-V78 WeakPolarHBondContact O-CG2 3.29Å; S74-V78 PolarHBondContact O-N 3.14Å; S74-V78 VanDerWaalsContact O-N 3.09Å |
| 75 | P | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -32.1 | 175.5 | -25.2 | 36.3 | 0 | 0 | 0 | 114.1 | H48 I73 A79 L208 Y209 | H48-P75 PolarHBondContact CE1-O 2.81Å; H48-P75 VanDerWaalsContact CE1-O 3.31Å; I73-P75 VanDerWaalsContact C-CD 3.43Å; I73-P75 VanDerWaalsContact C-N 3.32Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.13Å; P75-A79 PolarHBondContact O-N 2.88Å; P75-A79 VanDerWaalsContact O-N 3.15Å; P75-L208 HydrophobicContact CB-CB 4.14Å; P75-L208 VanDerWaalsContact CB-O 3.32Å; P75-L208 WeakPolarHBondContact CB-O 3.35Å; P75-L208 HydrophobicContact CG-CB 4Å; P75-Y209 HydrophobicContact CG-CD1 4.19Å; P75-Y209 HydrophobicContact CG-CD2 3.65Å; P75-Y209 HydrophobicContact CG-CE1 4.07Å; P75-Y209 HydrophobicContact CG-CE2 3.53Å; P75-Y209 HydrophobicContact CG-CG 4Å |
| 76 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -48 | 176 | -62.1 | 174.8 | 0 | 0 | 0 | 109.6 | V53 L65 I73 S74 A79 C80 L141 F203 L208 | V53-I76 HydrophobicContact CB-CG1 4.4Å; V53-I76 HydrophobicContact CG1-CG1 4.35Å; V53-I76 HydrophobicContact CG1-CG2 3.86Å; V53-I76 HydrophobicContact CG2-CD1 4.46Å; V53-I76 HydrophobicContact CG2-CG1 4.21Å; L65-I76 HydrophobicContact CD1-CG2 3.97Å; I73-I76 WeakPolarHBondContact O-CB 3.2Å; I73-I76 PolarHBondContact O-N 3.34Å; S74-I76 VanDerWaalsContact C-N 3.27Å; S74-I76 PolarHBondContact O-N 3.37Å; I76-A79 PolarHBondContact O-N 3.22Å; I76-C80 VanDerWaalsContact O-CB 3.29Å; I76-C80 WeakPolarHBondContact O-CB 3.19Å; I76-C80 PolarHBondContact O-N 3.19Å; I76-C80 PolarHBondContact O-SG 2.94Å; I76-L141 HydrophobicContact CG2-CD1 4.17Å; I76-F203 HydrophobicContact CD1-CD2 4.22Å; I76-F203 HydrophobicContact CD1-CG 4.31Å; I76-L208 HydrophobicContact CD1-CD1 3.86Å; I76-L208 HydrophobicContact CD1-CD2 4.04Å; I76-L208 HydrophobicContact CG1-CD1 3.99Å; I76-L208 HydrophobicContact CG1-CD2 3.71Å |
| 77 | L | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | -177.2 | -56.5 | -176.3 | 0 | 0 | 0 | 111.4 | L65 T67 V69 I73 S74 A79 C80 E81 I87 A114 | L65-L77 HydrophobicContact CD2-CD2 3.44Å; L65-L77 VanDerWaalsContact CD2-CD2 3.44Å; T67-L77 HydrophobicContact CG2-CD1 4.24Å; T67-L77 HydrophobicContact CG2-CD2 4.12Å; V69-L77 HydrophobicContact CB-CD1 4.4Å; V69-L77 HydrophobicContact CG1-CD1 3.95Å; I73-L77 HydrophobicContact CD1-CD1 4.07Å; I73-L77 HydrophobicContact CD1-CD2 4.21Å; I73-L77 HydrophobicContact CD1-CG 4.23Å; I73-L77 HydrophobicContact CG1-CD1 4.45Å; I73-L77 PolarHBondContact O-N 2.81Å; S74-L77 PolarHBondContact O-N 3.04Å; L77-A79 PolarHBondContact O-N 2.81Å; L77-C80 PolarHBondContact O-N 3.5Å; L77-E81 PolarHBondContact O-N 3.36Å; L77-I87 HydrophobicContact CD2-CD1 4.45Å; L77-I87 HydrophobicContact CD2-CG2 4.22Å; L77-A114 HydrophobicContact CD2-CB 4.44Å |
| 78 | V | 98.3 | Very high | 97.9 | Very high | 61 Ų | 61 | 42 Ų | 42 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -40.7 | -179.9 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | S74 K82 | S74-V78 WeakPolarHBondContact O-CG2 3.29Å; S74-V78 PolarHBondContact O-N 3.14Å; S74-V78 VanDerWaalsContact O-N 3.09Å; V78-K82 HydrophobicContact CG1-CD 4.36Å; V78-K82 VanDerWaalsContact O-CG 3.29Å; V78-K82 WeakPolarHBondContact O-CG 3.46Å; V78-K82 PolarHBondContact O-N 3.3Å |
| 79 | A | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G50 E51 A54 P75 I76 L77 K82 V83 | G50-A79 WeakPolarHBondContact O-CB 3.35Å; E51-A79 HydrophobicContact CG-CB 4.42Å; A54-A79 VanDerWaalsContact CB-C 3.46Å; A54-A79 HydrophobicContact CB-CB 3.64Å; A54-A79 WeakPolarHBondContact CB-O 3.31Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.13Å; P75-A79 PolarHBondContact O-N 2.88Å; P75-A79 VanDerWaalsContact O-N 3.15Å; I76-A79 PolarHBondContact O-N 3.22Å; L77-A79 PolarHBondContact O-N 2.81Å; A79-K82 PolarHBondContact O-N 3.13Å; A79-V83 PolarHBondContact O-N 3.46Å |
| 80 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.5 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | A54 L65 I76 L77 K82 V83 G84 I85 I87 | A54-C80 HydrophobicContact CB-CB 4.49Å; L65-C80 HydrophobicContact CD1-CB 4.35Å; I76-C80 VanDerWaalsContact O-CB 3.29Å; I76-C80 WeakPolarHBondContact O-CB 3.19Å; I76-C80 PolarHBondContact O-N 3.19Å; I76-C80 PolarHBondContact O-SG 2.94Å; L77-C80 PolarHBondContact O-N 3.5Å; C80-K82 PolarHBondContact O-N 3.18Å; C80-V83 VanDerWaalsContact O-CG2 3.31Å; C80-V83 WeakPolarHBondContact O-CG2 3.36Å; C80-V83 PolarHBondContact O-N 2.91Å; C80-G84 PolarHBondContact O-N 3.32Å; C80-I85 HydrophobicContact CB-CB 3.98Å; C80-I85 HydrophobicContact CB-CD1 4.21Å; C80-I85 HydrophobicContact CB-CG2 4.26Å; C80-I85 WeakPolarHBondContact O-CB 3.47Å; C80-I85 PolarHBondContact O-N 3.35Å; C80-I87 HydrophobicContact CB-CD1 3.64Å |
| 81 | E | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 42.6 Ų | 42.6 | 61% | 0.612 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -56 | -49.2 | 173.4 | -179.7 | -173.5 | -145.1 | 0 | 0 | 111.5 | L77 V83 G84 I87 | L77-E81 PolarHBondContact O-N 3.36Å; E81-V83 PolarHBondContact O-N 2.93Å; E81-V83 VanDerWaalsContact O-N 3.17Å; E81-G84 PolarHBondContact O-N 2.89Å; E81-I87 HydrophobicContact CB-CG1 4.26Å |
| 82 | K | 98.4 | Very high | 98.4 | Very high | 147 Ų | 147 | 44.2 Ų | 44.2 | 64% | 0.639 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.8 | -29.6 | -179.6 | -75 | 172.3 | -178.6 | 176.5 | 0 | 113.9 | V78 A79 C80 | V78-K82 HydrophobicContact CG1-CD 4.36Å; V78-K82 VanDerWaalsContact O-CG 3.29Å; V78-K82 WeakPolarHBondContact O-CG 3.46Å; V78-K82 PolarHBondContact O-N 3.3Å; A79-K82 PolarHBondContact O-N 3.13Å; C80-K82 PolarHBondContact O-N 3.18Å |
| 83 | V | 98.3 | Very high | 98.5 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.4 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | A54 R58 A79 C80 E81 I85 | A54-V83 HydrophobicContact CB-CG1 4.38Å; A54-V83 HydrophobicContact CB-CG2 3.85Å; R58-V83 HydrophobicContact CB-CG2 4.18Å; A79-V83 PolarHBondContact O-N 3.46Å; C80-V83 VanDerWaalsContact O-CG2 3.31Å; C80-V83 WeakPolarHBondContact O-CG2 3.36Å; C80-V83 PolarHBondContact O-N 2.91Å; E81-V83 PolarHBondContact O-N 2.93Å; E81-V83 VanDerWaalsContact O-N 3.17Å; V83-I85 HydrophobicContact CG2-CD1 3.99Å; V83-I85 HydrophobicContact CG2-CG1 4.06Å |
| 84 | G | 98.3 | Very high | 98.5 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 12.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C80 E81 | C80-G84 PolarHBondContact O-N 3.32Å; E81-G84 PolarHBondContact O-N 2.89Å |
| 85 | I | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -79 | 124.2 | 169.9 | -60.6 | 171.2 | 0 | 0 | 0 | 107.6 | L57 R58 L65 C80 V83 I87 | L57-I85 HydrophobicContact CB-CD1 3.66Å; R58-I85 HydrophobicContact CB-CD1 4.46Å; L65-I85 HydrophobicContact CB-CG2 4.01Å; C80-I85 HydrophobicContact CB-CB 3.98Å; C80-I85 HydrophobicContact CB-CD1 4.21Å; C80-I85 HydrophobicContact CB-CG2 4.26Å; C80-I85 WeakPolarHBondContact O-CB 3.47Å; C80-I85 PolarHBondContact O-N 3.35Å; V83-I85 HydrophobicContact CG2-CD1 3.99Å; V83-I85 HydrophobicContact CG2-CG1 4.06Å; I85-I87 PolarHBondContact O-N 3.16Å |
| 86 | R | 98.4 | Very high | 98.6 | Very high | 99 Ų | 99 | 42.4 Ų | 42.4 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.7 | 179.7 | 180 | 178.3 | 177.3 | 174.6 | -1.4 | 110.1 | K63 F64 L65 V88 L504 H533 | K63-R86 PolarHBondContact O-N 3.28Å; F64-R86 WeakPolarHBondContact CA-O 3.39Å; F64-R86 HydrophobicContact CD1-CB 4.01Å; F64-R86 HydrophobicContact CD1-CG 4.47Å; F64-R86 HydrophobicContact CE1-CB 4.44Å; L65-R86 PolarHBondContact N-O 2.98Å; R86-V88 HydrophobicContact CG-CG2 4.02Å; R86-L504 VanDerWaalsContact NH1-CD2 3.33Å; R86-H533 PolarHBondContact NH2-O 3.08Å |
| 87 | I | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 21% | 0.205 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.3 | 172 | -49.2 | -54 | 0 | 0 | 0 | 109.1 | L65 T67 L77 C80 E81 I85 | L65-I87 HydrophobicContact CB-CD1 4.07Å; L65-I87 HydrophobicContact CD2-CD1 4.28Å; T67-I87 HydrophobicContact CG2-CG2 3.88Å; L77-I87 HydrophobicContact CD2-CD1 4.45Å; L77-I87 HydrophobicContact CD2-CG2 4.22Å; C80-I87 HydrophobicContact CB-CD1 3.64Å; E81-I87 HydrophobicContact CB-CG1 4.26Å; I85-I87 PolarHBondContact O-N 3.16Å |
| 88 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 99.5 | -179.1 | -174 | 0 | 0 | 0 | 0 | 108.8 | L65 F66 T67 R86 L500 L504 | L65-V88 PolarHBondContact O-N 3.15Å; F66-V88 CarbonylContact C-O 3.6Å; F66-V88 VanDerWaalsContact CA-O 3.31Å; F66-V88 WeakPolarHBondContact CA-O 3.18Å; F66-V88 HydrophobicContact CD1-CB 3.67Å; F66-V88 HydrophobicContact CD1-CG1 3.84Å; F66-V88 HydrophobicContact CD1-CG2 4.38Å; F66-V88 HydrophobicContact CE1-CB 3.91Å; F66-V88 HydrophobicContact CE1-CG1 3.93Å; F66-V88 HydrophobicContact CE1-CG2 4.19Å; T67-V88 PolarHBondContact N-O 3.14Å; R86-V88 HydrophobicContact CG-CG2 4.02Å; V88-L500 HydrophobicContact CG1-CD1 4.19Å; V88-L500 HydrophobicContact CG1-CD2 3.78Å; V88-L500 HydrophobicContact CG1-CG 4.22Å; V88-L504 HydrophobicContact CG1-CD1 4.29Å; V88-L504 HydrophobicContact CG2-CD1 3.89Å |
| 89 | D | 98.4 | Very high | 98.6 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 25% | 0.251 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137 | 178.8 | 70.8 | -61 | 0 | 0 | 0 | 112.4 | T67 V69 T529 R532 H533 | T67-D89 HydrophobicContact CG2-CB 4.04Å; T67-D89 CarbonylContact O-C 3.58Å; T67-D89 WeakPolarHBondContact O-CA 3.4Å; V69-D89 HydrophobicContact CG1-CB 4.28Å; D89-T529 WeakPolarHBondContact O-CG2 3.25Å; D89-R532 PolarHBondContact O-NH2 2.69Å; D89-R532 IonicContact OD1-CZ 3.24Å; D89-R532 IonicContact OD1-NH1 2.73Å; D89-R532 PolarHBondContact OD1-NH1 3.03Å; D89-R532 IonicContact OD2-CZ 3.8Å; D89-R532 VanDerWaalsContact OD2-CZ 3.3Å; D89-R532 IonicContact OD2-NH1 3.2Å; D89-R532 PolarHBondContact OD2-NH1 3.45Å; D89-R532 IonicContact OD2-NH2 2.81Å; D89-R532 PolarHBondContact OD2-NH2 2.9Å; D89-H533 PolarHBondContact N-NE2 3.33Å; D89-H533 PolarHBondContact O-NE2 3Å; D89-H533 IonicContact OD1-CE1 3.55Å; D89-H533 PolarHBondContact OD1-CE1 3.5Å; D89-H533 IonicContact OD1-NE2 2.94Å; D89-H533 PolarHBondContact OD1-NE2 2.71Å |
| 90 | T | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -110.3 | -179.9 | -177.9 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | T67 L68 H92 T95 A96 L500 T529 | T67-T90 PolarHBondContact O-N 3Å; T67-T90 PolarHBondContact O-OG1 2.93Å; L68-T90 WeakPolarHBondContact CD1-O 3.22Å; T90-H92 PolarHBondContact OG1-O 2.88Å; T90-T95 HydrophobicContact CG2-CG2 3.88Å; T90-A96 HydrophobicContact CG2-CB 4.21Å; T90-L500 HydrophobicContact CG2-CD2 3.88Å; T90-T529 HydrophobicContact CG2-CG2 4.34Å | ||
| 91 | R | 98.2 | Very high | 98.6 | Very high | 119 Ų | 119 | 39 Ų | 39 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -88.7 | -15.6 | 172.7 | -64 | -53.4 | -171.8 | 175.1 | -1.2 | 114 | A525 E526 D528 | R91-A525 HydrophobicContact CB-CB 4.2Å; R91-A525 HydrophobicContact CG-CB 4.33Å; R91-A525 WeakPolarHBondContact CG-O 3.36Å; R91-E526 PolarHBondContact N-OE1 3.04Å; R91-E526 VanDerWaalsContact N-OE1 3.1Å; R91-E526 PolarHBondContact N-OE2 3.23Å; R91-D528 IonicContact CZ-OD1 3.1Å; R91-D528 IonicContact CZ-OD2 3.3Å; R91-D528 VanDerWaalsContact NE-CG 3.32Å; R91-D528 IonicContact NE-OD1 3.45Å; R91-D528 PolarHBondContact NE-OD1 3.13Å; R91-D528 IonicContact NE-OD2 3.99Å; R91-D528 IonicContact NH2-OD1 3.08Å; R91-D528 PolarHBondContact NH2-OD1 3.12Å; R91-D528 IonicContact NH2-OD2 2.72Å; R91-D528 PolarHBondContact NH2-OD2 3Å |
| 92 | H | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 32.7 Ų | 32.7 | 36% | 0.361 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -146.6 | 148.2 | 176.5 | -167.6 | -91.1 | 0 | 0 | 0 | 112 | T90 A94 T95 A96 E526 | T90-H92 PolarHBondContact OG1-O 2.88Å; H92-A94 VanDerWaalsContact C-N 3.34Å; H92-A94 VanDerWaalsContact ND1-CB 3.29Å; H92-A94 WeakPolarHBondContact ND1-CB 3.28Å; H92-A94 PolarHBondContact ND1-N 3.24Å; H92-A94 VanDerWaalsContact ND1-N 3.1Å; H92-A94 PolarHBondContact O-N 3.3Å; H92-T95 WeakPolarHBondContact O-CB 3.42Å; H92-T95 PolarHBondContact O-N 2.95Å; H92-T95 VanDerWaalsContact O-N 3.15Å; H92-A96 PolarHBondContact O-N 3.35Å; H92-E526 PolarHBondContact N-OE1 3.1Å |
| 93 | E | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | -178 | -67.4 | 90.6 | 164.1 | 0 | 0 | 113.3 | L68 T95 A96 V97 V115 G120 N123 T124 | L68-E93 HydrophobicContact CB-CG 3.77Å; L68-E93 VanDerWaalsContact CD2-CD 3.43Å; L68-E93 HydrophobicContact CD2-CG 4.27Å; L68-E93 VanDerWaalsContact CD2-OE1 3.24Å; L68-E93 WeakPolarHBondContact CD2-OE1 3.39Å; E93-T95 VanDerWaalsContact C-N 3.29Å; E93-T95 PolarHBondContact O-N 3.44Å; E93-A96 WeakPolarHBondContact O-CB 3.33Å; E93-A96 PolarHBondContact O-N 3.1Å; E93-A96 VanDerWaalsContact O-N 3.16Å; E93-V97 PolarHBondContact O-N 3.16Å; E93-V97 VanDerWaalsContact O-N 3.12Å; E93-V115 HydrophobicContact CB-CG1 3.83Å; E93-V115 HydrophobicContact CG-CB 4.06Å; E93-V115 HydrophobicContact CG-CG1 3.62Å; E93-G120 WeakPolarHBondContact CB-O 3.5Å; E93-G120 VanDerWaalsContact CG-O 3.3Å; E93-G120 WeakPolarHBondContact CG-O 3.3Å; E93-G120 WeakPolarHBondContact OE1-CA 3.47Å; E93-N123 HydrophobicContact CB-CB 3.91Å; E93-N123 HydrophobicContact CG-CB 4.38Å; E93-N123 WeakPolarHBondContact OE2-CB 3.41Å; E93-N123 PolarHBondContact OE2-ND2 2.85Å; E93-T124 HydrophobicContact CB-CG2 3.73Å |
| 94 | A | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 12% | 0.124 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H92 A96 V97 F98 A127 | H92-A94 VanDerWaalsContact C-N 3.34Å; H92-A94 VanDerWaalsContact ND1-CB 3.29Å; H92-A94 WeakPolarHBondContact ND1-CB 3.28Å; H92-A94 PolarHBondContact ND1-N 3.24Å; H92-A94 VanDerWaalsContact ND1-N 3.1Å; H92-A94 PolarHBondContact O-N 3.3Å; A94-A96 VanDerWaalsContact C-N 3.31Å; A94-A96 PolarHBondContact O-N 3.23Å; A94-V97 PolarHBondContact O-N 3.43Å; A94-F98 HydrophobicContact CB-CD2 4.43Å; A94-F98 HydrophobicContact CB-CE2 4.01Å; A94-F98 WeakPolarHBondContact O-CD2 3.46Å; A94-F98 WeakPolarHBondContact O-CG 3.47Å; A94-F98 PolarHBondContact O-N 3.32Å; A94-A127 HydrophobicContact CB-CB 4.24Å |
| 95 | T | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.7 | -49.3 | 0 | 0 | 0 | 0 | 111.2 | T90 H92 E93 V97 F98 A99 E526 | T90-T95 HydrophobicContact CG2-CG2 3.88Å; H92-T95 WeakPolarHBondContact O-CB 3.42Å; H92-T95 PolarHBondContact O-N 2.95Å; H92-T95 VanDerWaalsContact O-N 3.15Å; E93-T95 VanDerWaalsContact C-N 3.29Å; E93-T95 PolarHBondContact O-N 3.44Å; T95-V97 VanDerWaalsContact C-N 3.3Å; T95-V97 PolarHBondContact O-N 3.03Å; T95-F98 PolarHBondContact O-N 3.18Å; T95-A99 WeakPolarHBondContact O-CB 3.47Å; T95-A99 PolarHBondContact O-N 2.52Å; T95-E526 VanDerWaalsContact CB-OE1 3.25Å; T95-E526 WeakPolarHBondContact CB-OE1 3.27Å; T95-E526 HydrophobicContact CG2-CG 3.66Å; T95-E526 WeakPolarHBondContact CG2-OE1 3.12Å; T95-E526 PolarHBondContact OG1-OE1 3.12Å |
| 96 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F66 T90 H92 E93 A94 A99 A100 | F66-A96 HydrophobicContact CB-CB 3.87Å; F66-A96 VanDerWaalsContact CB-O 3.24Å; F66-A96 WeakPolarHBondContact CB-O 3.48Å; T90-A96 HydrophobicContact CG2-CB 4.21Å; H92-A96 PolarHBondContact O-N 3.35Å; E93-A96 WeakPolarHBondContact O-CB 3.33Å; E93-A96 PolarHBondContact O-N 3.1Å; E93-A96 VanDerWaalsContact O-N 3.16Å; A94-A96 VanDerWaalsContact C-N 3.31Å; A94-A96 PolarHBondContact O-N 3.23Å; A96-A99 PolarHBondContact O-N 2.74Å; A96-A100 PolarHBondContact O-N 2.81Å |
| 97 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.5 | -38.9 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 112 | E93 A94 T95 A99 A100 D101 A113 T124 A127 V128 L138 L140 | E93-V97 PolarHBondContact O-N 3.16Å; E93-V97 VanDerWaalsContact O-N 3.12Å; A94-V97 PolarHBondContact O-N 3.43Å; T95-V97 VanDerWaalsContact C-N 3.3Å; T95-V97 PolarHBondContact O-N 3.03Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 2.93Å; V97-A100 PolarHBondContact O-N 3.03Å; V97-D101 WeakPolarHBondContact O-CB 3.31Å; V97-D101 PolarHBondContact O-N 3.2Å; V97-A113 HydrophobicContact CG2-CB 3.85Å; V97-T124 HydrophobicContact CG2-CG2 3.64Å; V97-A127 HydrophobicContact CB-CB 3.6Å; V97-A127 HydrophobicContact CG1-CB 3.52Å; V97-V128 HydrophobicContact CG1-CG2 3.91Å; V97-L138 HydrophobicContact CG1-CD1 3.73Å; V97-L138 HydrophobicContact CG1-CD2 4.33Å; V97-L140 HydrophobicContact CG2-CD1 4.04Å |
| 98 | F | 98.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 173 | -68 | -45.1 | 0 | 0 | 0 | 112 | A94 T95 D101 A102 A127 N130 T491 V494 F498 | A94-F98 HydrophobicContact CB-CD2 4.43Å; A94-F98 HydrophobicContact CB-CE2 4.01Å; A94-F98 WeakPolarHBondContact O-CD2 3.46Å; A94-F98 WeakPolarHBondContact O-CG 3.47Å; A94-F98 PolarHBondContact O-N 3.32Å; T95-F98 PolarHBondContact O-N 3.18Å; F98-D101 WeakPolarHBondContact O-CB 3.48Å; F98-D101 PolarHBondContact O-N 3.36Å; F98-A102 PolarHBondContact O-N 3.39Å; F98-A127 HydrophobicContact CD1-CB 3.79Å; F98-A127 HydrophobicContact CD2-CB 4.39Å; F98-A127 VanDerWaalsContact CE1-CA 3.46Å; F98-A127 HydrophobicContact CE1-CB 3.49Å; F98-A127 VanDerWaalsContact CE1-CB 3.49Å; F98-A127 HydrophobicContact CE2-CB 4.13Å; F98-A127 HydrophobicContact CG-CB 4.22Å; F98-A127 HydrophobicContact CZ-CB 3.67Å; F98-N130 HydrophobicContact CE1-CB 3.98Å; F98-T491 HydrophobicContact CE1-CG2 4.18Å; F98-T491 HydrophobicContact CZ-CG2 3.71Å; F98-V494 HydrophobicContact CD1-CB 4.35Å; F98-V494 HydrophobicContact CD1-CG1 3.84Å; F98-V494 HydrophobicContact CE1-CB 4.5Å; F98-V494 HydrophobicContact CE1-CG1 3.58Å; F98-V494 HydrophobicContact CE2-CG1 4.29Å; F98-V494 HydrophobicContact CG-CB 4.42Å; F98-V494 HydrophobicContact CG-CG1 4.33Å; F98-V494 HydrophobicContact CZ-CG1 3.84Å; F98-F498 HydrophobicContact CB-CD1 3.84Å; F98-F498 HydrophobicContact CB-CE1 3.97Å; F98-F498 HydrophobicContact CD1-CE1 4.05Å; F98-F498 HydrophobicContact CG-CE1 4.39Å; F98-F498 WeakPolarHBondContact O-CD1 3.44Å; F98-F498 WeakPolarHBondContact O-CE1 3.4Å |
| 99 | A | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F66 T95 A96 V97 D101 A102 V103 G497 L500 | F66-A99 HydrophobicContact CD1-CB 3.43Å; F66-A99 VanDerWaalsContact CD1-CB 3.43Å; F66-A99 HydrophobicContact CD2-CB 4.2Å; F66-A99 HydrophobicContact CE1-CB 3.49Å; F66-A99 VanDerWaalsContact CE1-CB 3.49Å; F66-A99 HydrophobicContact CE2-CB 4.25Å; F66-A99 HydrophobicContact CG-CB 3.8Å; F66-A99 HydrophobicContact CZ-CB 3.92Å; T95-A99 WeakPolarHBondContact O-CB 3.47Å; T95-A99 PolarHBondContact O-N 2.52Å; A96-A99 PolarHBondContact O-N 2.74Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 2.93Å; A99-D101 VanDerWaalsContact C-N 3.34Å; A99-D101 PolarHBondContact O-N 2.78Å; A99-A102 PolarHBondContact O-N 2.72Å; A99-V103 WeakPolarHBondContact O-CG2 3.46Å; A99-V103 PolarHBondContact O-N 2.77Å; A99-G497 WeakPolarHBondContact CA-O 3.26Å; A99-G497 VanDerWaalsContact CB-O 3.29Å; A99-G497 WeakPolarHBondContact CB-O 3.21Å; A99-L500 HydrophobicContact CB-CB 4.29Å; A99-L500 HydrophobicContact CB-CD2 4.14Å; A99-L500 HydrophobicContact CB-CG 4.39Å |
| 100 | A | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F66 A96 V97 V103 A104 G111 A113 L138 | F66-A100 HydrophobicContact CD2-CB 3.87Å; F66-A100 HydrophobicContact CE2-CB 4.48Å; A96-A100 PolarHBondContact O-N 2.81Å; V97-A100 PolarHBondContact O-N 3.03Å; A100-V103 PolarHBondContact O-N 3.37Å; A100-A104 PolarHBondContact O-N 3.39Å; A100-G111 VanDerWaalsContact O-CA 3.26Å; A100-G111 WeakPolarHBondContact O-CA 3.26Å; A100-A113 HydrophobicContact CB-CB 4.11Å; A100-L138 HydrophobicContact CB-CD1 3.91Å; A100-L138 HydrophobicContact CB-CG 4.47Å |
| 101 | D | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 176.5 | -177.3 | 13 | 0 | 0 | 0 | 111.4 | V97 F98 A99 V103 A104 R105 N130 A131 S136 L138 F498 | V97-D101 WeakPolarHBondContact O-CB 3.31Å; V97-D101 PolarHBondContact O-N 3.2Å; F98-D101 WeakPolarHBondContact O-CB 3.48Å; F98-D101 PolarHBondContact O-N 3.36Å; A99-D101 VanDerWaalsContact C-N 3.34Å; A99-D101 PolarHBondContact O-N 2.78Å; D101-V103 PolarHBondContact O-N 2.91Å; D101-A104 WeakPolarHBondContact O-CB 3.07Å; D101-A104 PolarHBondContact O-N 2.81Å; D101-A104 VanDerWaalsContact O-N 3.12Å; D101-R105 WeakPolarHBondContact O-CG 3.26Å; D101-R105 PolarHBondContact O-N 3.32Å; D101-R105 IonicContact OD1-CZ 3.98Å; D101-R105 IonicContact OD1-NE 3.01Å; D101-R105 PolarHBondContact OD1-NE 2.81Å; D101-R105 IonicContact OD1-NH2 3.82Å; D101-R105 PolarHBondContact OD1-NH2 3.2Å; D101-R105 IonicContact OD2-CZ 2.86Å; D101-R105 IonicContact OD2-NE 2.64Å; D101-R105 IonicContact OD2-NH2 3.37Å; D101-R105 PolarHBondContact OD2-NH2 2.8Å; D101-N130 PolarHBondContact OD2-ND2 3.19Å; D101-N130 VanDerWaalsContact OD2-ND2 3.11Å; D101-A131 HydrophobicContact CB-CB 4.33Å; D101-S136 WeakPolarHBondContact OD1-CB 3.25Å; D101-S136 PolarHBondContact OD1-OG 3.49Å; D101-L138 HydrophobicContact CB-CD1 4.14Å; D101-F498 HydrophobicContact CB-CE1 4.08Å |
| 102 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F98 A99 A104 R105 L106 L484 F498 | F98-A102 PolarHBondContact O-N 3.39Å; A99-A102 PolarHBondContact O-N 2.72Å; A102-A104 VanDerWaalsContact C-N 3.3Å; A102-A104 PolarHBondContact O-N 3.09Å; A102-R105 PolarHBondContact O-N 3.43Å; A102-L106 WeakPolarHBondContact O-CB 3.31Å; A102-L106 WeakPolarHBondContact O-CG 3.35Å; A102-L106 PolarHBondContact O-N 2.9Å; A102-L484 HydrophobicContact CB-CD1 3.96Å; A102-F498 HydrophobicContact CB-CB 4.26Å; A102-F498 HydrophobicContact CB-CD1 3.92Å; A102-F498 HydrophobicContact CB-CG 4.23Å |
| 103 | V | 98.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 10.6 Ų | 10.6 | 6% | 0.055 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 173 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | F64 F66 A99 A100 D101 R105 L106 S107 | F64-V103 HydrophobicContact CD2-CG1 4.38Å; F64-V103 HydrophobicContact CD2-CG2 4.26Å; F66-V103 HydrophobicContact CE2-CB 4.32Å; F66-V103 HydrophobicContact CE2-CG2 3.61Å; F66-V103 HydrophobicContact CZ-CG2 3.61Å; A99-V103 WeakPolarHBondContact O-CG2 3.46Å; A99-V103 PolarHBondContact O-N 2.77Å; A100-V103 PolarHBondContact O-N 3.37Å; D101-V103 PolarHBondContact O-N 2.91Å; V103-R105 VanDerWaalsContact C-N 3.34Å; V103-R105 PolarHBondContact O-N 2.94Å; V103-L106 PolarHBondContact O-N 2.81Å; V103-S107 VanDerWaalsContact O-CB 3.25Å; V103-S107 WeakPolarHBondContact O-CB 3.25Å; V103-S107 PolarHBondContact O-N 2.9Å; V103-S107 PolarHBondContact O-OG 2.81Å |
| 104 | A | 98 | Very high | 97.3 | Very high | 3 Ų | 3 | 10 Ų | 10 | 3% | 0.025 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A100 D101 A102 L106 G108 T109 P137 | A100-A104 PolarHBondContact O-N 3.39Å; D101-A104 WeakPolarHBondContact O-CB 3.07Å; D101-A104 PolarHBondContact O-N 2.81Å; D101-A104 VanDerWaalsContact O-N 3.12Å; A102-A104 VanDerWaalsContact C-N 3.3Å; A102-A104 PolarHBondContact O-N 3.09Å; A104-L106 PolarHBondContact O-N 2.81Å; A104-G108 PolarHBondContact O-N 3.37Å; A104-G108 VanDerWaalsContact O-N 3.16Å; A104-T109 VanDerWaalsContact CA-O 3.28Å; A104-T109 WeakPolarHBondContact CA-O 3.37Å; A104-P137 HydrophobicContact CB-CG 4.16Å; A104-P137 WeakPolarHBondContact CB-O 3.38Å |
| 105 | R | 96.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 9.2 Ų | 9.2 | 8% | 0.079 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | -179.7 | -66.2 | 177.3 | -166.5 | -155.4 | 14.7 | 113.7 | D101 A102 V103 N130 S136 M316 L484 D485 | D101-R105 WeakPolarHBondContact O-CG 3.26Å; D101-R105 PolarHBondContact O-N 3.32Å; D101-R105 IonicContact OD1-CZ 3.98Å; D101-R105 IonicContact OD1-NE 3.01Å; D101-R105 PolarHBondContact OD1-NE 2.81Å; D101-R105 IonicContact OD1-NH2 3.82Å; D101-R105 PolarHBondContact OD1-NH2 3.2Å; D101-R105 IonicContact OD2-CZ 2.86Å; D101-R105 IonicContact OD2-NE 2.64Å; D101-R105 IonicContact OD2-NH2 3.37Å; D101-R105 PolarHBondContact OD2-NH2 2.8Å; A102-R105 PolarHBondContact O-N 3.43Å; V103-R105 VanDerWaalsContact C-N 3.34Å; V103-R105 PolarHBondContact O-N 2.94Å; R105-N130 PolarHBondContact NH2-ND2 3.42Å; R105-S136 WeakPolarHBondContact CG-OG 3.33Å; R105-S136 PolarHBondContact NE-OG 2.85Å; R105-M316 HydrophobicContact CB-CE 3.95Å; R105-M316 HydrophobicContact CB-SD 4.4Å; R105-L484 HydrophobicContact CB-CD2 4.21Å; R105-D485 PolarHBondContact NH1-O 2.83Å |
| 106 | L | 96.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 9.6 Ų | 9.6 | 4% | 0.037 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -93.1 | -26.5 | -173.8 | -66.7 | 178.2 | 0 | 0 | 0 | 114.4 | A102 V103 A104 L481 L484 A502 C505 | A102-L106 WeakPolarHBondContact O-CB 3.31Å; A102-L106 WeakPolarHBondContact O-CG 3.35Å; A102-L106 PolarHBondContact O-N 2.9Å; V103-L106 PolarHBondContact O-N 2.81Å; A104-L106 PolarHBondContact O-N 2.81Å; L106-L481 HydrophobicContact CD2-CB 3.94Å; L106-L481 WeakPolarHBondContact CD2-O 3.47Å; L106-L484 HydrophobicContact CD1-CD1 3.96Å; L106-L484 HydrophobicContact CD2-CD2 4.38Å; L106-L484 HydrophobicContact CG-CD1 4.39Å; L106-L484 HydrophobicContact CG-CD2 4.4Å; L106-A502 VanDerWaalsContact CD1-CA 3.48Å; L106-A502 HydrophobicContact CD1-CB 3.68Å; L106-C505 HydrophobicContact CB-CB 4.23Å; L106-C505 HydrophobicContact CD1-CB 4.3Å |
| 107 | S | 92.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 9.6 Ų | 9.6 | 36% | 0.364 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -97.4 | -19.9 | -179 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | V103 T109 | V103-S107 VanDerWaalsContact O-CB 3.25Å; V103-S107 WeakPolarHBondContact O-CB 3.25Å; V103-S107 PolarHBondContact O-N 2.9Å; V103-S107 PolarHBondContact O-OG 2.81Å; S107-T109 PolarHBondContact O-N 2.94Å; S107-T109 PolarHBondContact OG-N 2.91Å; S107-T109 VanDerWaalsContact OG-N 3.11Å; S107-T109 PolarHBondContact OG-OG1 2.98Å |
| 108 | G | 88 | Confident | 97 | Very high | 28 Ų | 28 | 9.7 Ų | 9.7 | 29% | 0.289 | 6% | 0.064 | S | C | . | . | S | Bend | trans | 69.9 | 7.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | A104 P292 | A104-G108 PolarHBondContact O-N 3.37Å; A104-G108 VanDerWaalsContact O-N 3.16Å; G108-P292 WeakPolarHBondContact O-CG 3.35Å |
| 109 | T | 91.1 | Very high | 97 | Very high | 53 Ų | 53 | 12.2 Ų | 12.2 | 33% | 0.325 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -102.8 | 179.5 | 175 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | A104 S107 | A104-T109 VanDerWaalsContact CA-O 3.28Å; A104-T109 WeakPolarHBondContact CA-O 3.37Å; S107-T109 PolarHBondContact O-N 2.94Å; S107-T109 PolarHBondContact OG-N 2.91Å; S107-T109 VanDerWaalsContact OG-N 3.11Å; S107-T109 PolarHBondContact OG-OG1 2.98Å |
| 110 | V | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 12.3 Ų | 12.3 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | trans | -76.9 | 130 | 177 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | I62 V112 P137 L139 L188 Q192 | I62-V110 HydrophobicContact CD1-CB 4.14Å; I62-V110 WeakPolarHBondContact CD1-O 3.46Å; V110-V112 HydrophobicContact CG1-CG2 4.47Å; V110-P137 WeakPolarHBondContact CA-O 3.35Å; V110-P137 WeakPolarHBondContact CG1-O 3.09Å; V110-P137 HydrophobicContact CG2-CB 4.29Å; V110-L139 HydrophobicContact CG1-CB 3.88Å; V110-L188 HydrophobicContact CB-CD2 4.04Å; V110-L188 HydrophobicContact CG1-CD2 3.87Å; V110-L188 HydrophobicContact CG2-CD2 3.92Å; V110-Q192 HydrophobicContact CG2-CG 3.62Å | ||
| 111 | G | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A100 P137 L138 L139 | A100-G111 VanDerWaalsContact O-CA 3.26Å; A100-G111 WeakPolarHBondContact O-CA 3.26Å; G111-P137 PolarHBondContact N-O 3.45Å; G111-L138 CarbonylContact O-C 3.47Å; G111-L138 WeakPolarHBondContact O-CA 3.4Å; G111-L139 PolarHBondContact O-N 3.46Å |
| 112 | V | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.5 | -176.7 | -174 | 0 | 0 | 0 | 0 | 111.5 | L57 I62 L65 F66 V110 L139 L141 | L57-V112 HydrophobicContact CD1-CG1 4.27Å; L57-V112 HydrophobicContact CD2-CG1 4.46Å; L57-V112 HydrophobicContact CD2-CG2 4.32Å; I62-V112 HydrophobicContact CD1-CG2 3.86Å; I62-V112 HydrophobicContact CG1-CG2 4.01Å; I62-V112 HydrophobicContact CG2-CB 4.21Å; I62-V112 HydrophobicContact CG2-CG2 3.7Å; L65-V112 HydrophobicContact CD1-CG1 4.45Å; L65-V112 HydrophobicContact CG-CG1 4.29Å; F66-V112 WeakPolarHBondContact CD2-O 3.2Å; F66-V112 PolarHBondContact N-O 2.95Å; F66-V112 VanDerWaalsContact N-O 3.07Å; V110-V112 HydrophobicContact CG1-CG2 4.47Å; V112-L139 WeakPolarHBondContact CA-O 3.41Å; V112-L139 HydrophobicContact CG2-CB 4.33Å; V112-L139 HydrophobicContact CG2-CD2 4.47Å; V112-L141 HydrophobicContact CG1-CD1 4.03Å; V112-L141 HydrophobicContact CG1-CG 4.46Å |
| 113 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F66 V97 A100 L139 L140 L141 | F66-A113 CarbonylContact O-C 3.22Å; F66-A113 WeakPolarHBondContact O-CA 3.48Å; V97-A113 HydrophobicContact CG2-CB 3.85Å; A100-A113 HydrophobicContact CB-CB 4.11Å; A113-L139 PolarHBondContact N-O 2.88Å; A113-L140 HydrophobicContact CB-CD1 4.1Å; A113-L140 WeakPolarHBondContact O-CA 3.4Å; A113-L141 PolarHBondContact O-N 3.41Å |
| 114 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L65 F66 T67 I73 L77 L141 | L65-A114 HydrophobicContact CD1-CB 4.37Å; L65-A114 HydrophobicContact CD2-CB 3.78Å; L65-A114 HydrophobicContact CG-CB 4.33Å; F66-A114 PolarHBondContact O-N 2.71Å; T67-A114 VanDerWaalsContact CA-O 3.29Å; T67-A114 WeakPolarHBondContact CA-O 3.46Å; T67-A114 WeakPolarHBondContact CB-O 3.41Å; T67-A114 PolarHBondContact OG1-O 2.79Å; I73-A114 HydrophobicContact CD1-CB 3.89Å; L77-A114 HydrophobicContact CD2-CB 4.44Å; A114-L141 CarbonylContact C-O 2.98Å; A114-L141 VanDerWaalsContact CA-O 3.26Å; A114-L141 WeakPolarHBondContact CA-O 3.36Å; A114-L141 HydrophobicContact CB-CB 3.99Å; A114-L141 HydrophobicContact CB-CD1 4.37Å |
| 115 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.8 | -178.4 | -61 | 0 | 0 | 0 | 0 | 111.6 | I73 E93 L121 T124 L140 L141 G142 G143 | I73-V115 WeakPolarHBondContact CG2-O 3.16Å; E93-V115 HydrophobicContact CB-CG1 3.83Å; E93-V115 HydrophobicContact CG-CB 4.06Å; E93-V115 HydrophobicContact CG-CG1 3.62Å; V115-L121 HydrophobicContact CG2-CB 4.33Å; V115-L121 HydrophobicContact CG2-CD1 3.9Å; V115-T124 HydrophobicContact CB-CG2 4.45Å; V115-T124 HydrophobicContact CG1-CG2 3.86Å; V115-T124 HydrophobicContact CG2-CG2 3.99Å; V115-L140 HydrophobicContact CG2-CD1 4.06Å; V115-L141 PolarHBondContact N-O 3.05Å; V115-G142 WeakPolarHBondContact O-CA 3.19Å; V115-G143 PolarHBondContact O-N 3.12Å |
| 116 | T | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | trans | -66.5 | 169.7 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | H72 L121 Q156 | H72-T116 PolarHBondContact ND1-OG1 2.98Å; T116-L121 PolarHBondContact O-N 3.36Å; T116-L121 VanDerWaalsContact O-N 3.15Å; T116-Q156 PolarHBondContact OG1-OE1 2.64Å | ||
| 117 | A | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -62.8 | 165.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P119 G120 G143 Q156 | A117-P119 VanDerWaalsContact O-CD 3.25Å; A117-P119 WeakPolarHBondContact O-CD 3.27Å; A117-G120 PolarHBondContact O-N 3.48Å; A117-G143 VanDerWaalsContact CA-O 3.26Å; A117-G143 WeakPolarHBondContact CA-O 3.4Å; A117-G143 WeakPolarHBondContact CB-O 3.48Å; A117-Q156 HydrophobicContact CB-CB 4.03Å; A117-Q156 PolarHBondContact O-OE1 3.24Å |
| 118 | G | 96.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -115.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G120 L121 T122 Q156 | G118-G120 VanDerWaalsContact C-N 3.27Å; G118-G120 PolarHBondContact O-N 3.14Å; G118-L121 PolarHBondContact O-N 3.21Å; G118-L121 VanDerWaalsContact O-N 3.12Å; G118-T122 PolarHBondContact O-N 2.85Å; G118-T122 PolarHBondContact O-OG1 2.9Å; G118-Q156 WeakPolarHBondContact CA-O 3.34Å; G118-Q156 PolarHBondContact N-O 3.46Å |
| 119 | P | 97.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 21 Ų | 21 | 40% | 0.403 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -57.5 | -38.3 | -175.8 | 23.6 | -33.9 | 0 | 0 | 0 | 113.2 | A117 L121 T122 N123 Q156 | A117-P119 VanDerWaalsContact O-CD 3.25Å; A117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-L121 VanDerWaalsContact C-N 3.3Å; P119-L121 PolarHBondContact O-N 2.91Å; P119-T122 VanDerWaalsContact CA-OG1 3.26Å; P119-T122 WeakPolarHBondContact CA-OG1 3.29Å; P119-T122 PolarHBondContact O-N 3.23Å; P119-T122 PolarHBondContact O-OG1 3.4Å; P119-N123 WeakPolarHBondContact O-CB 3.39Å; P119-N123 PolarHBondContact O-N 2.84Å; P119-N123 PolarHBondContact O-OD1 2.79Å; P119-Q156 HydrophobicContact CG-CG 4.19Å |
| 120 | G | 97.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E93 A117 G118 | E93-G120 WeakPolarHBondContact CB-O 3.5Å; E93-G120 VanDerWaalsContact CG-O 3.3Å; E93-G120 WeakPolarHBondContact CG-O 3.3Å; E93-G120 WeakPolarHBondContact OE1-CA 3.47Å; A117-G120 PolarHBondContact O-N 3.48Å; G118-G120 VanDerWaalsContact C-N 3.27Å; G118-G120 PolarHBondContact O-N 3.14Å |
| 121 | L | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.4 | -46.4 | 172.9 | -172.6 | 70.2 | 0 | 0 | 0 | 111.9 | V115 T116 G118 P119 N123 T124 L140 Q160 F164 F200 | V115-L121 HydrophobicContact CG2-CB 4.33Å; V115-L121 HydrophobicContact CG2-CD1 3.9Å; T116-L121 PolarHBondContact O-N 3.36Å; T116-L121 VanDerWaalsContact O-N 3.15Å; G118-L121 PolarHBondContact O-N 3.21Å; G118-L121 VanDerWaalsContact O-N 3.12Å; P119-L121 VanDerWaalsContact C-N 3.3Å; P119-L121 PolarHBondContact O-N 2.91Å; L121-N123 PolarHBondContact O-N 2.8Å; L121-T124 WeakPolarHBondContact O-CB 3.13Å; L121-T124 PolarHBondContact O-N 3.15Å; L121-T124 PolarHBondContact O-OG1 3.33Å; L121-L140 HydrophobicContact CD1-CD2 3.63Å; L121-L140 HydrophobicContact CD1-CG 4.27Å; L121-Q160 HydrophobicContact CD2-CB 3.44Å; L121-Q160 VanDerWaalsContact CD2-CB 3.44Å; L121-Q160 HydrophobicContact CD2-CG 3.53Å; L121-F164 HydrophobicContact CD1-CE1 4.24Å; L121-F164 HydrophobicContact CD1-CE2 3.88Å; L121-F164 HydrophobicContact CD1-CZ 3.71Å; L121-F164 HydrophobicContact CD2-CD2 3.92Å; L121-F164 HydrophobicContact CD2-CE2 3.59Å; L121-F164 HydrophobicContact CD2-CZ 4.29Å; L121-F164 HydrophobicContact CG-CD2 4.2Å; L121-F164 HydrophobicContact CG-CE2 3.41Å; L121-F164 VanDerWaalsContact CG-CE2 3.41Å; L121-F164 HydrophobicContact CG-CZ 3.66Å; L121-F200 HydrophobicContact CD1-CD2 4.27Å; L121-F200 HydrophobicContact CD1-CE2 3.57Å; L121-F200 HydrophobicContact CD1-CZ 3.95Å; L121-F200 HydrophobicContact CD2-CE1 4.19Å; L121-F200 HydrophobicContact CD2-CE2 4.06Å; L121-F200 HydrophobicContact CD2-CZ 3.53Å; L121-F200 HydrophobicContact CG-CE2 4.49Å; L121-F200 HydrophobicContact CG-CZ 4.41Å |
| 122 | T | 98.5 | Very high | 98.2 | Very high | 56 Ų | 56 | 20.7 Ų | 20.7 | 34% | 0.344 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -62.6 | -30.8 | -178 | 54.1 | 0 | 0 | 0 | 0 | 113 | G118 P119 T124 V125 I158 L163 | G118-T122 PolarHBondContact O-N 2.85Å; G118-T122 PolarHBondContact O-OG1 2.9Å; P119-T122 VanDerWaalsContact CA-OG1 3.26Å; P119-T122 WeakPolarHBondContact CA-OG1 3.29Å; P119-T122 PolarHBondContact O-N 3.23Å; P119-T122 PolarHBondContact O-OG1 3.4Å; T122-T124 PolarHBondContact O-N 3.22Å; T122-T124 VanDerWaalsContact O-N 3.14Å; T122-V125 WeakPolarHBondContact O-CG2 3.19Å; T122-V125 PolarHBondContact O-N 2.87Å; T122-I158 HydrophobicContact CG2-CD1 3.66Å; T122-L163 HydrophobicContact CG2-CD1 3.9Å |
| 123 | N | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 24.6 Ų | 24.6 | 33% | 0.332 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17 | 174.5 | -75.5 | -6.6 | 0 | 0 | 0 | 113.4 | E93 P119 L121 | E93-N123 HydrophobicContact CB-CB 3.91Å; E93-N123 HydrophobicContact CG-CB 4.38Å; E93-N123 WeakPolarHBondContact OE2-CB 3.41Å; E93-N123 PolarHBondContact OE2-ND2 2.85Å; P119-N123 WeakPolarHBondContact O-CB 3.39Å; P119-N123 PolarHBondContact O-N 2.84Å; P119-N123 PolarHBondContact O-OD1 2.79Å; L121-N123 PolarHBondContact O-N 2.8Å |
| 124 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.9 | -179.9 | 68.4 | 0 | 0 | 0 | 0 | 114.7 | E93 V97 V115 L121 T122 T126 A127 V128 L140 F164 | E93-T124 HydrophobicContact CB-CG2 3.73Å; V97-T124 HydrophobicContact CG2-CG2 3.64Å; V115-T124 HydrophobicContact CB-CG2 4.45Å; V115-T124 HydrophobicContact CG1-CG2 3.86Å; V115-T124 HydrophobicContact CG2-CG2 3.99Å; L121-T124 WeakPolarHBondContact O-CB 3.13Å; L121-T124 PolarHBondContact O-N 3.15Å; L121-T124 PolarHBondContact O-OG1 3.33Å; T122-T124 PolarHBondContact O-N 3.22Å; T122-T124 VanDerWaalsContact O-N 3.14Å; T124-T126 VanDerWaalsContact C-N 3.34Å; T124-T126 PolarHBondContact O-N 3.24Å; T124-A127 PolarHBondContact O-N 2.96Å; T124-V128 PolarHBondContact O-N 3.28Å; T124-L140 HydrophobicContact CG2-CD1 4.32Å; T124-F164 VanDerWaalsContact OG1-CZ 3.31Å; T124-F164 WeakPolarHBondContact OG1-CZ 3.22Å |
| 125 | V | 98.5 | Very high | 97.7 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 30% | 0.297 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -52.8 | -49.3 | -169.7 | 165.5 | 0 | 0 | 0 | 0 | 112.2 | T122 A127 V128 K129 F164 L167 | T122-V125 WeakPolarHBondContact O-CG2 3.19Å; T122-V125 PolarHBondContact O-N 2.87Å; V125-A127 PolarHBondContact O-N 3.25Å; V125-V128 PolarHBondContact O-N 2.87Å; V125-K129 WeakPolarHBondContact O-CB 3.24Å; V125-K129 PolarHBondContact O-N 2.7Å; V125-F164 HydrophobicContact CG2-CE2 4.12Å; V125-F164 HydrophobicContact CG2-CZ 3.88Å; V125-L167 HydrophobicContact CB-CD1 4.44Å; V125-L167 HydrophobicContact CG1-CD1 3.94Å; V125-L167 HydrophobicContact CG2-CD1 4.4Å |
| 126 | T | 98.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 26.5 Ų | 26.5 | 47% | 0.466 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | T124 K129 N130 F489 T491 | T124-T126 VanDerWaalsContact C-N 3.34Å; T124-T126 PolarHBondContact O-N 3.24Å; T126-K129 PolarHBondContact O-N 3.09Å; T126-N130 PolarHBondContact O-N 3.16Å; T126-F489 HydrophobicContact CG2-CE1 4.2Å; T126-T491 HydrophobicContact CG2-CG2 3.78Å |
| 127 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.1 | -38.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A94 V97 F98 T124 V125 K129 N130 A131 | A94-A127 HydrophobicContact CB-CB 4.24Å; V97-A127 HydrophobicContact CB-CB 3.6Å; V97-A127 HydrophobicContact CG1-CB 3.52Å; F98-A127 HydrophobicContact CD1-CB 3.79Å; F98-A127 HydrophobicContact CD2-CB 4.39Å; F98-A127 VanDerWaalsContact CE1-CA 3.46Å; F98-A127 HydrophobicContact CE1-CB 3.49Å; F98-A127 VanDerWaalsContact CE1-CB 3.49Å; F98-A127 HydrophobicContact CE2-CB 4.13Å; F98-A127 HydrophobicContact CG-CB 4.22Å; F98-A127 HydrophobicContact CZ-CB 3.67Å; T124-A127 PolarHBondContact O-N 2.96Å; V125-A127 PolarHBondContact O-N 3.25Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-N130 WeakPolarHBondContact O-CB 3.25Å; A127-N130 PolarHBondContact O-N 3.29Å; A127-A131 PolarHBondContact O-N 2.91Å |
| 128 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 172.3 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | V97 T124 V125 N130 A131 Q132 L140 F164 L167 P198 | V97-V128 HydrophobicContact CG1-CG2 3.91Å; T124-V128 PolarHBondContact O-N 3.28Å; V125-V128 PolarHBondContact O-N 2.87Å; V128-N130 VanDerWaalsContact C-N 3.32Å; V128-N130 PolarHBondContact O-N 3.18Å; V128-A131 PolarHBondContact O-N 3.43Å; V128-Q132 WeakPolarHBondContact O-CB 3.2Å; V128-Q132 PolarHBondContact O-N 3.46Å; V128-L140 HydrophobicContact CG2-CD2 3.86Å; V128-F164 HydrophobicContact CB-CE1 4.38Å; V128-F164 HydrophobicContact CG1-CE1 4.49Å; V128-F164 HydrophobicContact CG2-CE1 4.02Å; V128-L167 HydrophobicContact CG1-CB 4.01Å; V128-P198 HydrophobicContact CG1-CB 3.83Å; V128-P198 HydrophobicContact CG1-CG 3.9Å |
| 129 | K | 98.5 | Very high | 97.9 | Very high | 59 Ų | 59 | 26.3 Ų | 26.3 | 26% | 0.257 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 174.5 | -177.2 | 59.7 | -177.7 | 180 | 0 | 111.7 | V125 T126 A127 Q132 M133 L167 F489 | V125-K129 WeakPolarHBondContact O-CB 3.24Å; V125-K129 PolarHBondContact O-N 2.7Å; T126-K129 PolarHBondContact O-N 3.09Å; A127-K129 VanDerWaalsContact C-N 3.33Å; K129-Q132 VanDerWaalsContact CD-OE1 3.28Å; K129-Q132 WeakPolarHBondContact O-CB 3.14Å; K129-Q132 PolarHBondContact O-N 2.83Å; K129-M133 HydrophobicContact CD-CG 4.33Å; K129-M133 VanDerWaalsContact O-CG 3.29Å; K129-M133 WeakPolarHBondContact O-CG 3.31Å; K129-M133 PolarHBondContact O-N 3.18Å; K129-L167 HydrophobicContact CB-CD2 4.4Å; K129-L167 HydrophobicContact CD-CD2 4.06Å; K129-F489 HydrophobicContact CB-CD1 4.47Å; K129-F489 HydrophobicContact CB-CE1 3.89Å; K129-F489 HydrophobicContact CB-CZ 4.21Å; K129-F489 HydrophobicContact CG-CD1 4.04Å; K129-F489 HydrophobicContact CG-CD2 4.39Å; K129-F489 HydrophobicContact CG-CE1 3.54Å; K129-F489 HydrophobicContact CG-CE2 3.91Å; K129-F489 HydrophobicContact CG-CG 4.49Å; K129-F489 HydrophobicContact CG-CZ 3.47Å; K129-F489 VanDerWaalsContact CG-CZ 3.47Å |
| 130 | N | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 173.3 | -172.7 | 79 | 0 | 0 | 0 | 111.5 | F98 D101 R105 T126 A127 V128 Q132 M133 A134 P486 F489 T491 | F98-N130 HydrophobicContact CE1-CB 3.98Å; D101-N130 PolarHBondContact OD2-ND2 3.19Å; D101-N130 VanDerWaalsContact OD2-ND2 3.11Å; R105-N130 PolarHBondContact NH2-ND2 3.42Å; T126-N130 PolarHBondContact O-N 3.16Å; A127-N130 WeakPolarHBondContact O-CB 3.25Å; A127-N130 PolarHBondContact O-N 3.29Å; V128-N130 VanDerWaalsContact C-N 3.32Å; V128-N130 PolarHBondContact O-N 3.18Å; N130-Q132 VanDerWaalsContact C-N 3.31Å; N130-Q132 PolarHBondContact O-N 3.01Å; N130-M133 PolarHBondContact O-N 3.47Å; N130-A134 WeakPolarHBondContact O-CB 3.35Å; N130-A134 PolarHBondContact O-N 2.88Å; N130-P486 PolarHBondContact OD1-O 3.29Å; N130-P486 VanDerWaalsContact OD1-O 3.09Å; N130-F489 HydrophobicContact CB-CD1 4.2Å; N130-T491 PolarHBondContact OD1-OG1 3.48Å |
| 131 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D101 A127 V128 A134 E135 S136 L138 | D101-A131 HydrophobicContact CB-CB 4.33Å; A127-A131 PolarHBondContact O-N 2.91Å; V128-A131 PolarHBondContact O-N 3.43Å; A131-A134 CarbonylContact O-C 3.58Å; A131-A134 PolarHBondContact O-N 3.36Å; A131-E135 PolarHBondContact O-N 3.28Å; A131-S136 PolarHBondContact O-N 2.79Å; A131-L138 HydrophobicContact CB-CB 4.42Å; A131-L138 HydrophobicContact CB-CD1 4.08Å |
| 132 | Q | 97.8 | Very high | 98.1 | Very high | 55 Ų | 55 | 23.4 Ų | 23.4 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 173.2 | -170.3 | -168.3 | 46.1 | 0 | 0 | 111.3 | V128 K129 N130 A134 E135 P166 L167 P198 | V128-Q132 WeakPolarHBondContact O-CB 3.2Å; V128-Q132 PolarHBondContact O-N 3.46Å; K129-Q132 VanDerWaalsContact CD-OE1 3.28Å; K129-Q132 WeakPolarHBondContact O-CB 3.14Å; K129-Q132 PolarHBondContact O-N 2.83Å; N130-Q132 VanDerWaalsContact C-N 3.31Å; N130-Q132 PolarHBondContact O-N 3.01Å; Q132-A134 VanDerWaalsContact C-N 3.25Å; Q132-A134 PolarHBondContact O-N 2.81Å; Q132-E135 PolarHBondContact O-N 3.2Å; Q132-E135 VanDerWaalsContact O-N 3.16Å; Q132-P166 PolarHBondContact NE2-O 3.39Å; Q132-L167 WeakPolarHBondContact CG-O 3.1Å; Q132-L167 VanDerWaalsContact NE2-C 3.34Å; Q132-L167 PolarHBondContact NE2-O 3.3Å; Q132-P198 HydrophobicContact CB-CG 3.82Å; Q132-P198 HydrophobicContact CG-CG 4.34Å |
| 133 | M | 96 | Very high | 98 | Very high | 82 Ų | 82 | 20.7 Ų | 20.7 | 40% | 0.404 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -68.8 | -25.7 | -179.2 | -68.8 | -62.1 | -61.8 | 0 | 0 | 112.7 | K129 N130 A488 F489 | K129-M133 HydrophobicContact CD-CG 4.33Å; K129-M133 VanDerWaalsContact O-CG 3.29Å; K129-M133 WeakPolarHBondContact O-CG 3.31Å; K129-M133 PolarHBondContact O-N 3.18Å; N130-M133 PolarHBondContact O-N 3.47Å; M133-A488 HydrophobicContact CE-CB 4.47Å; M133-F489 HydrophobicContact CB-CB 3.97Å; M133-F489 HydrophobicContact CG-CB 3.97Å; M133-F489 HydrophobicContact CG-CD2 4.3Å; M133-F489 HydrophobicContact CG-CG 4.13Å |
| 134 | A | 95.1 | Very high | 98 | Very high | 23 Ų | 23 | 17.9 Ų | 17.9 | 19% | 0.19 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N130 A131 Q132 S136 | N130-A134 WeakPolarHBondContact O-CB 3.35Å; N130-A134 PolarHBondContact O-N 2.88Å; A131-A134 CarbonylContact O-C 3.58Å; A131-A134 PolarHBondContact O-N 3.36Å; Q132-A134 VanDerWaalsContact C-N 3.25Å; Q132-A134 PolarHBondContact O-N 2.81Å; A134-S136 PolarHBondContact O-N 2.84Å; A134-S136 PolarHBondContact O-OG 3.34Å |
| 135 | E | 96.2 | Very high | 97.9 | Very high | 15 Ų | 15 | 18 Ų | 18 | 7% | 0.07 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 38.8 | 176.1 | -49.1 | 179.1 | 134.8 | 0 | 0 | 112.7 | A131 Q132 T195 P196 Q288 Q375 | A131-E135 PolarHBondContact O-N 3.28Å; Q132-E135 PolarHBondContact O-N 3.2Å; Q132-E135 VanDerWaalsContact O-N 3.16Å; E135-T195 HydrophobicContact CB-CG2 3.86Å; E135-T195 VanDerWaalsContact CD-CG2 3.43Å; E135-T195 HydrophobicContact CG-CG2 3.74Å; E135-T195 WeakPolarHBondContact OE1-CG2 2.97Å; E135-P196 CarbonylContact C-O 3.53Å; E135-P196 VanDerWaalsContact CA-O 3.28Å; E135-P196 WeakPolarHBondContact CA-O 3.32Å; E135-P196 CarbonylContact O-C 3.51Å; E135-P196 WeakPolarHBondContact O-CB 3.43Å; E135-Q288 PolarHBondContact OE1-NE2 2.89Å; E135-Q288 WeakPolarHBondContact OE2-CG 3.39Å; E135-Q288 PolarHBondContact OE2-NE2 2.63Å; E135-Q375 PolarHBondContact OE1-NE2 3.18Å; E135-Q375 PolarHBondContact OE1-OE1 2.92Å |
| 136 | S | 97 | Very high | 97.7 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | trans | -94.8 | 130.6 | -174.3 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | D101 R105 A131 A134 L138 G197 | D101-S136 WeakPolarHBondContact OD1-CB 3.25Å; D101-S136 PolarHBondContact OD1-OG 3.49Å; R105-S136 WeakPolarHBondContact CG-OG 3.33Å; R105-S136 PolarHBondContact NE-OG 2.85Å; A131-S136 PolarHBondContact O-N 2.79Å; A134-S136 PolarHBondContact O-N 2.84Å; A134-S136 PolarHBondContact O-OG 3.34Å; S136-L138 PolarHBondContact O-N 3.39Å; S136-G197 CarbonylContact O-C 3.54Å; S136-G197 WeakPolarHBondContact O-CA 3.47Å | ||
| 137 | P | 98.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 13.4 Ų | 13.4 | 7% | 0.065 | 7% | 0.071 | C | C | . | . | trans | -72.6 | 102.1 | 177.8 | 28.5 | -31.2 | 0 | 0 | 0 | 109.4 | A104 V110 G111 A191 Q192 P196 | A104-P137 HydrophobicContact CB-CG 4.16Å; A104-P137 WeakPolarHBondContact CB-O 3.38Å; V110-P137 WeakPolarHBondContact CA-O 3.35Å; V110-P137 WeakPolarHBondContact CG1-O 3.09Å; V110-P137 HydrophobicContact CG2-CB 4.29Å; G111-P137 PolarHBondContact N-O 3.45Å; P137-A191 HydrophobicContact CB-CB 4.36Å; P137-Q192 HydrophobicContact CB-CG 4.16Å; P137-P196 HydrophobicContact CB-CB 4.01Å; P137-P196 HydrophobicContact CG-CB 4.2Å | ||
| 138 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132 | -176.4 | -175.5 | 143.9 | 0 | 0 | 0 | 110.7 | V97 A100 D101 G111 A131 S136 L140 P198 V199 | V97-L138 HydrophobicContact CG1-CD1 3.73Å; V97-L138 HydrophobicContact CG1-CD2 4.33Å; A100-L138 HydrophobicContact CB-CD1 3.91Å; A100-L138 HydrophobicContact CB-CG 4.47Å; D101-L138 HydrophobicContact CB-CD1 4.14Å; G111-L138 CarbonylContact O-C 3.47Å; G111-L138 WeakPolarHBondContact O-CA 3.4Å; A131-L138 HydrophobicContact CB-CB 4.42Å; A131-L138 HydrophobicContact CB-CD1 4.08Å; S136-L138 PolarHBondContact O-N 3.39Å; L138-L140 HydrophobicContact CD2-CB 4.12Å; L138-P198 HydrophobicContact CB-CB 4.25Å; L138-P198 HydrophobicContact CD2-CB 4.32Å; L138-P198 CarbonylContact O-C 3.57Å; L138-P198 WeakPolarHBondContact O-CA 3.41Å; L138-V199 PolarHBondContact O-N 3.01Å |
| 139 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.5 | 171.9 | 170.7 | 61.7 | 0 | 0 | 0 | 108.9 | L57 V110 G111 V112 A113 L141 L184 L188 V199 I201 | L57-L139 HydrophobicContact CD2-CD2 3.78Å; V110-L139 HydrophobicContact CG1-CB 3.88Å; G111-L139 PolarHBondContact O-N 3.46Å; V112-L139 WeakPolarHBondContact CA-O 3.41Å; V112-L139 HydrophobicContact CG2-CB 4.33Å; V112-L139 HydrophobicContact CG2-CD2 4.47Å; A113-L139 PolarHBondContact N-O 2.88Å; L139-L141 HydrophobicContact CD1-CD2 3.87Å; L139-L141 HydrophobicContact CD2-CD2 4.01Å; L139-L141 HydrophobicContact CG-CD2 3.84Å; L139-L141 HydrophobicContact CG-CG 4.26Å; L139-L184 HydrophobicContact CD1-CD2 4.37Å; L139-L184 HydrophobicContact CD2-CD2 4.12Å; L139-L188 HydrophobicContact CB-CD2 4.42Å; L139-L188 HydrophobicContact CD2-CD2 3.74Å; L139-L188 HydrophobicContact CD2-CG 4.23Å; L139-V199 HydrophobicContact CB-CG2 4.19Å; L139-V199 HydrophobicContact CD1-CG2 3.73Å; L139-I201 HydrophobicContact CD1-CG1 3.79Å |
| 140 | L | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.7 | 171.2 | -176.9 | 65.2 | 0 | 0 | 0 | 109.9 | V97 A113 V115 L121 T124 V128 L138 F164 V199 F200 I201 | V97-L140 HydrophobicContact CG2-CD1 4.04Å; A113-L140 HydrophobicContact CB-CD1 4.1Å; A113-L140 WeakPolarHBondContact O-CA 3.4Å; V115-L140 HydrophobicContact CG2-CD1 4.06Å; L121-L140 HydrophobicContact CD1-CD2 3.63Å; L121-L140 HydrophobicContact CD1-CG 4.27Å; T124-L140 HydrophobicContact CG2-CD1 4.32Å; V128-L140 HydrophobicContact CG2-CD2 3.86Å; L138-L140 HydrophobicContact CD2-CB 4.12Å; L140-F164 HydrophobicContact CD2-CD1 4.06Å; L140-F164 HydrophobicContact CD2-CE1 3.47Å; L140-F164 VanDerWaalsContact CD2-CE1 3.47Å; L140-F164 HydrophobicContact CD2-CZ 4.13Å; L140-V199 PolarHBondContact N-O 3.4Å; L140-F200 HydrophobicContact CB-CD2 4.2Å; L140-F200 HydrophobicContact CD2-CD2 4.02Å; L140-F200 HydrophobicContact CD2-CE2 4.5Å; L140-F200 HydrophobicContact CG-CD2 4.03Å; L140-F200 WeakPolarHBondContact O-CA 3.46Å; L140-F200 WeakPolarHBondContact O-CD2 3.29Å; L140-I201 PolarHBondContact O-N 2.97Å |
| 141 | L | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 113.9 | 173.9 | -52.6 | 172.7 | 0 | 0 | 0 | 108.3 | V53 L57 L65 I76 V112 A113 A114 V115 L139 L184 I201 F203 | V53-L141 HydrophobicContact CG1-CD1 4.13Å; L57-L141 HydrophobicContact CD1-CD1 4.27Å; L65-L141 HydrophobicContact CD1-CD1 4.45Å; I76-L141 HydrophobicContact CG2-CD1 4.17Å; V112-L141 HydrophobicContact CG1-CD1 4.03Å; V112-L141 HydrophobicContact CG1-CG 4.46Å; A113-L141 PolarHBondContact O-N 3.41Å; A114-L141 CarbonylContact C-O 2.98Å; A114-L141 VanDerWaalsContact CA-O 3.26Å; A114-L141 WeakPolarHBondContact CA-O 3.36Å; A114-L141 HydrophobicContact CB-CB 3.99Å; A114-L141 HydrophobicContact CB-CD1 4.37Å; V115-L141 PolarHBondContact N-O 3.05Å; L139-L141 HydrophobicContact CD1-CD2 3.87Å; L139-L141 HydrophobicContact CD2-CD2 4.01Å; L139-L141 HydrophobicContact CG-CD2 3.84Å; L139-L141 HydrophobicContact CG-CG 4.26Å; L141-L184 HydrophobicContact CD2-CD2 3.88Å; L141-I201 HydrophobicContact CD2-CB 4.4Å; L141-F203 HydrophobicContact CB-CE2 4.29Å; L141-F203 HydrophobicContact CD2-CE2 3.58Å; L141-F203 HydrophobicContact CD2-CZ 4.16Å; L141-F203 HydrophobicContact CG-CE2 4.49Å |
| 142 | G | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V115 I201 E202 F203 | V115-G142 WeakPolarHBondContact O-CA 3.19Å; G142-I201 PolarHBondContact N-O 3.13Å; G142-E202 CarbonylContact O-C 3.59Å; G142-E202 WeakPolarHBondContact O-CA 3.38Å; G142-F203 PolarHBondContact O-N 2.62Å |
| 143 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 158.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V115 A117 Q160 F203 | V115-G143 PolarHBondContact O-N 3.12Å; A117-G143 VanDerWaalsContact CA-O 3.26Å; A117-G143 WeakPolarHBondContact CA-O 3.4Å; A117-G143 WeakPolarHBondContact CB-O 3.48Å; G143-Q160 PolarHBondContact O-NE2 3.19Å; G143-Q160 PolarHBondContact O-OE1 3.43Å; G143-F203 CarbonylContact C-O 3.59Å |
| 144 | A | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 162.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E202 F203 P204 I205 | A144-E202 HydrophobicContact CB-CG 3.41Å; A144-E202 VanDerWaalsContact CB-CG 3.41Å; A144-F203 PolarHBondContact N-O 2.88Å; A144-P204 WeakPolarHBondContact O-CA 3.4Å; A144-I205 VanDerWaalsContact O-CG2 3.3Å; A144-I205 WeakPolarHBondContact O-CG2 3.37Å; A144-I205 PolarHBondContact O-N 3.34Å |
| 145 | A | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | trans | -54.7 | 152.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q150 A154 D157 P204 | A145-Q150 HydrophobicContact CB-CG 4.32Å; A145-A154 HydrophobicContact CB-CB 3.66Å; A145-D157 HydrophobicContact CB-CB 3.93Å; A145-P204 WeakPolarHBondContact O-CB 3.37Å | ||
| 146 | S | 95.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | trans | -55.8 | 146 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | L148 L149 Q150 D206 | S146-L148 VanDerWaalsContact C-N 3.26Å; S146-L148 PolarHBondContact O-N 3.19Å; S146-L149 PolarHBondContact O-N 3.03Å; S146-L149 WeakPolarHBondContact OG-CB 3.34Å; S146-L149 WeakPolarHBondContact OG-CD1 3.48Å; S146-L149 VanDerWaalsContact OG-CG 3.25Å; S146-L149 WeakPolarHBondContact OG-CG 3.37Å; S146-Q150 PolarHBondContact O-N 3.19Å; S146-D206 VanDerWaalsContact CA-OD1 3.27Å; S146-D206 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 147 | T | 94.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 10% | 0.104 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -39.5 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | P204 D206 H239 | T147-P204 HydrophobicContact CG2-CB 3.72Å; T147-P204 HydrophobicContact CG2-CG 3.87Å; T147-D206 WeakPolarHBondContact CB-OD2 3.23Å; T147-D206 VanDerWaalsContact N-CG 3.33Å; T147-D206 PolarHBondContact N-OD1 3.43Å; T147-D206 PolarHBondContact N-OD2 3.26Å; T147-D206 PolarHBondContact OG1-OD2 2.86Å; T147-H239 PolarHBondContact OG1-CE1 3.36Å; T147-H239 PolarHBondContact OG1-NE2 2.86Å |
| 148 | L | 92.2 | Very high | 95.5 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.1 | 179.5 | -70.4 | -169.1 | 0 | 0 | 0 | 115 | S146 R152 F218 Y235 L236 | S146-L148 VanDerWaalsContact C-N 3.26Å; S146-L148 PolarHBondContact O-N 3.19Å; L148-R152 WeakPolarHBondContact O-CD 3.4Å; L148-R152 PolarHBondContact O-NE 3.15Å; L148-R152 VanDerWaalsContact O-NE 3.15Å; L148-R152 PolarHBondContact O-NH1 3.46Å; L148-F218 HydrophobicContact CD1-CD1 3.77Å; L148-F218 HydrophobicContact CD1-CE1 3.22Å; L148-F218 HydrophobicContact CD1-CZ 4.02Å; L148-F218 HydrophobicContact CG-CE1 3.74Å; L148-F218 HydrophobicContact CG-CZ 4.13Å; L148-Y235 HydrophobicContact CD2-CE1 4.12Å; L148-L236 HydrophobicContact CD1-CD2 3.32Å |
| 149 | L | 92.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 45% | 0.445 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -8.7 | -177.7 | -60.4 | -177.6 | 0 | 0 | 0 | 113.3 | S146 G151 R152 A154 | S146-L149 PolarHBondContact O-N 3.03Å; S146-L149 WeakPolarHBondContact OG-CB 3.34Å; S146-L149 WeakPolarHBondContact OG-CD1 3.48Å; S146-L149 VanDerWaalsContact OG-CG 3.25Å; S146-L149 WeakPolarHBondContact OG-CG 3.37Å; L149-G151 PolarHBondContact O-N 2.89Å; L149-R152 VanDerWaalsContact O-CB 3.31Å; L149-R152 WeakPolarHBondContact O-CB 3.44Å; L149-R152 PolarHBondContact O-N 3.33Å; L149-A154 HydrophobicContact CB-CB 3.94Å |
| 150 | Q | 93.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 134.3 | 173.7 | -69.7 | -173.3 | -28.8 | 0 | 0 | 111.2 | A145 S146 R152 E202 | A145-Q150 HydrophobicContact CB-CG 4.32Å; S146-Q150 PolarHBondContact O-N 3.19Å; Q150-R152 PolarHBondContact O-N 3.34Å; Q150-E202 PolarHBondContact NE2-OE2 2.85Å |
| 151 | G | 92.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 46.6 Ų | 46.6 | 77% | 0.773 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 7.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | L149 D157 | L149-G151 PolarHBondContact O-N 2.89Å; G151-D157 WeakPolarHBondContact CA-OD2 3.38Å; G151-D157 PolarHBondContact N-OD2 2.74Å |
| 152 | R | 93.2 | Very high | 95 | Very high | 185 Ų | 185 | 49.8 Ų | 49.8 | 70% | 0.698 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 13.5 | -176.9 | -54.4 | -172.3 | 178.5 | -179.5 | -0.4 | 113.8 | L148 L149 Q150 | L148-R152 WeakPolarHBondContact O-CD 3.4Å; L148-R152 PolarHBondContact O-NE 3.15Å; L148-R152 VanDerWaalsContact O-NE 3.15Å; L148-R152 PolarHBondContact O-NH1 3.46Å; L149-R152 VanDerWaalsContact O-CB 3.31Å; L149-R152 WeakPolarHBondContact O-CB 3.44Å; L149-R152 PolarHBondContact O-N 3.33Å; Q150-R152 PolarHBondContact O-N 3.34Å |
| 153 | G | 91.1 | Very high | 94.9 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 73% | 0.732 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 30.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 154 | A | 93 | Very high | 94.9 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | trans | -64 | 159.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A145 L149 Q156 D157 | A145-A154 HydrophobicContact CB-CB 3.66Å; L149-A154 HydrophobicContact CB-CB 3.94Å; A154-Q156 PolarHBondContact O-N 2.9Å; A154-D157 HydrophobicContact CB-CB 3.93Å; A154-D157 WeakPolarHBondContact O-CB 3.24Å; A154-D157 PolarHBondContact O-N 3.23Å; A154-D157 VanDerWaalsContact O-N 3.08Å | ||
| 155 | L | 92.9 | Very high | 94.9 | Very high | 141 Ų | 141 | 59.6 Ų | 59.6 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 125.6 | 178.5 | -179.9 | 65.7 | 0 | 0 | 0 | 110.2 | D157 | L155-D157 PolarHBondContact O-N 2.72Š|
| 156 | Q | 95.5 | Very high | 94.9 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 18.9 | 179.6 | -62.6 | -178.6 | -23.7 | 0 | 0 | 115.1 | H72 T116 A117 G118 P119 A154 | H72-Q156 PolarHBondContact CE1-OE1 3.27Å; H72-Q156 VanDerWaalsContact CE1-OE1 3.28Å; T116-Q156 PolarHBondContact OG1-OE1 2.64Å; A117-Q156 HydrophobicContact CB-CB 4.03Å; A117-Q156 PolarHBondContact O-OE1 3.24Å; G118-Q156 WeakPolarHBondContact CA-O 3.34Å; G118-Q156 PolarHBondContact N-O 3.46Å; P119-Q156 HydrophobicContact CG-CG 4.19Å; A154-Q156 PolarHBondContact O-N 2.9Å |
| 157 | D | 96.1 | Very high | 95 | Very high | 34 Ų | 34 | 64.2 Ų | 64.2 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | trans | -79.1 | 126.1 | 178.3 | -173.9 | 42.6 | 0 | 0 | 0 | 112 | A145 G151 A154 L155 | A145-D157 HydrophobicContact CB-CB 3.93Å; G151-D157 WeakPolarHBondContact CA-OD2 3.38Å; G151-D157 PolarHBondContact N-OD2 2.74Å; A154-D157 HydrophobicContact CB-CB 3.93Å; A154-D157 WeakPolarHBondContact O-CB 3.24Å; A154-D157 PolarHBondContact O-N 3.23Å; A154-D157 VanDerWaalsContact O-N 3.08Å; L155-D157 PolarHBondContact O-N 2.72Å | ||
| 158 | I | 96.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 64 Ų | 64 | 35% | 0.349 | 37% | 0.365 | S | S | . | . | trans | -148.5 | 166.6 | 176.8 | 64.1 | 174.7 | 0 | 0 | 0 | 109.4 | T122 Q160 L163 | T122-I158 HydrophobicContact CG2-CD1 3.66Å; I158-Q160 VanDerWaalsContact C-N 3.26Å; I158-Q160 HydrophobicContact CD1-CG 4.16Å; I158-Q160 HydrophobicContact CG1-CG 3.54Å; I158-Q160 PolarHBondContact O-N 3.46Å; I158-L163 HydrophobicContact CD1-CD1 3.77Å | ||
| 159 | D | 96.1 | Very high | 95.6 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | trans | -76.1 | 79 | 168.7 | -175.6 | 0.5 | 0 | 0 | 0 | 111.3 | M161 S162 | D159-M161 VanDerWaalsContact C-N 3.26Å; D159-M161 PolarHBondContact O-N 3.38Å; D159-M161 PolarHBondContact OD1-N 3.38Å; D159-S162 VanDerWaalsContact CG-OG 3.23Å; D159-S162 PolarHBondContact O-N 2.94Å; D159-S162 PolarHBondContact OD1-N 2.98Å; D159-S162 VanDerWaalsContact OD1-N 3.08Å; D159-S162 PolarHBondContact OD1-OG 2.8Å; D159-S162 WeakPolarHBondContact OD2-CB 3.3Å; D159-S162 PolarHBondContact OD2-OG 2.96Å | ||
| 160 | Q | 96.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -32.6 | 179.5 | -57.9 | -168.8 | 146.1 | 0 | 0 | 112.1 | L121 G143 I158 L163 F164 F200 E202 | L121-Q160 HydrophobicContact CD2-CB 3.44Å; L121-Q160 VanDerWaalsContact CD2-CB 3.44Å; L121-Q160 HydrophobicContact CD2-CG 3.53Å; G143-Q160 PolarHBondContact O-NE2 3.19Å; G143-Q160 PolarHBondContact O-OE1 3.43Å; I158-Q160 VanDerWaalsContact C-N 3.26Å; I158-Q160 HydrophobicContact CD1-CG 4.16Å; I158-Q160 HydrophobicContact CG1-CG 3.54Å; I158-Q160 PolarHBondContact O-N 3.46Å; Q160-L163 PolarHBondContact O-N 2.94Å; Q160-F164 WeakPolarHBondContact O-CD2 3.3Å; Q160-F164 PolarHBondContact O-N 3.21Å; Q160-F200 HydrophobicContact CB-CE1 4.2Å; Q160-F200 HydrophobicContact CB-CZ 4.25Å; Q160-E202 WeakPolarHBondContact CB-OE1 3.43Å; Q160-E202 PolarHBondContact NE2-OE1 3.26Å |
| 161 | M | 96.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | -178.4 | -72.4 | -62.3 | 123.5 | 0 | 0 | 111.9 | D159 L163 F164 K165 C171 F200 E202 | D159-M161 VanDerWaalsContact C-N 3.26Å; D159-M161 PolarHBondContact O-N 3.38Å; D159-M161 PolarHBondContact OD1-N 3.38Å; M161-L163 PolarHBondContact O-N 3.4Å; M161-F164 PolarHBondContact O-N 2.83Å; M161-K165 VanDerWaalsContact O-CG 3.28Å; M161-K165 WeakPolarHBondContact O-CG 3.46Å; M161-K165 PolarHBondContact O-N 3.37Å; M161-C171 HydrophobicContact SD-CB 3.98Å; M161-F200 HydrophobicContact CE-CD1 3.81Å; M161-F200 HydrophobicContact CE-CE1 3.28Å; M161-F200 HydrophobicContact CE-CZ 4.11Å; M161-F200 HydrophobicContact SD-CE1 4.4Å; M161-E202 HydrophobicContact CE-CB 3.21Å; M161-E202 HydrophobicContact CE-CG 4.08Å |
| 162 | S | 96.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -30.2 | 179.7 | -69 | 0 | 0 | 0 | 0 | 112.7 | D159 | D159-S162 VanDerWaalsContact CG-OG 3.23Å; D159-S162 PolarHBondContact O-N 2.94Å; D159-S162 PolarHBondContact OD1-N 2.98Å; D159-S162 VanDerWaalsContact OD1-N 3.08Å; D159-S162 PolarHBondContact OD1-OG 2.8Å; D159-S162 WeakPolarHBondContact OD2-CB 3.3Å; D159-S162 PolarHBondContact OD2-OG 2.96Å |
| 163 | L | 96.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 175.7 | -66.2 | 174.9 | 0 | 0 | 0 | 113 | T122 I158 Q160 M161 | T122-L163 HydrophobicContact CG2-CD1 3.9Å; I158-L163 HydrophobicContact CD1-CD1 3.77Å; Q160-L163 PolarHBondContact O-N 2.94Å; M161-L163 PolarHBondContact O-N 3.4Å |
| 164 | F | 98 | Very high | 97 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -100.8 | -20.6 | -169.5 | -79.5 | -97.8 | 0 | 0 | 0 | 115.3 | L121 T124 V125 V128 L140 Q160 M161 P166 L167 C168 F200 | L121-F164 HydrophobicContact CD1-CE1 4.24Å; L121-F164 HydrophobicContact CD1-CE2 3.88Å; L121-F164 HydrophobicContact CD1-CZ 3.71Å; L121-F164 HydrophobicContact CD2-CD2 3.92Å; L121-F164 HydrophobicContact CD2-CE2 3.59Å; L121-F164 HydrophobicContact CD2-CZ 4.29Å; L121-F164 HydrophobicContact CG-CD2 4.2Å; L121-F164 HydrophobicContact CG-CE2 3.41Å; L121-F164 VanDerWaalsContact CG-CE2 3.41Å; L121-F164 HydrophobicContact CG-CZ 3.66Å; T124-F164 VanDerWaalsContact OG1-CZ 3.31Å; T124-F164 WeakPolarHBondContact OG1-CZ 3.22Å; V125-F164 HydrophobicContact CG2-CE2 4.12Å; V125-F164 HydrophobicContact CG2-CZ 3.88Å; V128-F164 HydrophobicContact CB-CE1 4.38Å; V128-F164 HydrophobicContact CG1-CE1 4.49Å; V128-F164 HydrophobicContact CG2-CE1 4.02Å; L140-F164 HydrophobicContact CD2-CD1 4.06Å; L140-F164 HydrophobicContact CD2-CE1 3.47Å; L140-F164 VanDerWaalsContact CD2-CE1 3.47Å; L140-F164 HydrophobicContact CD2-CZ 4.13Å; Q160-F164 WeakPolarHBondContact O-CD2 3.3Å; Q160-F164 PolarHBondContact O-N 3.21Å; M161-F164 PolarHBondContact O-N 2.83Å; F164-P166 VanDerWaalsContact C-CD 3.45Å; F164-P166 VanDerWaalsContact C-N 3.32Å; F164-L167 HydrophobicContact CD1-CD1 4.26Å; F164-L167 HydrophobicContact CE1-CD1 4.38Å; F164-L167 PolarHBondContact O-N 2.9Å; F164-C168 PolarHBondContact O-N 3.18Å; F164-F200 HydrophobicContact CB-CB 4.22Å; F164-F200 HydrophobicContact CB-CD1 3.57Å; F164-F200 HydrophobicContact CB-CE1 4.18Å; F164-F200 HydrophobicContact CB-CG 4.06Å; F164-F200 HydrophobicContact CD1-CB 4.4Å; F164-F200 HydrophobicContact CD1-CG 4.3Å; F164-F200 HydrophobicContact CD2-CD1 4.48Å; F164-F200 HydrophobicContact CD2-CE1 4.39Å; F164-F200 AromaticContact CG-CD1 3.94Å; F164-F200 HydrophobicContact CG-CD1 3.94Å; F164-F200 HydrophobicContact CG-CE1 4.3Å; F164-F200 HydrophobicContact CG-CG 4.17Å |
| 165 | K | 97.9 | Very high | 97.1 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -41.4 | 176.3 | -83.2 | 171.6 | -178.4 | 172.6 | 0 | 114.1 | M161 L167 C171 | M161-K165 VanDerWaalsContact O-CG 3.28Å; M161-K165 WeakPolarHBondContact O-CG 3.46Å; M161-K165 PolarHBondContact O-N 3.37Å; K165-L167 VanDerWaalsContact C-N 3.29Å; K165-L167 PolarHBondContact O-N 3.24Å; K165-C171 HydrophobicContact CG-CB 4.21Å |
| 166 | P | 97.4 | Very high | 97.3 | Very high | 92 Ų | 92 | 48 Ų | 48 | 60% | 0.597 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.7 | 177.4 | -18.1 | 33.3 | 0 | 0 | 0 | 114 | Q132 F164 | Q132-P166 PolarHBondContact NE2-O 3.39Å; F164-P166 VanDerWaalsContact C-CD 3.45Å; F164-P166 VanDerWaalsContact C-N 3.32Å |
| 167 | L | 97.7 | Very high | 97.4 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -27.2 | -174.5 | -52.9 | 179.2 | 0 | 0 | 0 | 112 | V125 V128 K129 Q132 F164 K165 P198 | V125-L167 HydrophobicContact CB-CD1 4.44Å; V125-L167 HydrophobicContact CG1-CD1 3.94Å; V125-L167 HydrophobicContact CG2-CD1 4.4Å; V128-L167 HydrophobicContact CG1-CB 4.01Å; K129-L167 HydrophobicContact CB-CD2 4.4Å; K129-L167 HydrophobicContact CD-CD2 4.06Å; Q132-L167 WeakPolarHBondContact CG-O 3.1Å; Q132-L167 VanDerWaalsContact NE2-C 3.34Å; Q132-L167 PolarHBondContact NE2-O 3.3Å; F164-L167 HydrophobicContact CD1-CD1 4.26Å; F164-L167 HydrophobicContact CE1-CD1 4.38Å; F164-L167 PolarHBondContact O-N 2.9Å; K165-L167 VanDerWaalsContact C-N 3.29Å; K165-L167 PolarHBondContact O-N 3.24Å; L167-P198 VanDerWaalsContact O-CG 3.26Å; L167-P198 WeakPolarHBondContact O-CG 3.33Å |
| 168 | C | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | trans | -115 | 150.5 | -170.4 | -64 | 0 | 0 | 0 | 0 | 112.9 | F164 F170 P198 F200 | F164-C168 PolarHBondContact O-N 3.18Å; C168-F170 VanDerWaalsContact C-N 3.29Å; C168-P198 CarbonylContact C-O 3.48Å; C168-P198 VanDerWaalsContact CA-O 3.26Å; C168-P198 WeakPolarHBondContact CA-O 3.5Å; C168-P198 WeakPolarHBondContact CB-O 3.41Å; C168-F200 HydrophobicContact CB-CB 4.46Å | ||
| 169 | K | 98.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 44.6 Ų | 44.6 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -71.1 | -27 | 172.6 | -64.7 | 178.2 | 65.4 | -172.8 | 0 | 112.7 | I190 S193 T195 P198 V199 | K169-I190 HydrophobicContact CB-CG2 3.85Å; K169-I190 WeakPolarHBondContact CE-O 3.19Å; K169-I190 PolarHBondContact NZ-O 3.05Å; K169-S193 PolarHBondContact NZ-O 3.11Å; K169-T195 WeakPolarHBondContact CE-O 3.16Å; K169-T195 PolarHBondContact NZ-O 3.14Å; K169-P198 PolarHBondContact N-O 2.87Å; K169-V199 HydrophobicContact CB-CG1 4.34Å |
| 170 | F | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 17% | 0.171 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 135.9 | 179.4 | 179.2 | -110.5 | 0 | 0 | 0 | 109.5 | C168 A172 T183 K186 A187 I190 V199 F200 I201 | C168-F170 VanDerWaalsContact C-N 3.29Å; F170-A172 HydrophobicContact CE1-CB 3.75Å; F170-A172 HydrophobicContact CZ-CB 3.68Å; F170-T183 HydrophobicContact CE1-CG2 4.24Å; F170-K186 HydrophobicContact CE2-CD 4.47Å; F170-K186 HydrophobicContact CZ-CD 4.29Å; F170-A187 HydrophobicContact CD1-CB 3.82Å; F170-A187 HydrophobicContact CE1-CB 4.04Å; F170-I190 HydrophobicContact CB-CB 4.41Å; F170-I190 HydrophobicContact CB-CD1 3.95Å; F170-I190 HydrophobicContact CB-CG2 3.93Å; F170-I190 HydrophobicContact CD1-CD1 4.43Å; F170-I190 HydrophobicContact CD2-CD1 3.86Å; F170-I190 HydrophobicContact CE2-CD1 4.48Å; F170-I190 HydrophobicContact CG-CD1 3.83Å; F170-V199 HydrophobicContact CB-CB 4.29Å; F170-V199 HydrophobicContact CB-CG1 3.85Å; F170-V199 WeakPolarHBondContact O-CA 3.4Å; F170-F200 PolarHBondContact O-N 3.06Å; F170-I201 HydrophobicContact CD1-CD1 3.85Å; F170-I201 HydrophobicContact CE1-CD1 3.65Å |
| 171 | C | 98.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 40 Ų | 40 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.1 | 172.3 | -66.7 | 0 | 0 | 0 | 0 | 108.7 | M161 K165 F200 | M161-C171 HydrophobicContact SD-CB 3.98Å; K165-C171 HydrophobicContact CG-CB 4.21Å; C171-F200 VanDerWaalsContact CA-O 3.23Å; C171-F200 WeakPolarHBondContact CA-O 3.12Å |
| 172 | A | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | F170 T183 F200 I201 E202 | F170-A172 HydrophobicContact CE1-CB 3.75Å; F170-A172 HydrophobicContact CZ-CB 3.68Å; A172-T183 HydrophobicContact CB-CG2 3.69Å; A172-F200 PolarHBondContact N-O 3.37Å; A172-F200 VanDerWaalsContact N-O 3.09Å; A172-I201 HydrophobicContact CB-CD1 4.01Å; A172-I201 WeakPolarHBondContact O-CA 3.28Å; A172-E202 PolarHBondContact O-N 3.2Å |
| 173 | S | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 40 Ų | 40 | 15% | 0.154 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124 | 171.3 | -180 | 0 | 0 | 0 | 0 | 108.1 | E202 | S173-E202 WeakPolarHBondContact CB-OE2 3.5Å; S173-E202 PolarHBondContact OG-OE2 3.18Å |
| 174 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -70.9 | 128.3 | 178.5 | -59.2 | -55.8 | 0 | 0 | 0 | 109 | T176 E179 I180 T183 I201 E202 F203 P204 T207 | I174-T176 VanDerWaalsContact CG2-O 3.27Å; I174-T176 WeakPolarHBondContact CG2-O 3.29Å; I174-E179 HydrophobicContact CD1-CB 4.45Å; I174-E179 HydrophobicContact CG2-CB 4.46Å; I174-I180 HydrophobicContact CG1-CG1 4.38Å; I174-I180 HydrophobicContact CG2-CG1 3.75Å; I174-T183 HydrophobicContact CD1-CG2 3.72Å; I174-I201 HydrophobicContact CD1-CG2 4.07Å; I174-I201 HydrophobicContact CG1-CG2 4.03Å; I174-E202 PolarHBondContact N-O 2.58Å; I174-F203 HydrophobicContact CB-CD1 4.37Å; I174-F203 HydrophobicContact CG1-CD1 3.81Å; I174-F203 HydrophobicContact CG1-CE1 3.68Å; I174-F203 HydrophobicContact CG1-CG 4.47Å; I174-F203 HydrophobicContact CG1-CZ 4.22Å; I174-P204 VanDerWaalsContact O-CD 3.23Å; I174-P204 WeakPolarHBondContact O-CD 3.25Å; I174-P204 WeakPolarHBondContact O-CG 3.41Å; I174-T207 HydrophobicContact CB-CG2 4.44Å; I174-T207 HydrophobicContact CG2-CG2 3.89Å | ||
| 175 | R | 96.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 38.1 Ų | 38.1 | 42% | 0.423 | 19% | 0.193 | S | C | . | . | trans | -107.9 | -25.6 | 178.3 | -59.8 | -57.8 | -176.2 | 174.3 | -7.6 | 112.9 | E179 L243 | R175-E179 PolarHBondContact N-OE2 3.18Å; R175-L243 WeakPolarHBondContact O-CD1 3.17Å | ||
| 176 | T | 97.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -139.4 | 151.5 | 176.6 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | I174 R178 E179 | I174-T176 VanDerWaalsContact CG2-O 3.27Å; I174-T176 WeakPolarHBondContact CG2-O 3.29Å; T176-R178 PolarHBondContact O-N 3.08Å; T176-R178 WeakPolarHBondContact OG1-CG 3.29Å; T176-E179 PolarHBondContact N-OE2 3.29Å; T176-E179 WeakPolarHBondContact O-CB 3.45Å; T176-E179 PolarHBondContact O-N 3.18Å; T176-E179 WeakPolarHBondContact OG1-CG 3.45Å; T176-E179 PolarHBondContact OG1-OE1 3.35Å |
| 177 | V | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -59.9 | -34 | -175.9 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | E179 I180 L243 F244 A247 W248 | V177-E179 PolarHBondContact O-N 2.89Å; V177-I180 HydrophobicContact CG1-CD1 4.13Å; V177-I180 WeakPolarHBondContact O-CB 3.35Å; V177-I180 WeakPolarHBondContact O-CG1 3.34Å; V177-I180 PolarHBondContact O-N 3.2Å; V177-L243 WeakPolarHBondContact CG2-O 3.25Å; V177-L243 PolarHBondContact N-O 3.48Å; V177-F244 HydrophobicContact CG2-CD1 4.01Å; V177-F244 HydrophobicContact CG2-CE1 4.04Å; V177-A247 HydrophobicContact CB-CB 3.75Å; V177-A247 HydrophobicContact CG1-CB 3.62Å; V177-A247 HydrophobicContact CG2-CB 4.49Å; V177-W248 HydrophobicContact CG1-CH2 3.86Å; V177-W248 HydrophobicContact CG1-CZ3 3.78Å |
| 178 | R | 96.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -62.5 | -21.2 | 176.7 | 59.8 | 174.1 | 178.9 | -79.1 | 0.5 | 114.6 | Y35 T176 P182 N242 A245 | Y35-R178 VanDerWaalsContact CE1-CD 3.4Å; Y35-R178 VanDerWaalsContact OH-CD 3.31Å; Y35-R178 WeakPolarHBondContact OH-CD 3.44Å; T176-R178 PolarHBondContact O-N 3.08Å; T176-R178 WeakPolarHBondContact OG1-CG 3.29Å; R178-P182 WeakPolarHBondContact O-CD 3.35Å; R178-N242 PolarHBondContact NH1-O 3.39Å; R178-N242 PolarHBondContact NH1-OD1 3.29Å; R178-N242 PolarHBondContact NH2-OD1 2.91Å; R178-A245 PolarHBondContact NH1-O 2.81Å |
| 179 | E | 97.7 | Very high | 98.3 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 28% | 0.276 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -81.4 | -16.4 | -179.4 | -71.8 | 160.4 | -153.9 | 0 | 0 | 113.2 | I174 R175 T176 V177 V181 P182 T183 | I174-E179 HydrophobicContact CD1-CB 4.45Å; I174-E179 HydrophobicContact CG2-CB 4.46Å; R175-E179 PolarHBondContact N-OE2 3.18Å; T176-E179 PolarHBondContact N-OE2 3.29Å; T176-E179 WeakPolarHBondContact O-CB 3.45Å; T176-E179 PolarHBondContact O-N 3.18Å; T176-E179 WeakPolarHBondContact OG1-CG 3.45Å; T176-E179 PolarHBondContact OG1-OE1 3.35Å; V177-E179 PolarHBondContact O-N 2.89Å; E179-V181 PolarHBondContact O-N 3.07Å; E179-P182 WeakPolarHBondContact O-CD 3.46Å; E179-P182 WeakPolarHBondContact O-CG 3.43Å; E179-T183 WeakPolarHBondContact O-CB 3.49Å; E179-T183 PolarHBondContact O-N 2.86Å; E179-T183 PolarHBondContact O-OG1 3.38Å |
| 180 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.6 | -54.1 | -174.1 | -67 | 175.1 | 0 | 0 | 0 | 111 | V53 I174 V177 T183 L184 F203 | V53-I180 HydrophobicContact CG2-CG2 3.63Å; I174-I180 HydrophobicContact CG1-CG1 4.38Å; I174-I180 HydrophobicContact CG2-CG1 3.75Å; V177-I180 HydrophobicContact CG1-CD1 4.13Å; V177-I180 WeakPolarHBondContact O-CB 3.35Å; V177-I180 WeakPolarHBondContact O-CG1 3.34Å; V177-I180 PolarHBondContact O-N 3.2Å; I180-T183 PolarHBondContact O-N 3.45Å; I180-L184 HydrophobicContact CG2-CD1 3.78Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 WeakPolarHBondContact O-CG 3.24Å; I180-L184 PolarHBondContact O-N 3.36Å; I180-F203 HydrophobicContact CG1-CE1 4.16Å; I180-F203 HydrophobicContact CG2-CE1 4.21Å |
| 181 | V | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -58 | -176.8 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | V56 E179 T183 L184 R185 R251 D252 V253 | V56-V181 HydrophobicContact CG2-CB 4.19Å; V56-V181 HydrophobicContact CG2-CG1 3.98Å; V56-V181 HydrophobicContact CG2-CG2 4Å; E179-V181 PolarHBondContact O-N 3.07Å; V181-T183 VanDerWaalsContact C-N 3.29Å; V181-T183 PolarHBondContact O-N 2.85Å; V181-L184 PolarHBondContact O-N 3.46Å; V181-R185 HydrophobicContact CG1-CG 4.49Å; V181-R185 VanDerWaalsContact O-CG 3.31Å; V181-R185 WeakPolarHBondContact O-CG 3.21Å; V181-R185 PolarHBondContact O-N 3.42Å; V181-R185 VanDerWaalsContact O-N 3.08Å; V181-R251 HydrophobicContact CB-CB 4.32Å; V181-R251 HydrophobicContact CG1-CB 3.9Å; V181-D252 WeakPolarHBondContact CG1-O 3.17Å; V181-V253 HydrophobicContact CG1-CG1 3.94Å; V181-V253 HydrophobicContact CG2-CG1 4.45Å |
| 182 | P | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 44% | 0.435 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.2 | -34.6 | -178.2 | 23.8 | -34 | 0 | 0 | 0 | 112.8 | R178 E179 K186 | R178-P182 WeakPolarHBondContact O-CD 3.35Å; E179-P182 WeakPolarHBondContact O-CD 3.46Å; E179-P182 WeakPolarHBondContact O-CG 3.43Å; P182-K186 WeakPolarHBondContact O-CB 2.92Å; P182-K186 PolarHBondContact O-N 3.12Å; P182-K186 VanDerWaalsContact O-N 3.11Å |
| 183 | T | 98.9 | Very high | 98.2 | Very high | 26 Ų | 26 | 29.5 Ų | 29.5 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.3 | -45.1 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | F170 A172 I174 E179 I180 V181 K186 A187 I201 | F170-T183 HydrophobicContact CE1-CG2 4.24Å; A172-T183 HydrophobicContact CB-CG2 3.69Å; I174-T183 HydrophobicContact CD1-CG2 3.72Å; E179-T183 WeakPolarHBondContact O-CB 3.49Å; E179-T183 PolarHBondContact O-N 2.86Å; E179-T183 PolarHBondContact O-OG1 3.38Å; I180-T183 PolarHBondContact O-N 3.45Å; V181-T183 VanDerWaalsContact C-N 3.29Å; V181-T183 PolarHBondContact O-N 2.85Å; T183-K186 PolarHBondContact O-N 2.74Å; T183-A187 WeakPolarHBondContact O-CB 3.26Å; T183-A187 PolarHBondContact O-N 2.73Å; T183-I201 HydrophobicContact CG2-CD1 4Å; T183-I201 HydrophobicContact CG2-CG2 4.24Å |
| 184 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 178.5 | -76.3 | 174.4 | 0 | 0 | 0 | 112.5 | V53 V56 L139 L141 I180 V181 K186 A187 L188 I201 F203 | V53-L184 HydrophobicContact CB-CD1 4.13Å; V53-L184 HydrophobicContact CG1-CD1 3.92Å; V53-L184 HydrophobicContact CG2-CD1 4.04Å; V56-L184 HydrophobicContact CB-CB 4.41Å; V56-L184 HydrophobicContact CB-CD1 4.35Å; V56-L184 HydrophobicContact CG1-CB 3.78Å; L139-L184 HydrophobicContact CD1-CD2 4.37Å; L139-L184 HydrophobicContact CD2-CD2 4.12Å; L141-L184 HydrophobicContact CD2-CD2 3.88Å; I180-L184 HydrophobicContact CG2-CD1 3.78Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 WeakPolarHBondContact O-CG 3.24Å; I180-L184 PolarHBondContact O-N 3.36Å; V181-L184 PolarHBondContact O-N 3.46Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 2.77Å; L184-A187 PolarHBondContact O-N 2.86Å; L184-L188 WeakPolarHBondContact O-CB 3.19Å; L184-L188 WeakPolarHBondContact O-CG 3.34Å; L184-L188 PolarHBondContact O-N 2.64Å; L184-I201 HydrophobicContact CD2-CB 4.48Å; L184-I201 HydrophobicContact CD2-CG1 4.12Å; L184-F203 HydrophobicContact CD1-CZ 4.27Å; L184-F203 HydrophobicContact CD2-CZ 4.13Å; L184-F203 HydrophobicContact CG-CZ 4.34Å |
| 185 | R | 98.7 | Very high | 98 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 174.2 | -71.3 | 178.2 | 72.4 | -168.4 | 2.2 | 111.7 | V56 V181 A189 D252 S254 L256 | V56-R185 HydrophobicContact CG1-CG 4.34Å; V181-R185 HydrophobicContact CG1-CG 4.49Å; V181-R185 VanDerWaalsContact O-CG 3.31Å; V181-R185 WeakPolarHBondContact O-CG 3.21Å; V181-R185 PolarHBondContact O-N 3.42Å; V181-R185 VanDerWaalsContact O-N 3.08Å; R185-A189 PolarHBondContact O-N 3.29Å; R185-A189 VanDerWaalsContact O-N 3.15Å; R185-D252 WeakPolarHBondContact CD-O 3.33Å; R185-D252 VanDerWaalsContact CZ-O 3.3Å; R185-D252 IonicContact CZ-OD2 3Å; R185-D252 PolarHBondContact NE-O 3.01Å; R185-D252 PolarHBondContact NH1-O 2.93Å; R185-D252 IonicContact NH1-OD2 2.71Å; R185-D252 PolarHBondContact NH1-OD2 3.3Å; R185-D252 IonicContact NH2-OD1 3.18Å; R185-D252 IonicContact NH2-OD2 3.88Å; R185-D252 PolarHBondContact NH2-OD2 3.08Å; R185-S254 PolarHBondContact NE-O 2.87Å; R185-S254 PolarHBondContact NH2-O 2.7Å; R185-S254 PolarHBondContact NH2-OG 3.13Å; R185-L256 HydrophobicContact CB-CD1 3.99Å; R185-L256 HydrophobicContact CB-CG 4.17Å |
| 186 | K | 98.8 | Very high | 98 | Very high | 111 Ų | 111 | 25.3 Ų | 25.3 | 48% | 0.483 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.4 | -178.2 | 176.2 | 179.4 | 178 | 0 | 111.6 | F170 P182 T183 L184 A189 I190 | F170-K186 HydrophobicContact CE2-CD 4.47Å; F170-K186 HydrophobicContact CZ-CD 4.29Å; P182-K186 WeakPolarHBondContact O-CB 2.92Å; P182-K186 PolarHBondContact O-N 3.12Å; P182-K186 VanDerWaalsContact O-N 3.11Å; T183-K186 PolarHBondContact O-N 2.74Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 2.77Å; K186-A189 PolarHBondContact O-N 3.28Å; K186-I190 HydrophobicContact CD-CD1 4.45Å; K186-I190 HydrophobicContact CG-CD1 3.75Å; K186-I190 HydrophobicContact CG-CG1 4.45Å; K186-I190 WeakPolarHBondContact O-CB 3.23Å; K186-I190 VanDerWaalsContact O-CG1 3.27Å; K186-I190 WeakPolarHBondContact O-CG1 3Å; K186-I190 PolarHBondContact O-N 3.2Å |
| 187 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F170 T183 L184 I190 A191 V199 I201 | F170-A187 HydrophobicContact CD1-CB 3.82Å; F170-A187 HydrophobicContact CE1-CB 4.04Å; T183-A187 WeakPolarHBondContact O-CB 3.26Å; T183-A187 PolarHBondContact O-N 2.73Å; L184-A187 PolarHBondContact O-N 2.86Å; A187-I190 PolarHBondContact O-N 2.88Å; A187-A191 WeakPolarHBondContact O-CB 3.3Å; A187-A191 PolarHBondContact O-N 2.76Å; A187-V199 HydrophobicContact CB-CB 4.45Å; A187-V199 HydrophobicContact CB-CG2 4.02Å; A187-I201 HydrophobicContact CB-CD1 3.6Å; A187-I201 HydrophobicContact CB-CG1 3.98Å |
| 188 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 178.7 | -71.1 | 165.7 | 0 | 0 | 0 | 111.8 | V56 H60 V110 L139 L184 I190 A191 Q192 | V56-L188 HydrophobicContact CG1-CD1 3.93Å; H60-L188 HydrophobicContact CB-CD1 4.07Å; H60-L188 VanDerWaalsContact CD2-CD1 3.43Å; H60-L188 WeakPolarHBondContact CD2-CD1 3.47Å; V110-L188 HydrophobicContact CB-CD2 4.04Å; V110-L188 HydrophobicContact CG1-CD2 3.87Å; V110-L188 HydrophobicContact CG2-CD2 3.92Å; L139-L188 HydrophobicContact CB-CD2 4.42Å; L139-L188 HydrophobicContact CD2-CD2 3.74Å; L139-L188 HydrophobicContact CD2-CG 4.23Å; L184-L188 WeakPolarHBondContact O-CB 3.19Å; L184-L188 WeakPolarHBondContact O-CG 3.34Å; L184-L188 PolarHBondContact O-N 2.64Å; L188-I190 PolarHBondContact O-N 3Å; L188-A191 WeakPolarHBondContact O-CB 3.4Å; L188-A191 PolarHBondContact O-N 3.29Å; L188-Q192 PolarHBondContact O-N 3.28Å |
| 189 | A | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R185 K186 Q192 S193 L256 | R185-A189 PolarHBondContact O-N 3.29Å; R185-A189 VanDerWaalsContact O-N 3.15Å; K186-A189 PolarHBondContact O-N 3.28Å; A189-Q192 PolarHBondContact O-N 3.04Å; A189-S193 VanDerWaalsContact O-CB 3.24Å; A189-S193 WeakPolarHBondContact O-CB 3.24Å; A189-S193 PolarHBondContact O-N 2.66Å; A189-S193 PolarHBondContact O-OG 3.22Å; A189-L256 HydrophobicContact CB-CB 3.85Å; A189-L256 HydrophobicContact CB-CD1 4.47Å |
| 190 | I | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 20.6 Ų | 20.6 | 24% | 0.241 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 174.8 | -68.7 | 168.7 | 0 | 0 | 0 | 111 | K169 F170 K186 A187 L188 Q192 S193 V199 | K169-I190 HydrophobicContact CB-CG2 3.85Å; K169-I190 WeakPolarHBondContact CE-O 3.19Å; K169-I190 PolarHBondContact NZ-O 3.05Å; F170-I190 HydrophobicContact CB-CB 4.41Å; F170-I190 HydrophobicContact CB-CD1 3.95Å; F170-I190 HydrophobicContact CB-CG2 3.93Å; F170-I190 HydrophobicContact CD1-CD1 4.43Å; F170-I190 HydrophobicContact CD2-CD1 3.86Å; F170-I190 HydrophobicContact CE2-CD1 4.48Å; F170-I190 HydrophobicContact CG-CD1 3.83Å; K186-I190 HydrophobicContact CD-CD1 4.45Å; K186-I190 HydrophobicContact CG-CD1 3.75Å; K186-I190 HydrophobicContact CG-CG1 4.45Å; K186-I190 WeakPolarHBondContact O-CB 3.23Å; K186-I190 VanDerWaalsContact O-CG1 3.27Å; K186-I190 WeakPolarHBondContact O-CG1 3Å; K186-I190 PolarHBondContact O-N 3.2Å; A187-I190 PolarHBondContact O-N 2.88Å; L188-I190 PolarHBondContact O-N 3Å; I190-Q192 PolarHBondContact O-N 2.88Å; I190-S193 PolarHBondContact O-N 2.96Å; I190-V199 HydrophobicContact CB-CG1 4.5Å; I190-V199 HydrophobicContact CG2-CG1 4.18Å |
| 191 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.1 | -37.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P137 A187 L188 P196 G197 V199 | P137-A191 HydrophobicContact CB-CB 4.36Å; A187-A191 WeakPolarHBondContact O-CB 3.3Å; A187-A191 PolarHBondContact O-N 2.76Å; L188-A191 WeakPolarHBondContact O-CB 3.4Å; L188-A191 PolarHBondContact O-N 3.29Å; A191-P196 CarbonylContact O-C 3.53Å; A191-P196 WeakPolarHBondContact O-CA 3.37Å; A191-P196 WeakPolarHBondContact O-CB 3.09Å; A191-G197 WeakPolarHBondContact CA-O 3.15Å; A191-G197 PolarHBondContact O-N 2.86Å; A191-V199 HydrophobicContact CB-CG1 3.91Å; A191-V199 HydrophobicContact CB-CG2 3.93Å |
| 192 | Q | 97.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 20.7 Ų | 20.7 | 26% | 0.257 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -90.8 | -28.3 | -177.6 | -63.2 | 177 | -51.4 | 0 | 0 | 114.6 | V110 P137 L188 A189 I190 V258 | V110-Q192 HydrophobicContact CG2-CG 3.62Å; P137-Q192 HydrophobicContact CB-CG 4.16Å; L188-Q192 PolarHBondContact O-N 3.28Å; A189-Q192 PolarHBondContact O-N 3.04Å; I190-Q192 PolarHBondContact O-N 2.88Å; Q192-V258 HydrophobicContact CB-CG1 3.86Å; Q192-V258 HydrophobicContact CB-CG2 3.93Å |
| 193 | S | 97.2 | Very high | 98.3 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 18% | 0.175 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -75.4 | 151 | -172.3 | -65.3 | 0 | 0 | 0 | 0 | 114 | K169 A189 I190 T195 V258 H259 | K169-S193 PolarHBondContact NZ-O 3.11Å; A189-S193 VanDerWaalsContact O-CB 3.24Å; A189-S193 WeakPolarHBondContact O-CB 3.24Å; A189-S193 PolarHBondContact O-N 2.66Å; A189-S193 PolarHBondContact O-OG 3.22Å; I190-S193 PolarHBondContact O-N 2.96Å; S193-T195 PolarHBondContact O-N 3.12Å; S193-V258 WeakPolarHBondContact OG-CA 3.26Å; S193-H259 CarbonylContact C-O 3.55Å; S193-H259 WeakPolarHBondContact CA-O 3.39Å; S193-H259 PolarHBondContact OG-N 3.38Å; S193-H259 VanDerWaalsContact OG-N 3.14Å |
| 194 | G | 96 | Very high | 98.3 | Very high | 20 Ų | 20 | 16.2 Ų | 16.2 | 21% | 0.206 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 65.8 | -125.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H259 R371 | G194-H259 PolarHBondContact N-O 3.06Å; G194-R371 WeakPolarHBondContact O-CD 3.18Å |
| 195 | T | 95.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 18.9 Ų | 18.9 | 11% | 0.11 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -84.9 | 122.1 | 161.9 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | E135 K169 S193 R371 N372 | E135-T195 HydrophobicContact CB-CG2 3.86Å; E135-T195 VanDerWaalsContact CD-CG2 3.43Å; E135-T195 HydrophobicContact CG-CG2 3.74Å; E135-T195 WeakPolarHBondContact OE1-CG2 2.97Å; K169-T195 WeakPolarHBondContact CE-O 3.16Å; K169-T195 PolarHBondContact NZ-O 3.14Å; S193-T195 PolarHBondContact O-N 3.12Å; T195-R371 VanDerWaalsContact OG1-C 3.29Å; T195-R371 WeakPolarHBondContact OG1-CB 3.34Å; T195-N372 HydrophobicContact CG2-CB 4.38Å; T195-N372 WeakPolarHBondContact OG1-CA 3.2Å; T195-N372 VanDerWaalsContact OG1-CB 3.28Å; T195-N372 WeakPolarHBondContact OG1-CB 3.48Å; T195-N372 PolarHBondContact OG1-N 2.85Å; T195-N372 VanDerWaalsContact OG1-N 3.14Å |
| 196 | P | 97.7 | Very high | 98.1 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 6% | 0.058 | 10% | 0.095 | C | C | . | . | trans | -63.4 | 159.6 | -178.4 | -14.6 | 27.2 | 0 | 0 | 0 | 112.2 | E135 P137 A191 L291 | E135-P196 CarbonylContact C-O 3.53Å; E135-P196 VanDerWaalsContact CA-O 3.28Å; E135-P196 WeakPolarHBondContact CA-O 3.32Å; E135-P196 CarbonylContact O-C 3.51Å; E135-P196 WeakPolarHBondContact O-CB 3.43Å; P137-P196 HydrophobicContact CB-CB 4.01Å; P137-P196 HydrophobicContact CG-CB 4.2Å; A191-P196 CarbonylContact O-C 3.53Å; A191-P196 WeakPolarHBondContact O-CA 3.37Å; A191-P196 WeakPolarHBondContact O-CB 3.09Å; P196-L291 HydrophobicContact CG-CD1 4.03Å; P196-L291 HydrophobicContact CG-CD2 4.32Å | ||
| 197 | G | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | trans | 179.2 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | S136 A191 | S136-G197 CarbonylContact O-C 3.54Å; S136-G197 WeakPolarHBondContact O-CA 3.47Å; A191-G197 WeakPolarHBondContact CA-O 3.15Å; A191-G197 PolarHBondContact O-N 2.86Å | ||
| 198 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -71.4 | 150.4 | -173.8 | 27.6 | -34.9 | 0 | 0 | 0 | 112.8 | V128 Q132 L138 L167 C168 K169 | V128-P198 HydrophobicContact CG1-CB 3.83Å; V128-P198 HydrophobicContact CG1-CG 3.9Å; Q132-P198 HydrophobicContact CB-CG 3.82Å; Q132-P198 HydrophobicContact CG-CG 4.34Å; L138-P198 HydrophobicContact CB-CB 4.25Å; L138-P198 HydrophobicContact CD2-CB 4.32Å; L138-P198 CarbonylContact O-C 3.57Å; L138-P198 WeakPolarHBondContact O-CA 3.41Å; L167-P198 VanDerWaalsContact O-CG 3.26Å; L167-P198 WeakPolarHBondContact O-CG 3.33Å; C168-P198 CarbonylContact C-O 3.48Å; C168-P198 VanDerWaalsContact CA-O 3.26Å; C168-P198 WeakPolarHBondContact CA-O 3.5Å; C168-P198 WeakPolarHBondContact CB-O 3.41Å; K169-P198 PolarHBondContact N-O 2.87Å | ||
| 199 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.3 | 171.4 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | L138 L139 L140 K169 F170 A187 I190 A191 | L138-V199 PolarHBondContact O-N 3.01Å; L139-V199 HydrophobicContact CB-CG2 4.19Å; L139-V199 HydrophobicContact CD1-CG2 3.73Å; L140-V199 PolarHBondContact N-O 3.4Å; K169-V199 HydrophobicContact CB-CG1 4.34Å; F170-V199 HydrophobicContact CB-CB 4.29Å; F170-V199 HydrophobicContact CB-CG1 3.85Å; F170-V199 WeakPolarHBondContact O-CA 3.4Å; A187-V199 HydrophobicContact CB-CB 4.45Å; A187-V199 HydrophobicContact CB-CG2 4.02Å; I190-V199 HydrophobicContact CB-CG1 4.5Å; I190-V199 HydrophobicContact CG2-CG1 4.18Å; A191-V199 HydrophobicContact CB-CG1 3.91Å; A191-V199 HydrophobicContact CB-CG2 3.93Å |
| 200 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.1 | -176.8 | 171.1 | -126.5 | 0 | 0 | 0 | 111.1 | L121 L140 Q160 M161 F164 C168 F170 C171 A172 E202 | L121-F200 HydrophobicContact CD1-CD2 4.27Å; L121-F200 HydrophobicContact CD1-CE2 3.57Å; L121-F200 HydrophobicContact CD1-CZ 3.95Å; L121-F200 HydrophobicContact CD2-CE1 4.19Å; L121-F200 HydrophobicContact CD2-CE2 4.06Å; L121-F200 HydrophobicContact CD2-CZ 3.53Å; L121-F200 HydrophobicContact CG-CE2 4.49Å; L121-F200 HydrophobicContact CG-CZ 4.41Å; L140-F200 HydrophobicContact CB-CD2 4.2Å; L140-F200 HydrophobicContact CD2-CD2 4.02Å; L140-F200 HydrophobicContact CD2-CE2 4.5Å; L140-F200 HydrophobicContact CG-CD2 4.03Å; L140-F200 WeakPolarHBondContact O-CA 3.46Å; L140-F200 WeakPolarHBondContact O-CD2 3.29Å; Q160-F200 HydrophobicContact CB-CE1 4.2Å; Q160-F200 HydrophobicContact CB-CZ 4.25Å; M161-F200 HydrophobicContact CE-CD1 3.81Å; M161-F200 HydrophobicContact CE-CE1 3.28Å; M161-F200 HydrophobicContact CE-CZ 4.11Å; M161-F200 HydrophobicContact SD-CE1 4.4Å; F164-F200 HydrophobicContact CB-CB 4.22Å; F164-F200 HydrophobicContact CB-CD1 3.57Å; F164-F200 HydrophobicContact CB-CE1 4.18Å; F164-F200 HydrophobicContact CB-CG 4.06Å; F164-F200 HydrophobicContact CD1-CB 4.4Å; F164-F200 HydrophobicContact CD1-CG 4.3Å; F164-F200 HydrophobicContact CD2-CD1 4.48Å; F164-F200 HydrophobicContact CD2-CE1 4.39Å; F164-F200 AromaticContact CG-CD1 3.94Å; F164-F200 HydrophobicContact CG-CD1 3.94Å; F164-F200 HydrophobicContact CG-CE1 4.3Å; F164-F200 HydrophobicContact CG-CG 4.17Å; C168-F200 HydrophobicContact CB-CB 4.46Å; F170-F200 PolarHBondContact O-N 3.06Å; C171-F200 VanDerWaalsContact CA-O 3.23Å; C171-F200 WeakPolarHBondContact CA-O 3.12Å; A172-F200 PolarHBondContact N-O 3.37Å; A172-F200 VanDerWaalsContact N-O 3.09Å; F200-E202 HydrophobicContact CE1-CB 4.21Å; F200-E202 HydrophobicContact CZ-CB 3.91Å |
| 201 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.9 | 175.2 | -47.1 | -62.5 | 0 | 0 | 0 | 108.8 | L139 L140 L141 G142 F170 A172 I174 T183 L184 A187 F203 | L139-I201 HydrophobicContact CD1-CG1 3.79Å; L140-I201 PolarHBondContact O-N 2.97Å; L141-I201 HydrophobicContact CD2-CB 4.4Å; G142-I201 PolarHBondContact N-O 3.13Å; F170-I201 HydrophobicContact CD1-CD1 3.85Å; F170-I201 HydrophobicContact CE1-CD1 3.65Å; A172-I201 HydrophobicContact CB-CD1 4.01Å; A172-I201 WeakPolarHBondContact O-CA 3.28Å; I174-I201 HydrophobicContact CD1-CG2 4.07Å; I174-I201 HydrophobicContact CG1-CG2 4.03Å; T183-I201 HydrophobicContact CG2-CD1 4Å; T183-I201 HydrophobicContact CG2-CG2 4.24Å; L184-I201 HydrophobicContact CD2-CB 4.48Å; L184-I201 HydrophobicContact CD2-CG1 4.12Å; A187-I201 HydrophobicContact CB-CD1 3.6Å; A187-I201 HydrophobicContact CB-CG1 3.98Å; I201-F203 HydrophobicContact CB-CE2 3.75Å; I201-F203 HydrophobicContact CB-CZ 4.29Å; I201-F203 HydrophobicContact CG2-CD2 4.2Å; I201-F203 HydrophobicContact CG2-CE1 4.48Å; I201-F203 HydrophobicContact CG2-CE2 3.44Å; I201-F203 VanDerWaalsContact CG2-CE2 3.44Å; I201-F203 HydrophobicContact CG2-CZ 3.62Å; I201-F203 WeakPolarHBondContact O-CD2 3.2Å |
| 202 | E | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.8 | 176.3 | 176.3 | -176.6 | -91.7 | 0 | 0 | 110.8 | G142 A144 Q150 Q160 M161 A172 S173 I174 F200 | G142-E202 CarbonylContact O-C 3.59Å; G142-E202 WeakPolarHBondContact O-CA 3.38Å; A144-E202 HydrophobicContact CB-CG 3.41Å; A144-E202 VanDerWaalsContact CB-CG 3.41Å; Q150-E202 PolarHBondContact NE2-OE2 2.85Å; Q160-E202 WeakPolarHBondContact CB-OE1 3.43Å; Q160-E202 PolarHBondContact NE2-OE1 3.26Å; M161-E202 HydrophobicContact CE-CB 3.21Å; M161-E202 HydrophobicContact CE-CG 4.08Å; A172-E202 PolarHBondContact O-N 3.2Å; S173-E202 WeakPolarHBondContact CB-OE2 3.5Å; S173-E202 PolarHBondContact OG-OE2 3.18Å; I174-E202 PolarHBondContact N-O 2.58Å; F200-E202 HydrophobicContact CE1-CB 4.21Å; F200-E202 HydrophobicContact CZ-CB 3.91Å |
| 203 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 98.8 | 179.2 | -67.9 | -92.7 | 0 | 0 | 0 | 110.6 | V53 I76 L141 G142 G143 A144 I174 I180 L184 I201 I205 L208 | V53-F203 HydrophobicContact CG2-CD1 4.41Å; V53-F203 HydrophobicContact CG2-CE1 3.63Å; V53-F203 HydrophobicContact CG2-CZ 3.94Å; I76-F203 HydrophobicContact CD1-CD2 4.22Å; I76-F203 HydrophobicContact CD1-CG 4.31Å; L141-F203 HydrophobicContact CB-CE2 4.29Å; L141-F203 HydrophobicContact CD2-CE2 3.58Å; L141-F203 HydrophobicContact CD2-CZ 4.16Å; L141-F203 HydrophobicContact CG-CE2 4.49Å; G142-F203 PolarHBondContact O-N 2.62Å; G143-F203 CarbonylContact C-O 3.59Å; A144-F203 PolarHBondContact N-O 2.88Å; I174-F203 HydrophobicContact CB-CD1 4.37Å; I174-F203 HydrophobicContact CG1-CD1 3.81Å; I174-F203 HydrophobicContact CG1-CE1 3.68Å; I174-F203 HydrophobicContact CG1-CG 4.47Å; I174-F203 HydrophobicContact CG1-CZ 4.22Å; I180-F203 HydrophobicContact CG1-CE1 4.16Å; I180-F203 HydrophobicContact CG2-CE1 4.21Å; L184-F203 HydrophobicContact CD1-CZ 4.27Å; L184-F203 HydrophobicContact CD2-CZ 4.13Å; L184-F203 HydrophobicContact CG-CZ 4.34Å; I201-F203 HydrophobicContact CB-CE2 3.75Å; I201-F203 HydrophobicContact CB-CZ 4.29Å; I201-F203 HydrophobicContact CG2-CD2 4.2Å; I201-F203 HydrophobicContact CG2-CE1 4.48Å; I201-F203 HydrophobicContact CG2-CE2 3.44Å; I201-F203 VanDerWaalsContact CG2-CE2 3.44Å; I201-F203 HydrophobicContact CG2-CZ 3.62Å; I201-F203 WeakPolarHBondContact O-CD2 3.2Å; F203-I205 PolarHBondContact O-N 2.73Å; F203-L208 HydrophobicContact CB-CD1 3.57Å; F203-L208 HydrophobicContact CB-CD2 4.3Å; F203-L208 HydrophobicContact CB-CG 3.89Å; F203-L208 HydrophobicContact CD1-CD2 3.75Å; F203-L208 HydrophobicContact CD1-CG 4.2Å; F203-L208 HydrophobicContact CE1-CD2 4.44Å; F203-L208 HydrophobicContact CG-CD1 4.25Å; F203-L208 HydrophobicContact CG-CD2 4.26Å; F203-L208 HydrophobicContact CG-CG 4.38Å |
| 204 | P | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 136.1 | 164.8 | -27.9 | 38.8 | 0 | 0 | 0 | 111.1 | A144 A145 T147 I174 D206 T207 | A144-P204 WeakPolarHBondContact O-CA 3.4Å; A145-P204 WeakPolarHBondContact O-CB 3.37Å; T147-P204 HydrophobicContact CG2-CB 3.72Å; T147-P204 HydrophobicContact CG2-CG 3.87Å; I174-P204 VanDerWaalsContact O-CD 3.23Å; I174-P204 WeakPolarHBondContact O-CD 3.25Å; I174-P204 WeakPolarHBondContact O-CG 3.41Å; P204-D206 WeakPolarHBondContact CB-OD1 3.23Å; P204-D206 PolarHBondContact O-N 2.86Å; P204-D206 VanDerWaalsContact O-N 3.08Å; P204-T207 HydrophobicContact CB-CG2 4.16Å; P204-T207 HydrophobicContact CG-CG2 4.46Å; P204-T207 WeakPolarHBondContact O-CB 3.38Å; P204-T207 PolarHBondContact O-N 2.95Å; P204-T207 PolarHBondContact O-OG1 3.12Å |
| 205 | I | 96.8 | Very high | 97 | Very high | 56 Ų | 56 | 19.2 Ų | 19.2 | 29% | 0.287 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -55.3 | -32.7 | -173.8 | 61.1 | 179.9 | 0 | 0 | 0 | 114 | H72 A144 F203 T207 L208 Y209 | H72-I205 HydrophobicContact CB-CG2 3.92Å; H72-I205 WeakPolarHBondContact CD2-CG2 3.38Å; A144-I205 VanDerWaalsContact O-CG2 3.3Å; A144-I205 WeakPolarHBondContact O-CG2 3.37Å; A144-I205 PolarHBondContact O-N 3.34Å; F203-I205 PolarHBondContact O-N 2.73Å; I205-T207 PolarHBondContact O-N 2.95Å; I205-L208 PolarHBondContact O-N 3Å; I205-Y209 HydrophobicContact CB-CD2 4.24Å; I205-Y209 HydrophobicContact CB-CE2 4.47Å; I205-Y209 WeakPolarHBondContact O-CD2 3.32Å; I205-Y209 PolarHBondContact O-N 3.41Å |
| 206 | D | 96.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.1 | -15.9 | 179.9 | 56.2 | -25 | 0 | 0 | 0 | 113 | S146 T147 P204 V214 F218 L243 | S146-D206 VanDerWaalsContact CA-OD1 3.27Å; S146-D206 WeakPolarHBondContact CA-OD1 3.46Å; T147-D206 WeakPolarHBondContact CB-OD2 3.23Å; T147-D206 VanDerWaalsContact N-CG 3.33Å; T147-D206 PolarHBondContact N-OD1 3.43Å; T147-D206 PolarHBondContact N-OD2 3.26Å; T147-D206 PolarHBondContact OG1-OD2 2.86Å; P204-D206 WeakPolarHBondContact CB-OD1 3.23Å; P204-D206 PolarHBondContact O-N 2.86Å; P204-D206 VanDerWaalsContact O-N 3.08Å; D206-V214 HydrophobicContact CB-CG1 3.69Å; D206-V214 HydrophobicContact CB-CG2 4.29Å; D206-F218 HydrophobicContact CB-CE2 4.24Å; D206-L243 HydrophobicContact CB-CD2 3.92Å; D206-L243 WeakPolarHBondContact O-CD2 3.49Å |
| 207 | T | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -85.5 | -15.8 | 170.3 | 71 | 0 | 0 | 0 | 0 | 113 | G49 I174 P204 I205 L243 | G49-T207 WeakPolarHBondContact CA-O 3.49Å; I174-T207 HydrophobicContact CB-CG2 4.44Å; I174-T207 HydrophobicContact CG2-CG2 3.89Å; P204-T207 HydrophobicContact CB-CG2 4.16Å; P204-T207 HydrophobicContact CG-CG2 4.46Å; P204-T207 WeakPolarHBondContact O-CB 3.38Å; P204-T207 PolarHBondContact O-N 2.95Å; P204-T207 PolarHBondContact O-OG1 3.12Å; I205-T207 PolarHBondContact O-N 2.95Å; T207-L243 HydrophobicContact CG2-CD1 3.87Å |
| 208 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -106.4 | -32 | -173.7 | -73.5 | 179.5 | 0 | 0 | 0 | 113.9 | H48 G49 V53 H72 P75 I76 F203 I205 | H48-L208 VanDerWaalsContact CB-O 3.25Å; H48-L208 WeakPolarHBondContact CB-O 3.47Å; G49-L208 PolarHBondContact N-O 2.94Å; G49-L208 VanDerWaalsContact N-O 3.13Å; V53-L208 HydrophobicContact CG2-CD2 4.32Å; H72-L208 VanDerWaalsContact O-CD1 3.25Å; H72-L208 WeakPolarHBondContact O-CD1 3.14Å; P75-L208 HydrophobicContact CB-CB 4.14Å; P75-L208 VanDerWaalsContact CB-O 3.32Å; P75-L208 WeakPolarHBondContact CB-O 3.35Å; P75-L208 HydrophobicContact CG-CB 4Å; I76-L208 HydrophobicContact CD1-CD1 3.86Å; I76-L208 HydrophobicContact CD1-CD2 4.04Å; I76-L208 HydrophobicContact CG1-CD1 3.99Å; I76-L208 HydrophobicContact CG1-CD2 3.71Å; F203-L208 HydrophobicContact CB-CD1 3.57Å; F203-L208 HydrophobicContact CB-CD2 4.3Å; F203-L208 HydrophobicContact CB-CG 3.89Å; F203-L208 HydrophobicContact CD1-CD2 3.75Å; F203-L208 HydrophobicContact CD1-CG 4.2Å; F203-L208 HydrophobicContact CE1-CD2 4.44Å; F203-L208 HydrophobicContact CG-CD1 4.25Å; F203-L208 HydrophobicContact CG-CD2 4.26Å; F203-L208 HydrophobicContact CG-CG 4.38Å; I205-L208 PolarHBondContact O-N 3Å |
| 209 | Y | 97.5 | Very high | 94.3 | Very high | 67 Ų | 67 | 36.5 Ų | 36.5 | 26% | 0.263 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -87.1 | 155.8 | -178.4 | -81.9 | -97.3 | 0 | 0 | 0 | 112.3 | G71 P75 I205 L213 F244 | G71-Y209 WeakPolarHBondContact O-CE2 3.45Å; G71-Y209 PolarHBondContact O-OH 3.46Å; P75-Y209 HydrophobicContact CG-CD1 4.19Å; P75-Y209 HydrophobicContact CG-CD2 3.65Å; P75-Y209 HydrophobicContact CG-CE1 4.07Å; P75-Y209 HydrophobicContact CG-CE2 3.53Å; P75-Y209 HydrophobicContact CG-CG 4Å; I205-Y209 HydrophobicContact CB-CD2 4.24Å; I205-Y209 HydrophobicContact CB-CE2 4.47Å; I205-Y209 WeakPolarHBondContact O-CD2 3.32Å; I205-Y209 PolarHBondContact O-N 3.41Å; Y209-L213 HydrophobicContact CD1-CD1 4.02Å; Y209-F244 WeakPolarHBondContact O-CZ 3.43Å |
| 210 | P | 96.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | trans | -67.9 | 152 | -177.9 | 28.4 | -36.4 | 0 | 0 | 0 | 112.3 | H48 H212 L213 V214 | H48-P210 HydrophobicContact CB-CB 4.23Å; P210-H212 VanDerWaalsContact C-N 3.29Å; P210-H212 PolarHBondContact O-N 2.96Å; P210-H212 VanDerWaalsContact O-N 3.12Å; P210-L213 HydrophobicContact CG-CB 4.41Å; P210-L213 HydrophobicContact CG-CD1 3.83Å; P210-L213 HydrophobicContact CG-CG 4.05Å; P210-L213 PolarHBondContact O-N 2.92Å; P210-V214 PolarHBondContact O-N 2.9Å | ||
| 211 | Y | 95.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 11% | 0.106 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -47.1 | -47.7 | -174.7 | 176 | -83.2 | 0 | 0 | 0 | 113.4 | T41 T43 L213 V214 S215 L240 M241 F244 | T41-Y211 HydrophobicContact CG2-CD2 4.21Å; T41-Y211 HydrophobicContact CG2-CE2 4.08Å; T43-Y211 HydrophobicContact CG2-CD1 4.45Å; T43-Y211 HydrophobicContact CG2-CD2 4.49Å; T43-Y211 HydrophobicContact CG2-CE1 3.88Å; T43-Y211 HydrophobicContact CG2-CE2 3.88Å; T43-Y211 WeakPolarHBondContact O-CD1 3.4Å; Y211-L213 VanDerWaalsContact C-N 3.28Å; Y211-L213 PolarHBondContact O-N 3.1Å; Y211-V214 PolarHBondContact O-N 2.98Å; Y211-S215 WeakPolarHBondContact O-CB 3.2Å; Y211-S215 PolarHBondContact O-N 3.31Å; Y211-S215 PolarHBondContact O-OG 3.47Å; Y211-L240 HydrophobicContact CD2-CD1 4.29Å; Y211-L240 HydrophobicContact CD2-CG 4.45Å; Y211-L240 HydrophobicContact CE2-CD1 4.02Å; Y211-L240 HydrophobicContact CE2-CD2 3.94Å; Y211-L240 HydrophobicContact CE2-CG 3.7Å; Y211-L240 WeakPolarHBondContact OH-CD2 3.42Å; Y211-M241 HydrophobicContact CE2-CE 3.89Å; Y211-M241 WeakPolarHBondContact OH-CE 3.37Å; Y211-F244 HydrophobicContact CD2-CB 4.27Å; Y211-F244 AromaticContact CD2-CD2 3.7Å; Y211-F244 HydrophobicContact CD2-CD2 3.7Å; Y211-F244 HydrophobicContact CD2-CE2 4.15Å; Y211-F244 AromaticContact CD2-CG 3.92Å; Y211-F244 HydrophobicContact CD2-CG 3.92Å; Y211-F244 HydrophobicContact CE2-CD2 4.49Å |
| 212 | H | 94.4 | Very high | 90.1 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.2 | -24.8 | -173.9 | 70.5 | -85.8 | 0 | 0 | 0 | 114.1 | P210 S215 K216 | P210-H212 VanDerWaalsContact C-N 3.29Å; P210-H212 PolarHBondContact O-N 2.96Å; P210-H212 VanDerWaalsContact O-N 3.12Å; H212-S215 WeakPolarHBondContact CA-OG 3.4Å; H212-S215 PolarHBondContact O-OG 3.16Å; H212-S215 VanDerWaalsContact O-OG 3.1Å; H212-K216 WeakPolarHBondContact O-CG 3.47Å |
| 213 | L | 94.3 | Very high | 88.8 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -80 | -47.9 | 173.2 | -67.7 | -179 | 0 | 0 | 0 | 109.9 | Y209 P210 Y211 S215 K216 E217 | Y209-L213 HydrophobicContact CD1-CD1 4.02Å; P210-L213 HydrophobicContact CG-CB 4.41Å; P210-L213 HydrophobicContact CG-CD1 3.83Å; P210-L213 HydrophobicContact CG-CG 4.05Å; P210-L213 PolarHBondContact O-N 2.92Å; Y211-L213 VanDerWaalsContact C-N 3.28Å; Y211-L213 PolarHBondContact O-N 3.1Å; L213-S215 VanDerWaalsContact C-N 3.3Å; L213-S215 PolarHBondContact O-N 3.02Å; L213-K216 WeakPolarHBondContact O-CB 3.35Å; L213-K216 PolarHBondContact O-N 3Å; L213-K216 VanDerWaalsContact O-N 3.12Å; L213-E217 PolarHBondContact O-N 3.23Å |
| 214 | V | 94.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | D206 P210 Y211 K216 E217 F218 L240 L243 F244 | D206-V214 HydrophobicContact CB-CG1 3.69Å; D206-V214 HydrophobicContact CB-CG2 4.29Å; P210-V214 PolarHBondContact O-N 2.9Å; Y211-V214 PolarHBondContact O-N 2.98Å; V214-K216 PolarHBondContact O-N 2.89Å; V214-E217 PolarHBondContact O-N 3Å; V214-E217 VanDerWaalsContact O-N 3.13Å; V214-F218 HydrophobicContact CG1-CD2 3.76Å; V214-F218 HydrophobicContact CG1-CE2 3.49Å; V214-F218 VanDerWaalsContact CG1-CE2 3.49Å; V214-F218 HydrophobicContact CG1-CZ 4.33Å; V214-F218 WeakPolarHBondContact O-CD2 3.26Å; V214-F218 PolarHBondContact O-N 3.2Å; V214-F218 VanDerWaalsContact O-N 3.13Å; V214-L240 HydrophobicContact CB-CD1 4.32Å; V214-L240 HydrophobicContact CG1-CD1 3.8Å; V214-L243 HydrophobicContact CG1-CD2 4Å; V214-F244 HydrophobicContact CB-CE2 4.18Å; V214-F244 HydrophobicContact CB-CZ 4.39Å; V214-F244 HydrophobicContact CG1-CE2 4.26Å; V214-F244 HydrophobicContact CG2-CE2 4.29Å; V214-F244 HydrophobicContact CG2-CZ 4.06Å |
| 215 | S | 92.8 | Very high | 86.9 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -31 | 179.4 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | Y211 H212 L213 F218 A219 | Y211-S215 WeakPolarHBondContact O-CB 3.2Å; Y211-S215 PolarHBondContact O-N 3.31Å; Y211-S215 PolarHBondContact O-OG 3.47Å; H212-S215 WeakPolarHBondContact CA-OG 3.4Å; H212-S215 PolarHBondContact O-OG 3.16Å; H212-S215 VanDerWaalsContact O-OG 3.1Å; L213-S215 VanDerWaalsContact C-N 3.3Å; L213-S215 PolarHBondContact O-N 3.02Å; S215-F218 PolarHBondContact O-N 2.54Å; S215-A219 PolarHBondContact O-N 3.18Å |
| 216 | K | 90 | Very high | 86.4 | Confident | 140 Ų | 140 | 71.6 Ų | 71.6 | 61% | 0.609 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.5 | -38 | 178 | -74.8 | 174 | -177.2 | -178.2 | 0 | 111.7 | H212 L213 V214 F218 A219 | H212-K216 WeakPolarHBondContact O-CG 3.47Å; L213-K216 WeakPolarHBondContact O-CB 3.35Å; L213-K216 PolarHBondContact O-N 3Å; L213-K216 VanDerWaalsContact O-N 3.12Å; V214-K216 PolarHBondContact O-N 2.89Å; K216-F218 VanDerWaalsContact C-N 3.3Å; K216-A219 WeakPolarHBondContact O-CB 3.45Å; K216-A219 PolarHBondContact O-N 3.28Å |
| 217 | E | 85.4 | Confident | 85.9 | Confident | 164 Ų | 164 | 77.9 Ų | 77.9 | 77% | 0.766 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.1 | -32.3 | 175.4 | -64 | -55.4 | 132.5 | 0 | 0 | 112 | L213 V214 A219 | L213-E217 PolarHBondContact O-N 3.23Å; V214-E217 PolarHBondContact O-N 3Å; V214-E217 VanDerWaalsContact O-N 3.13Å; E217-A219 VanDerWaalsContact C-N 3.31Å |
| 218 | F | 81.1 | Confident | 85.3 | Confident | 28 Ų | 28 | 84.1 Ų | 84.1 | 12% | 0.123 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10 | 177.3 | -78.8 | -116.6 | 0 | 0 | 0 | 113.3 | L148 D206 V214 S215 K216 V220 L236 H239 L240 | L148-F218 HydrophobicContact CD1-CD1 3.77Å; L148-F218 HydrophobicContact CD1-CE1 3.22Å; L148-F218 HydrophobicContact CD1-CZ 4.02Å; L148-F218 HydrophobicContact CG-CE1 3.74Å; L148-F218 HydrophobicContact CG-CZ 4.13Å; D206-F218 HydrophobicContact CB-CE2 4.24Å; V214-F218 HydrophobicContact CG1-CD2 3.76Å; V214-F218 HydrophobicContact CG1-CE2 3.49Å; V214-F218 VanDerWaalsContact CG1-CE2 3.49Å; V214-F218 HydrophobicContact CG1-CZ 4.33Å; V214-F218 WeakPolarHBondContact O-CD2 3.26Å; V214-F218 PolarHBondContact O-N 3.2Å; V214-F218 VanDerWaalsContact O-N 3.13Å; S215-F218 PolarHBondContact O-N 2.54Å; K216-F218 VanDerWaalsContact C-N 3.3Å; F218-V220 PolarHBondContact O-N 3.42Å; F218-L236 HydrophobicContact CD1-CD2 4.49Å; F218-H239 AromaticContact CE1-CD2 3.49Å; F218-H239 VanDerWaalsContact CE1-CD2 3.49Å; F218-H239 WeakPolarHBondContact CE1-CD2 3.46Å; F218-H239 AromaticContact CZ-CD2 3.98Å; F218-L240 HydrophobicContact CD1-CB 4.49Å |
| 219 | A | 76.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | trans | -70.5 | 114.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S215 K216 E217 K221 | S215-A219 PolarHBondContact O-N 3.18Å; K216-A219 WeakPolarHBondContact O-CB 3.45Å; K216-A219 PolarHBondContact O-N 3.28Å; E217-A219 VanDerWaalsContact C-N 3.31Å; A219-K221 PolarHBondContact O-N 3.12Å; A219-K221 VanDerWaalsContact O-N 3.15Å | ||
| 220 | V | 70.6 | Confident | 84.2 | Confident | 61 Ų | 61 | 88.7 Ų | 88.7 | 37% | 0.37 | 46% | 0.461 | S | S | . | . | trans | -72.5 | 109.9 | 178.5 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | F218 N222 P223 L236 | F218-V220 PolarHBondContact O-N 3.42Å; V220-N222 PolarHBondContact O-N 3.37Å; V220-P223 HydrophobicContact CB-CB 4.32Å; V220-P223 HydrophobicContact CG1-CB 4.01Å; V220-L236 HydrophobicContact CG2-CD1 3.25Å | ||
| 221 | K | 68.4 | Low | 83.8 | Confident | 198 Ų | 198 | 92.5 Ų | 92.5 | 86% | 0.861 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -63.2 | -26.7 | 179.3 | -70.5 | -177.9 | 179.8 | 174.9 | 0 | 113.3 | A219 | A219-K221 PolarHBondContact O-N 3.12Å; A219-K221 VanDerWaalsContact O-N 3.15Å |
| 222 | N | 69.1 | Low | 83.4 | Confident | 147 Ų | 147 | 94.1 Ų | 94.1 | 79% | 0.786 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -146.3 | 81.4 | 177.9 | -71.4 | -46.9 | 0 | 0 | 0 | 111.2 | V220 | V220-N222 PolarHBondContact O-N 3.37Š|
| 223 | P | 72.1 | Confident | 83.1 | Confident | 65 Ų | 65 | 92.4 Ų | 92.4 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -68 | 143.7 | -179.1 | 26.8 | -32.1 | 0 | 0 | 0 | 111.2 | V220 | V220-P223 HydrophobicContact CB-CB 4.32Å; V220-P223 HydrophobicContact CG1-CB 4.01Å |
| 224 | P | 74 | Confident | 82.9 | Confident | 70 Ų | 70 | 95.3 Ų | 95.3 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -57 | 143.2 | 175.1 | 17 | -24.3 | 0 | 0 | 0 | 110.3 | G229 | P224-G229 WeakPolarHBondContact O-CA 3.19Å; P224-G229 PolarHBondContact O-N 3.43Å |
| 225 | K | 81.9 | Confident | 82.8 | Confident | 207 Ų | 207 | 99.5 Ų | 99.5 | 90% | 0.9 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -73.1 | 155.7 | -178.8 | -66.7 | -176.8 | -179.6 | 178.5 | 0 | 111.3 | ||
| 226 | G | 87.3 | Confident | 82.7 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 83.8 | -157.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M228 G229 K230 | G226-M228 VanDerWaalsContact C-N 3.35Å; G226-M228 PolarHBondContact O-N 3.39Å; G226-G229 PolarHBondContact O-N 3.44Å; G226-K230 PolarHBondContact O-N 2.87Å |
| 227 | L | 86.4 | Confident | 82.8 | Confident | 135 Ų | 135 | 96.8 Ų | 96.8 | 71% | 0.707 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | -174 | -169.3 | 75.4 | 0 | 0 | 0 | 112.5 | G229 K230 L231 | L227-G229 VanDerWaalsContact C-N 3.33Å; L227-G229 PolarHBondContact O-N 3.49Å; L227-K230 PolarHBondContact O-N 3.36Å; L227-L231 HydrophobicContact CG-CD1 4.42Å; L227-L231 WeakPolarHBondContact O-CG 3.07Å; L227-L231 PolarHBondContact O-N 3.05Å |
| 228 | M | 83.9 | Confident | 83.1 | Confident | 132 Ų | 132 | 89.5 Ų | 89.5 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.4 | -38.6 | 178.6 | -72 | -59.2 | -169.8 | 0 | 0 | 112.4 | G226 K230 L231 V232 | G226-M228 VanDerWaalsContact C-N 3.35Å; G226-M228 PolarHBondContact O-N 3.39Å; M228-K230 PolarHBondContact O-N 2.9Å; M228-L231 PolarHBondContact O-N 3Å; M228-L231 HydrophobicContact SD-CD1 4.19Å; M228-V232 WeakPolarHBondContact O-CG2 3.49Å; M228-V232 PolarHBondContact O-N 3.28Å |
| 229 | G | 86.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 89.9 Ų | 89.9 | 4% | 0.041 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | P224 G226 L227 S233 | P224-G229 WeakPolarHBondContact O-CA 3.19Å; P224-G229 PolarHBondContact O-N 3.43Å; G226-G229 PolarHBondContact O-N 3.44Å; L227-G229 VanDerWaalsContact C-N 3.33Å; L227-G229 PolarHBondContact O-N 3.49Å; G229-S233 WeakPolarHBondContact O-CB 3.43Å; G229-S233 PolarHBondContact O-N 2.76Å; G229-S233 PolarHBondContact O-OG 2.82Å |
| 230 | K | 86.6 | Confident | 84.6 | Confident | 158 Ų | 158 | 87.3 Ų | 87.3 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 177.6 | -67.3 | -178.1 | 178.2 | -179 | 0 | 111 | G226 L227 M228 S233 W234 | G226-K230 PolarHBondContact O-N 2.87Å; L227-K230 PolarHBondContact O-N 3.36Å; M228-K230 PolarHBondContact O-N 2.9Å; K230-S233 PolarHBondContact O-N 3.35Å; K230-W234 VanDerWaalsContact O-CB 3.26Å; K230-W234 WeakPolarHBondContact O-CB 3.23Å; K230-W234 PolarHBondContact O-N 3.34Å |
| 231 | L | 88.9 | Confident | 85.7 | Confident | 94 Ų | 94 | 86 Ų | 86 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.7 | -71.1 | 172.8 | 0 | 0 | 0 | 112.4 | L227 M228 W234 Y235 | L227-L231 HydrophobicContact CG-CD1 4.42Å; L227-L231 WeakPolarHBondContact O-CG 3.07Å; L227-L231 PolarHBondContact O-N 3.05Å; M228-L231 PolarHBondContact O-N 3Å; M228-L231 HydrophobicContact SD-CD1 4.19Å; L231-W234 PolarHBondContact O-N 3.24Å; L231-Y235 WeakPolarHBondContact O-CB 3.45Å; L231-Y235 PolarHBondContact O-N 3.07Å |
| 232 | V | 87.6 | Confident | 87 | Confident | 61 Ų | 61 | 77.5 Ų | 77.5 | 37% | 0.37 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | M228 W234 Y235 L236 | M228-V232 WeakPolarHBondContact O-CG2 3.49Å; M228-V232 PolarHBondContact O-N 3.28Å; V232-W234 VanDerWaalsContact C-N 3.33Å; V232-W234 PolarHBondContact O-N 3.37Å; V232-Y235 PolarHBondContact O-N 2.87Å; V232-L236 HydrophobicContact CG1-CD1 3.94Å; V232-L236 HydrophobicContact CG1-CG 4.36Å; V232-L236 WeakPolarHBondContact O-CG 3.43Å; V232-L236 PolarHBondContact O-N 2.84Å |
| 233 | S | 88.3 | Confident | 88.3 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | G229 K230 N237 | G229-S233 WeakPolarHBondContact O-CB 3.43Å; G229-S233 PolarHBondContact O-N 2.76Å; G229-S233 PolarHBondContact O-OG 2.82Å; K230-S233 PolarHBondContact O-N 3.35Å; S233-N237 VanDerWaalsContact O-CB 3.28Å; S233-N237 WeakPolarHBondContact O-CB 3.45Å; S233-N237 PolarHBondContact O-N 3.37Å |
| 234 | W | 90.5 | Very high | 89.5 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.2 | 176.6 | 86.7 | 0 | 0 | 0 | 111.6 | L31 V33 K230 L231 V232 N237 N238 | L31-W234 HydrophobicContact CD1-CH2 4.15Å; L31-W234 HydrophobicContact CD1-CZ3 4.35Å; V33-W234 HydrophobicContact CG2-CH2 4.36Å; V33-W234 HydrophobicContact CG2-CZ2 4.3Å; K230-W234 VanDerWaalsContact O-CB 3.26Å; K230-W234 WeakPolarHBondContact O-CB 3.23Å; K230-W234 PolarHBondContact O-N 3.34Å; L231-W234 PolarHBondContact O-N 3.24Å; V232-W234 VanDerWaalsContact C-N 3.33Å; V232-W234 PolarHBondContact O-N 3.37Å; W234-N237 PolarHBondContact O-N 3.05Å; W234-N238 HydrophobicContact CZ2-CB 4.4Å; W234-N238 VanDerWaalsContact O-CB 3.24Å; W234-N238 WeakPolarHBondContact O-CB 3.33Å; W234-N238 PolarHBondContact O-N 2.95Å |
| 235 | Y | 90.9 | Very high | 90.6 | Very high | 95 Ų | 95 | 64.2 Ų | 64.2 | 37% | 0.373 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 179.4 | 172.3 | -97.2 | 0 | 0 | 0 | 111.9 | L31 L148 L231 V232 N237 N238 H239 | L31-Y235 HydrophobicContact CD2-CD2 4.2Å; L31-Y235 HydrophobicContact CD2-CE2 3.89Å; L148-Y235 HydrophobicContact CD2-CE1 4.12Å; L231-Y235 WeakPolarHBondContact O-CB 3.45Å; L231-Y235 PolarHBondContact O-N 3.07Å; V232-Y235 PolarHBondContact O-N 2.87Å; Y235-N237 PolarHBondContact O-N 3.23Å; Y235-N238 PolarHBondContact O-N 3.2Å; Y235-H239 WeakPolarHBondContact O-CB 3.42Å; Y235-H239 PolarHBondContact O-N 2.73Å |
| 236 | L | 91.4 | Very high | 91.2 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 178.8 | -67.6 | 175 | 0 | 0 | 0 | 111.7 | L148 F218 V220 V232 H239 L240 | L148-L236 HydrophobicContact CD1-CD2 3.32Å; F218-L236 HydrophobicContact CD1-CD2 4.49Å; V220-L236 HydrophobicContact CG2-CD1 3.25Å; V232-L236 HydrophobicContact CG1-CD1 3.94Å; V232-L236 HydrophobicContact CG1-CG 4.36Å; V232-L236 WeakPolarHBondContact O-CG 3.43Å; V232-L236 PolarHBondContact O-N 2.84Å; L236-H239 PolarHBondContact O-N 2.71Å; L236-L240 WeakPolarHBondContact O-CB 3.17Å; L236-L240 PolarHBondContact O-N 3.11Å |
| 237 | N | 91.2 | Very high | 91.6 | Very high | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 176.2 | -175.6 | 70.8 | 0 | 0 | 0 | 111.5 | S233 W234 Y235 H239 L240 M241 | S233-N237 VanDerWaalsContact O-CB 3.28Å; S233-N237 WeakPolarHBondContact O-CB 3.45Å; S233-N237 PolarHBondContact O-N 3.37Å; W234-N237 PolarHBondContact O-N 3.05Å; Y235-N237 PolarHBondContact O-N 3.23Å; N237-H239 PolarHBondContact O-N 2.96Å; N237-L240 PolarHBondContact O-N 3.39Å; N237-M241 WeakPolarHBondContact O-CB 3.31Å; N237-M241 VanDerWaalsContact O-CG 3.24Å; N237-M241 WeakPolarHBondContact O-CG 3.46Å; N237-M241 PolarHBondContact O-N 2.85Å |
| 238 | N | 93.3 | Very high | 92 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.2 | 175.2 | 75.8 | 0 | 0 | 0 | 111.7 | L31 Q36 W234 Y235 M241 N242 | L31-N238 PolarHBondContact O-ND2 3.23Å; Q36-N238 PolarHBondContact NE2-OD1 2.96Å; W234-N238 HydrophobicContact CZ2-CB 4.4Å; W234-N238 VanDerWaalsContact O-CB 3.24Å; W234-N238 WeakPolarHBondContact O-CB 3.33Å; W234-N238 PolarHBondContact O-N 2.95Å; Y235-N238 PolarHBondContact O-N 3.2Å; N238-M241 PolarHBondContact O-N 3.04Å; N238-N242 VanDerWaalsContact O-CB 3.31Å; N238-N242 WeakPolarHBondContact O-CB 3.24Å; N238-N242 PolarHBondContact O-N 3.2Å |
| 239 | H | 93.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 175.6 | -176.7 | 92 | 0 | 0 | 0 | 111.2 | T147 F218 Y235 L236 N237 M241 N242 L243 | T147-H239 PolarHBondContact OG1-CE1 3.36Å; T147-H239 PolarHBondContact OG1-NE2 2.86Å; F218-H239 AromaticContact CE1-CD2 3.49Å; F218-H239 VanDerWaalsContact CE1-CD2 3.49Å; F218-H239 WeakPolarHBondContact CE1-CD2 3.46Å; F218-H239 AromaticContact CZ-CD2 3.98Å; Y235-H239 WeakPolarHBondContact O-CB 3.42Å; Y235-H239 PolarHBondContact O-N 2.73Å; L236-H239 PolarHBondContact O-N 2.71Å; N237-H239 PolarHBondContact O-N 2.96Å; H239-M241 VanDerWaalsContact C-N 3.35Å; H239-M241 PolarHBondContact O-N 2.56Å; H239-N242 PolarHBondContact O-N 3.1Å; H239-L243 VanDerWaalsContact O-CB 3.29Å; H239-L243 WeakPolarHBondContact O-CB 3.49Å; H239-L243 PolarHBondContact O-N 2.76Å |
| 240 | L | 94.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.8 | 176.8 | 65.1 | 0 | 0 | 0 | 112.2 | Y211 V214 F218 L236 N237 L243 F244 | Y211-L240 HydrophobicContact CD2-CD1 4.29Å; Y211-L240 HydrophobicContact CD2-CG 4.45Å; Y211-L240 HydrophobicContact CE2-CD1 4.02Å; Y211-L240 HydrophobicContact CE2-CD2 3.94Å; Y211-L240 HydrophobicContact CE2-CG 3.7Å; Y211-L240 WeakPolarHBondContact OH-CD2 3.42Å; V214-L240 HydrophobicContact CB-CD1 4.32Å; V214-L240 HydrophobicContact CG1-CD1 3.8Å; F218-L240 HydrophobicContact CD1-CB 4.49Å; L236-L240 WeakPolarHBondContact O-CB 3.17Å; L236-L240 PolarHBondContact O-N 3.11Å; N237-L240 PolarHBondContact O-N 3.39Å; L240-L243 WeakPolarHBondContact O-CB 3.43Å; L240-L243 PolarHBondContact O-N 2.83Å; L240-F244 HydrophobicContact CD1-CD2 4.21Å; L240-F244 HydrophobicContact CD1-CE2 4.12Å |
| 241 | M | 94.4 | Very high | 93.2 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 176.8 | -71 | -61.1 | 134.5 | 0 | 0 | 111.3 | T41 T43 Y211 N237 N238 H239 L243 F244 A245 | T41-M241 HydrophobicContact CG2-SD 3.86Å; T41-M241 PolarHBondContact OG1-O 2.99Å; T43-M241 HydrophobicContact CG2-CE 4.04Å; T43-M241 HydrophobicContact CG2-SD 4.3Å; Y211-M241 HydrophobicContact CE2-CE 3.89Å; Y211-M241 WeakPolarHBondContact OH-CE 3.37Å; N237-M241 WeakPolarHBondContact O-CB 3.31Å; N237-M241 VanDerWaalsContact O-CG 3.24Å; N237-M241 WeakPolarHBondContact O-CG 3.46Å; N237-M241 PolarHBondContact O-N 2.85Å; N238-M241 PolarHBondContact O-N 3.04Å; H239-M241 VanDerWaalsContact C-N 3.35Å; H239-M241 PolarHBondContact O-N 2.56Å; M241-L243 VanDerWaalsContact C-N 3.32Å; M241-L243 PolarHBondContact O-N 3.32Å; M241-F244 PolarHBondContact O-N 2.88Å; M241-A245 WeakPolarHBondContact O-CB 3.4Å; M241-A245 PolarHBondContact O-N 2.81Å |
| 242 | N | 95.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 177.7 | -178.3 | 43.5 | 0 | 0 | 0 | 112.5 | R178 N238 H239 F244 A245 | R178-N242 PolarHBondContact NH1-O 3.39Å; R178-N242 PolarHBondContact NH1-OD1 3.29Å; R178-N242 PolarHBondContact NH2-OD1 2.91Å; N238-N242 VanDerWaalsContact O-CB 3.31Å; N238-N242 WeakPolarHBondContact O-CB 3.24Å; N238-N242 PolarHBondContact O-N 3.2Å; H239-N242 PolarHBondContact O-N 3.1Å; N242-F244 PolarHBondContact O-N 3.31Å; N242-A245 PolarHBondContact O-N 2.75Å |
| 243 | L | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55 | -38.8 | 177.8 | 177.4 | 64.3 | 0 | 0 | 0 | 111.8 | R175 V177 D206 T207 V214 H239 L240 M241 | R175-L243 WeakPolarHBondContact O-CD1 3.17Å; V177-L243 WeakPolarHBondContact CG2-O 3.25Å; V177-L243 PolarHBondContact N-O 3.48Å; D206-L243 HydrophobicContact CB-CD2 3.92Å; D206-L243 WeakPolarHBondContact O-CD2 3.49Å; T207-L243 HydrophobicContact CG2-CD1 3.87Å; V214-L243 HydrophobicContact CG1-CD2 4Å; H239-L243 VanDerWaalsContact O-CB 3.29Å; H239-L243 WeakPolarHBondContact O-CB 3.49Å; H239-L243 PolarHBondContact O-N 2.76Å; L240-L243 WeakPolarHBondContact O-CB 3.43Å; L240-L243 PolarHBondContact O-N 2.83Å; M241-L243 VanDerWaalsContact C-N 3.32Å; M241-L243 PolarHBondContact O-N 3.32Å |
| 244 | F | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -105.7 | -1.6 | -178.6 | -73.2 | -89.7 | 0 | 0 | 0 | 114.8 | T41 V177 Y209 Y211 V214 L240 M241 N242 G246 A247 W248 | T41-F244 HydrophobicContact CG2-CB 3.6Å; V177-F244 HydrophobicContact CG2-CD1 4.01Å; V177-F244 HydrophobicContact CG2-CE1 4.04Å; Y209-F244 WeakPolarHBondContact O-CZ 3.43Å; Y211-F244 HydrophobicContact CD2-CB 4.27Å; Y211-F244 AromaticContact CD2-CD2 3.7Å; Y211-F244 HydrophobicContact CD2-CD2 3.7Å; Y211-F244 HydrophobicContact CD2-CE2 4.15Å; Y211-F244 AromaticContact CD2-CG 3.92Å; Y211-F244 HydrophobicContact CD2-CG 3.92Å; Y211-F244 HydrophobicContact CE2-CD2 4.49Å; V214-F244 HydrophobicContact CB-CE2 4.18Å; V214-F244 HydrophobicContact CB-CZ 4.39Å; V214-F244 HydrophobicContact CG1-CE2 4.26Å; V214-F244 HydrophobicContact CG2-CE2 4.29Å; V214-F244 HydrophobicContact CG2-CZ 4.06Å; L240-F244 HydrophobicContact CD1-CD2 4.21Å; L240-F244 HydrophobicContact CD1-CE2 4.12Å; M241-F244 PolarHBondContact O-N 2.88Å; N242-F244 PolarHBondContact O-N 3.31Å; F244-G246 PolarHBondContact O-N 3.01Å; F244-A247 HydrophobicContact CD1-CB 4.48Å; F244-A247 WeakPolarHBondContact O-CB 3.35Å; F244-A247 PolarHBondContact O-N 3.3Å; F244-W248 HydrophobicContact CD1-CZ2 4.14Å; F244-W248 HydrophobicContact CE1-CZ2 4.3Å |
| 245 | A | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 124.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y35 Q36 T41 R178 M241 N242 A247 | Y35-A245 HydrophobicContact CD1-CB 3.83Å; Y35-A245 HydrophobicContact CE1-CB 4Å; Y35-A245 WeakPolarHBondContact CE1-O 3.35Å; Q36-A245 HydrophobicContact CG-CB 3.96Å; T41-A245 WeakPolarHBondContact OG1-CA 3.4Å; T41-A245 PolarHBondContact OG1-N 3.07Å; R178-A245 PolarHBondContact NH1-O 2.81Å; M241-A245 WeakPolarHBondContact O-CB 3.4Å; M241-A245 PolarHBondContact O-N 2.81Å; N242-A245 PolarHBondContact O-N 2.75Å; A245-A247 PolarHBondContact O-N 3.42Å |
| 246 | G | 95.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 14.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K40 F244 W248 E249 R251 | K40-G246 PolarHBondContact O-N 3.33Å; F244-G246 PolarHBondContact O-N 3.01Å; G246-W248 PolarHBondContact O-N 3.34Å; G246-W248 VanDerWaalsContact O-N 3.17Å; G246-E249 PolarHBondContact O-N 3.03Å; G246-R251 PolarHBondContact O-NH1 3.3Å; G246-R251 VanDerWaalsContact O-NH1 3.13Å; G246-R251 PolarHBondContact O-NH2 3.08Å |
| 247 | A | 95.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -41.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V177 F244 A245 R251 | V177-A247 HydrophobicContact CB-CB 3.75Å; V177-A247 HydrophobicContact CG1-CB 3.62Å; V177-A247 HydrophobicContact CG2-CB 4.49Å; F244-A247 HydrophobicContact CD1-CB 4.48Å; F244-A247 WeakPolarHBondContact O-CB 3.35Å; F244-A247 PolarHBondContact O-N 3.3Å; A245-A247 PolarHBondContact O-N 3.42Å; A247-R251 PolarHBondContact O-NH1 3.04Å |
| 248 | W | 95 | Very high | 95.8 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 6.1 | -168 | -49.7 | 136.3 | 0 | 0 | 0 | 114.5 | R47 V177 F244 G246 | R47-W248 HydrophobicContact CB-CD2 3.96Å; R47-W248 HydrophobicContact CB-CE3 4.12Å; R47-W248 HydrophobicContact CB-CH2 3.94Å; R47-W248 HydrophobicContact CB-CZ2 3.73Å; R47-W248 HydrophobicContact CB-CZ3 4.11Å; R47-W248 WeakPolarHBondContact O-CZ2 3.4Å; V177-W248 HydrophobicContact CG1-CH2 3.86Å; V177-W248 HydrophobicContact CG1-CZ3 3.78Å; F244-W248 HydrophobicContact CD1-CZ2 4.14Å; F244-W248 HydrophobicContact CE1-CZ2 4.3Å; G246-W248 PolarHBondContact O-N 3.34Å; G246-W248 VanDerWaalsContact O-N 3.17Å |
| 249 | E | 94.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -60.9 | 140.3 | 173.2 | -69.6 | 174.9 | -176.1 | 0 | 0 | 110.6 | H39 G246 R251 | H39-E249 IonicContact CE1-OE1 3.69Å; H39-E249 IonicContact CE1-OE2 3.57Å; H39-E249 IonicContact CG-OE1 3.64Å; H39-E249 VanDerWaalsContact ND1-CD 3.34Å; H39-E249 IonicContact ND1-OE1 2.71Å; H39-E249 PolarHBondContact ND1-OE1 2.94Å; H39-E249 IonicContact ND1-OE2 3.22Å; H39-E249 PolarHBondContact ND1-OE2 3.47Å; G246-E249 PolarHBondContact O-N 3.03Å; E249-R251 PolarHBondContact O-N 3.03Å; E249-R251 IonicContact OE2-NH2 2.73Å |
| 250 | T | 92.9 | Very high | 96 | Very high | 148 Ų | 148 | 49.9 Ų | 49.9 | 91% | 0.908 | 28% | 0.275 | S | S | * | . | trans | -63.5 | 128.4 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 251 | R | 94.6 | Very high | 96.1 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | trans | -127.8 | 147.6 | 177.4 | -68.1 | -179.2 | -179.8 | 87.9 | 12.1 | 109.6 | V181 G246 A247 E249 V253 | V181-R251 HydrophobicContact CB-CB 4.32Å; V181-R251 HydrophobicContact CG1-CB 3.9Å; G246-R251 PolarHBondContact O-NH1 3.3Å; G246-R251 VanDerWaalsContact O-NH1 3.13Å; G246-R251 PolarHBondContact O-NH2 3.08Å; A247-R251 PolarHBondContact O-NH1 3.04Å; E249-R251 PolarHBondContact O-N 3.03Å; E249-R251 IonicContact OE2-NH2 2.73Å; R251-V253 PolarHBondContact O-N 3.39Å | ||
| 252 | D | 97.4 | Very high | 96.3 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | trans | -65.7 | 120.2 | 169.2 | 172.7 | 24.5 | 0 | 0 | 0 | 109.4 | V181 R185 S254 | V181-D252 WeakPolarHBondContact CG1-O 3.17Å; R185-D252 WeakPolarHBondContact CD-O 3.33Å; R185-D252 VanDerWaalsContact CZ-O 3.3Å; R185-D252 IonicContact CZ-OD2 3Å; R185-D252 PolarHBondContact NE-O 3.01Å; R185-D252 PolarHBondContact NH1-O 2.93Å; R185-D252 IonicContact NH1-OD2 2.71Å; R185-D252 PolarHBondContact NH1-OD2 3.3Å; R185-D252 IonicContact NH2-OD1 3.18Å; R185-D252 IonicContact NH2-OD2 3.88Å; R185-D252 PolarHBondContact NH2-OD2 3.08Å; D252-S254 VanDerWaalsContact CG-OG 3.22Å; D252-S254 WeakPolarHBondContact OD1-CB 3.4Å; D252-S254 PolarHBondContact OD1-N 2.8Å; D252-S254 PolarHBondContact OD1-OG 2.86Å; D252-S254 PolarHBondContact OD2-OG 3.42Å; D252-S254 VanDerWaalsContact OD2-OG 3.12Å | ||
| 253 | V | 98 | Very high | 96.4 | Very high | 35 Ų | 35 | 52 Ų | 52 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | trans | -102.5 | 1.5 | 178.7 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | V56 A59 H60 V181 R251 | V56-V253 HydrophobicContact CG2-CB 4.25Å; V56-V253 HydrophobicContact CG2-CG1 3.97Å; A59-V253 HydrophobicContact CB-CB 4.02Å; A59-V253 HydrophobicContact CB-CG2 3.61Å; A59-V253 WeakPolarHBondContact CB-O 3.46Å; H60-V253 PolarHBondContact CE1-O 3.05Å; V181-V253 HydrophobicContact CG1-CG1 3.94Å; V181-V253 HydrophobicContact CG2-CG1 4.45Å; R251-V253 PolarHBondContact O-N 3.39Å | ||
| 254 | S | 97.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 55.4 Ų | 55.4 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -67 | 152.7 | -175 | 65.9 | 0 | 0 | 0 | 0 | 113 | R185 D252 L256 | R185-S254 PolarHBondContact NE-O 2.87Å; R185-S254 PolarHBondContact NH2-O 2.7Å; R185-S254 PolarHBondContact NH2-OG 3.13Å; D252-S254 VanDerWaalsContact CG-OG 3.22Å; D252-S254 WeakPolarHBondContact OD1-CB 3.4Å; D252-S254 PolarHBondContact OD1-N 2.8Å; D252-S254 PolarHBondContact OD1-OG 2.86Å; D252-S254 PolarHBondContact OD2-OG 3.42Å; D252-S254 VanDerWaalsContact OD2-OG 3.12Å; S254-L256 PolarHBondContact O-N 2.97Å |
| 255 | P | 97.6 | Very high | 96.5 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 136 | 175.2 | -26.2 | 34.9 | 0 | 0 | 0 | 113.3 | H60 | H60-P255 WeakPolarHBondContact NE2-CA 3.46Š|
| 256 | L | 98.1 | Very high | 96.6 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.335 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 155.8 | 169.3 | -63.5 | 172.3 | 0 | 0 | 0 | 110.3 | R185 A189 S254 V258 | R185-L256 HydrophobicContact CB-CD1 3.99Å; R185-L256 HydrophobicContact CB-CG 4.17Å; A189-L256 HydrophobicContact CB-CB 3.85Å; A189-L256 HydrophobicContact CB-CD1 4.47Å; S254-L256 PolarHBondContact O-N 2.97Å; L256-V258 PolarHBondContact O-N 3.48Å |
| 257 | P | 96.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 70.4 Ų | 70.4 | 81% | 0.805 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 134.3 | 177 | -25.3 | 34.6 | 0 | 0 | 0 | 112.9 | ||
| 258 | V | 96.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 70.8 Ų | 70.8 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 128.1 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | Q192 S193 L256 I260 | Q192-V258 HydrophobicContact CB-CG1 3.86Å; Q192-V258 HydrophobicContact CB-CG2 3.93Å; S193-V258 WeakPolarHBondContact OG-CA 3.26Å; L256-V258 PolarHBondContact O-N 3.48Å; V258-I260 HydrophobicContact CG1-CD1 4.38Å; V258-I260 HydrophobicContact CG1-CG1 4.01Å |
| 259 | H | 95.4 | Very high | 97.1 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 119.8 | 178.9 | 177.8 | -83.7 | 0 | 0 | 0 | 110.7 | S193 G194 | S193-H259 CarbonylContact C-O 3.55Å; S193-H259 WeakPolarHBondContact CA-O 3.39Å; S193-H259 PolarHBondContact OG-N 3.38Å; S193-H259 VanDerWaalsContact OG-N 3.14Å; G194-H259 PolarHBondContact N-O 3.06Å |
| 260 | I | 96.7 | Very high | 97.2 | Very high | 40 Ų | 40 | 71.2 Ų | 71.2 | 21% | 0.205 | 40% | 0.397 | C | S | . | . | trans | -120.2 | 123.6 | 179.7 | -54.5 | 179.4 | 0 | 0 | 0 | 108.7 | V258 P293 D393 | V258-I260 HydrophobicContact CG1-CD1 4.38Å; V258-I260 HydrophobicContact CG1-CG1 4.01Å; I260-P293 HydrophobicContact CD1-CB 4.3Å; I260-P293 HydrophobicContact CD1-CG 4.16Å; I260-D393 HydrophobicContact CG2-CB 4.05Å | ||
| 261 | P | 96.9 | Very high | 97.5 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | trans | -65.2 | 140 | 179.2 | 28.7 | -35.2 | 0 | 0 | 0 | 110.6 | R371 Q391 G392 D393 | P261-R371 HydrophobicContact CG-CB 3.98Å; P261-R371 HydrophobicContact CG-CG 4.15Å; P261-Q391 HydrophobicContact CB-CG 4.47Å; P261-G392 CarbonylContact O-C 3.49Å; P261-G392 WeakPolarHBondContact O-CA 3.25Å; P261-D393 PolarHBondContact O-N 2.88Å | ||
| 262 | Q | 97.8 | Very high | 97.7 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | trans | -126.6 | 149.8 | -178.5 | -65.3 | -62.9 | -28.7 | 0 | 0 | 110.3 | ||||
| 263 | A | 97.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | trans | -64.8 | 144.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V268 I390 F397 R400 | A263-V268 HydrophobicContact CB-CG2 3.81Å; A263-I390 HydrophobicContact CB-CD1 4.45Å; A263-I390 HydrophobicContact CB-CG2 3.59Å; A263-F397 HydrophobicContact CB-CD2 3.92Å; A263-R400 PolarHBondContact O-NH1 3.38Å | ||
| 264 | T | 98.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 44% | 0.442 | 35% | 0.346 | S | S | . | . | trans | -75.7 | 162.7 | 170 | 68.8 | 0 | 0 | 0 | 0 | 111 | D266 Q267 V268 R400 | T264-D266 VanDerWaalsContact C-N 3.34Å; T264-Q267 PolarHBondContact O-N 2.75Å; T264-Q267 WeakPolarHBondContact OG1-CB 3.07Å; T264-Q267 VanDerWaalsContact OG1-CG 3.26Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.42Å; T264-Q267 PolarHBondContact OG1-N 3.36Å; T264-Q267 PolarHBondContact OG1-OE1 2.98Å; T264-V268 WeakPolarHBondContact O-CG2 3.14Å; T264-V268 PolarHBondContact O-N 2.87Å; T264-V268 VanDerWaalsContact O-N 3.1Å; T264-R400 PolarHBondContact O-NH2 3.37Å | ||
| 265 | D | 98.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 60.4 Ų | 60.4 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 176.1 | -68.9 | -36.6 | 0 | 0 | 0 | 111.8 | Q267 V268 Q269 R400 | D265-Q267 VanDerWaalsContact C-N 3.32Å; D265-Q267 PolarHBondContact O-N 3.14Å; D265-V268 PolarHBondContact O-N 3.27Å; D265-V268 VanDerWaalsContact O-N 3.16Å; D265-Q269 WeakPolarHBondContact O-CB 3.27Å; D265-Q269 PolarHBondContact O-N 3.36Å; D265-R400 IonicContact OD1-CZ 2.65Å; D265-R400 IonicContact OD1-NH2 3.79Å; D265-R400 PolarHBondContact OD1-NH2 3.34Å |
| 266 | D | 98.1 | Very high | 97.5 | Very high | 138 Ų | 138 | 59.4 Ų | 59.4 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 176.5 | -61.8 | -23.2 | 0 | 0 | 0 | 112.6 | T264 Q269 G270 | T264-D266 VanDerWaalsContact C-N 3.34Å; D266-Q269 PolarHBondContact O-N 2.91Å; D266-G270 PolarHBondContact O-N 2.97Å |
| 267 | Q | 98.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.2 | -77.6 | 173.8 | -28.9 | 0 | 0 | 111.4 | T264 D265 C271 I390 | T264-Q267 PolarHBondContact O-N 2.75Å; T264-Q267 WeakPolarHBondContact OG1-CB 3.07Å; T264-Q267 VanDerWaalsContact OG1-CG 3.26Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.42Å; T264-Q267 PolarHBondContact OG1-N 3.36Å; T264-Q267 PolarHBondContact OG1-OE1 2.98Å; D265-Q267 VanDerWaalsContact C-N 3.32Å; D265-Q267 PolarHBondContact O-N 3.14Å; Q267-C271 PolarHBondContact O-N 3.29Å; Q267-C271 VanDerWaalsContact O-N 3.1Å; Q267-C271 PolarHBondContact O-SG 2.99Å; Q267-I390 HydrophobicContact CB-CD1 3.95Å; Q267-I390 HydrophobicContact CB-CG1 4.21Å; Q267-I390 HydrophobicContact CG-CG1 4.37Å |
| 268 | V | 98.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | A263 T264 D265 G270 C271 I272 F397 R400 | A263-V268 HydrophobicContact CB-CG2 3.81Å; T264-V268 WeakPolarHBondContact O-CG2 3.14Å; T264-V268 PolarHBondContact O-N 2.87Å; T264-V268 VanDerWaalsContact O-N 3.1Å; D265-V268 PolarHBondContact O-N 3.27Å; D265-V268 VanDerWaalsContact O-N 3.16Å; V268-G270 PolarHBondContact O-N 3.31Å; V268-C271 WeakPolarHBondContact O-CB 3.32Å; V268-C271 PolarHBondContact O-N 3.05Å; V268-C271 VanDerWaalsContact O-N 3.14Å; V268-I272 HydrophobicContact CG1-CD1 3.81Å; V268-I272 HydrophobicContact CG1-CG1 4.37Å; V268-I272 WeakPolarHBondContact O-CG1 3.48Å; V268-I272 PolarHBondContact O-N 3.18Å; V268-F397 HydrophobicContact CG2-CD2 4.03Å; V268-F397 HydrophobicContact CG2-CE2 4.11Å; V268-R400 HydrophobicContact CG1-CB 4.23Å; V268-R400 HydrophobicContact CG2-CB 4.43Å |
| 269 | Q | 98.2 | Very high | 97.3 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 178.4 | -172.8 | 57 | 33.4 | 0 | 0 | 112.2 | D265 D266 C271 I272 E273 | D265-Q269 WeakPolarHBondContact O-CB 3.27Å; D265-Q269 PolarHBondContact O-N 3.36Å; D266-Q269 PolarHBondContact O-N 2.91Å; Q269-C271 VanDerWaalsContact C-N 3.25Å; Q269-C271 PolarHBondContact O-N 2.99Å; Q269-I272 WeakPolarHBondContact O-CB 3.36Å; Q269-I272 PolarHBondContact O-N 3.41Å; Q269-I272 VanDerWaalsContact O-N 3.15Å; Q269-E273 PolarHBondContact O-N 3.48Å |
| 270 | G | 98.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -34.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | D266 V268 L274 | D266-G270 PolarHBondContact O-N 2.97Å; V268-G270 PolarHBondContact O-N 3.31Å; G270-L274 WeakPolarHBondContact O-CG 3.34Å; G270-L274 PolarHBondContact O-N 3.34Å |
| 271 | C | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.3 | -41.2 | 173.9 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | Q267 V268 Q269 E273 L274 V275 I367 F397 L401 | Q267-C271 PolarHBondContact O-N 3.29Å; Q267-C271 VanDerWaalsContact O-N 3.1Å; Q267-C271 PolarHBondContact O-SG 2.99Å; V268-C271 WeakPolarHBondContact O-CB 3.32Å; V268-C271 PolarHBondContact O-N 3.05Å; V268-C271 VanDerWaalsContact O-N 3.14Å; Q269-C271 VanDerWaalsContact C-N 3.25Å; Q269-C271 PolarHBondContact O-N 2.99Å; C271-E273 VanDerWaalsContact C-N 3.3Å; C271-E273 PolarHBondContact O-N 3.37Å; C271-L274 PolarHBondContact O-N 3.44Å; C271-V275 WeakPolarHBondContact O-CB 3.24Å; C271-V275 VanDerWaalsContact O-CG2 3.25Å; C271-V275 WeakPolarHBondContact O-CG2 3Å; C271-V275 PolarHBondContact O-N 3.33Å; C271-I367 HydrophobicContact CB-CD1 3.95Å; C271-I367 VanDerWaalsContact SG-CG2 3.6Å; C271-F397 HydrophobicContact CB-CE2 4.2Å; C271-F397 HydrophobicContact CB-CZ 3.82Å; C271-L401 HydrophobicContact CB-CD1 4.08Å |
| 272 | I | 98.1 | Very high | 97.5 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 175 | -70.2 | 161.9 | 0 | 0 | 0 | 109.8 | V268 Q269 L274 V275 S276 L401 L405 | V268-I272 HydrophobicContact CG1-CD1 3.81Å; V268-I272 HydrophobicContact CG1-CG1 4.37Å; V268-I272 WeakPolarHBondContact O-CG1 3.48Å; V268-I272 PolarHBondContact O-N 3.18Å; Q269-I272 WeakPolarHBondContact O-CB 3.36Å; Q269-I272 PolarHBondContact O-N 3.41Å; Q269-I272 VanDerWaalsContact O-N 3.15Å; I272-L274 PolarHBondContact O-N 2.92Å; I272-V275 PolarHBondContact O-N 3.02Å; I272-S276 VanDerWaalsContact O-CB 3.25Å; I272-S276 WeakPolarHBondContact O-CB 3.41Å; I272-S276 PolarHBondContact O-N 2.98Å; I272-S276 PolarHBondContact O-OG 3.03Å; I272-L401 HydrophobicContact CG1-CD1 3.88Å; I272-L405 HydrophobicContact CG1-CG 4.38Å; I272-L405 HydrophobicContact CG2-CD2 3.84Å; I272-L405 HydrophobicContact CG2-CG 4.18Å |
| 273 | E | 97.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 55 Ų | 55 | 42% | 0.416 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 178.2 | -71.6 | 176.9 | -161.2 | 0 | 0 | 112.7 | Q269 C271 S276 R277 | Q269-E273 PolarHBondContact O-N 3.48Å; C271-E273 VanDerWaalsContact C-N 3.3Å; C271-E273 PolarHBondContact O-N 3.37Å; E273-S276 PolarHBondContact O-OG 3.43Å; E273-R277 WeakPolarHBondContact O-CG 3.2Å |
| 274 | L | 97.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 178.1 | -73.1 | 178.9 | 0 | 0 | 0 | 112.2 | G270 C271 I272 R277 A278 L342 K365 I367 T387 I388 | G270-L274 WeakPolarHBondContact O-CG 3.34Å; G270-L274 PolarHBondContact O-N 3.34Å; C271-L274 PolarHBondContact O-N 3.44Å; I272-L274 PolarHBondContact O-N 2.92Å; L274-R277 PolarHBondContact O-N 3.36Å; L274-A278 PolarHBondContact O-N 2.92Å; L274-L342 HydrophobicContact CB-CD1 3.9Å; L274-K365 HydrophobicContact CD2-CG 4.47Å; L274-I367 HydrophobicContact CB-CD1 4.32Å; L274-I367 HydrophobicContact CD1-CD1 4.36Å; L274-I367 HydrophobicContact CD1-CG1 4.26Å; L274-T387 HydrophobicContact CD1-CG2 3.89Å; L274-I388 HydrophobicContact CD1-CD1 3.56Å; L274-I388 HydrophobicContact CD1-CG1 3.92Å; L274-I388 HydrophobicContact CG-CD1 4.48Å |
| 275 | V | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | -178.3 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | C271 I272 R277 A278 I309 L342 I367 L401 L405 | C271-V275 WeakPolarHBondContact O-CB 3.24Å; C271-V275 VanDerWaalsContact O-CG2 3.25Å; C271-V275 WeakPolarHBondContact O-CG2 3Å; C271-V275 PolarHBondContact O-N 3.33Å; I272-V275 PolarHBondContact O-N 3.02Å; V275-R277 PolarHBondContact O-N 2.93Å; V275-R277 VanDerWaalsContact O-N 3.1Å; V275-A278 WeakPolarHBondContact O-CB 3.29Å; V275-A278 PolarHBondContact O-N 2.77Å; V275-I309 HydrophobicContact CG1-CD1 3.65Å; V275-L342 HydrophobicContact CG2-CD1 4.03Å; V275-L342 HydrophobicContact CG2-CD2 4.1Å; V275-I367 HydrophobicContact CG2-CD1 3.9Å; V275-L401 HydrophobicContact CG2-CD1 4.43Å; V275-L401 HydrophobicContact CG2-CD2 4.46Å; V275-L405 HydrophobicContact CB-CD1 3.82Å; V275-L405 HydrophobicContact CG1-CD1 3.42Å; V275-L405 VanDerWaalsContact CG1-CD1 3.42Å |
| 276 | S | 95.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60 | -23.7 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | I272 E273 H408 | I272-S276 VanDerWaalsContact O-CB 3.25Å; I272-S276 WeakPolarHBondContact O-CB 3.41Å; I272-S276 PolarHBondContact O-N 2.98Å; I272-S276 PolarHBondContact O-OG 3.03Å; E273-S276 PolarHBondContact O-OG 3.43Å; S276-H408 PolarHBondContact O-CE1 2.89Å |
| 277 | R | 95.3 | Very high | 97.2 | Very high | 189 Ų | 189 | 41 Ų | 41 | 71% | 0.713 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -9.6 | 179.5 | -63.2 | 175.8 | -171.2 | 178.5 | 6.9 | 113.3 | E273 L274 V275 | E273-R277 WeakPolarHBondContact O-CG 3.2Å; L274-R277 PolarHBondContact O-N 3.36Å; V275-R277 PolarHBondContact O-N 2.93Å; V275-R277 VanDerWaalsContact O-N 3.1Å |
| 278 | A | 96.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | trans | -75.4 | 137.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L274 V275 P281 L342 | L274-A278 PolarHBondContact O-N 2.92Å; V275-A278 WeakPolarHBondContact O-CB 3.29Å; V275-A278 PolarHBondContact O-N 2.77Å; A278-P281 HydrophobicContact CB-CB 3.96Å; A278-P281 HydrophobicContact CB-CG 4.21Å; A278-L342 HydrophobicContact CB-CB 3.73Å; A278-L342 HydrophobicContact CB-CD1 4.13Å; A278-L342 HydrophobicContact CB-CG 4.45Å | ||
| 279 | K | 95.8 | Very high | 96.9 | Very high | 150 Ų | 150 | 37.9 Ų | 37.9 | 65% | 0.652 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -100.2 | -30.7 | 176.9 | -62.2 | -174.5 | 179.6 | -174.4 | 0 | 112.1 | D341 | K279-D341 PolarHBondContact N-OD2 3.34Š|
| 280 | K | 97 | Very high | 96.7 | Very high | 76 Ų | 76 | 34.1 Ų | 34.1 | 33% | 0.33 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -126.2 | 55.9 | 178.9 | -64.5 | -171.7 | 172 | -166.4 | 0 | 111.6 | E339 A340 D341 W414 | K280-E339 IonicContact NZ-OE2 2.7Å; K280-E339 PolarHBondContact NZ-OE2 3.43Å; K280-A340 VanDerWaalsContact O-CA 3.26Å; K280-A340 WeakPolarHBondContact O-CA 3.35Å; K280-A340 WeakPolarHBondContact O-CB 3.49Å; K280-D341 VanDerWaalsContact CA-OD1 3.27Å; K280-D341 WeakPolarHBondContact CA-OD1 3.48Å; K280-D341 VanDerWaalsContact N-CG 3.33Å; K280-D341 PolarHBondContact N-OD1 2.88Å; K280-D341 PolarHBondContact N-OD2 2.86Å; K280-D341 PolarHBondContact O-N 3.48Å; K280-W414 HydrophobicContact CB-CD2 3.91Å; K280-W414 HydrophobicContact CB-CE3 4.4Å; K280-W414 HydrophobicContact CB-CG 4.26Å; K280-W414 HydrophobicContact CB-CH2 4.44Å; K280-W414 HydrophobicContact CB-CZ2 3.94Å; K280-W414 HydrophobicContact CD-CD2 4.26Å; K280-W414 HydrophobicContact CD-CE3 3.91Å; K280-W414 HydrophobicContact CD-CH2 4.15Å; K280-W414 HydrophobicContact CD-CZ2 4.47Å; K280-W414 HydrophobicContact CD-CZ3 3.87Å; K280-W414 HydrophobicContact CG-CD2 3.79Å; K280-W414 HydrophobicContact CG-CE3 3.92Å; K280-W414 HydrophobicContact CG-CG 4.15Å; K280-W414 HydrophobicContact CG-CZ2 4.44Å; K280-W414 HydrophobicContact CG-CZ3 4.32Å |
| 281 | P | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 149 | 178.2 | 30.9 | -34.7 | 0 | 0 | 0 | 111.5 | A278 I309 L342 C410 W414 | A278-P281 HydrophobicContact CB-CB 3.96Å; A278-P281 HydrophobicContact CB-CG 4.21Å; P281-I309 HydrophobicContact CB-CD1 4.36Å; P281-I309 HydrophobicContact CB-CG1 4.48Å; P281-I309 HydrophobicContact CB-CG2 3.83Å; P281-I309 HydrophobicContact CG-CD1 4.44Å; P281-I309 HydrophobicContact CG-CG1 4.14Å; P281-I309 HydrophobicContact CG-CG2 3.98Å; P281-L342 CarbonylContact C-O 3.54Å; P281-L342 WeakPolarHBondContact CA-O 3.4Å; P281-L342 HydrophobicContact CB-CB 4.37Å; P281-L342 HydrophobicContact CB-CD2 4.11Å; P281-C410 HydrophobicContact CG-CB 3.95Å; P281-W414 PolarHBondContact O-NE1 3.39Å |
| 282 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145 | 169.1 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | L284 P310 L337 A340 L342 V343 L344 W414 L418 | V282-L284 HydrophobicContact CG2-CD1 4.37Å; V282-P310 CarbonylContact C-O 3.53Å; V282-P310 WeakPolarHBondContact CA-O 3.25Å; V282-L337 HydrophobicContact CG2-CD2 4.04Å; V282-A340 HydrophobicContact CG1-CB 4.23Å; V282-A340 HydrophobicContact CG2-CB 3.69Å; V282-L342 PolarHBondContact N-O 3.47Å; V282-V343 HydrophobicContact CG2-CB 4.33Å; V282-V343 HydrophobicContact CG2-CG1 4.23Å; V282-V343 HydrophobicContact CG2-CG2 3.88Å; V282-L344 PolarHBondContact O-N 2.86Å; V282-W414 HydrophobicContact CG1-CZ2 4.01Å; V282-L418 HydrophobicContact CG1-CD1 4.32Å |
| 283 | I | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.5 | 174.6 | -58.3 | 177.5 | 0 | 0 | 0 | 109.4 | L285 L304 L307 I309 P310 C311 F312 L344 | I283-L285 HydrophobicContact CG2-CB 4.33Å; I283-L304 HydrophobicContact CD1-CD2 4.1Å; I283-L307 HydrophobicContact CD1-CD1 4.23Å; I283-I309 HydrophobicContact CD1-CB 3.95Å; I283-I309 HydrophobicContact CD1-CD1 4.43Å; I283-I309 HydrophobicContact CD1-CG2 4.11Å; I283-I309 HydrophobicContact CG1-CB 4.15Å; I283-I309 HydrophobicContact CG1-CG2 3.72Å; I283-P310 PolarHBondContact N-O 3.27Å; I283-C311 HydrophobicContact CB-CB 4.31Å; I283-C311 CarbonylContact O-C 3.34Å; I283-C311 WeakPolarHBondContact O-CA 3.4Å; I283-F312 PolarHBondContact O-N 3.37Å; I283-L344 HydrophobicContact CD1-CD2 4.32Å; I283-L344 HydrophobicContact CG1-CB 4.24Å; I283-L344 HydrophobicContact CG1-CD2 4.11Å; I283-L344 HydrophobicContact CG2-CD2 4.49Å |
| 284 | L | 98.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 104.2 | 164.9 | -86.7 | 65.3 | 0 | 0 | 0 | 108.1 | V282 F312 L337 V343 L344 L345 A346 T348 L354 | V282-L284 HydrophobicContact CG2-CD1 4.37Å; L284-F312 HydrophobicContact CD1-CB 4.38Å; L284-F312 HydrophobicContact CD1-CD2 4.02Å; L284-F312 HydrophobicContact CG-CB 4.3Å; L284-L337 HydrophobicContact CD1-CD2 3.6Å; L284-L337 HydrophobicContact CD1-CG 4.45Å; L284-L337 HydrophobicContact CD2-CD1 4.18Å; L284-L337 HydrophobicContact CD2-CD2 4.19Å; L284-V343 HydrophobicContact CD1-CG1 4.32Å; L284-L344 PolarHBondContact N-O 3.29Å; L284-L345 HydrophobicContact CB-CD2 4.03Å; L284-L345 HydrophobicContact CD2-CD2 3.95Å; L284-A346 PolarHBondContact O-N 3.28Å; L284-T348 HydrophobicContact CB-CG2 4.28Å; L284-T348 HydrophobicContact CD2-CG2 4.41Å; L284-T348 PolarHBondContact O-OG1 2.76Å; L284-L354 HydrophobicContact CD2-CD1 3.69Å; L284-L354 HydrophobicContact CD2-CD2 3.88Å; L284-L354 HydrophobicContact CD2-CG 4.48Å |
| 285 | L | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.7 | -176.9 | -161.8 | 69.7 | 0 | 0 | 0 | 110.2 | I283 A289 L304 F312 L313 G314 S317 M320 A346 I398 | I283-L285 HydrophobicContact CG2-CB 4.33Å; L285-A289 HydrophobicContact CD1-CB 3.41Å; L285-A289 VanDerWaalsContact CD1-CB 3.41Å; L285-A289 HydrophobicContact CD2-CB 4.13Å; L285-A289 HydrophobicContact CG-CB 3.62Å; L285-L304 HydrophobicContact CD2-CD1 3.67Å; L285-L304 HydrophobicContact CD2-CD2 4.47Å; L285-F312 PolarHBondContact N-O 3.29Å; L285-L313 HydrophobicContact CB-CD2 3.91Å; L285-L313 HydrophobicContact CD2-CD2 3.82Å; L285-L313 HydrophobicContact CG-CD2 4.49Å; L285-G314 PolarHBondContact O-N 3.08Å; L285-G314 VanDerWaalsContact O-N 3.11Å; L285-S317 PolarHBondContact O-OG 2.89Å; L285-M320 HydrophobicContact CD2-CB 4.46Å; L285-M320 HydrophobicContact CD2-CG 4.38Å; L285-A346 HydrophobicContact CD1-CB 3.73Å; L285-I398 HydrophobicContact CD1-CG1 4.44Å |
| 286 | G | 95.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | trans | -102.5 | -179.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q288 A289 A346 T348 | G286-Q288 VanDerWaalsContact C-N 3.27Å; G286-Q288 PolarHBondContact O-N 3Å; G286-A289 WeakPolarHBondContact O-CB 3.47Å; G286-A289 PolarHBondContact O-N 2.95Å; G286-A289 VanDerWaalsContact O-N 3.11Å; G286-A346 PolarHBondContact N-O 3.34Å; G286-T348 PolarHBondContact N-OG1 3.43Å | ||
| 287 | S | 94.8 | Very high | 95 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -58.4 | -30.4 | -175.6 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | A289 T290 M316 | S287-A289 PolarHBondContact O-N 2.97Å; S287-A289 VanDerWaalsContact O-N 3.1Å; S287-T290 PolarHBondContact O-N 2.8Å; S287-T290 PolarHBondContact O-OG1 2.89Å; S287-M316 PolarHBondContact OG-N 2.93Å |
| 288 | Q | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -62.1 | -21.4 | 178.7 | -74.5 | -169.7 | 0.1 | 0 | 0 | 113.6 | E135 G286 T290 L291 N370 | E135-Q288 PolarHBondContact OE1-NE2 2.89Å; E135-Q288 WeakPolarHBondContact OE2-CG 3.39Å; E135-Q288 PolarHBondContact OE2-NE2 2.63Å; G286-Q288 VanDerWaalsContact C-N 3.27Å; G286-Q288 PolarHBondContact O-N 3Å; Q288-T290 PolarHBondContact O-N 2.84Å; Q288-L291 HydrophobicContact CB-CD1 4.14Å; Q288-L291 HydrophobicContact CG-CD1 3.91Å; Q288-L291 WeakPolarHBondContact O-CB 3.49Å; Q288-L291 PolarHBondContact O-N 2.95Å; Q288-N370 PolarHBondContact NE2-OD1 2.85Å; Q288-N370 VanDerWaalsContact OE1-CG 3.27Å; Q288-N370 PolarHBondContact OE1-OD1 3.25Å; Q288-N370 VanDerWaalsContact OE1-OD1 3.13Å |
| 289 | A | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -65.6 | -20.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L285 G286 S287 I299 A394 | L285-A289 HydrophobicContact CD1-CB 3.41Å; L285-A289 VanDerWaalsContact CD1-CB 3.41Å; L285-A289 HydrophobicContact CD2-CB 4.13Å; L285-A289 HydrophobicContact CG-CB 3.62Å; G286-A289 WeakPolarHBondContact O-CB 3.47Å; G286-A289 PolarHBondContact O-N 2.95Å; G286-A289 VanDerWaalsContact O-N 3.11Å; S287-A289 PolarHBondContact O-N 2.97Å; S287-A289 VanDerWaalsContact O-N 3.1Å; A289-I299 WeakPolarHBondContact O-CD1 3.25Å; A289-A394 HydrophobicContact CB-CB 4.5Å |
| 290 | T | 94.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.104 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -94.7 | 2.3 | 179.1 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | S287 Q288 M316 M320 L481 | S287-T290 PolarHBondContact O-N 2.8Å; S287-T290 PolarHBondContact O-OG1 2.89Å; Q288-T290 PolarHBondContact O-N 2.84Å; T290-M316 HydrophobicContact CG2-CB 4.28Å; T290-M320 HydrophobicContact CG2-CG 4.5Å; T290-M320 HydrophobicContact CG2-SD 4.09Å; T290-L481 HydrophobicContact CG2-CD2 4.25Å |
| 291 | L | 93.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -81.8 | 146 | -179.5 | -65.5 | 176.3 | 0 | 0 | 0 | 111.4 | P196 Q288 R371 | P196-L291 HydrophobicContact CG-CD1 4.03Å; P196-L291 HydrophobicContact CG-CD2 4.32Å; Q288-L291 HydrophobicContact CB-CD1 4.14Å; Q288-L291 HydrophobicContact CG-CD1 3.91Å; Q288-L291 WeakPolarHBondContact O-CB 3.49Å; Q288-L291 PolarHBondContact O-N 2.95Å; L291-R371 VanDerWaalsContact CB-NH2 3.26Å; L291-R371 PolarHBondContact O-NH2 3.28Å |
| 292 | P | 91.8 | Very high | 91.6 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 143.6 | 172.6 | -21 | 30.2 | 0 | 0 | 0 | 111.7 | G108 R371 | G108-P292 WeakPolarHBondContact O-CG 3.35Å; P292-R371 VanDerWaalsContact O-CZ 3.24Å; P292-R371 PolarHBondContact O-NH1 3.3Å; P292-R371 PolarHBondContact O-NH2 2.84Å |
| 293 | P | 93.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -103.3 | -11.8 | 32.7 | 36.9 | -34.8 | 0 | 0 | 0 | 114.7 | I260 P295 | I260-P293 HydrophobicContact CD1-CB 4.3Å; I260-P293 HydrophobicContact CD1-CG 4.16Å; P293-P295 WeakPolarHBondContact O-CD 3.4Å |
| 294 | T | 94 | Very high | 91 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -86.4 | 124.5 | -175.3 | -57.9 | 0 | 0 | 0 | 0 | 110 | I299 S396 V399 | T294-I299 HydrophobicContact CG2-CD1 3.83Å; T294-I299 HydrophobicContact CG2-CG1 3.5Å; T294-S396 WeakPolarHBondContact OG1-CA 3.31Å; T294-S396 PolarHBondContact OG1-N 2.76Å; T294-S396 PolarHBondContact OG1-OG 3.4Å; T294-V399 HydrophobicContact CG2-CG2 3.81Å |
| 295 | P | 92.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | trans | -59.6 | 139.3 | 176.3 | -24.5 | 35.2 | 0 | 0 | 0 | 112.4 | P293 E297 D298 I299 | P293-P295 WeakPolarHBondContact O-CD 3.4Å; P295-E297 VanDerWaalsContact C-N 3.28Å; P295-E297 PolarHBondContact O-N 3.32Å; P295-D298 HydrophobicContact CB-CB 4.37Å; P295-D298 PolarHBondContact O-N 2.86Å; P295-D298 VanDerWaalsContact O-N 3.13Å; P295-I299 PolarHBondContact O-N 3.16Å | ||
| 296 | A | 92.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -37.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D298 I299 S300 M320 P480 L481 | A296-D298 VanDerWaalsContact C-N 3.31Å; A296-D298 PolarHBondContact O-N 3.4Å; A296-I299 PolarHBondContact O-N 3.31Å; A296-S300 VanDerWaalsContact O-CB 3.3Å; A296-S300 WeakPolarHBondContact O-CB 3.38Å; A296-S300 PolarHBondContact O-N 3.15Å; A296-M320 HydrophobicContact CB-CE 4.25Å; A296-M320 HydrophobicContact CB-SD 3.8Å; A296-M320 WeakPolarHBondContact O-CE 3.1Å; A296-P480 HydrophobicContact CB-CB 3.83Å; A296-L481 HydrophobicContact CB-CD1 4.37Å; A296-L481 HydrophobicContact CB-CG 4.27Å |
| 297 | E | 88.8 | Confident | 90 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63 | -35.2 | 176.4 | -66.7 | 76.2 | -170.3 | 0 | 0 | 112.7 | P295 S300 R301 P480 | P295-E297 VanDerWaalsContact C-N 3.28Å; P295-E297 PolarHBondContact O-N 3.32Å; E297-S300 WeakPolarHBondContact O-CB 3.25Å; E297-R301 PolarHBondContact O-N 3.25Å; E297-P480 HydrophobicContact CG-CG 4.31Å |
| 298 | D | 87.1 | Confident | 89.8 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.1 | -41.4 | 178 | -78.5 | -21.5 | 0 | 0 | 0 | 111.3 | P295 A296 S300 K302 | P295-D298 HydrophobicContact CB-CB 4.37Å; P295-D298 PolarHBondContact O-N 2.86Å; P295-D298 VanDerWaalsContact O-N 3.13Å; A296-D298 VanDerWaalsContact C-N 3.31Å; A296-D298 PolarHBondContact O-N 3.4Å; D298-S300 VanDerWaalsContact C-N 3.33Å; D298-K302 HydrophobicContact CB-CD 4.41Å; D298-K302 WeakPolarHBondContact O-CA 2.97Å; D298-K302 VanDerWaalsContact O-CB 3.26Å; D298-K302 WeakPolarHBondContact O-CB 3.26Å; D298-K302 PolarHBondContact O-N 3.41Å; D298-K302 WeakPolarHBondContact OD1-CE 3.28Å; D298-K302 IonicContact OD1-NZ 2.76Å; D298-K302 PolarHBondContact OD1-NZ 3.19Å |
| 299 | I | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 175.8 | -60.7 | 162.2 | 0 | 0 | 0 | 110 | A289 T294 P295 A296 A303 L304 M320 G395 I398 V399 | A289-I299 WeakPolarHBondContact O-CD1 3.25Å; T294-I299 HydrophobicContact CG2-CD1 3.83Å; T294-I299 HydrophobicContact CG2-CG1 3.5Å; P295-I299 PolarHBondContact O-N 3.16Å; A296-I299 PolarHBondContact O-N 3.31Å; I299-A303 WeakPolarHBondContact O-CB 3.49Å; I299-A303 PolarHBondContact O-N 2.87Å; I299-L304 HydrophobicContact CG2-CD1 4.28Å; I299-L304 HydrophobicContact CG2-CG 4.26Å; I299-L304 WeakPolarHBondContact O-CG 3.36Å; I299-L304 PolarHBondContact O-N 3.39Å; I299-M320 HydrophobicContact CB-CE 3.74Å; I299-M320 HydrophobicContact CG2-CE 3.78Å; I299-G395 VanDerWaalsContact CD1-CA 3.41Å; I299-I398 HydrophobicContact CG2-CB 4.49Å; I299-I398 HydrophobicContact CG2-CG2 3.99Å; I299-V399 HydrophobicContact CG1-CG2 4.17Å |
| 300 | S | 83.3 | Confident | 89.9 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -54.3 | -67 | 177 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | A296 E297 D298 M320 | A296-S300 VanDerWaalsContact O-CB 3.3Å; A296-S300 WeakPolarHBondContact O-CB 3.38Å; A296-S300 PolarHBondContact O-N 3.15Å; E297-S300 WeakPolarHBondContact O-CB 3.25Å; D298-S300 VanDerWaalsContact C-N 3.33Å; S300-M320 WeakPolarHBondContact CB-O 3.22Å; S300-M320 PolarHBondContact OG-O 3.31Å |
| 301 | R | 76.1 | Confident | 90 | Very high | 182 Ų | 182 | 42.4 Ų | 42.4 | 69% | 0.687 | 22% | 0.217 | S | C | * | . | I | π-helix | trans | -82.2 | -35.9 | -168.8 | -67.1 | -175.5 | 177.3 | -161.9 | -0.8 | 114 | E297 | E297-R301 PolarHBondContact O-N 3.25Å |
| 302 | K | 73.4 | Confident | 90.1 | Very high | 128 Ų | 128 | 41.9 Ų | 41.9 | 56% | 0.557 | 21% | 0.214 | S | C | * | . | I | π-helix | trans | -102.4 | -7.9 | -168.9 | -56 | 173.2 | 178.1 | 160.4 | 0 | 113.6 | D298 D306 | D298-K302 HydrophobicContact CB-CD 4.41Å; D298-K302 WeakPolarHBondContact O-CA 2.97Å; D298-K302 VanDerWaalsContact O-CB 3.26Å; D298-K302 WeakPolarHBondContact O-CB 3.26Å; D298-K302 PolarHBondContact O-N 3.41Å; D298-K302 WeakPolarHBondContact OD1-CE 3.28Å; D298-K302 IonicContact OD1-NZ 2.76Å; D298-K302 PolarHBondContact OD1-NZ 3.19Å; K302-D306 VanDerWaalsContact O-OD2 3.07Å |
| 303 | A | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -125.6 | -55.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I299 L307 I398 V399 | I299-A303 WeakPolarHBondContact O-CB 3.49Å; I299-A303 PolarHBondContact O-N 2.87Å; A303-L307 WeakPolarHBondContact O-CB 3.49Å; A303-L307 VanDerWaalsContact O-CG 3.23Å; A303-L307 WeakPolarHBondContact O-CG 3.26Å; A303-L307 PolarHBondContact O-N 3.24Å; A303-I398 HydrophobicContact CB-CG2 3.71Å; A303-V399 HydrophobicContact CB-CG2 4.06Å |
| 304 | L | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -67.3 | -47.7 | -178 | -65.3 | 171.4 | 0 | 0 | 0 | 111.9 | I283 L285 I299 D306 L307 G308 L321 I327 I398 | I283-L304 HydrophobicContact CD1-CD2 4.1Å; L285-L304 HydrophobicContact CD2-CD1 3.67Å; L285-L304 HydrophobicContact CD2-CD2 4.47Å; I299-L304 HydrophobicContact CG2-CD1 4.28Å; I299-L304 HydrophobicContact CG2-CG 4.26Å; I299-L304 WeakPolarHBondContact O-CG 3.36Å; I299-L304 PolarHBondContact O-N 3.39Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-D306 PolarHBondContact O-N 3.12Å; L304-L307 PolarHBondContact O-N 3.11Å; L304-G308 PolarHBondContact O-N 3.1Å; L304-L321 HydrophobicContact CB-CD2 3.78Å; L304-L321 HydrophobicContact CD1-CD2 3.99Å; L304-L321 HydrophobicContact CD1-CG 4.25Å; L304-I327 HydrophobicContact CB-CD1 4.33Å; L304-I327 WeakPolarHBondContact O-CD1 3.42Å; L304-I398 HydrophobicContact CD2-CG2 3.97Å; L304-I398 HydrophobicContact CG-CG2 4.39Å |
| 305 | E | 89.5 | Confident | 90.1 | Very high | 91 Ų | 91 | 37.9 Ų | 37.9 | 43% | 0.425 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 178.1 | -67.1 | -176.4 | 154.9 | 0 | 0 | 111.8 | L307 G308 L321 | E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 2.72Å; E305-G308 PolarHBondContact O-N 3.23Å; E305-L321 HydrophobicContact CG-CD2 4.27Å |
| 306 | D | 89.2 | Confident | 90.1 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 43% | 0.433 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.8 | -34 | 177.7 | -85.6 | -9.2 | 0 | 0 | 0 | 113.3 | K302 L304 G308 S402 R409 | K302-D306 VanDerWaalsContact O-OD2 3.07Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-D306 PolarHBondContact O-N 3.12Å; D306-G308 VanDerWaalsContact C-N 3.33Å; D306-S402 WeakPolarHBondContact CB-OG 3.35Å; D306-R409 PolarHBondContact O-NH1 3.04Å |
| 307 | L | 91.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.9 | -32.1 | 175.3 | -77.9 | 169.1 | 0 | 0 | 0 | 112.1 | I283 A303 L304 E305 I309 I398 L401 L405 | I283-L307 HydrophobicContact CD1-CD1 4.23Å; A303-L307 WeakPolarHBondContact O-CB 3.49Å; A303-L307 VanDerWaalsContact O-CG 3.23Å; A303-L307 WeakPolarHBondContact O-CG 3.26Å; A303-L307 PolarHBondContact O-N 3.24Å; L304-L307 PolarHBondContact O-N 3.11Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 2.72Å; L307-I309 HydrophobicContact CB-CD1 4.32Å; L307-I309 HydrophobicContact CB-CG1 4.25Å; L307-I309 HydrophobicContact CD2-CD1 4.41Å; L307-I309 PolarHBondContact O-N 3.48Å; L307-I398 HydrophobicContact CD1-CG2 4.42Å; L307-L401 HydrophobicContact CD2-CG 4.41Å; L307-L405 HydrophobicContact CD2-CB 4.11Å; L307-L405 HydrophobicContact CD2-CD1 3.66Å |
| 308 | G | 90.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 14.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L304 E305 D306 | L304-G308 PolarHBondContact O-N 3.1Å; E305-G308 PolarHBondContact O-N 3.23Å; D306-G308 VanDerWaalsContact C-N 3.33Å |
| 309 | I | 95.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | trans | -88.8 | 133.5 | -177 | -61.1 | 172.2 | 0 | 0 | 0 | 109.9 | V275 P281 I283 L307 C311 | V275-I309 HydrophobicContact CG1-CD1 3.65Å; P281-I309 HydrophobicContact CB-CD1 4.36Å; P281-I309 HydrophobicContact CB-CG1 4.48Å; P281-I309 HydrophobicContact CB-CG2 3.83Å; P281-I309 HydrophobicContact CG-CD1 4.44Å; P281-I309 HydrophobicContact CG-CG1 4.14Å; P281-I309 HydrophobicContact CG-CG2 3.98Å; I283-I309 HydrophobicContact CD1-CB 3.95Å; I283-I309 HydrophobicContact CD1-CD1 4.43Å; I283-I309 HydrophobicContact CD1-CG2 4.11Å; I283-I309 HydrophobicContact CG1-CB 4.15Å; I283-I309 HydrophobicContact CG1-CG2 3.72Å; L307-I309 HydrophobicContact CB-CD1 4.32Å; L307-I309 HydrophobicContact CB-CG1 4.25Å; L307-I309 HydrophobicContact CD2-CD1 4.41Å; L307-I309 PolarHBondContact O-N 3.48Å; I309-C311 PolarHBondContact O-N 3.09Å | ||
| 310 | P | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -53.9 | 131.9 | 174.9 | -27.3 | 36.4 | 0 | 0 | 0 | 112.6 | V282 I283 I327 I329 P415 L418 | V282-P310 CarbonylContact C-O 3.53Å; V282-P310 WeakPolarHBondContact CA-O 3.25Å; I283-P310 PolarHBondContact N-O 3.27Å; P310-I327 CarbonylContact C-O 3.47Å; P310-I327 WeakPolarHBondContact CA-O 3.44Å; P310-I329 HydrophobicContact CB-CG1 3.98Å; P310-P415 HydrophobicContact CG-CB 3.91Å; P310-P415 HydrophobicContact CG-CG 3.78Å; P310-L418 HydrophobicContact CB-CD1 3.67Å; P310-L418 HydrophobicContact CG-CD1 3.92Å | ||
| 311 | C | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.8 | -169.6 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | I283 I309 L313 L321 I327 I329 | I283-C311 HydrophobicContact CB-CB 4.31Å; I283-C311 CarbonylContact O-C 3.34Å; I283-C311 WeakPolarHBondContact O-CA 3.4Å; I309-C311 PolarHBondContact O-N 3.09Å; C311-L313 VanDerWaalsContact SG-CD2 3.56Å; C311-L321 HydrophobicContact CB-CD1 3.75Å; C311-I327 PolarHBondContact N-O 3.46Å; C311-I329 PolarHBondContact O-N 3.35Å |
| 312 | F | 96.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.2 | 168.3 | -66.7 | -84.4 | 0 | 0 | 0 | 109.3 | I283 L284 L285 I329 Q331 R333 A336 | I283-F312 PolarHBondContact O-N 3.37Å; L284-F312 HydrophobicContact CD1-CB 4.38Å; L284-F312 HydrophobicContact CD1-CD2 4.02Å; L284-F312 HydrophobicContact CG-CB 4.3Å; L285-F312 PolarHBondContact N-O 3.29Å; F312-I329 HydrophobicContact CD1-CB 4.29Å; F312-I329 HydrophobicContact CD1-CG2 4.48Å; F312-I329 WeakPolarHBondContact CD1-O 3.25Å; F312-I329 HydrophobicContact CE1-CB 3.73Å; F312-I329 HydrophobicContact CE1-CG2 3.51Å; F312-I329 HydrophobicContact CE2-CB 4.37Å; F312-I329 HydrophobicContact CZ-CB 3.77Å; F312-I329 HydrophobicContact CZ-CG2 3.53Å; F312-Q331 WeakPolarHBondContact CE1-O 3.35Å; F312-R333 HydrophobicContact CD1-CB 3.69Å; F312-R333 HydrophobicContact CD1-CG 3.67Å; F312-R333 HydrophobicContact CD2-CG 4.16Å; F312-R333 VanDerWaalsContact CE1-CA 3.45Å; F312-R333 HydrophobicContact CE1-CB 3.48Å; F312-R333 VanDerWaalsContact CE1-CB 3.48Å; F312-R333 HydrophobicContact CE1-CG 3.84Å; F312-R333 HydrophobicContact CE2-CG 4.31Å; F312-R333 HydrophobicContact CG-CB 4.37Å; F312-R333 HydrophobicContact CG-CG 3.85Å; F312-R333 HydrophobicContact CZ-CB 4.01Å; F312-R333 HydrophobicContact CZ-CG 4.16Å; F312-A336 HydrophobicContact CE2-CB 3.84Å; F312-A336 HydrophobicContact CZ-CB 3.68Å |
| 313 | L | 95.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 20.1 Ų | 20.1 | 13% | 0.131 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.6 | -178.4 | -55.2 | -180 | 0 | 0 | 0 | 110.6 | L285 C311 S317 M320 L321 | L285-L313 HydrophobicContact CB-CD2 3.91Å; L285-L313 HydrophobicContact CD2-CD2 3.82Å; L285-L313 HydrophobicContact CG-CD2 4.49Å; C311-L313 VanDerWaalsContact SG-CD2 3.56Å; L313-S317 WeakPolarHBondContact CD1-O 3.44Å; L313-M320 HydrophobicContact CD1-CB 4.14Å; L313-M320 HydrophobicContact CD2-CB 4.23Å; L313-L321 HydrophobicContact CD1-CB 4.11Å; L313-L321 HydrophobicContact CD1-CD1 4.24Å; L313-L321 HydrophobicContact CD1-CG 4.19Å; L313-L321 HydrophobicContact CD2-CD1 4.33Å; L313-L321 HydrophobicContact CG-CD1 4.49Å |
| 314 | G | 92.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 25.9 Ų | 25.9 | 29% | 0.289 | 14% | 0.143 | S | C | . | . | trans | -143 | 148.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L285 M316 S317 | L285-G314 PolarHBondContact O-N 3.08Å; L285-G314 VanDerWaalsContact O-N 3.11Å; G314-M316 PolarHBondContact O-N 3.13Å; G314-S317 PolarHBondContact N-OG 3.1Å; G314-S317 PolarHBondContact O-N 2.79Å; G314-S317 PolarHBondContact O-OG 3Å | ||
| 315 | G | 91.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 59.1 | -131.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S317 R318 | G315-S317 PolarHBondContact O-N 3.26Å; G315-R318 WeakPolarHBondContact O-CB 3.21Å; G315-R318 WeakPolarHBondContact O-CG 3.29Å; G315-R318 PolarHBondContact O-N 3.16Å |
| 316 | M | 92.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -68.1 | -17.5 | -177.3 | -66.1 | -59.6 | -53.5 | 0 | 0 | 114 | R105 S287 T290 G314 R318 L481 W483 L484 | R105-M316 HydrophobicContact CB-CE 3.95Å; R105-M316 HydrophobicContact CB-SD 4.4Å; S287-M316 PolarHBondContact OG-N 2.93Å; T290-M316 HydrophobicContact CG2-CB 4.28Å; G314-M316 PolarHBondContact O-N 3.13Å; M316-R318 PolarHBondContact O-N 3.1Å; M316-L481 HydrophobicContact CE-CD2 4.14Å; M316-W483 VanDerWaalsContact CE-O 3.28Å; M316-W483 WeakPolarHBondContact CE-O 3.48Å; M316-W483 VanDerWaalsContact SD-O 3.41Å; M316-L484 HydrophobicContact CE-CD2 3.73Å; M316-L484 HydrophobicContact SD-CD2 3.8Å |
| 317 | S | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -76.3 | -6.1 | 177.2 | 76.5 | 0 | 0 | 0 | 0 | 112.7 | L285 L313 G314 G315 G319 M320 | L285-S317 PolarHBondContact O-OG 2.89Å; L313-S317 WeakPolarHBondContact CD1-O 3.44Å; G314-S317 PolarHBondContact N-OG 3.1Å; G314-S317 PolarHBondContact O-N 2.79Å; G314-S317 PolarHBondContact O-OG 3Å; G315-S317 PolarHBondContact O-N 3.26Å; S317-G319 PolarHBondContact O-N 3.02Å; S317-M320 WeakPolarHBondContact O-CB 3.39Å; S317-M320 WeakPolarHBondContact O-CG 3.38Å; S317-M320 PolarHBondContact O-N 2.98Å |
| 318 | R | 93.7 | Very high | 92.7 | Very high | 49 Ų | 49 | 23.6 Ų | 23.6 | 19% | 0.185 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 127 | 175.1 | -67 | -179.9 | 75 | 158.8 | 9.8 | 109.9 | G315 M316 A472 P477 W483 | G315-R318 WeakPolarHBondContact O-CB 3.21Å; G315-R318 WeakPolarHBondContact O-CG 3.29Å; G315-R318 PolarHBondContact O-N 3.16Å; M316-R318 PolarHBondContact O-N 3.1Å; R318-A472 PolarHBondContact NH2-O 2.91Å; R318-P477 HydrophobicContact CB-CG 4.02Å; R318-W483 HydrophobicContact CB-CB 3.99Å; R318-W483 HydrophobicContact CB-CD2 4.45Å; R318-W483 HydrophobicContact CB-CG 3.91Å; R318-W483 VanDerWaalsContact NH1-CZ2 3.27Å |
| 319 | G | 92.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S317 L321 G322 P477 G479 | S317-G319 PolarHBondContact O-N 3.02Å; G319-L321 PolarHBondContact O-N 3.24Å; G319-G322 PolarHBondContact O-N 3.48Å; G319-P477 WeakPolarHBondContact CA-O 3.46Å; G319-G479 VanDerWaalsContact C-C 3.48Å; G319-G479 CarbonylContact C-O 3.56Å; G319-G479 WeakPolarHBondContact CA-O 3.35Å; G319-G479 CarbonylContact O-C 3.2Å; G319-G479 WeakPolarHBondContact O-CA 3.45Å |
| 320 | M | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.1 | 177.4 | -73.7 | -71 | -69.6 | 0 | 0 | 114.3 | L285 T290 A296 I299 S300 L313 S317 P480 | L285-M320 HydrophobicContact CD2-CB 4.46Å; L285-M320 HydrophobicContact CD2-CG 4.38Å; T290-M320 HydrophobicContact CG2-CG 4.5Å; T290-M320 HydrophobicContact CG2-SD 4.09Å; A296-M320 HydrophobicContact CB-CE 4.25Å; A296-M320 HydrophobicContact CB-SD 3.8Å; A296-M320 WeakPolarHBondContact O-CE 3.1Å; I299-M320 HydrophobicContact CB-CE 3.74Å; I299-M320 HydrophobicContact CG2-CE 3.78Å; S300-M320 WeakPolarHBondContact CB-O 3.22Å; S300-M320 PolarHBondContact OG-O 3.31Å; L313-M320 HydrophobicContact CD1-CB 4.14Å; L313-M320 HydrophobicContact CD2-CB 4.23Å; S317-M320 WeakPolarHBondContact O-CB 3.39Å; S317-M320 WeakPolarHBondContact O-CG 3.38Å; S317-M320 PolarHBondContact O-N 2.98Å; M320-P480 HydrophobicContact SD-CB 3.75Å; M320-P480 HydrophobicContact SD-CG 4.09Å |
| 321 | L | 93.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 15.2 | 178.3 | -67.7 | 170.8 | 0 | 0 | 0 | 112.5 | L304 E305 C311 L313 G319 S325 I327 H328 | L304-L321 HydrophobicContact CB-CD2 3.78Å; L304-L321 HydrophobicContact CD1-CD2 3.99Å; L304-L321 HydrophobicContact CD1-CG 4.25Å; E305-L321 HydrophobicContact CG-CD2 4.27Å; C311-L321 HydrophobicContact CB-CD1 3.75Å; L313-L321 HydrophobicContact CD1-CB 4.11Å; L313-L321 HydrophobicContact CD1-CD1 4.24Å; L313-L321 HydrophobicContact CD1-CG 4.19Å; L313-L321 HydrophobicContact CD2-CD1 4.33Å; L313-L321 HydrophobicContact CG-CD1 4.49Å; G319-L321 PolarHBondContact O-N 3.24Å; L321-S325 WeakPolarHBondContact O-CB 3.38Å; L321-I327 HydrophobicContact CD1-CD1 4.22Å; L321-I327 HydrophobicContact CD1-CG1 4.09Å; L321-I327 HydrophobicContact CD2-CD1 4.02Å; L321-I327 HydrophobicContact CD2-CG1 4.34Å; L321-H328 HydrophobicContact CB-CB 3.96Å; L321-H328 HydrophobicContact CD1-CB 3.84Å |
| 322 | G | 90.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -155.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | G319 R330 | G319-G322 PolarHBondContact O-N 3.48Å; G322-R330 PolarHBondContact O-NH2 3.46Å |
| 323 | K | 84.6 | Confident | 92.3 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 34% | 0.335 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -50.5 | -172.8 | -165.5 | -179.1 | 175.6 | 175.5 | 0 | 112.7 | R330 | K323-R330 PolarHBondContact O-NH1 3.1Å; K323-R330 PolarHBondContact O-NH2 3.13Å |
| 324 | D | 85.8 | Confident | 92.3 | Very high | 121 Ų | 121 | 40.5 Ų | 40.5 | 65% | 0.647 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 19.4 | -161 | -57.5 | -47.7 | 0 | 0 | 0 | 114.5 | ||
| 325 | S | 91.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | trans | -58.6 | 133.6 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | L321 I327 H328 | L321-S325 WeakPolarHBondContact O-CB 3.38Å; S325-I327 PolarHBondContact O-N 3.07Å; S325-I327 VanDerWaalsContact OG-CG1 3.25Å; S325-I327 WeakPolarHBondContact OG-CG1 3.42Å; S325-H328 PolarHBondContact O-N 3.45Å | ||
| 326 | P | 91.1 | Very high | 92.7 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24 | -178.2 | 27 | -35 | 0 | 0 | 0 | 112.9 | ||
| 327 | I | 93.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.062 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -9.7 | 179.7 | 58.7 | 164.4 | 0 | 0 | 0 | 112.8 | L304 P310 C311 L321 S325 I329 | L304-I327 HydrophobicContact CB-CD1 4.33Å; L304-I327 WeakPolarHBondContact O-CD1 3.42Å; P310-I327 CarbonylContact C-O 3.47Å; P310-I327 WeakPolarHBondContact CA-O 3.44Å; C311-I327 PolarHBondContact N-O 3.46Å; L321-I327 HydrophobicContact CD1-CD1 4.22Å; L321-I327 HydrophobicContact CD1-CG1 4.09Å; L321-I327 HydrophobicContact CD2-CD1 4.02Å; L321-I327 HydrophobicContact CD2-CG1 4.34Å; S325-I327 PolarHBondContact O-N 3.07Å; S325-I327 VanDerWaalsContact OG-CG1 3.25Å; S325-I327 WeakPolarHBondContact OG-CG1 3.42Å; I327-I329 PolarHBondContact O-N 3.36Å |
| 328 | H | 94.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 6% | 0.06 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -81.1 | 113.3 | 177 | -174.3 | -169.7 | 0 | 0 | 0 | 110.4 | L321 S325 R330 K419 | L321-H328 HydrophobicContact CB-CB 3.96Å; L321-H328 HydrophobicContact CD1-CB 3.84Å; S325-H328 PolarHBondContact O-N 3.45Å; H328-R330 VanDerWaalsContact CE1-CZ 3.41Å; H328-R330 PolarHBondContact CE1-NE 3.22Å; H328-R330 PolarHBondContact CE1-NH2 3.19Å; H328-R330 PolarHBondContact ND1-NH2 3.3Å; H328-R330 VanDerWaalsContact ND1-NH2 3.18Å; H328-K419 PolarHBondContact O-NZ 3.13Å |
| 329 | I | 95.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | trans | -108.2 | 130.8 | 175.5 | -46.6 | -56.9 | 0 | 0 | 0 | 108.6 | P310 C311 F312 I327 L418 K419 D422 | P310-I329 HydrophobicContact CB-CG1 3.98Å; C311-I329 PolarHBondContact O-N 3.35Å; F312-I329 HydrophobicContact CD1-CB 4.29Å; F312-I329 HydrophobicContact CD1-CG2 4.48Å; F312-I329 WeakPolarHBondContact CD1-O 3.25Å; F312-I329 HydrophobicContact CE1-CB 3.73Å; F312-I329 HydrophobicContact CE1-CG2 3.51Å; F312-I329 HydrophobicContact CE2-CB 4.37Å; F312-I329 HydrophobicContact CZ-CB 3.77Å; F312-I329 HydrophobicContact CZ-CG2 3.53Å; I327-I329 PolarHBondContact O-N 3.36Å; I329-L418 HydrophobicContact CD1-CB 3.8Å; I329-L418 HydrophobicContact CG1-CB 4.04Å; I329-L418 HydrophobicContact CG1-CD1 4.33Å; I329-L418 HydrophobicContact CG2-CB 4.44Å; I329-K419 HydrophobicContact CD1-CB 4.25Å; I329-K419 HydrophobicContact CD1-CD 4.04Å; I329-D422 HydrophobicContact CG2-CB 4.28Å | ||
| 330 | R | 91.7 | Very high | 93.3 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | trans | -109.6 | -43 | -175.3 | -65.1 | 177.8 | 174.2 | 86.8 | -2.5 | 111.5 | G322 K323 H328 D422 | G322-R330 PolarHBondContact O-NH2 3.46Å; K323-R330 PolarHBondContact O-NH1 3.1Å; K323-R330 PolarHBondContact O-NH2 3.13Å; H328-R330 VanDerWaalsContact CE1-CZ 3.41Å; H328-R330 PolarHBondContact CE1-NE 3.22Å; H328-R330 PolarHBondContact CE1-NH2 3.19Å; H328-R330 PolarHBondContact ND1-NH2 3.3Å; H328-R330 VanDerWaalsContact ND1-NH2 3.18Å; R330-D422 WeakPolarHBondContact CA-OD1 3.45Å; R330-D422 WeakPolarHBondContact CB-OD1 3.46Å; R330-D422 PolarHBondContact N-OD1 2.91Å | ||
| 331 | Q | 92.3 | Very high | 93.5 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -97.1 | 171.6 | -176.3 | -55.4 | -58.3 | -23.7 | 0 | 0 | 112 | F312 R333 D422 K425 E426 | F312-Q331 WeakPolarHBondContact CE1-O 3.35Å; Q331-R333 PolarHBondContact O-N 3.17Å; Q331-D422 PolarHBondContact N-OD1 2.85Å; Q331-K425 HydrophobicContact CB-CB 3.82Å; Q331-K425 HydrophobicContact CB-CG 3.79Å; Q331-K425 HydrophobicContact CG-CB 3.95Å; Q331-K425 HydrophobicContact CG-CG 3.82Å; Q331-E426 HydrophobicContact CG-CG 4.24Å; Q331-E426 VanDerWaalsContact CG-OE1 3.31Å; Q331-E426 WeakPolarHBondContact CG-OE1 3.42Å; Q331-E426 PolarHBondContact NE2-OE1 3.23Å |
| 332 | N | 92.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | trans | 55.5 | 22.9 | 172.8 | -54.5 | -25.9 | 0 | 0 | 0 | 115.6 | R334 D335 A336 G421 | N332-R334 PolarHBondContact O-N 3Å; N332-R334 VanDerWaalsContact O-N 3.12Å; N332-D335 PolarHBondContact O-N 3.24Å; N332-A336 PolarHBondContact O-N 2.93Å; N332-A336 VanDerWaalsContact O-N 3.11Å; N332-G421 PolarHBondContact ND2-O 2.91Å; N332-G421 VanDerWaalsContact ND2-O 3.09Å | ||
| 333 | R | 95.3 | Very high | 94.1 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.6 | -40.5 | 179.3 | -174.7 | 179.6 | 67.5 | 169.6 | 4 | 113.2 | F312 Q331 D335 L337 R353 | F312-R333 HydrophobicContact CD1-CB 3.69Å; F312-R333 HydrophobicContact CD1-CG 3.67Å; F312-R333 HydrophobicContact CD2-CG 4.16Å; F312-R333 VanDerWaalsContact CE1-CA 3.45Å; F312-R333 HydrophobicContact CE1-CB 3.48Å; F312-R333 VanDerWaalsContact CE1-CB 3.48Å; F312-R333 HydrophobicContact CE1-CG 3.84Å; F312-R333 HydrophobicContact CE2-CG 4.31Å; F312-R333 HydrophobicContact CG-CB 4.37Å; F312-R333 HydrophobicContact CG-CG 3.85Å; F312-R333 HydrophobicContact CZ-CB 4.01Å; F312-R333 HydrophobicContact CZ-CG 4.16Å; Q331-R333 PolarHBondContact O-N 3.17Å; R333-D335 VanDerWaalsContact C-N 3.33Å; R333-D335 PolarHBondContact O-N 2.92Å; R333-L337 HydrophobicContact CG-CD1 3.92Å; R333-L337 HydrophobicContact CG-CG 4.34Å; R333-L337 WeakPolarHBondContact O-CB 3.34Å; R333-L337 VanDerWaalsContact O-CG 3.23Å; R333-L337 WeakPolarHBondContact O-CG 3.38Å; R333-L337 PolarHBondContact O-N 3.16Å; R333-R353 PolarHBondContact NH2-O 3.35Å |
| 334 | R | 94.5 | Very high | 94.8 | Very high | 168 Ų | 168 | 46.9 Ų | 46.9 | 63% | 0.634 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -58.2 | -44.9 | -179.6 | 177.5 | 176.8 | -174.3 | -166.5 | -0.2 | 111.9 | N332 K338 V359 | N332-R334 PolarHBondContact O-N 3Å; N332-R334 VanDerWaalsContact O-N 3.12Å; R334-K338 WeakPolarHBondContact O-CG 3.38Å; R334-K338 PolarHBondContact O-N 3.4Å; R334-V359 HydrophobicContact CB-CG2 4.2Å; R334-V359 HydrophobicContact CG-CG2 3.68Å |
| 335 | D | 95.3 | Very high | 95.4 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -81.5 | -37 | -174.2 | -59.3 | -40.9 | 0 | 0 | 0 | 110.8 | N332 R333 L337 K338 E339 | N332-D335 PolarHBondContact O-N 3.24Å; R333-D335 VanDerWaalsContact C-N 3.33Å; R333-D335 PolarHBondContact O-N 2.92Å; D335-L337 VanDerWaalsContact C-N 3.28Å; D335-L337 PolarHBondContact O-N 3.38Å; D335-K338 PolarHBondContact O-N 3.19Å; D335-K338 VanDerWaalsContact O-N 3.08Å; D335-K338 IonicContact OD1-NZ 3.26Å; D335-K338 PolarHBondContact OD1-NZ 2.71Å; D335-E339 PolarHBondContact O-N 3.37Å |
| 336 | A | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.6 | -43.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F312 N332 K338 E339 A340 L418 | F312-A336 HydrophobicContact CE2-CB 3.84Å; F312-A336 HydrophobicContact CZ-CB 3.68Å; N332-A336 PolarHBondContact O-N 2.93Å; N332-A336 VanDerWaalsContact O-N 3.11Å; A336-K338 PolarHBondContact O-N 3.3Å; A336-E339 PolarHBondContact O-N 3.5Å; A336-A340 WeakPolarHBondContact O-CB 3.3Å; A336-A340 PolarHBondContact O-N 3.11Å; A336-L418 HydrophobicContact CB-CD1 4.37Å; A336-L418 HydrophobicContact CB-CD2 3.75Å |
| 337 | L | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68 | -29.4 | 177.5 | -75.8 | 174.2 | 0 | 0 | 0 | 114.2 | V282 L284 R333 D335 V343 L354 V359 L360 | V282-L337 HydrophobicContact CG2-CD2 4.04Å; L284-L337 HydrophobicContact CD1-CD2 3.6Å; L284-L337 HydrophobicContact CD1-CG 4.45Å; L284-L337 HydrophobicContact CD2-CD1 4.18Å; L284-L337 HydrophobicContact CD2-CD2 4.19Å; R333-L337 HydrophobicContact CG-CD1 3.92Å; R333-L337 HydrophobicContact CG-CG 4.34Å; R333-L337 WeakPolarHBondContact O-CB 3.34Å; R333-L337 VanDerWaalsContact O-CG 3.23Å; R333-L337 WeakPolarHBondContact O-CG 3.38Å; R333-L337 PolarHBondContact O-N 3.16Å; D335-L337 VanDerWaalsContact C-N 3.28Å; D335-L337 PolarHBondContact O-N 3.38Å; L337-V343 HydrophobicContact CD2-CG1 3.94Å; L337-V343 HydrophobicContact CD2-CG2 4.05Å; L337-L354 HydrophobicContact CD1-CD1 3.75Å; L337-V359 HydrophobicContact CB-CG2 4.3Å; L337-V359 HydrophobicContact CD1-CG1 3.69Å; L337-V359 HydrophobicContact CD1-CG2 4.31Å; L337-L360 HydrophobicContact CD1-CD2 4.32Å; L337-L360 HydrophobicContact CD2-CD2 3.78Å; L337-L360 HydrophobicContact CG-CD2 4.47Å |
| 338 | K | 95.8 | Very high | 96 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 38% | 0.378 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.3 | -35.6 | 174.5 | -71.7 | 171.3 | -170.4 | 158.5 | 0 | 111.5 | R334 D335 A336 N361 | R334-K338 WeakPolarHBondContact O-CG 3.38Å; R334-K338 PolarHBondContact O-N 3.4Å; D335-K338 PolarHBondContact O-N 3.19Å; D335-K338 VanDerWaalsContact O-N 3.08Å; D335-K338 IonicContact OD1-NZ 3.26Å; D335-K338 PolarHBondContact OD1-NZ 2.71Å; A336-K338 PolarHBondContact O-N 3.3Å; K338-N361 WeakPolarHBondContact O-CB 3.23Å; K338-N361 PolarHBondContact O-ND2 3.26Å |
| 339 | E | 96.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 38 Ų | 38 | 49% | 0.486 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -84.1 | -24.4 | -178.2 | -74.4 | -166.9 | -142.1 | 0 | 0 | 114.3 | K280 D335 A336 D341 W414 | K280-E339 IonicContact NZ-OE2 2.7Å; K280-E339 PolarHBondContact NZ-OE2 3.43Å; D335-E339 PolarHBondContact O-N 3.37Å; A336-E339 PolarHBondContact O-N 3.5Å; E339-D341 PolarHBondContact O-N 2.93Å; E339-W414 HydrophobicContact CB-CH2 3.83Å; E339-W414 HydrophobicContact CB-CZ3 4.39Å |
| 340 | A | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | trans | -58.6 | 135.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | K280 V282 A336 V343 S364 | K280-A340 VanDerWaalsContact O-CA 3.26Å; K280-A340 WeakPolarHBondContact O-CA 3.35Å; K280-A340 WeakPolarHBondContact O-CB 3.49Å; V282-A340 HydrophobicContact CG1-CB 4.23Å; V282-A340 HydrophobicContact CG2-CB 3.69Å; A336-A340 WeakPolarHBondContact O-CB 3.3Å; A336-A340 PolarHBondContact O-N 3.11Å; A340-V343 HydrophobicContact CB-CG2 3.94Å; A340-S364 WeakPolarHBondContact O-CB 3.49Å | ||
| 341 | D | 97.5 | Very high | 96.2 | Very high | 54 Ų | 54 | 36.4 Ų | 36.4 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -90.3 | -18.2 | 171 | 65.5 | -7.8 | 0 | 0 | 0 | 112.1 | K279 K280 E339 S364 K365 | K279-D341 PolarHBondContact N-OD2 3.34Å; K280-D341 VanDerWaalsContact CA-OD1 3.27Å; K280-D341 WeakPolarHBondContact CA-OD1 3.48Å; K280-D341 VanDerWaalsContact N-CG 3.33Å; K280-D341 PolarHBondContact N-OD1 2.88Å; K280-D341 PolarHBondContact N-OD2 2.86Å; K280-D341 PolarHBondContact O-N 3.48Å; E339-D341 PolarHBondContact O-N 2.93Å; D341-S364 CarbonylContact O-C 3.53Å; D341-S364 WeakPolarHBondContact O-CA 3.13Å; D341-K365 PolarHBondContact O-N 3Å |
| 342 | L | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.3 | 171.7 | -176.1 | 145.7 | 0 | 0 | 0 | 111.3 | L274 V275 A278 P281 V282 K365 I367 | L274-L342 HydrophobicContact CB-CD1 3.9Å; V275-L342 HydrophobicContact CG2-CD1 4.03Å; V275-L342 HydrophobicContact CG2-CD2 4.1Å; A278-L342 HydrophobicContact CB-CB 3.73Å; A278-L342 HydrophobicContact CB-CD1 4.13Å; A278-L342 HydrophobicContact CB-CG 4.45Å; P281-L342 CarbonylContact C-O 3.54Å; P281-L342 WeakPolarHBondContact CA-O 3.4Å; P281-L342 HydrophobicContact CB-CB 4.37Å; P281-L342 HydrophobicContact CB-CD2 4.11Å; V282-L342 PolarHBondContact N-O 3.47Å; L342-K365 CarbonylContact C-O 3.59Å; L342-K365 VanDerWaalsContact CA-O 3.25Å; L342-K365 WeakPolarHBondContact CA-O 3.43Å; L342-K365 HydrophobicContact CD1-CB 4.38Å; L342-K365 HydrophobicContact CG-CB 4.46Å; L342-I367 HydrophobicContact CD1-CD1 4.13Å; L342-I367 HydrophobicContact CD2-CD1 4.49Å |
| 343 | V | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.9 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | V282 L284 L337 A340 L345 L360 K365 I366 I367 | V282-V343 HydrophobicContact CG2-CB 4.33Å; V282-V343 HydrophobicContact CG2-CG1 4.23Å; V282-V343 HydrophobicContact CG2-CG2 3.88Å; L284-V343 HydrophobicContact CD1-CG1 4.32Å; L337-V343 HydrophobicContact CD2-CG1 3.94Å; L337-V343 HydrophobicContact CD2-CG2 4.05Å; A340-V343 HydrophobicContact CB-CG2 3.94Å; V343-L345 HydrophobicContact CG1-CD2 3.72Å; V343-L345 HydrophobicContact CG1-CG 4.19Å; V343-L360 HydrophobicContact CG1-CD2 4.15Å; V343-L360 HydrophobicContact CG2-CD2 4.4Å; V343-K365 PolarHBondContact N-O 3.18Å; V343-I366 WeakPolarHBondContact O-CA 3.42Å; V343-I367 PolarHBondContact O-N 3.3Å |
| 344 | L | 98.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.7 | 170.7 | 175.1 | 58.2 | 0 | 0 | 0 | 110.1 | V282 I283 L284 A346 I367 V369 F397 I398 L401 | V282-L344 PolarHBondContact O-N 2.86Å; I283-L344 HydrophobicContact CD1-CD2 4.32Å; I283-L344 HydrophobicContact CG1-CB 4.24Å; I283-L344 HydrophobicContact CG1-CD2 4.11Å; I283-L344 HydrophobicContact CG2-CD2 4.49Å; L284-L344 PolarHBondContact N-O 3.29Å; L344-A346 HydrophobicContact CG-CB 4.33Å; L344-A346 PolarHBondContact O-N 2.61Å; L344-I367 CarbonylContact C-O 3.56Å; L344-I367 WeakPolarHBondContact CA-O 3.44Å; L344-I367 HydrophobicContact CD1-CB 3.73Å; L344-I367 HydrophobicContact CD1-CG2 3.49Å; L344-I367 VanDerWaalsContact CD1-CG2 3.49Å; L344-V369 HydrophobicContact CD1-CG2 4.26Å; L344-F397 HydrophobicContact CD1-CE1 3.85Å; L344-F397 HydrophobicContact CD2-CE1 4.24Å; L344-I398 HydrophobicContact CD2-CD1 3.52Å; L344-L401 HydrophobicContact CD2-CD2 3.79Å |
| 345 | L | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 91.7 | 172.5 | -55.4 | 177.7 | 0 | 0 | 0 | 109 | L284 V343 T348 L354 L360 I366 I367 A368 V369 W384 | L284-L345 HydrophobicContact CB-CD2 4.03Å; L284-L345 HydrophobicContact CD2-CD2 3.95Å; V343-L345 HydrophobicContact CG1-CD2 3.72Å; V343-L345 HydrophobicContact CG1-CG 4.19Å; L345-T348 HydrophobicContact CD2-CG2 4.46Å; L345-L354 HydrophobicContact CD2-CD2 4.18Å; L345-L360 HydrophobicContact CD1-CD1 4.28Å; L345-I366 HydrophobicContact CD1-CG2 3.95Å; L345-I366 HydrophobicContact CG-CG2 4.3Å; L345-I367 PolarHBondContact N-O 3.44Å; L345-A368 HydrophobicContact CB-CB 4.36Å; L345-V369 PolarHBondContact O-N 2.92Å; L345-W384 HydrophobicContact CD1-CE3 4.35Å; L345-W384 HydrophobicContact CD1-CH2 4.11Å; L345-W384 HydrophobicContact CD1-CZ3 3.85Å |
| 346 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 101.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L284 L285 G286 L344 T348 A394 I398 | L284-A346 PolarHBondContact O-N 3.28Å; L285-A346 HydrophobicContact CD1-CB 3.73Å; G286-A346 PolarHBondContact N-O 3.34Å; L344-A346 HydrophobicContact CG-CB 4.33Å; L344-A346 PolarHBondContact O-N 2.61Å; A346-T348 PolarHBondContact O-N 2.95Å; A346-A394 HydrophobicContact CB-CB 4.36Å; A346-I398 HydrophobicContact CB-CD1 4.09Å; A346-I398 HydrophobicContact CB-CG1 4.23Å |
| 347 | G | 95.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 69.9 | 15.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V369 | G347-V369 PolarHBondContact N-O 3.12Š|
| 348 | T | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 41 Ų | 41 | 18% | 0.184 | 19% | 0.19 | C | C | . | . | trans | -102.6 | 138.4 | -177.8 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | L284 G286 L345 A346 L354 | L284-T348 HydrophobicContact CB-CG2 4.28Å; L284-T348 HydrophobicContact CD2-CG2 4.41Å; L284-T348 PolarHBondContact O-OG1 2.76Å; G286-T348 PolarHBondContact N-OG1 3.43Å; L345-T348 HydrophobicContact CD2-CG2 4.46Å; A346-T348 PolarHBondContact O-N 2.95Å; T348-L354 HydrophobicContact CG2-CD2 4.18Å | ||
| 349 | V | 95.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | trans | -106.3 | 133 | 179 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | D351 Q375 K378 | V349-D351 HydrophobicContact CG1-CB 4.31Å; V349-D351 PolarHBondContact O-N 3.01Å; V349-Q375 HydrophobicContact CG1-CB 4.43Å; V349-Q375 HydrophobicContact CG2-CB 3.97Å; V349-Q375 HydrophobicContact CG2-CG 4.33Å; V349-K378 HydrophobicContact CG1-CB 3.87Å; V349-K378 HydrophobicContact CG1-CG 4.12Å | ||
| 350 | C | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | trans | -76.2 | 61 | 174.1 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | Y356 N379 W384 | C350-Y356 WeakPolarHBondContact O-CA 3.29Å; C350-N379 PolarHBondContact O-ND2 3.43Å; C350-W384 HydrophobicContact CB-CZ2 3.75Å; C350-W384 VanDerWaalsContact SG-CZ2 3.55Å | ||
| 351 | D | 93.3 | Very high | 95.2 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -94.2 | -165.2 | 175.1 | 65 | 32.9 | 0 | 0 | 0 | 112.1 | V349 R353 L354 S355 Y356 | V349-D351 HydrophobicContact CG1-CB 4.31Å; V349-D351 PolarHBondContact O-N 3.01Å; D351-R353 PolarHBondContact O-N 3.01Å; D351-R353 VanDerWaalsContact O-N 3.16Å; D351-R353 WeakPolarHBondContact OD1-CB 3.4Å; D351-R353 WeakPolarHBondContact OD1-CG 3.47Å; D351-R353 IonicContact OD1-CZ 3.3Å; D351-R353 PolarHBondContact OD1-N 3.25Å; D351-R353 IonicContact OD1-NE 3.57Å; D351-R353 PolarHBondContact OD1-NE 3.1Å; D351-R353 VanDerWaalsContact OD1-NE 3.1Å; D351-R353 IonicContact OD1-NH2 3.61Å; D351-R353 IonicContact OD2-CZ 2.82Å; D351-R353 VanDerWaalsContact OD2-CZ 3.3Å; D351-R353 IonicContact OD2-NE 3.92Å; D351-R353 PolarHBondContact OD2-NE 3.11Å; D351-R353 VanDerWaalsContact OD2-NE 3.08Å; D351-R353 IonicContact OD2-NH2 3.37Å; D351-R353 PolarHBondContact OD2-NH2 3.47Å; D351-L354 CarbonylContact O-C 3.56Å; D351-L354 PolarHBondContact O-N 3.03Å; D351-S355 PolarHBondContact O-N 3.4Å; D351-Y356 PolarHBondContact O-N 3.2Å |
| 352 | F | 91.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -55.7 | -31.3 | -179.2 | 75.3 | -86.4 | 0 | 0 | 0 | 113 | L354 S355 Y356 | F352-L354 PolarHBondContact O-N 3.1Å; F352-S355 PolarHBondContact O-N 3.28Å; F352-Y356 HydrophobicContact CB-CE1 4.11Å; F352-Y356 HydrophobicContact CB-CE2 4.34Å |
| 353 | R | 89.9 | Confident | 94.6 | Very high | 101 Ų | 101 | 54 Ų | 54 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -68.9 | -19.4 | 179.4 | -56.1 | 173.2 | -67.8 | 172.9 | -2.1 | 112.8 | R333 D351 | R333-R353 PolarHBondContact NH2-O 3.35Å; D351-R353 PolarHBondContact O-N 3.01Å; D351-R353 VanDerWaalsContact O-N 3.16Å; D351-R353 WeakPolarHBondContact OD1-CB 3.4Å; D351-R353 WeakPolarHBondContact OD1-CG 3.47Å; D351-R353 IonicContact OD1-CZ 3.3Å; D351-R353 PolarHBondContact OD1-N 3.25Å; D351-R353 IonicContact OD1-NE 3.57Å; D351-R353 PolarHBondContact OD1-NE 3.1Å; D351-R353 VanDerWaalsContact OD1-NE 3.1Å; D351-R353 IonicContact OD1-NH2 3.61Å; D351-R353 IonicContact OD2-CZ 2.82Å; D351-R353 VanDerWaalsContact OD2-CZ 3.3Å; D351-R353 IonicContact OD2-NE 3.92Å; D351-R353 PolarHBondContact OD2-NE 3.11Å; D351-R353 VanDerWaalsContact OD2-NE 3.08Å; D351-R353 IonicContact OD2-NH2 3.37Å; D351-R353 PolarHBondContact OD2-NH2 3.47Å |
| 354 | L | 92.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -115.6 | 25.9 | 172.7 | -161.9 | 60.1 | 0 | 0 | 0 | 111.4 | L284 L337 L345 T348 D351 F352 Y356 G357 V359 | L284-L354 HydrophobicContact CD2-CD1 3.69Å; L284-L354 HydrophobicContact CD2-CD2 3.88Å; L284-L354 HydrophobicContact CD2-CG 4.48Å; L337-L354 HydrophobicContact CD1-CD1 3.75Å; L345-L354 HydrophobicContact CD2-CD2 4.18Å; T348-L354 HydrophobicContact CG2-CD2 4.18Å; D351-L354 CarbonylContact O-C 3.56Å; D351-L354 PolarHBondContact O-N 3.03Å; F352-L354 PolarHBondContact O-N 3.1Å; L354-Y356 PolarHBondContact O-N 2.91Å; L354-Y356 VanDerWaalsContact O-N 3.13Å; L354-G357 PolarHBondContact O-N 3.37Å; L354-V359 HydrophobicContact CD1-CG1 3.86Å; L354-V359 HydrophobicContact CG-CG1 4.12Å |
| 355 | S | 93.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 43% | 0.427 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | 50.7 | 39.2 | -180 | -50.9 | 0 | 0 | 0 | 0 | 113.1 | D351 F352 G357 R358 | D351-S355 PolarHBondContact O-N 3.4Å; F352-S355 PolarHBondContact O-N 3.28Å; S355-G357 PolarHBondContact O-N 3.07Å; S355-G357 VanDerWaalsContact O-N 3.13Å; S355-R358 VanDerWaalsContact O-CB 3.23Å; S355-R358 WeakPolarHBondContact O-CB 3.38Å; S355-R358 VanDerWaalsContact O-CG 3.24Å; S355-R358 WeakPolarHBondContact O-CG 3.41Å; S355-R358 PolarHBondContact O-N 2.66Å |
| 356 | Y | 94.9 | Very high | 94.5 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 37% | 0.373 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | 58.1 | 24.4 | -178.5 | -46 | -85.4 | 0 | 0 | 0 | 113.8 | C350 D351 F352 L354 R358 | C350-Y356 WeakPolarHBondContact O-CA 3.29Å; D351-Y356 PolarHBondContact O-N 3.2Å; F352-Y356 HydrophobicContact CB-CE1 4.11Å; F352-Y356 HydrophobicContact CB-CE2 4.34Å; L354-Y356 PolarHBondContact O-N 2.91Å; L354-Y356 VanDerWaalsContact O-N 3.13Å; Y356-R358 VanDerWaalsContact C-N 3.32Å; Y356-R358 PolarHBondContact O-N 2.85Å |
| 357 | G | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | 81.6 | -0.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L354 S355 V359 L360 | L354-G357 PolarHBondContact O-N 3.37Å; S355-G357 PolarHBondContact O-N 3.07Å; S355-G357 VanDerWaalsContact O-N 3.13Å; G357-V359 PolarHBondContact O-N 3.03Å; G357-V359 VanDerWaalsContact O-N 3.16Å; G357-L360 WeakPolarHBondContact O-CB 3.35Å; G357-L360 WeakPolarHBondContact O-CG 3.24Å; G357-L360 PolarHBondContact O-N 2.87Å; G357-L360 VanDerWaalsContact O-N 3.1Å |
| 358 | R | 94.6 | Very high | 94.6 | Very high | 154 Ų | 154 | 59.4 Ų | 59.4 | 58% | 0.581 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22 | 179.6 | -66 | 173.4 | -177.5 | 164.4 | 2.5 | 114.1 | S355 Y356 L360 F383 | S355-R358 VanDerWaalsContact O-CB 3.23Å; S355-R358 WeakPolarHBondContact O-CB 3.38Å; S355-R358 VanDerWaalsContact O-CG 3.24Å; S355-R358 WeakPolarHBondContact O-CG 3.41Å; S355-R358 PolarHBondContact O-N 2.66Å; Y356-R358 VanDerWaalsContact C-N 3.32Å; Y356-R358 PolarHBondContact O-N 2.85Å; R358-L360 VanDerWaalsContact C-N 3.3Å; R358-F383 HydrophobicContact CG-CB 3.8Å; R358-F383 HydrophobicContact CG-CD1 3.74Å; R358-F383 HydrophobicContact CG-CD2 3.68Å; R358-F383 HydrophobicContact CG-CE1 4.26Å; R358-F383 HydrophobicContact CG-CE2 4.18Å; R358-F383 HydrophobicContact CG-CG 3.45Å; R358-F383 VanDerWaalsContact CG-CG 3.45Å; R358-F383 HydrophobicContact CG-CZ 4.48Å; R358-F383 VanDerWaalsContact NE-CE2 3.3Å; R358-F383 VanDerWaalsContact NE-CZ 3.27Å; R358-F383 VanDerWaalsContact NH2-CZ 3.3Å |
| 359 | V | 94.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.8 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | R334 L337 L354 G357 | R334-V359 HydrophobicContact CB-CG2 4.2Å; R334-V359 HydrophobicContact CG-CG2 3.68Å; L337-V359 HydrophobicContact CB-CG2 4.3Å; L337-V359 HydrophobicContact CD1-CG1 3.69Å; L337-V359 HydrophobicContact CD1-CG2 4.31Å; L354-V359 HydrophobicContact CD1-CG1 3.86Å; L354-V359 HydrophobicContact CG-CG1 4.12Å; G357-V359 PolarHBondContact O-N 3.03Å; G357-V359 VanDerWaalsContact O-N 3.16Å |
| 360 | L | 95.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -73.1 | 133.6 | -179.6 | -56.6 | 178.4 | 0 | 0 | 0 | 109.9 | L337 V343 L345 G357 R358 R362 I366 W384 | L337-L360 HydrophobicContact CD1-CD2 4.32Å; L337-L360 HydrophobicContact CD2-CD2 3.78Å; L337-L360 HydrophobicContact CG-CD2 4.47Å; V343-L360 HydrophobicContact CG1-CD2 4.15Å; V343-L360 HydrophobicContact CG2-CD2 4.4Å; L345-L360 HydrophobicContact CD1-CD1 4.28Å; G357-L360 WeakPolarHBondContact O-CB 3.35Å; G357-L360 WeakPolarHBondContact O-CG 3.24Å; G357-L360 PolarHBondContact O-N 2.87Å; G357-L360 VanDerWaalsContact O-N 3.1Å; R358-L360 VanDerWaalsContact C-N 3.3Å; L360-R362 PolarHBondContact O-N 3.26Å; L360-I366 HydrophobicContact CB-CD1 4.25Å; L360-I366 HydrophobicContact CD1-CD1 3.92Å; L360-W384 HydrophobicContact CD1-CB 3.93Å; L360-W384 HydrophobicContact CD1-CD2 4.21Å; L360-W384 HydrophobicContact CD1-CE3 4.22Å; L360-W384 HydrophobicContact CD1-CG 4.11Å |
| 361 | N | 92.7 | Very high | 95 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | trans | -65.3 | 128.5 | 176.2 | -176.7 | -16.7 | 0 | 0 | 0 | 110.8 | K338 R363 S364 | K338-N361 WeakPolarHBondContact O-CB 3.23Å; K338-N361 PolarHBondContact O-ND2 3.26Å; N361-R363 PolarHBondContact O-N 3Å; N361-R363 VanDerWaalsContact O-N 3.13Å; N361-R363 PolarHBondContact OD1-N 3.34Å; N361-S364 WeakPolarHBondContact O-CB 3.32Å; N361-S364 PolarHBondContact O-N 3.19Å; N361-S364 PolarHBondContact O-OG 2.82Å | ||
| 362 | R | 90.4 | Very high | 95.1 | Very high | 213 Ų | 213 | 58.5 Ų | 58.5 | 80% | 0.804 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22 | 178.6 | -61 | -172.8 | 77 | 94.4 | -3.1 | 114 | L360 | L360-R362 PolarHBondContact O-N 3.26Š|
| 363 | R | 91.8 | Very high | 95.4 | Very high | 229 Ų | 229 | 59.6 Ų | 59.6 | 86% | 0.864 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -15.9 | 176.4 | -61.9 | -176.6 | -177 | 177.9 | 1.3 | 113.1 | N361 | N361-R363 PolarHBondContact O-N 3Å; N361-R363 VanDerWaalsContact O-N 3.13Å; N361-R363 PolarHBondContact OD1-N 3.34Å |
| 364 | S | 96.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.9 | 143.2 | 180 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | A340 D341 N361 | A340-S364 WeakPolarHBondContact O-CB 3.49Å; D341-S364 CarbonylContact O-C 3.53Å; D341-S364 WeakPolarHBondContact O-CA 3.13Å; N361-S364 WeakPolarHBondContact O-CB 3.32Å; N361-S364 PolarHBondContact O-N 3.19Å; N361-S364 PolarHBondContact O-OG 2.82Å |
| 365 | K | 98.3 | Very high | 95.8 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.9 | 165.7 | -60.6 | -56.6 | -173.6 | 179.2 | 0 | 108.3 | L274 D341 L342 V343 T387 | L274-K365 HydrophobicContact CD2-CG 4.47Å; D341-K365 PolarHBondContact O-N 3Å; L342-K365 CarbonylContact C-O 3.59Å; L342-K365 VanDerWaalsContact CA-O 3.25Å; L342-K365 WeakPolarHBondContact CA-O 3.43Å; L342-K365 HydrophobicContact CD1-CB 4.38Å; L342-K365 HydrophobicContact CG-CB 4.46Å; V343-K365 PolarHBondContact N-O 3.18Å; K365-T387 HydrophobicContact CD-CG2 4.14Å |
| 366 | I | 98.4 | Very high | 96 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.3 | -176.5 | -59.6 | 169.2 | 0 | 0 | 0 | 108.8 | V343 L345 L360 W384 P386 T387 I388 | V343-I366 WeakPolarHBondContact O-CA 3.42Å; L345-I366 HydrophobicContact CD1-CG2 3.95Å; L345-I366 HydrophobicContact CG-CG2 4.3Å; L360-I366 HydrophobicContact CB-CD1 4.25Å; L360-I366 HydrophobicContact CD1-CD1 3.92Å; I366-W384 HydrophobicContact CD1-CB 4.24Å; I366-W384 HydrophobicContact CD1-CE3 4.09Å; I366-W384 HydrophobicContact CG2-CE3 3.99Å; I366-W384 HydrophobicContact CG2-CZ3 3.88Å; I366-P386 CarbonylContact O-C 3.39Å; I366-T387 PolarHBondContact N-OG1 2.93Å; I366-T387 VanDerWaalsContact N-OG1 3.17Å; I366-T387 WeakPolarHBondContact O-CA 3.48Å; I366-T387 WeakPolarHBondContact O-CB 3.29Å; I366-T387 PolarHBondContact O-N 3.3Å; I366-I388 PolarHBondContact O-N 2.95Å |
| 367 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.7 | 169 | -59.6 | 169.2 | 0 | 0 | 0 | 106.6 | C271 L274 V275 L342 V343 L344 L345 V369 I388 F397 | C271-I367 HydrophobicContact CB-CD1 3.95Å; C271-I367 VanDerWaalsContact SG-CG2 3.6Å; L274-I367 HydrophobicContact CB-CD1 4.32Å; L274-I367 HydrophobicContact CD1-CD1 4.36Å; L274-I367 HydrophobicContact CD1-CG1 4.26Å; V275-I367 HydrophobicContact CG2-CD1 3.9Å; L342-I367 HydrophobicContact CD1-CD1 4.13Å; L342-I367 HydrophobicContact CD2-CD1 4.49Å; V343-I367 PolarHBondContact O-N 3.3Å; L344-I367 CarbonylContact C-O 3.56Å; L344-I367 WeakPolarHBondContact CA-O 3.44Å; L344-I367 HydrophobicContact CD1-CB 3.73Å; L344-I367 HydrophobicContact CD1-CG2 3.49Å; L344-I367 VanDerWaalsContact CD1-CG2 3.49Å; L345-I367 PolarHBondContact N-O 3.44Å; I367-V369 HydrophobicContact CG2-CG2 4.21Å; I367-I388 WeakPolarHBondContact CA-O 3.35Å; I367-F397 HydrophobicContact CG2-CZ 4.23Å |
| 368 | A | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L345 L376 W384 P386 I388 I390 | L345-A368 HydrophobicContact CB-CB 4.36Å; A368-L376 HydrophobicContact CB-CD1 3.64Å; A368-L376 WeakPolarHBondContact O-CD1 3.5Å; A368-W384 HydrophobicContact CB-CH2 4.38Å; A368-W384 HydrophobicContact CB-CZ3 4.32Å; A368-P386 HydrophobicContact CB-CB 4.22Å; A368-I388 PolarHBondContact N-O 3.47Å; A368-I390 PolarHBondContact O-N 3.41Å |
| 369 | V | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.5 | -179.9 | -170.2 | 0 | 0 | 0 | 0 | 109.2 | L344 L345 G347 I367 I390 F397 | L344-V369 HydrophobicContact CD1-CG2 4.26Å; L345-V369 PolarHBondContact O-N 2.92Å; G347-V369 PolarHBondContact N-O 3.12Å; I367-V369 HydrophobicContact CG2-CG2 4.21Å; V369-I390 WeakPolarHBondContact CA-O 3.32Å; V369-I390 HydrophobicContact CB-CB 4.46Å; V369-I390 HydrophobicContact CG1-CB 4.21Å; V369-I390 HydrophobicContact CG1-CG2 4.19Å; V369-I390 HydrophobicContact CG2-CB 4.09Å; V369-I390 HydrophobicContact CG2-CD1 4.11Å; V369-I390 HydrophobicContact CG2-CG1 4.43Å; V369-F397 HydrophobicContact CB-CD1 4.38Å; V369-F397 HydrophobicContact CG1-CB 4.04Å; V369-F397 HydrophobicContact CG1-CD1 4.37Å; V369-F397 HydrophobicContact CG1-CG 4.13Å; V369-F397 HydrophobicContact CG2-CD1 3.65Å; V369-F397 HydrophobicContact CG2-CD2 4.35Å; V369-F397 HydrophobicContact CG2-CE1 3.68Å; V369-F397 HydrophobicContact CG2-CE2 4.38Å; V369-F397 HydrophobicContact CG2-CG 3.99Å; V369-F397 HydrophobicContact CG2-CZ 4.06Å |
| 370 | N | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 143 | 179.4 | -170.3 | -57.1 | 0 | 0 | 0 | 109.7 | Q288 N372 Q375 L376 I390 Q391 G392 | Q288-N370 PolarHBondContact NE2-OD1 2.85Å; Q288-N370 VanDerWaalsContact OE1-CG 3.27Å; Q288-N370 PolarHBondContact OE1-OD1 3.25Å; Q288-N370 VanDerWaalsContact OE1-OD1 3.13Å; N370-N372 VanDerWaalsContact C-N 3.28Å; N370-N372 PolarHBondContact O-N 2.83Å; N370-N372 PolarHBondContact OD1-N 3.12Å; N370-N372 PolarHBondContact OD1-O 2.78Å; N370-Q375 PolarHBondContact ND2-OE1 3.16Å; N370-L376 HydrophobicContact CB-CB 3.99Å; N370-L376 HydrophobicContact CB-CD1 4.08Å; N370-I390 PolarHBondContact N-O 2.89Å; N370-I390 VanDerWaalsContact N-O 3.12Å; N370-Q391 VanDerWaalsContact O-CA 3.29Å; N370-Q391 WeakPolarHBondContact O-CA 3.33Å; N370-G392 CarbonylContact C-O 3.56Å; N370-G392 VanDerWaalsContact C-O 3.28Å; N370-G392 PolarHBondContact O-N 2.96Å; N370-G392 VanDerWaalsContact O-N 3.16Å |
| 371 | R | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -68.1 | -28.7 | 179.2 | -61.7 | -173.6 | -172.2 | -169.8 | 5.8 | 112.8 | G194 T195 P261 L291 P292 Q391 G392 D393 | G194-R371 WeakPolarHBondContact O-CD 3.18Å; T195-R371 VanDerWaalsContact OG1-C 3.29Å; T195-R371 WeakPolarHBondContact OG1-CB 3.34Å; P261-R371 HydrophobicContact CG-CB 3.98Å; P261-R371 HydrophobicContact CG-CG 4.15Å; L291-R371 VanDerWaalsContact CB-NH2 3.26Å; L291-R371 PolarHBondContact O-NH2 3.28Å; P292-R371 VanDerWaalsContact O-CZ 3.24Å; P292-R371 PolarHBondContact O-NH1 3.3Å; P292-R371 PolarHBondContact O-NH2 2.84Å; R371-Q391 WeakPolarHBondContact O-CG 3.36Å; R371-Q391 PolarHBondContact O-NE2 2.91Å; R371-Q391 VanDerWaalsContact O-NE2 3.16Å; R371-G392 PolarHBondContact N-O 2.87Å; R371-D393 IonicContact CZ-OD2 2.61Å; R371-D393 VanDerWaalsContact CZ-OD2 3.24Å; R371-D393 IonicContact NE-OD2 3.75Å; R371-D393 PolarHBondContact NE-OD2 3.39Å; R371-D393 IonicContact NH2-OD1 3.24Å; R371-D393 IonicContact NH2-OD2 3.04Å; R371-D393 PolarHBondContact NH2-OD2 3.13Å |
| 372 | N | 96.9 | Very high | 95.6 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | trans | -97.9 | 118 | -179.8 | -169.4 | -74.1 | 0 | 0 | 0 | 110.9 | T195 N370 S374 Q375 L376 | T195-N372 HydrophobicContact CG2-CB 4.38Å; T195-N372 WeakPolarHBondContact OG1-CA 3.2Å; T195-N372 VanDerWaalsContact OG1-CB 3.28Å; T195-N372 WeakPolarHBondContact OG1-CB 3.48Å; T195-N372 PolarHBondContact OG1-N 2.85Å; T195-N372 VanDerWaalsContact OG1-N 3.14Å; N370-N372 VanDerWaalsContact C-N 3.28Å; N370-N372 PolarHBondContact O-N 2.83Å; N370-N372 PolarHBondContact OD1-N 3.12Å; N370-N372 PolarHBondContact OD1-O 2.78Å; N372-S374 VanDerWaalsContact C-N 3.33Å; N372-S374 PolarHBondContact O-N 3.38Å; N372-S374 WeakPolarHBondContact OD1-CA 3.42Å; N372-S374 VanDerWaalsContact OD1-CB 3.27Å; N372-S374 WeakPolarHBondContact OD1-CB 3.32Å; N372-S374 PolarHBondContact OD1-N 3.41Å; N372-Q375 HydrophobicContact CB-CB 4.05Å; N372-Q375 HydrophobicContact CB-CG 3.97Å; N372-Q375 PolarHBondContact O-N 3.03Å; N372-Q375 PolarHBondContact OD1-N 3.28Å; N372-Q375 VanDerWaalsContact OD1-N 3.08Å; N372-L376 WeakPolarHBondContact O-CB 3.43Å; N372-L376 PolarHBondContact O-N 3.4Å | ||
| 373 | K | 96.6 | Very high | 95.3 | Very high | 130 Ų | 130 | 56.7 Ų | 56.7 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61 | -36.2 | 179.6 | -172.5 | 174.9 | 179.7 | 178.2 | 0 | 114 | L376 L377 | K373-L376 WeakPolarHBondContact O-CB 3.44Å; K373-L377 HydrophobicContact CG-CD1 4.43Å; K373-L377 PolarHBondContact O-N 3.01Å |
| 374 | S | 95.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 58% | 0.58 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.9 | -38.3 | 179.1 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | N372 K378 | N372-S374 VanDerWaalsContact C-N 3.33Å; N372-S374 PolarHBondContact O-N 3.38Å; N372-S374 WeakPolarHBondContact OD1-CA 3.42Å; N372-S374 VanDerWaalsContact OD1-CB 3.27Å; N372-S374 WeakPolarHBondContact OD1-CB 3.32Å; N372-S374 PolarHBondContact OD1-N 3.41Å; S374-K378 PolarHBondContact O-N 2.87Å |
| 375 | Q | 95.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73 | -40 | 174.9 | -64.7 | -175.7 | 9.1 | 0 | 0 | 112.8 | E135 V349 N370 N372 L377 K378 | E135-Q375 PolarHBondContact OE1-NE2 3.18Å; E135-Q375 PolarHBondContact OE1-OE1 2.92Å; V349-Q375 HydrophobicContact CG1-CB 4.43Å; V349-Q375 HydrophobicContact CG2-CB 3.97Å; V349-Q375 HydrophobicContact CG2-CG 4.33Å; N370-Q375 PolarHBondContact ND2-OE1 3.16Å; N372-Q375 HydrophobicContact CB-CB 4.05Å; N372-Q375 HydrophobicContact CB-CG 3.97Å; N372-Q375 PolarHBondContact O-N 3.03Å; N372-Q375 PolarHBondContact OD1-N 3.28Å; N372-Q375 VanDerWaalsContact OD1-N 3.08Å; Q375-L377 PolarHBondContact O-N 2.67Å; Q375-K378 WeakPolarHBondContact O-CB 3.29Å; Q375-K378 PolarHBondContact O-N 3.26Å; Q375-K378 VanDerWaalsContact O-N 3.08Å |
| 376 | L | 97.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -50 | -39.9 | 175.8 | 177.6 | 60.7 | 0 | 0 | 0 | 112 | A368 N370 N372 K373 W384 A389 Q391 | A368-L376 HydrophobicContact CB-CD1 3.64Å; A368-L376 WeakPolarHBondContact O-CD1 3.5Å; N370-L376 HydrophobicContact CB-CB 3.99Å; N370-L376 HydrophobicContact CB-CD1 4.08Å; N372-L376 WeakPolarHBondContact O-CB 3.43Å; N372-L376 PolarHBondContact O-N 3.4Å; K373-L376 WeakPolarHBondContact O-CB 3.44Å; L376-W384 WeakPolarHBondContact O-CH2 3.47Å; L376-A389 HydrophobicContact CD1-CB 4.47Å; L376-A389 HydrophobicContact CD2-CB 4.14Å; L376-A389 HydrophobicContact CG-CB 4.34Å; L376-Q391 HydrophobicContact CD2-CB 4.3Å |
| 377 | L | 96.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 14.1 | -175.8 | -57.9 | 177.3 | 0 | 0 | 0 | 112.5 | K373 Q375 N379 S380 P386 A389 | K373-L377 HydrophobicContact CG-CD1 4.43Å; K373-L377 PolarHBondContact O-N 3.01Å; Q375-L377 PolarHBondContact O-N 2.67Å; L377-N379 PolarHBondContact O-N 2.98Å; L377-N379 VanDerWaalsContact O-N 3.15Å; L377-S380 WeakPolarHBondContact O-CB 3.17Å; L377-S380 PolarHBondContact O-N 3.23Å; L377-S380 PolarHBondContact O-OG 3.03Å; L377-S380 VanDerWaalsContact O-OG 3.07Å; L377-P386 HydrophobicContact CD2-CG 4.09Å; L377-A389 HydrophobicContact CD2-CB 4.19Å |
| 378 | K | 96.2 | Very high | 95.3 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 122.4 | -175.9 | -168.7 | 76.2 | 177.2 | -174 | 0 | 110.1 | V349 S374 Q375 S380 W384 | V349-K378 HydrophobicContact CG1-CB 3.87Å; V349-K378 HydrophobicContact CG1-CG 4.12Å; S374-K378 PolarHBondContact O-N 2.87Å; Q375-K378 WeakPolarHBondContact O-CB 3.29Å; Q375-K378 PolarHBondContact O-N 3.26Å; Q375-K378 VanDerWaalsContact O-N 3.08Å; K378-S380 PolarHBondContact O-N 2.89Å; K378-W384 WeakPolarHBondContact O-CZ2 3.49Å; K378-W384 PolarHBondContact O-NE1 3.28Å |
| 379 | N | 95.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 14.5 | -176.9 | -51.4 | -51.7 | 0 | 0 | 0 | 114.5 | C350 L377 W384 | C350-N379 PolarHBondContact O-ND2 3.43Å; L377-N379 PolarHBondContact O-N 2.98Å; L377-N379 VanDerWaalsContact O-N 3.15Å; N379-W384 VanDerWaalsContact C-NE1 3.34Å; N379-W384 VanDerWaalsContact O-CD1 3.31Å; N379-W384 PolarHBondContact O-NE1 3.48Å |
| 380 | S | 94.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 163 | 173 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | L377 K378 M382 W384 | L377-S380 WeakPolarHBondContact O-CB 3.17Å; L377-S380 PolarHBondContact O-N 3.23Å; L377-S380 PolarHBondContact O-OG 3.03Å; L377-S380 VanDerWaalsContact O-OG 3.07Å; K378-S380 PolarHBondContact O-N 2.89Å; S380-M382 PolarHBondContact O-N 3.14Å; S380-W384 CarbonylContact C-O 3.53Å; S380-W384 WeakPolarHBondContact CA-O 3.29Å |
| 381 | D | 91.4 | Very high | 95.3 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | -7.5 | 178.4 | -55.2 | -78.9 | 0 | 0 | 0 | 115.3 | W384 K385 | D381-W384 PolarHBondContact N-O 3.47Å; D381-K385 VanDerWaalsContact OD1-CD 3.26Å; D381-K385 WeakPolarHBondContact OD1-CD 3.36Å; D381-K385 WeakPolarHBondContact OD1-CE 3.33Å; D381-K385 IonicContact OD1-NZ 3.63Å; D381-K385 PolarHBondContact OD1-NZ 2.98Å |
| 382 | M | 85.3 | Confident | 95.4 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -56.9 | 171 | -172.8 | 155 | 62.4 | 0 | 0 | 112.1 | S380 | S380-M382 PolarHBondContact O-N 3.14Š|
| 383 | F | 84.4 | Confident | 95.4 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -22 | -177.1 | -56.8 | -57.6 | 0 | 0 | 0 | 113.9 | R358 | R358-F383 HydrophobicContact CG-CB 3.8Å; R358-F383 HydrophobicContact CG-CD1 3.74Å; R358-F383 HydrophobicContact CG-CD2 3.68Å; R358-F383 HydrophobicContact CG-CE1 4.26Å; R358-F383 HydrophobicContact CG-CE2 4.18Å; R358-F383 HydrophobicContact CG-CG 3.45Å; R358-F383 VanDerWaalsContact CG-CG 3.45Å; R358-F383 HydrophobicContact CG-CZ 4.48Å; R358-F383 VanDerWaalsContact NE-CE2 3.3Å; R358-F383 VanDerWaalsContact NE-CZ 3.27Å; R358-F383 VanDerWaalsContact NH2-CZ 3.3Å |
| 384 | W | 94.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 50 Ų | 50 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -149.7 | 158.3 | -176.7 | 71.3 | -76.7 | 0 | 0 | 0 | 109.5 | L345 C350 L360 I366 A368 L376 K378 N379 S380 D381 P386 | L345-W384 HydrophobicContact CD1-CE3 4.35Å; L345-W384 HydrophobicContact CD1-CH2 4.11Å; L345-W384 HydrophobicContact CD1-CZ3 3.85Å; C350-W384 HydrophobicContact CB-CZ2 3.75Å; C350-W384 VanDerWaalsContact SG-CZ2 3.55Å; L360-W384 HydrophobicContact CD1-CB 3.93Å; L360-W384 HydrophobicContact CD1-CD2 4.21Å; L360-W384 HydrophobicContact CD1-CE3 4.22Å; L360-W384 HydrophobicContact CD1-CG 4.11Å; I366-W384 HydrophobicContact CD1-CB 4.24Å; I366-W384 HydrophobicContact CD1-CE3 4.09Å; I366-W384 HydrophobicContact CG2-CE3 3.99Å; I366-W384 HydrophobicContact CG2-CZ3 3.88Å; A368-W384 HydrophobicContact CB-CH2 4.38Å; A368-W384 HydrophobicContact CB-CZ3 4.32Å; L376-W384 WeakPolarHBondContact O-CH2 3.47Å; K378-W384 WeakPolarHBondContact O-CZ2 3.49Å; K378-W384 PolarHBondContact O-NE1 3.28Å; N379-W384 VanDerWaalsContact C-NE1 3.34Å; N379-W384 VanDerWaalsContact O-CD1 3.31Å; N379-W384 PolarHBondContact O-NE1 3.48Å; S380-W384 CarbonylContact C-O 3.53Å; S380-W384 WeakPolarHBondContact CA-O 3.29Å; D381-W384 PolarHBondContact N-O 3.47Å; W384-P386 HydrophobicContact CZ3-CB 4.19Å; W384-P386 HydrophobicContact CZ3-CG 4.37Å |
| 385 | K | 95.4 | Very high | 95.5 | Very high | 135 Ų | 135 | 46.1 Ų | 46.1 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | trans | -143.8 | 128.9 | 177 | -173.5 | 170.7 | -173.1 | 147.3 | 0 | 110.6 | D381 T387 | D381-K385 VanDerWaalsContact OD1-CD 3.26Å; D381-K385 WeakPolarHBondContact OD1-CD 3.36Å; D381-K385 WeakPolarHBondContact OD1-CE 3.33Å; D381-K385 IonicContact OD1-NZ 3.63Å; D381-K385 PolarHBondContact OD1-NZ 2.98Å; K385-T387 PolarHBondContact O-N 3.29Å | ||
| 386 | P | 96.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 14% | 0.143 | 23% | 0.227 | C | C | . | . | trans | -65.3 | 135.1 | 175.4 | 27.3 | -33.2 | 0 | 0 | 0 | 110.3 | I366 A368 L377 W384 A389 | I366-P386 CarbonylContact O-C 3.39Å; A368-P386 HydrophobicContact CB-CB 4.22Å; L377-P386 HydrophobicContact CD2-CG 4.09Å; W384-P386 HydrophobicContact CZ3-CB 4.19Å; W384-P386 HydrophobicContact CZ3-CG 4.37Å; P386-A389 HydrophobicContact CB-CB 3.97Å; P386-A389 HydrophobicContact CG-CB 3.86Å | ||
| 387 | T | 97.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -71.9 | -43.5 | 164.2 | -54.7 | 0 | 0 | 0 | 0 | 110 | L274 K365 I366 K385 | L274-T387 HydrophobicContact CD1-CG2 3.89Å; K365-T387 HydrophobicContact CD-CG2 4.14Å; I366-T387 PolarHBondContact N-OG1 2.93Å; I366-T387 VanDerWaalsContact N-OG1 3.17Å; I366-T387 WeakPolarHBondContact O-CA 3.48Å; I366-T387 WeakPolarHBondContact O-CB 3.29Å; I366-T387 PolarHBondContact O-N 3.3Å; K385-T387 PolarHBondContact O-N 3.29Å |
| 388 | I | 98.4 | Very high | 95.6 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.1 | 171 | -56.4 | -178 | 0 | 0 | 0 | 107.6 | L274 I366 I367 A368 I390 | L274-I388 HydrophobicContact CD1-CD1 3.56Å; L274-I388 HydrophobicContact CD1-CG1 3.92Å; L274-I388 HydrophobicContact CG-CD1 4.48Å; I366-I388 PolarHBondContact O-N 2.95Å; I367-I388 WeakPolarHBondContact CA-O 3.35Å; A368-I388 PolarHBondContact N-O 3.47Å; I388-I390 HydrophobicContact CG2-CD1 4.1Å; I388-I390 HydrophobicContact CG2-CG1 3.82Å |
| 389 | A | 98.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L376 L377 P386 | L376-A389 HydrophobicContact CD1-CB 4.47Å; L376-A389 HydrophobicContact CD2-CB 4.14Å; L376-A389 HydrophobicContact CG-CB 4.34Å; L377-A389 HydrophobicContact CD2-CB 4.19Å; P386-A389 HydrophobicContact CB-CB 3.97Å; P386-A389 HydrophobicContact CG-CB 3.86Å |
| 390 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115 | -175.2 | -56.4 | 178.7 | 0 | 0 | 0 | 108.6 | A263 Q267 A368 V369 N370 I388 G392 F397 | A263-I390 HydrophobicContact CB-CD1 4.45Å; A263-I390 HydrophobicContact CB-CG2 3.59Å; Q267-I390 HydrophobicContact CB-CD1 3.95Å; Q267-I390 HydrophobicContact CB-CG1 4.21Å; Q267-I390 HydrophobicContact CG-CG1 4.37Å; A368-I390 PolarHBondContact O-N 3.41Å; V369-I390 WeakPolarHBondContact CA-O 3.32Å; V369-I390 HydrophobicContact CB-CB 4.46Å; V369-I390 HydrophobicContact CG1-CB 4.21Å; V369-I390 HydrophobicContact CG1-CG2 4.19Å; V369-I390 HydrophobicContact CG2-CB 4.09Å; V369-I390 HydrophobicContact CG2-CD1 4.11Å; V369-I390 HydrophobicContact CG2-CG1 4.43Å; N370-I390 PolarHBondContact N-O 2.89Å; N370-I390 VanDerWaalsContact N-O 3.12Å; I388-I390 HydrophobicContact CG2-CD1 4.1Å; I388-I390 HydrophobicContact CG2-CG1 3.82Å; I390-G392 PolarHBondContact O-N 2.7Å; I390-G392 VanDerWaalsContact O-N 3.17Å; I390-F397 HydrophobicContact CD1-CD2 3.91Å; I390-F397 HydrophobicContact CD1-CE2 3.41Å; I390-F397 VanDerWaalsContact CD1-CE2 3.41Å; I390-F397 HydrophobicContact CD1-CZ 4.03Å |
| 391 | Q | 98.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 37.5 Ų | 37.5 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 93 | 165.6 | -172.3 | -178.5 | -1.8 | 0 | 0 | 108.4 | P261 N370 R371 L376 | P261-Q391 HydrophobicContact CB-CG 4.47Å; N370-Q391 VanDerWaalsContact O-CA 3.29Å; N370-Q391 WeakPolarHBondContact O-CA 3.33Å; R371-Q391 WeakPolarHBondContact O-CG 3.36Å; R371-Q391 PolarHBondContact O-NE2 2.91Å; R371-Q391 VanDerWaalsContact O-NE2 3.16Å; L376-Q391 HydrophobicContact CD2-CB 4.3Å |
| 392 | G | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -164.8 | 167.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | P261 N370 R371 I390 A394 | P261-G392 CarbonylContact O-C 3.49Å; P261-G392 WeakPolarHBondContact O-CA 3.25Å; N370-G392 CarbonylContact C-O 3.56Å; N370-G392 VanDerWaalsContact C-O 3.28Å; N370-G392 PolarHBondContact O-N 2.96Å; N370-G392 VanDerWaalsContact O-N 3.16Å; R371-G392 PolarHBondContact N-O 2.87Å; I390-G392 PolarHBondContact O-N 2.7Å; I390-G392 VanDerWaalsContact O-N 3.17Å; G392-A394 PolarHBondContact O-N 3.4Å |
| 393 | D | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -66.5 | 121.6 | 174.4 | 176.9 | -133.2 | 0 | 0 | 0 | 112.1 | I260 P261 R371 G395 S396 F397 | I260-D393 HydrophobicContact CG2-CB 4.05Å; P261-D393 PolarHBondContact O-N 2.88Å; R371-D393 IonicContact CZ-OD2 2.61Å; R371-D393 VanDerWaalsContact CZ-OD2 3.24Å; R371-D393 IonicContact NE-OD2 3.75Å; R371-D393 PolarHBondContact NE-OD2 3.39Å; R371-D393 IonicContact NH2-OD1 3.24Å; R371-D393 IonicContact NH2-OD2 3.04Å; R371-D393 PolarHBondContact NH2-OD2 3.13Å; D393-G395 PolarHBondContact OD2-N 2.94Å; D393-S396 WeakPolarHBondContact OD1-CB 3.34Å; D393-S396 PolarHBondContact OD1-N 2.77Å; D393-S396 PolarHBondContact OD1-OG 3.16Å; D393-F397 VanDerWaalsContact O-CB 3.25Å; D393-F397 WeakPolarHBondContact O-CB 3.41Å; D393-F397 PolarHBondContact O-N 3.5Å | ||
| 394 | A | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A289 A346 G392 F397 I398 | A289-A394 HydrophobicContact CB-CB 4.5Å; A346-A394 HydrophobicContact CB-CB 4.36Å; G392-A394 PolarHBondContact O-N 3.4Å; A394-F397 PolarHBondContact O-N 2.97Å; A394-I398 VanDerWaalsContact O-CG1 3.26Å; A394-I398 WeakPolarHBondContact O-CG1 3.26Å; A394-I398 PolarHBondContact O-N 3.21Å |
| 395 | G | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -51.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I299 D393 F397 I398 V399 | I299-G395 VanDerWaalsContact CD1-CA 3.41Å; D393-G395 PolarHBondContact OD2-N 2.94Å; G395-F397 VanDerWaalsContact C-N 3.3Å; G395-F397 PolarHBondContact O-N 2.99Å; G395-I398 PolarHBondContact O-N 3.26Å; G395-V399 PolarHBondContact O-N 2.83Å |
| 396 | S | 96.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 112 | T294 D393 V399 R400 | T294-S396 WeakPolarHBondContact OG1-CA 3.31Å; T294-S396 PolarHBondContact OG1-N 2.76Å; T294-S396 PolarHBondContact OG1-OG 3.4Å; D393-S396 WeakPolarHBondContact OD1-CB 3.34Å; D393-S396 PolarHBondContact OD1-N 2.77Å; D393-S396 PolarHBondContact OD1-OG 3.16Å; S396-V399 PolarHBondContact O-N 3.27Å; S396-R400 WeakPolarHBondContact O-CG 3.44Å; S396-R400 PolarHBondContact O-N 3.13Å; S396-R400 VanDerWaalsContact O-N 3.12Å |
| 397 | F | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | 175.9 | 172.9 | -96.1 | 0 | 0 | 0 | 112.2 | A263 V268 C271 L344 I367 V369 I390 D393 A394 G395 V399 R400 L401 | A263-F397 HydrophobicContact CB-CD2 3.92Å; V268-F397 HydrophobicContact CG2-CD2 4.03Å; V268-F397 HydrophobicContact CG2-CE2 4.11Å; C271-F397 HydrophobicContact CB-CE2 4.2Å; C271-F397 HydrophobicContact CB-CZ 3.82Å; L344-F397 HydrophobicContact CD1-CE1 3.85Å; L344-F397 HydrophobicContact CD2-CE1 4.24Å; I367-F397 HydrophobicContact CG2-CZ 4.23Å; V369-F397 HydrophobicContact CB-CD1 4.38Å; V369-F397 HydrophobicContact CG1-CB 4.04Å; V369-F397 HydrophobicContact CG1-CD1 4.37Å; V369-F397 HydrophobicContact CG1-CG 4.13Å; V369-F397 HydrophobicContact CG2-CD1 3.65Å; V369-F397 HydrophobicContact CG2-CD2 4.35Å; V369-F397 HydrophobicContact CG2-CE1 3.68Å; V369-F397 HydrophobicContact CG2-CE2 4.38Å; V369-F397 HydrophobicContact CG2-CG 3.99Å; V369-F397 HydrophobicContact CG2-CZ 4.06Å; I390-F397 HydrophobicContact CD1-CD2 3.91Å; I390-F397 HydrophobicContact CD1-CE2 3.41Å; I390-F397 VanDerWaalsContact CD1-CE2 3.41Å; I390-F397 HydrophobicContact CD1-CZ 4.03Å; D393-F397 VanDerWaalsContact O-CB 3.25Å; D393-F397 WeakPolarHBondContact O-CB 3.41Å; D393-F397 PolarHBondContact O-N 3.5Å; A394-F397 PolarHBondContact O-N 2.97Å; G395-F397 VanDerWaalsContact C-N 3.3Å; G395-F397 PolarHBondContact O-N 2.99Å; F397-V399 VanDerWaalsContact C-N 3.3Å; F397-V399 PolarHBondContact O-N 3.23Å; F397-R400 PolarHBondContact O-N 3.1Å; F397-R400 VanDerWaalsContact O-N 3.16Å; F397-L401 HydrophobicContact CE1-CB 4.37Å; F397-L401 HydrophobicContact CE1-CD2 3.88Å; F397-L401 HydrophobicContact CZ-CB 4.47Å; F397-L401 HydrophobicContact CZ-CD2 4.2Å; F397-L401 WeakPolarHBondContact O-CB 3.5Å; F397-L401 PolarHBondContact O-N 3.18Å |
| 398 | I | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 179.7 | -71.2 | -70 | 0 | 0 | 0 | 111.3 | L285 I299 A303 L304 L307 L344 A346 A394 G395 L401 S402 | L285-I398 HydrophobicContact CD1-CG1 4.44Å; I299-I398 HydrophobicContact CG2-CB 4.49Å; I299-I398 HydrophobicContact CG2-CG2 3.99Å; A303-I398 HydrophobicContact CB-CG2 3.71Å; L304-I398 HydrophobicContact CD2-CG2 3.97Å; L304-I398 HydrophobicContact CG-CG2 4.39Å; L307-I398 HydrophobicContact CD1-CG2 4.42Å; L344-I398 HydrophobicContact CD2-CD1 3.52Å; A346-I398 HydrophobicContact CB-CD1 4.09Å; A346-I398 HydrophobicContact CB-CG1 4.23Å; A394-I398 VanDerWaalsContact O-CG1 3.26Å; A394-I398 WeakPolarHBondContact O-CG1 3.26Å; A394-I398 PolarHBondContact O-N 3.21Å; G395-I398 PolarHBondContact O-N 3.26Å; I398-L401 PolarHBondContact O-N 3.01Å; I398-S402 WeakPolarHBondContact O-CB 3.34Å; I398-S402 PolarHBondContact O-N 3.08Å |
| 399 | V | 96 | Very high | 94.4 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | T294 I299 A303 G395 S396 F397 S402 K403 | T294-V399 HydrophobicContact CG2-CG2 3.81Å; I299-V399 HydrophobicContact CG1-CG2 4.17Å; A303-V399 HydrophobicContact CB-CG2 4.06Å; G395-V399 PolarHBondContact O-N 2.83Å; S396-V399 PolarHBondContact O-N 3.27Å; F397-V399 VanDerWaalsContact C-N 3.3Å; F397-V399 PolarHBondContact O-N 3.23Å; V399-S402 PolarHBondContact O-N 2.91Å; V399-K403 HydrophobicContact CG1-CD 4.45Å; V399-K403 WeakPolarHBondContact O-CG 3.19Å; V399-K403 PolarHBondContact O-N 3.41Å; V399-K403 VanDerWaalsContact O-N 3.1Å |
| 400 | R | 96.5 | Very high | 93.7 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.1 | -74 | 174 | 66.5 | -159.1 | -1.1 | 112.2 | A263 T264 D265 V268 S396 F397 K403 G404 | A263-R400 PolarHBondContact O-NH1 3.38Å; T264-R400 PolarHBondContact O-NH2 3.37Å; D265-R400 IonicContact OD1-CZ 2.65Å; D265-R400 IonicContact OD1-NH2 3.79Å; D265-R400 PolarHBondContact OD1-NH2 3.34Å; V268-R400 HydrophobicContact CG1-CB 4.23Å; V268-R400 HydrophobicContact CG2-CB 4.43Å; S396-R400 WeakPolarHBondContact O-CG 3.44Å; S396-R400 PolarHBondContact O-N 3.13Å; S396-R400 VanDerWaalsContact O-N 3.12Å; F397-R400 PolarHBondContact O-N 3.1Å; F397-R400 VanDerWaalsContact O-N 3.16Å; R400-K403 PolarHBondContact O-N 2.97Å; R400-G404 PolarHBondContact O-N 3.44Å; R400-G404 VanDerWaalsContact O-N 3.08Å |
| 401 | L | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 175.3 | -177.5 | 64.5 | 0 | 0 | 0 | 111.1 | C271 I272 V275 L307 L344 F397 I398 K403 G404 L405 | C271-L401 HydrophobicContact CB-CD1 4.08Å; I272-L401 HydrophobicContact CG1-CD1 3.88Å; V275-L401 HydrophobicContact CG2-CD1 4.43Å; V275-L401 HydrophobicContact CG2-CD2 4.46Å; L307-L401 HydrophobicContact CD2-CG 4.41Å; L344-L401 HydrophobicContact CD2-CD2 3.79Å; F397-L401 HydrophobicContact CE1-CB 4.37Å; F397-L401 HydrophobicContact CE1-CD2 3.88Å; F397-L401 HydrophobicContact CZ-CB 4.47Å; F397-L401 HydrophobicContact CZ-CD2 4.2Å; F397-L401 WeakPolarHBondContact O-CB 3.5Å; F397-L401 PolarHBondContact O-N 3.18Å; I398-L401 PolarHBondContact O-N 3.01Å; L401-K403 PolarHBondContact O-N 3.4Å; L401-G404 PolarHBondContact O-N 3.12Å; L401-L405 HydrophobicContact CD1-CD1 3.76Å; L401-L405 HydrophobicContact CG-CD1 3.94Å; L401-L405 WeakPolarHBondContact O-CB 3.22Å; L401-L405 PolarHBondContact O-N 2.83Å; L401-L405 VanDerWaalsContact O-N 3.07Å |
| 402 | S | 95.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | D306 I398 V399 G404 L405 K406 | D306-S402 WeakPolarHBondContact CB-OG 3.35Å; I398-S402 WeakPolarHBondContact O-CB 3.34Å; I398-S402 PolarHBondContact O-N 3.08Å; V399-S402 PolarHBondContact O-N 2.91Å; S402-G404 VanDerWaalsContact C-N 3.33Å; S402-G404 PolarHBondContact O-N 2.54Å; S402-L405 CarbonylContact O-C 3.6Å; S402-L405 PolarHBondContact O-N 3.16Å; S402-L405 VanDerWaalsContact O-N 3.13Å; S402-K406 PolarHBondContact O-N 2.84Å |
| 403 | K | 94.8 | Very high | 92.7 | Very high | 153 Ų | 153 | 54.3 Ų | 54.3 | 67% | 0.665 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59 | -41.8 | 178.5 | -73.9 | 176.8 | -179.4 | -178.9 | 0 | 112.9 | V399 R400 L401 L405 K406 | V399-K403 HydrophobicContact CG1-CD 4.45Å; V399-K403 WeakPolarHBondContact O-CG 3.19Å; V399-K403 PolarHBondContact O-N 3.41Å; V399-K403 VanDerWaalsContact O-N 3.1Å; R400-K403 PolarHBondContact O-N 2.97Å; L401-K403 PolarHBondContact O-N 3.4Å; K403-L405 VanDerWaalsContact C-N 3.3Å; K403-K406 WeakPolarHBondContact O-CB 3.28Å; K403-K406 PolarHBondContact O-N 3Å |
| 404 | G | 95.5 | Very high | 92.5 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.3 | -22.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R400 L401 S402 | R400-G404 PolarHBondContact O-N 3.44Å; R400-G404 VanDerWaalsContact O-N 3.08Å; L401-G404 PolarHBondContact O-N 3.12Å; S402-G404 VanDerWaalsContact C-N 3.33Å; S402-G404 PolarHBondContact O-N 2.54Å |
| 405 | L | 94.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 22.1 | 176.9 | -71.8 | 168.4 | 0 | 0 | 0 | 112.5 | I272 V275 L307 L401 S402 K403 G407 H408 | I272-L405 HydrophobicContact CG1-CG 4.38Å; I272-L405 HydrophobicContact CG2-CD2 3.84Å; I272-L405 HydrophobicContact CG2-CG 4.18Å; V275-L405 HydrophobicContact CB-CD1 3.82Å; V275-L405 HydrophobicContact CG1-CD1 3.42Å; V275-L405 VanDerWaalsContact CG1-CD1 3.42Å; L307-L405 HydrophobicContact CD2-CB 4.11Å; L307-L405 HydrophobicContact CD2-CD1 3.66Å; L401-L405 HydrophobicContact CD1-CD1 3.76Å; L401-L405 HydrophobicContact CG-CD1 3.94Å; L401-L405 WeakPolarHBondContact O-CB 3.22Å; L401-L405 PolarHBondContact O-N 2.83Å; L401-L405 VanDerWaalsContact O-N 3.07Å; S402-L405 CarbonylContact O-C 3.6Å; S402-L405 PolarHBondContact O-N 3.16Å; S402-L405 VanDerWaalsContact O-N 3.13Å; K403-L405 VanDerWaalsContact C-N 3.3Å; L405-G407 PolarHBondContact O-N 3.5Å; L405-G407 VanDerWaalsContact O-N 3.14Å; L405-H408 HydrophobicContact CB-CB 4.09Å; L405-H408 HydrophobicContact CD2-CB 4.14Å; L405-H408 WeakPolarHBondContact O-CB 3.33Å; L405-H408 PolarHBondContact O-N 3.14Å |
| 406 | K | 88.6 | Confident | 92.3 | Very high | 193 Ų | 193 | 61.1 Ų | 61.1 | 84% | 0.839 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 123.1 | -178.5 | -171.7 | 177.2 | -178.2 | -178.6 | 0 | 110.8 | S402 K403 H408 | S402-K406 PolarHBondContact O-N 2.84Å; K403-K406 WeakPolarHBondContact O-CB 3.28Å; K403-K406 PolarHBondContact O-N 3Å; K406-H408 VanDerWaalsContact C-N 3.29Å |
| 407 | G | 81.3 | Confident | 92.3 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 67% | 0.67 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -6.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L405 | L405-G407 PolarHBondContact O-N 3.5Å; L405-G407 VanDerWaalsContact O-N 3.14Å |
| 408 | H | 84.9 | Confident | 92.2 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | trans | -71.9 | 142.5 | 168 | -179 | 72.3 | 0 | 0 | 0 | 110.1 | S276 L405 K406 | S276-H408 PolarHBondContact O-CE1 2.89Å; L405-H408 HydrophobicContact CB-CB 4.09Å; L405-H408 HydrophobicContact CD2-CB 4.14Å; L405-H408 WeakPolarHBondContact O-CB 3.33Å; L405-H408 PolarHBondContact O-N 3.14Å; K406-H408 VanDerWaalsContact C-N 3.29Å | ||
| 409 | R | 81.7 | Confident | 92.1 | Very high | 140 Ų | 140 | 66.7 Ų | 66.7 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | trans | -137.1 | 136.7 | 172.6 | -66.6 | -68 | -179.6 | -101.8 | 14.4 | 107.6 | D306 | D306-R409 PolarHBondContact O-NH1 3.04Š| ||
| 410 | C | 84.6 | Confident | 92.1 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.054 | 36% | 0.357 | C | S | . | . | trans | -68.9 | 158 | 168.8 | 89.7 | 0 | 0 | 0 | 0 | 109.5 | P281 E412 P415 | P281-C410 HydrophobicContact CG-CB 3.95Å; C410-E412 PolarHBondContact O-N 3.02Å; C410-P415 WeakPolarHBondContact SG-CD 2.89Å; C410-P415 WeakPolarHBondContact SG-CG 3.14Å | ||
| 411 | P | 88.8 | Confident | 92 | Very high | 61 Ų | 61 | 66 Ų | 66 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | trans | -53 | 125.7 | 175 | -24.9 | 34.4 | 0 | 0 | 0 | 111 | E413 W414 P415 | P411-E413 PolarHBondContact O-N 3.48Å; P411-W414 PolarHBondContact O-N 3.15Å; P411-W414 VanDerWaalsContact O-N 3.08Å; P411-P415 WeakPolarHBondContact O-CD 3.4Å | ||
| 412 | E | 89.7 | Confident | 91.9 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.3 | -172.6 | -69 | -172.5 | 174.7 | 0 | 0 | 113.2 | C410 W414 P415 Q416 | C410-E412 PolarHBondContact O-N 3.02Å; E412-W414 PolarHBondContact O-N 3.43Å; E412-P415 WeakPolarHBondContact O-CD 3.34Å; E412-Q416 WeakPolarHBondContact O-CB 3.36Å; E412-Q416 WeakPolarHBondContact O-CG 3.48Å; E412-Q416 PolarHBondContact O-N 2.92Å |
| 413 | E | 93.9 | Very high | 91.8 | Very high | 160 Ų | 160 | 68.3 Ų | 68.3 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -56.1 | -34.4 | 177.8 | -64.2 | 179.5 | 179.1 | 0 | 0 | 112.3 | P411 S417 | P411-E413 PolarHBondContact O-N 3.48Å; E413-S417 VanDerWaalsContact O-CB 3.24Å; E413-S417 WeakPolarHBondContact O-CB 3.14Å; E413-S417 PolarHBondContact O-N 3.42Å; E413-S417 PolarHBondContact O-OG 3.15Å |
| 414 | W | 95 | Very high | 91.9 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 4% | 0.038 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.5 | -59.7 | -175.5 | 174 | -119.9 | 0 | 0 | 0 | 112.6 | K280 P281 V282 E339 P411 E412 Q416 S417 L418 | K280-W414 HydrophobicContact CB-CD2 3.91Å; K280-W414 HydrophobicContact CB-CE3 4.4Å; K280-W414 HydrophobicContact CB-CG 4.26Å; K280-W414 HydrophobicContact CB-CH2 4.44Å; K280-W414 HydrophobicContact CB-CZ2 3.94Å; K280-W414 HydrophobicContact CD-CD2 4.26Å; K280-W414 HydrophobicContact CD-CE3 3.91Å; K280-W414 HydrophobicContact CD-CH2 4.15Å; K280-W414 HydrophobicContact CD-CZ2 4.47Å; K280-W414 HydrophobicContact CD-CZ3 3.87Å; K280-W414 HydrophobicContact CG-CD2 3.79Å; K280-W414 HydrophobicContact CG-CE3 3.92Å; K280-W414 HydrophobicContact CG-CG 4.15Å; K280-W414 HydrophobicContact CG-CZ2 4.44Å; K280-W414 HydrophobicContact CG-CZ3 4.32Å; P281-W414 PolarHBondContact O-NE1 3.39Å; V282-W414 HydrophobicContact CG1-CZ2 4.01Å; E339-W414 HydrophobicContact CB-CH2 3.83Å; E339-W414 HydrophobicContact CB-CZ3 4.39Å; P411-W414 PolarHBondContact O-N 3.15Å; P411-W414 VanDerWaalsContact O-N 3.08Å; E412-W414 PolarHBondContact O-N 3.43Å; W414-Q416 VanDerWaalsContact C-N 3.26Å; W414-Q416 PolarHBondContact O-N 3.33Å; W414-S417 PolarHBondContact O-N 2.63Å; W414-S417 PolarHBondContact O-OG 2.61Å; W414-L418 HydrophobicContact CD2-CD1 4.24Å; W414-L418 HydrophobicContact CD2-CG 4.25Å; W414-L418 HydrophobicContact CE3-CG 4.25Å; W414-L418 HydrophobicContact CH2-CD1 4.13Å; W414-L418 HydrophobicContact CH2-CD2 3.64Å; W414-L418 HydrophobicContact CH2-CG 4.01Å; W414-L418 HydrophobicContact CZ2-CD1 3.63Å; W414-L418 HydrophobicContact CZ2-CD2 4.02Å; W414-L418 HydrophobicContact CZ2-CG 4.01Å; W414-L418 HydrophobicContact CZ3-CD2 3.92Å; W414-L418 HydrophobicContact CZ3-CG 4.12Å; W414-L418 PolarHBondContact O-N 3.04Å; W414-L418 VanDerWaalsContact O-N 3.12Å |
| 415 | P | 94.2 | Very high | 91.7 | Very high | 18 Ų | 18 | 68 Ų | 68 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -53.5 | -41.9 | 172.7 | -23.3 | 30.7 | 0 | 0 | 0 | 113.1 | P310 C410 P411 E412 L418 K419 | P310-P415 HydrophobicContact CG-CB 3.91Å; P310-P415 HydrophobicContact CG-CG 3.78Å; C410-P415 WeakPolarHBondContact SG-CD 2.89Å; C410-P415 WeakPolarHBondContact SG-CG 3.14Å; P411-P415 WeakPolarHBondContact O-CD 3.4Å; E412-P415 WeakPolarHBondContact O-CD 3.34Å; P415-L418 PolarHBondContact O-N 3.09Å; P415-K419 VanDerWaalsContact O-CB 3.31Å; P415-K419 WeakPolarHBondContact O-CB 3.4Å; P415-K419 PolarHBondContact O-N 3.31Å |
| 416 | Q | 94.8 | Very high | 91.6 | Very high | 116 Ų | 116 | 68.5 Ų | 68.5 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.1 | -72.5 | 173.7 | 2.4 | 0 | 0 | 111.9 | E412 W414 L418 K419 A420 | E412-Q416 WeakPolarHBondContact O-CB 3.36Å; E412-Q416 WeakPolarHBondContact O-CG 3.48Å; E412-Q416 PolarHBondContact O-N 2.92Å; W414-Q416 VanDerWaalsContact C-N 3.26Å; W414-Q416 PolarHBondContact O-N 3.33Å; Q416-L418 PolarHBondContact O-N 3.21Å; Q416-K419 PolarHBondContact O-N 3.16Å; Q416-A420 WeakPolarHBondContact O-CB 3.21Å; Q416-A420 PolarHBondContact O-N 3.18Å |
| 417 | S | 95.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.3 | 73 | 0 | 0 | 0 | 0 | 112.5 | E413 W414 K419 A420 G421 | E413-S417 VanDerWaalsContact O-CB 3.24Å; E413-S417 WeakPolarHBondContact O-CB 3.14Å; E413-S417 PolarHBondContact O-N 3.42Å; E413-S417 PolarHBondContact O-OG 3.15Å; W414-S417 PolarHBondContact O-N 2.63Å; W414-S417 PolarHBondContact O-OG 2.61Å; S417-K419 VanDerWaalsContact C-N 3.32Å; S417-K419 PolarHBondContact O-N 3.01Å; S417-A420 PolarHBondContact O-N 3.1Å; S417-G421 PolarHBondContact O-N 3.3Å; S417-G421 VanDerWaalsContact O-N 3.12Å |
| 418 | L | 96.7 | Very high | 92.4 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177.3 | -69.7 | -175.7 | 0 | 0 | 0 | 110.7 | V282 P310 I329 A336 W414 P415 Q416 G421 D422 | V282-L418 HydrophobicContact CG1-CD1 4.32Å; P310-L418 HydrophobicContact CB-CD1 3.67Å; P310-L418 HydrophobicContact CG-CD1 3.92Å; I329-L418 HydrophobicContact CD1-CB 3.8Å; I329-L418 HydrophobicContact CG1-CB 4.04Å; I329-L418 HydrophobicContact CG1-CD1 4.33Å; I329-L418 HydrophobicContact CG2-CB 4.44Å; A336-L418 HydrophobicContact CB-CD1 4.37Å; A336-L418 HydrophobicContact CB-CD2 3.75Å; W414-L418 HydrophobicContact CD2-CD1 4.24Å; W414-L418 HydrophobicContact CD2-CG 4.25Å; W414-L418 HydrophobicContact CE3-CG 4.25Å; W414-L418 HydrophobicContact CH2-CD1 4.13Å; W414-L418 HydrophobicContact CH2-CD2 3.64Å; W414-L418 HydrophobicContact CH2-CG 4.01Å; W414-L418 HydrophobicContact CZ2-CD1 3.63Å; W414-L418 HydrophobicContact CZ2-CD2 4.02Å; W414-L418 HydrophobicContact CZ2-CG 4.01Å; W414-L418 HydrophobicContact CZ3-CD2 3.92Å; W414-L418 HydrophobicContact CZ3-CG 4.12Å; W414-L418 PolarHBondContact O-N 3.04Å; W414-L418 VanDerWaalsContact O-N 3.12Å; P415-L418 PolarHBondContact O-N 3.09Å; Q416-L418 PolarHBondContact O-N 3.21Å; L418-G421 PolarHBondContact O-N 3.32Å; L418-D422 WeakPolarHBondContact O-CB 3.48Å; L418-D422 PolarHBondContact O-N 3.37Å |
| 419 | K | 95.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.6 | -35.1 | -179.9 | -164.8 | 62.5 | 178.6 | 169.1 | 0 | 113.1 | H328 I329 P415 Q416 S417 D422 S423 | H328-K419 PolarHBondContact O-NZ 3.13Å; I329-K419 HydrophobicContact CD1-CB 4.25Å; I329-K419 HydrophobicContact CD1-CD 4.04Å; P415-K419 VanDerWaalsContact O-CB 3.31Å; P415-K419 WeakPolarHBondContact O-CB 3.4Å; P415-K419 PolarHBondContact O-N 3.31Å; Q416-K419 PolarHBondContact O-N 3.16Å; S417-K419 VanDerWaalsContact C-N 3.32Å; S417-K419 PolarHBondContact O-N 3.01Å; K419-D422 HydrophobicContact CD-CB 4.41Å; K419-D422 IonicContact NZ-OD2 3.11Å; K419-D422 PolarHBondContact NZ-OD2 3.29Å; K419-D422 WeakPolarHBondContact O-CB 3.26Å; K419-D422 PolarHBondContact O-N 3.34Å; K419-S423 WeakPolarHBondContact O-CB 3.39Å; K419-S423 PolarHBondContact O-N 2.81Å; K419-S423 PolarHBondContact O-OG 3.01Å |
| 420 | A | 95.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q416 S417 S423 T424 | Q416-A420 WeakPolarHBondContact O-CB 3.21Å; Q416-A420 PolarHBondContact O-N 3.18Å; S417-A420 PolarHBondContact O-N 3.1Å; A420-S423 PolarHBondContact O-N 2.81Å; A420-T424 PolarHBondContact O-N 2.7Å; A420-T424 PolarHBondContact O-OG1 2.97Å |
| 421 | G | 95.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N332 S417 L418 K425 | N332-G421 PolarHBondContact ND2-O 2.91Å; N332-G421 VanDerWaalsContact ND2-O 3.09Å; S417-G421 PolarHBondContact O-N 3.3Å; S417-G421 VanDerWaalsContact O-N 3.12Å; L418-G421 PolarHBondContact O-N 3.32Å; G421-K425 PolarHBondContact O-N 3.25Å; G421-K425 VanDerWaalsContact O-N 3.13Å |
| 422 | D | 93.6 | Very high | 94 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.7 | -52.2 | 173.1 | -169.6 | 57.4 | 0 | 0 | 0 | 110.7 | I329 R330 Q331 L418 K419 T424 K425 E426 | I329-D422 HydrophobicContact CG2-CB 4.28Å; R330-D422 WeakPolarHBondContact CA-OD1 3.45Å; R330-D422 WeakPolarHBondContact CB-OD1 3.46Å; R330-D422 PolarHBondContact N-OD1 2.91Å; Q331-D422 PolarHBondContact N-OD1 2.85Å; L418-D422 WeakPolarHBondContact O-CB 3.48Å; L418-D422 PolarHBondContact O-N 3.37Å; K419-D422 HydrophobicContact CD-CB 4.41Å; K419-D422 IonicContact NZ-OD2 3.11Å; K419-D422 PolarHBondContact NZ-OD2 3.29Å; K419-D422 WeakPolarHBondContact O-CB 3.26Å; K419-D422 PolarHBondContact O-N 3.34Å; D422-T424 PolarHBondContact O-N 2.95Å; D422-K425 PolarHBondContact O-N 3.13Å; D422-E426 WeakPolarHBondContact O-CG 3.31Å; D422-E426 PolarHBondContact O-N 3.12Å |
| 423 | S | 94.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 56 Ų | 56 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | -178.6 | -53 | 0 | 0 | 0 | 0 | 112 | K419 A420 K425 E426 D427 | K419-S423 WeakPolarHBondContact O-CB 3.39Å; K419-S423 PolarHBondContact O-N 2.81Å; K419-S423 PolarHBondContact O-OG 3.01Å; A420-S423 PolarHBondContact O-N 2.81Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 PolarHBondContact O-N 3.06Å; S423-E426 PolarHBondContact O-N 2.83Å; S423-D427 PolarHBondContact O-N 3.26Å |
| 424 | T | 95.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 54.2 Ų | 54.2 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.3 | -41.9 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | A420 D422 A428 | A420-T424 PolarHBondContact O-N 2.7Å; A420-T424 PolarHBondContact O-OG1 2.97Å; D422-T424 PolarHBondContact O-N 2.95Å; T424-A428 WeakPolarHBondContact O-CB 3.25Å; T424-A428 PolarHBondContact O-N 2.95Å; T424-A428 VanDerWaalsContact O-N 3.14Å |
| 425 | K | 92.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.5 | -38 | 179.7 | -170.9 | 61.2 | 176.6 | -179.5 | 0 | 112 | Q331 G421 D422 S423 A428 N429 | Q331-K425 HydrophobicContact CB-CB 3.82Å; Q331-K425 HydrophobicContact CB-CG 3.79Å; Q331-K425 HydrophobicContact CG-CB 3.95Å; Q331-K425 HydrophobicContact CG-CG 3.82Å; G421-K425 PolarHBondContact O-N 3.25Å; G421-K425 VanDerWaalsContact O-N 3.13Å; D422-K425 PolarHBondContact O-N 3.13Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 PolarHBondContact O-N 3.06Å; K425-A428 PolarHBondContact O-N 2.86Å; K425-N429 WeakPolarHBondContact O-CB 3.26Å; K425-N429 PolarHBondContact O-N 2.92Å; K425-N429 PolarHBondContact O-ND2 2.85Å; K425-N429 PolarHBondContact O-OD1 2.83Å |
| 426 | E | 91.6 | Very high | 94 | Very high | 20 Ų | 20 | 67 Ų | 67 | 9% | 0.093 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.2 | -72.1 | -69.8 | 123.6 | 0 | 0 | 112 | Q331 D422 S423 N429 R430 R476 | Q331-E426 HydrophobicContact CG-CG 4.24Å; Q331-E426 VanDerWaalsContact CG-OE1 3.31Å; Q331-E426 WeakPolarHBondContact CG-OE1 3.42Å; Q331-E426 PolarHBondContact NE2-OE1 3.23Å; D422-E426 WeakPolarHBondContact O-CG 3.31Å; D422-E426 PolarHBondContact O-N 3.12Å; S423-E426 PolarHBondContact O-N 2.83Å; E426-N429 PolarHBondContact O-N 2.91Å; E426-R430 WeakPolarHBondContact O-CB 3.48Å; E426-R430 PolarHBondContact O-N 3.31Å; E426-R476 IonicContact OE2-CZ 2.71Å; E426-R476 IonicContact OE2-NH2 2.77Å; E426-R476 PolarHBondContact OE2-NH2 2.9Å |
| 427 | D | 94 | Very high | 94 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 57% | 0.572 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 177.8 | -69.5 | -23.4 | 0 | 0 | 0 | 111.3 | S423 N429 R430 A431 | S423-D427 PolarHBondContact O-N 3.26Å; D427-N429 VanDerWaalsContact C-N 3.33Å; D427-N429 PolarHBondContact O-N 3.27Å; D427-R430 PolarHBondContact O-N 2.92Å; D427-A431 PolarHBondContact O-N 2.71Å |
| 428 | A | 92.2 | Very high | 93.8 | Very high | 51 Ų | 51 | 67 Ų | 67 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T424 K425 | T424-A428 WeakPolarHBondContact O-CB 3.25Å; T424-A428 PolarHBondContact O-N 2.95Å; T424-A428 VanDerWaalsContact O-N 3.14Å; K425-A428 PolarHBondContact O-N 2.86Å |
| 429 | N | 90.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.064 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 176.3 | -69.9 | -14.3 | 0 | 0 | 0 | 111.4 | K425 E426 D427 K432 F621 | K425-N429 WeakPolarHBondContact O-CB 3.26Å; K425-N429 PolarHBondContact O-N 2.92Å; K425-N429 PolarHBondContact O-ND2 2.85Å; K425-N429 PolarHBondContact O-OD1 2.83Å; E426-N429 PolarHBondContact O-N 2.91Å; D427-N429 VanDerWaalsContact C-N 3.33Å; D427-N429 PolarHBondContact O-N 3.27Å; N429-K432 WeakPolarHBondContact O-CB 3.33Å; N429-K432 PolarHBondContact O-N 3.34Å; N429-F621 HydrophobicContact CB-CE2 3.85Å; N429-F621 HydrophobicContact CB-CZ 4.34Å |
| 430 | R | 93.2 | Very high | 93.7 | Very high | 105 Ų | 105 | 71.7 Ų | 71.7 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 177.9 | 178.6 | 174 | -80.5 | -87.7 | 4.9 | 111.8 | E426 D427 K432 A433 E452 | E426-R430 WeakPolarHBondContact O-CB 3.48Å; E426-R430 PolarHBondContact O-N 3.31Å; D427-R430 PolarHBondContact O-N 2.92Å; R430-K432 PolarHBondContact O-N 2.85Å; R430-A433 VanDerWaalsContact O-CB 3.24Å; R430-A433 WeakPolarHBondContact O-CB 3.4Å; R430-A433 PolarHBondContact O-N 3.24Å; R430-E452 IonicContact CZ-OE1 2.84Å; R430-E452 IonicContact NH1-OE1 2.71Å; R430-E452 PolarHBondContact NH1-OE1 3.19Å; R430-E452 IonicContact NH2-OE1 3.93Å; R430-E452 PolarHBondContact NH2-OE1 2.89Å |
| 431 | A | 95.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 69 Ų | 69 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.3 | -35.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D427 A433 N434 | D427-A431 PolarHBondContact O-N 2.71Å; A431-A433 PolarHBondContact O-N 3.47Å; A431-A433 VanDerWaalsContact O-N 3.17Å; A431-N434 PolarHBondContact O-N 2.73Å |
| 432 | K | 94.5 | Very high | 94 | Very high | 57 Ų | 57 | 68.3 Ų | 68.3 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -63 | -19.5 | 177.1 | -66.7 | -176.1 | 163.5 | -148.8 | 0 | 114 | N429 R430 N434 E435 N442 L444 N620 F621 | N429-K432 WeakPolarHBondContact O-CB 3.33Å; N429-K432 PolarHBondContact O-N 3.34Å; R430-K432 PolarHBondContact O-N 2.85Å; K432-N434 PolarHBondContact O-N 3.17Å; K432-E435 WeakPolarHBondContact O-CB 3.45Å; K432-E435 PolarHBondContact O-N 3.28Å; K432-N442 PolarHBondContact O-ND2 3.12Å; K432-L444 HydrophobicContact CB-CD1 3.67Å; K432-N620 PolarHBondContact NZ-OD1 3.02Å; K432-F621 HydrophobicContact CD-CD2 3.75Å; K432-F621 HydrophobicContact CD-CE2 4.48Å |
| 433 | A | 94.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -68.8 | -18.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R430 A431 L444 K445 | R430-A433 VanDerWaalsContact O-CB 3.24Å; R430-A433 WeakPolarHBondContact O-CB 3.4Å; R430-A433 PolarHBondContact O-N 3.24Å; A431-A433 PolarHBondContact O-N 3.47Å; A431-A433 VanDerWaalsContact O-N 3.17Å; A433-L444 HydrophobicContact CB-CB 3.91Å; A433-K445 HydrophobicContact CB-CB 4.3Å |
| 434 | N | 93.6 | Very high | 94.3 | Very high | 123 Ų | 123 | 66 Ų | 66 | 66% | 0.658 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -89.4 | -7.1 | 177.3 | -62.8 | -44.1 | 0 | 0 | 0 | 113.2 | A431 K432 | A431-N434 PolarHBondContact O-N 2.73Å; K432-N434 PolarHBondContact O-N 3.17Å |
| 435 | E | 93.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -69.3 | 137.1 | 176.6 | -65.7 | 175.4 | -167.6 | 0 | 0 | 110.3 | K432 N442 | K432-E435 WeakPolarHBondContact O-CB 3.45Å; K432-E435 PolarHBondContact O-N 3.28Å; E435-N442 PolarHBondContact O-ND2 3.4Å |
| 436 | K | 92.1 | Very high | 94.6 | Very high | 206 Ų | 206 | 60.3 Ų | 60.3 | 90% | 0.896 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 132 | 173.6 | -67.9 | -172.9 | 178.7 | -177.4 | 0 | 109.7 | ||
| 437 | T | 94.3 | Very high | 95 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 160.5 | 167.8 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | H439 H440 N442 R587 K618 T619 | T437-H439 WeakPolarHBondContact CB-O 3.26Å; T437-H439 PolarHBondContact OG1-O 2.85Å; T437-H440 PolarHBondContact OG1-O 3.37Å; T437-N442 HydrophobicContact CG2-CB 4.08Å; T437-R587 PolarHBondContact O-NH2 3.39Å; T437-R587 PolarHBondContact OG1-NH2 3.44Å; T437-R587 VanDerWaalsContact OG1-NH2 3.12Å; T437-K618 WeakPolarHBondContact CG2-O 3.19Å; T437-T619 HydrophobicContact CG2-CG2 4.04Å |
| 438 | E | 91.1 | Very high | 95.1 | Very high | 161 Ų | 161 | 55 Ų | 55 | 75% | 0.752 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -60.7 | -51 | 174.6 | -169.4 | 178.9 | -172.7 | 0 | 0 | 110.9 | R587 | E438-R587 PolarHBondContact O-NH1 2.88Å; E438-R587 PolarHBondContact O-NH2 2.99Å; E438-R587 VanDerWaalsContact O-NH2 3.16Å |
| 439 | H | 93.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -124.2 | 154 | 177.4 | -54.5 | -65.6 | 0 | 0 | 0 | 112 | T437 R587 G617 | T437-H439 WeakPolarHBondContact CB-O 3.26Å; T437-H439 PolarHBondContact OG1-O 2.85Å; H439-R587 PolarHBondContact O-NH2 3.34Å; H439-G617 WeakPolarHBondContact O-CA 3.43Å |
| 440 | H | 97.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 55 | -163.6 | 174.4 | -52.1 | -61.2 | 0 | 0 | 0 | 115.5 | T437 F568 R587 L615 | T437-H440 PolarHBondContact OG1-O 3.37Å; H440-F568 AromaticContact CD2-CZ 3.84Å; H440-F568 AromaticContact NE2-CE1 3.93Å; H440-F568 AromaticContact NE2-CE2 3.98Å; H440-F568 AromaticContact NE2-CZ 3.49Å; H440-F568 WeakPolarHBondContact NE2-CZ 3.24Å; H440-R587 VanDerWaalsContact O-CZ 3.28Å; H440-R587 PolarHBondContact O-NE 3.41Å; H440-R587 PolarHBondContact O-NH2 2.79Å; H440-L615 HydrophobicContact CB-CB 4.02Å; H440-L615 WeakPolarHBondContact CB-O 3.24Å |
| 441 | L | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 154.4 | -176.7 | -71.2 | 167.6 | 0 | 0 | 0 | 112.5 | P443 V446 V585 R586 E590 V614 L615 I616 G617 | L441-P443 WeakPolarHBondContact O-CD 3.37Å; L441-V446 HydrophobicContact CB-CG2 4.12Å; L441-V446 HydrophobicContact CD1-CG2 4.18Å; L441-V585 HydrophobicContact CD1-CG1 3.76Å; L441-R586 WeakPolarHBondContact CD1-O 3.48Å; L441-E590 HydrophobicContact CD2-CB 3.65Å; L441-E590 HydrophobicContact CD2-CG 3.79Å; L441-V614 HydrophobicContact CD1-CG1 3.68Å; L441-L615 WeakPolarHBondContact CB-O 3.34Å; L441-L615 PolarHBondContact N-O 3.35Å; L441-L615 VanDerWaalsContact N-O 3.15Å; L441-I616 CarbonylContact O-C 3.39Å; L441-I616 WeakPolarHBondContact O-CA 3.48Å; L441-G617 PolarHBondContact O-N 2.94Å |
| 442 | N | 97.6 | Very high | 96 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | trans | -71.7 | 119.1 | 167.9 | -174.4 | -41.7 | 0 | 0 | 0 | 109.7 | K432 E435 T437 L444 K445 V446 | K432-N442 PolarHBondContact O-ND2 3.12Å; E435-N442 PolarHBondContact O-ND2 3.4Å; T437-N442 HydrophobicContact CG2-CB 4.08Å; N442-L444 VanDerWaalsContact C-N 3.26Å; N442-L444 PolarHBondContact O-N 3.38Å; N442-L444 WeakPolarHBondContact OD1-CB 3.45Å; N442-L444 PolarHBondContact OD1-N 3.27Å; N442-K445 HydrophobicContact CB-CB 4.16Å; N442-K445 WeakPolarHBondContact O-CB 3.43Å; N442-K445 PolarHBondContact O-N 3.15Å; N442-K445 VanDerWaalsContact O-N 3.15Å; N442-V446 PolarHBondContact O-N 3.27Å | ||
| 443 | P | 97.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -32 | -177.7 | 22.8 | -33.7 | 0 | 0 | 0 | 113.3 | L441 V446 L447 F467 I616 G617 T619 | L441-P443 WeakPolarHBondContact O-CD 3.37Å; P443-V446 PolarHBondContact O-N 3.22Å; P443-L447 VanDerWaalsContact O-CG 3.29Å; P443-L447 WeakPolarHBondContact O-CG 3.43Å; P443-L447 PolarHBondContact O-N 2.75Å; P443-F467 HydrophobicContact CB-CD2 3.7Å; P443-F467 HydrophobicContact CB-CE2 3.75Å; P443-I616 HydrophobicContact CB-CB 4.18Å; P443-I616 HydrophobicContact CB-CD1 4.07Å; P443-I616 HydrophobicContact CB-CG2 4.15Å; P443-G617 WeakPolarHBondContact CD-O 3.45Å; P443-T619 HydrophobicContact CG-CG2 3.62Å |
| 444 | L | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -37.9 | 179 | -49.3 | -177.3 | 0 | 0 | 0 | 111.2 | K432 A433 N442 V446 L447 H448 I474 F621 | K432-L444 HydrophobicContact CB-CD1 3.67Å; A433-L444 HydrophobicContact CB-CB 3.91Å; N442-L444 VanDerWaalsContact C-N 3.26Å; N442-L444 PolarHBondContact O-N 3.38Å; N442-L444 WeakPolarHBondContact OD1-CB 3.45Å; N442-L444 PolarHBondContact OD1-N 3.27Å; L444-V446 VanDerWaalsContact C-N 3.32Å; L444-V446 PolarHBondContact O-N 3.18Å; L444-L447 PolarHBondContact O-N 2.63Å; L444-H448 PolarHBondContact O-CD2 2.92Å; L444-H448 PolarHBondContact O-N 3.25Å; L444-I474 HydrophobicContact CB-CD1 3.89Å; L444-I474 HydrophobicContact CD2-CD1 3.64Å; L444-I474 HydrophobicContact CG-CD1 4.29Å; L444-F621 HydrophobicContact CD1-CB 3.92Å; L444-F621 HydrophobicContact CD1-CD1 4.32Å; L444-F621 HydrophobicContact CD1-CD2 3.7Å; L444-F621 HydrophobicContact CD1-CE2 4.32Å; L444-F621 HydrophobicContact CD1-CG 3.72Å; L444-F621 HydrophobicContact CD2-CB 4.08Å; L444-F621 HydrophobicContact CD2-CD1 3.44Å; L444-F621 VanDerWaalsContact CD2-CD1 3.44Å; L444-F621 HydrophobicContact CD2-CD2 4.32Å; L444-F621 HydrophobicContact CD2-CE1 3.93Å; L444-F621 HydrophobicContact CD2-CG 3.68Å; L444-F621 HydrophobicContact CG-CB 4.44Å; L444-F621 HydrophobicContact CG-CG 4.3Å |
| 445 | K | 97.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 30% | 0.3 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176 | -172.8 | 165.6 | -178.9 | 166.2 | 0 | 111.3 | A433 N442 H448 C449 E590 | A433-K445 HydrophobicContact CB-CB 4.3Å; N442-K445 HydrophobicContact CB-CB 4.16Å; N442-K445 WeakPolarHBondContact O-CB 3.43Å; N442-K445 PolarHBondContact O-N 3.15Å; N442-K445 VanDerWaalsContact O-N 3.15Å; K445-H448 PolarHBondContact O-N 3.08Å; K445-C449 WeakPolarHBondContact O-CB 3.45Å; K445-C449 PolarHBondContact O-N 3.19Å; K445-E590 HydrophobicContact CD-CG 4.34Å; K445-E590 WeakPolarHBondContact CE-OE1 3.38Å; K445-E590 IonicContact NZ-OE1 2.65Å; K445-E590 PolarHBondContact NZ-OE1 3.18Å |
| 446 | V | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -51 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | L441 N442 P443 L444 H448 C449 V450 V540 L593 V614 | L441-V446 HydrophobicContact CB-CG2 4.12Å; L441-V446 HydrophobicContact CD1-CG2 4.18Å; N442-V446 PolarHBondContact O-N 3.27Å; P443-V446 PolarHBondContact O-N 3.22Å; L444-V446 VanDerWaalsContact C-N 3.32Å; L444-V446 PolarHBondContact O-N 3.18Å; V446-H448 PolarHBondContact O-N 3.01Å; V446-C449 PolarHBondContact O-N 3.5Å; V446-V450 WeakPolarHBondContact O-CG2 3.4Å; V446-V450 PolarHBondContact O-N 2.65Å; V446-V540 HydrophobicContact CG1-CG1 4.23Å; V446-L593 HydrophobicContact CG2-CD2 4.28Å; V446-V614 HydrophobicContact CG1-CG1 4.1Å; V446-V614 HydrophobicContact CG1-CG2 4.27Å; V446-V614 HydrophobicContact CG2-CG1 3.74Å |
| 447 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | -179 | -69.7 | 167.7 | 0 | 0 | 0 | 113.1 | P443 L444 D451 F467 A471 I474 M475 I514 | P443-L447 VanDerWaalsContact O-CG 3.29Å; P443-L447 WeakPolarHBondContact O-CG 3.43Å; P443-L447 PolarHBondContact O-N 2.75Å; L444-L447 PolarHBondContact O-N 2.63Å; L447-D451 WeakPolarHBondContact O-CB 3.43Å; L447-D451 PolarHBondContact O-N 2.95Å; L447-F467 HydrophobicContact CD1-CD2 4.28Å; L447-F467 HydrophobicContact CD1-CE2 3.93Å; L447-F467 HydrophobicContact CD1-CZ 4.42Å; L447-F467 HydrophobicContact CD2-CE1 4.1Å; L447-F467 HydrophobicContact CD2-CE2 4Å; L447-F467 HydrophobicContact CD2-CZ 3.61Å; L447-F467 HydrophobicContact CG-CE2 3.77Å; L447-F467 HydrophobicContact CG-CZ 3.88Å; L447-A471 HydrophobicContact CD1-CB 4.13Å; L447-A471 HydrophobicContact CD2-CB 3.54Å; L447-A471 HydrophobicContact CG-CB 4.46Å; L447-I474 HydrophobicContact CB-CB 4.3Å; L447-I474 HydrophobicContact CB-CD1 4.01Å; L447-I474 HydrophobicContact CB-CG2 3.97Å; L447-I474 HydrophobicContact CD1-CD1 4.07Å; L447-M475 HydrophobicContact CD2-CG 4.28Å; L447-M475 HydrophobicContact CD2-SD 3.77Å; L447-I514 HydrophobicContact CD2-CG2 4.21Å |
| 448 | H | 97.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 174 | -81.7 | -62.1 | 0 | 0 | 0 | 112 | L444 K445 V446 V450 D451 E452 I474 | L444-H448 PolarHBondContact O-CD2 2.92Å; L444-H448 PolarHBondContact O-N 3.25Å; K445-H448 PolarHBondContact O-N 3.08Å; V446-H448 PolarHBondContact O-N 3.01Å; H448-V450 VanDerWaalsContact C-N 3.34Å; H448-V450 PolarHBondContact O-N 3.19Å; H448-D451 PolarHBondContact O-N 3.38Å; H448-E452 WeakPolarHBondContact O-CB 3.25Å; H448-E452 VanDerWaalsContact O-CG 3.27Å; H448-E452 WeakPolarHBondContact O-CG 3.49Å; H448-E452 PolarHBondContact O-N 2.93Å; H448-I474 WeakPolarHBondContact ND1-CG2 3.29Å |
| 449 | C | 97.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 32 Ų | 32 | 14% | 0.142 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 177.9 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | K445 V446 E452 L453 L593 I597 | K445-C449 WeakPolarHBondContact O-CB 3.45Å; K445-C449 PolarHBondContact O-N 3.19Å; V446-C449 PolarHBondContact O-N 3.5Å; C449-E452 PolarHBondContact O-N 2.97Å; C449-L453 WeakPolarHBondContact O-CD1 3.46Å; C449-L453 VanDerWaalsContact O-CG 3.28Å; C449-L453 WeakPolarHBondContact O-CG 3.33Å; C449-L453 PolarHBondContact O-N 3.4Å; C449-L593 HydrophobicContact CB-CD2 3.83Å; C449-L593 HydrophobicContact CB-CG 4.4Å; C449-I597 HydrophobicContact CB-CD1 4.3Å |
| 450 | V | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -50.5 | 173.5 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | V446 H448 E452 L453 M454 M475 W512 V540 I597 | V446-V450 WeakPolarHBondContact O-CG2 3.4Å; V446-V450 PolarHBondContact O-N 2.65Å; H448-V450 VanDerWaalsContact C-N 3.34Å; H448-V450 PolarHBondContact O-N 3.19Å; V450-E452 PolarHBondContact O-N 3.36Å; V450-L453 PolarHBondContact O-N 3Å; V450-M454 HydrophobicContact CG1-CG 4.16Å; V450-M454 HydrophobicContact CG1-SD 4.47Å; V450-M454 WeakPolarHBondContact O-CG 3.49Å; V450-M454 PolarHBondContact O-N 3.49Å; V450-M475 HydrophobicContact CB-CE 4.46Å; V450-M475 HydrophobicContact CG1-CE 3.65Å; V450-W512 HydrophobicContact CG1-CD2 4.42Å; V450-W512 HydrophobicContact CG1-CE3 3.81Å; V450-W512 HydrophobicContact CG1-CH2 4.38Å; V450-W512 HydrophobicContact CG1-CZ3 3.78Å; V450-V540 HydrophobicContact CG2-CG2 4Å; V450-I597 HydrophobicContact CG2-CD1 3.85Å |
| 451 | D | 96.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.1 | -38.6 | -179.1 | -173.7 | 65.3 | 0 | 0 | 0 | 112.5 | L447 H448 L453 M454 M475 R476 R478 | L447-D451 WeakPolarHBondContact O-CB 3.43Å; L447-D451 PolarHBondContact O-N 2.95Å; H448-D451 PolarHBondContact O-N 3.38Å; D451-L453 VanDerWaalsContact C-N 3.35Å; D451-M454 HydrophobicContact CB-CE 4.37Å; D451-M454 VanDerWaalsContact OD1-CE 3.28Å; D451-M454 WeakPolarHBondContact OD1-CE 3.46Å; D451-M475 HydrophobicContact CB-CG 4.37Å; D451-M475 WeakPolarHBondContact OD1-CA 3.33Å; D451-R476 PolarHBondContact OD1-N 2.86Å; D451-R478 PolarHBondContact O-NH2 2.72Å; D451-R478 IonicContact OD1-NH1 3.33Å |
| 452 | E | 96.3 | Very high | 97.1 | Very high | 107 Ų | 107 | 24.2 Ų | 24.2 | 50% | 0.5 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -70.6 | -27.7 | 178.9 | -73.1 | 165.6 | -170.9 | 0 | 0 | 113.2 | R430 H448 C449 V450 | R430-E452 IonicContact CZ-OE1 2.84Å; R430-E452 IonicContact NH1-OE1 2.71Å; R430-E452 PolarHBondContact NH1-OE1 3.19Å; R430-E452 IonicContact NH2-OE1 3.93Å; R430-E452 PolarHBondContact NH2-OE1 2.89Å; H448-E452 WeakPolarHBondContact O-CB 3.25Å; H448-E452 VanDerWaalsContact O-CG 3.27Å; H448-E452 WeakPolarHBondContact O-CG 3.49Å; H448-E452 PolarHBondContact O-N 2.93Å; C449-E452 PolarHBondContact O-N 2.97Å; V450-E452 PolarHBondContact O-N 3.36Å |
| 453 | L | 97.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 23.9 Ų | 23.9 | 21% | 0.209 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -96.1 | -18.4 | -177.2 | -67.7 | 170.9 | 0 | 0 | 0 | 114.7 | C449 V450 D451 A455 I597 K598 Q601 | C449-L453 WeakPolarHBondContact O-CD1 3.46Å; C449-L453 VanDerWaalsContact O-CG 3.28Å; C449-L453 WeakPolarHBondContact O-CG 3.33Å; C449-L453 PolarHBondContact O-N 3.4Å; V450-L453 PolarHBondContact O-N 3Å; D451-L453 VanDerWaalsContact C-N 3.35Å; L453-A455 PolarHBondContact O-N 3.29Å; L453-I597 HydrophobicContact CB-CG2 4.25Å; L453-I597 HydrophobicContact CD1-CB 3.81Å; L453-I597 HydrophobicContact CD1-CD1 4.03Å; L453-I597 HydrophobicContact CD1-CG2 3.61Å; L453-K598 HydrophobicContact CD2-CG 4.44Å; L453-Q601 PolarHBondContact O-NE2 2.82Å; L453-Q601 VanDerWaalsContact O-NE2 3.12Å |
| 454 | M | 95.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -58.7 | 136.9 | 177.6 | -73.8 | -170.1 | -56.1 | 0 | 0 | 111.7 | V450 D451 I460 M475 R478 W512 | V450-M454 HydrophobicContact CG1-CG 4.16Å; V450-M454 HydrophobicContact CG1-SD 4.47Å; V450-M454 WeakPolarHBondContact O-CG 3.49Å; V450-M454 PolarHBondContact O-N 3.49Å; D451-M454 HydrophobicContact CB-CE 4.37Å; D451-M454 VanDerWaalsContact OD1-CE 3.28Å; D451-M454 WeakPolarHBondContact OD1-CE 3.46Å; M454-I460 HydrophobicContact CE-CD1 3.7Å; M454-I460 HydrophobicContact CE-CG1 4.19Å; M454-I460 HydrophobicContact SD-CD1 4.08Å; M454-I460 HydrophobicContact SD-CG1 3.88Å; M454-M475 HydrophobicContact CE-CE 3.55Å; M454-M475 HydrophobicContact SD-CE 3.42Å; M454-M475 WeakPolarHBondContact SD-CE 3.38Å; M454-R478 PolarHBondContact O-NH2 2.73Å; M454-W512 HydrophobicContact CG-CD2 4.06Å; M454-W512 HydrophobicContact CG-CG 4.13Å; M454-W512 HydrophobicContact CG-CZ2 4.32Å; M454-W512 HydrophobicContact SD-CB 4.32Å; M454-W512 HydrophobicContact SD-CD2 4.37Å; M454-W512 HydrophobicContact SD-CG 3.96Å |
| 455 | A | 95.1 | Very high | 96.7 | Very high | 29 Ų | 29 | 25.4 Ų | 25.4 | 24% | 0.24 | 15% | 0.145 | C | C | . | . | trans | -61.4 | 154.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L453 D457 S458 E510 | L453-A455 PolarHBondContact O-N 3.29Å; A455-D457 PolarHBondContact O-N 3.09Å; A455-S458 PolarHBondContact N-OG 3.25Å; A455-S458 VanDerWaalsContact N-OG 3.09Å; A455-S458 WeakPolarHBondContact O-CB 3.37Å; A455-S458 PolarHBondContact O-N 3.1Å; A455-S458 PolarHBondContact O-OG 3.49Å; A455-E510 HydrophobicContact CB-CG 4.21Å | ||
| 456 | D | 92.4 | Very high | 96.5 | Very high | 128 Ų | 128 | 23 Ų | 23 | 68% | 0.684 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.9 | -175.3 | -79.5 | -19.5 | 0 | 0 | 0 | 114.4 | R478 | D456-R478 VanDerWaalsContact CA-CD 3.45Å; D456-R478 WeakPolarHBondContact O-CB 3.37Å; D456-R478 VanDerWaalsContact OD1-CD 3.25Å; D456-R478 WeakPolarHBondContact OD1-CD 3.48Å; D456-R478 IonicContact OD1-NE 3.03Å; D456-R478 PolarHBondContact OD1-NE 3.43Å |
| 457 | D | 94.5 | Very high | 96.4 | Very high | 57 Ų | 57 | 23.3 Ų | 23.3 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.9 | 178.2 | 80.8 | -40.6 | 0 | 0 | 0 | 112.8 | A455 R482 S509 | A455-D457 PolarHBondContact O-N 3.09Å; D457-R482 PolarHBondContact O-NE 2.77Å; D457-R482 PolarHBondContact O-NH1 3.14Å; D457-S509 WeakPolarHBondContact O-CB 3.42Å; D457-S509 PolarHBondContact O-OG 2.87Å; D457-S509 VanDerWaalsContact OD2-CA 3.24Å; D457-S509 WeakPolarHBondContact OD2-CA 3.47Å; D457-S509 VanDerWaalsContact OD2-CB 3.31Å; D457-S509 WeakPolarHBondContact OD2-CB 3.41Å; D457-S509 PolarHBondContact OD2-OG 3.26Å |
| 458 | S | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | trans | -60 | 142.9 | -179.6 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | A455 R482 E510 | A455-S458 PolarHBondContact N-OG 3.25Å; A455-S458 VanDerWaalsContact N-OG 3.09Å; A455-S458 WeakPolarHBondContact O-CB 3.37Å; A455-S458 PolarHBondContact O-N 3.1Å; A455-S458 PolarHBondContact O-OG 3.49Å; S458-R482 WeakPolarHBondContact O-CB 3.44Å; S458-R482 WeakPolarHBondContact O-CD 3.41Å; S458-E510 CarbonylContact C-O 3.6Å; S458-E510 VanDerWaalsContact CA-O 3.29Å; S458-E510 WeakPolarHBondContact CA-O 3.49Å | ||
| 459 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.1 | 169.8 | -55.6 | 172.9 | 0 | 0 | 0 | 108.3 | A502 R506 E510 V511 W512 | I459-A502 HydrophobicContact CD1-CB 4.2Å; I459-A502 HydrophobicContact CG2-CB 4.19Å; I459-R506 HydrophobicContact CD1-CB 3.74Å; I459-R506 HydrophobicContact CD1-CG 3.72Å; I459-E510 PolarHBondContact N-O 3.38Å; I459-V511 HydrophobicContact CB-CG2 4.41Å; I459-V511 HydrophobicContact CD1-CG2 4.38Å; I459-W512 PolarHBondContact O-N 3.5Å |
| 460 | I | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.8 | 177.6 | -54.3 | 166.5 | 0 | 0 | 0 | 109.2 | M454 M475 R482 W483 L484 W512 I514 | M454-I460 HydrophobicContact CE-CD1 3.7Å; M454-I460 HydrophobicContact CE-CG1 4.19Å; M454-I460 HydrophobicContact SD-CD1 4.08Å; M454-I460 HydrophobicContact SD-CG1 3.88Å; I460-M475 HydrophobicContact CD1-CB 4.12Å; I460-M475 HydrophobicContact CD1-CE 4.31Å; I460-R482 PolarHBondContact N-O 2.64Å; I460-W483 HydrophobicContact CB-CE3 3.9Å; I460-W483 HydrophobicContact CB-CZ3 4.16Å; I460-W483 HydrophobicContact CD1-CE3 4.15Å; I460-W483 HydrophobicContact CD1-CZ3 4.22Å; I460-W483 HydrophobicContact CG2-CE3 3.94Å; I460-W483 HydrophobicContact CG2-CH2 4.48Å; I460-W483 HydrophobicContact CG2-CZ3 3.7Å; I460-W483 CarbonylContact O-C 3.44Å; I460-W483 WeakPolarHBondContact O-CA 3.32Å; I460-L484 PolarHBondContact O-N 2.7Å; I460-W512 CarbonylContact C-O 3.51Å; I460-W512 WeakPolarHBondContact CA-O 3.4Å; I460-I514 HydrophobicContact CG2-CG1 4.08Å |
| 461 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.3 | 172 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | L484 F498 A499 V511 W512 I513 I514 | V461-L484 WeakPolarHBondContact CA-O 3.25Å; V461-L484 HydrophobicContact CG2-CB 4.28Å; V461-L484 HydrophobicContact CG2-CD1 4.16Å; V461-F498 HydrophobicContact CG1-CB 3.58Å; V461-F498 HydrophobicContact CG1-CD2 4.4Å; V461-F498 HydrophobicContact CG2-CB 4.34Å; V461-A499 HydrophobicContact CG2-CB 4.27Å; V461-V511 HydrophobicContact CG2-CG1 4.19Å; V461-W512 PolarHBondContact N-O 3.1Å; V461-I513 HydrophobicContact CB-CG2 4.11Å; V461-I513 HydrophobicContact CG1-CG2 4.05Å; V461-I513 WeakPolarHBondContact O-CA 3.47Å; V461-I514 PolarHBondContact O-N 3.41Å |
| 462 | A | 97.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V468 W483 L484 D485 P486 | A462-V468 HydrophobicContact CB-CG1 3.57Å; A462-W483 HydrophobicContact CB-CH2 4.06Å; A462-W483 HydrophobicContact CB-CZ2 3.79Å; A462-L484 PolarHBondContact N-O 3.36Å; A462-D485 HydrophobicContact CB-CB 4.19Å; A462-P486 WeakPolarHBondContact O-CD 3.4Å |
| 463 | D | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 99.7 | 178.5 | -176.5 | 7.1 | 0 | 0 | 0 | 111.1 | L492 G493 V494 G495 I514 Y515 G516 S519 | D463-L492 WeakPolarHBondContact OD1-CA 3.41Å; D463-G493 PolarHBondContact OD1-N 2.79Å; D463-G493 VanDerWaalsContact OD2-C 3.23Å; D463-G493 WeakPolarHBondContact OD2-CA 3.41Å; D463-G493 PolarHBondContact OD2-N 2.94Å; D463-G493 VanDerWaalsContact OD2-N 3.08Å; D463-V494 HydrophobicContact CB-CG2 3.94Å; D463-V494 PolarHBondContact OD2-N 2.91Å; D463-G495 WeakPolarHBondContact OD2-CA 3.16Å; D463-G495 PolarHBondContact OD2-N 2.79Å; D463-I514 PolarHBondContact N-O 2.77Å; D463-Y515 HydrophobicContact CB-CD1 3.92Å; D463-Y515 HydrophobicContact CB-CE1 3.88Å; D463-Y515 WeakPolarHBondContact O-CA 3.5Å; D463-Y515 WeakPolarHBondContact OD2-CE1 3.26Å; D463-G516 PolarHBondContact O-N 2.9Å; D463-S519 WeakPolarHBondContact O-CB 3.44Å; D463-S519 PolarHBondContact O-OG 3.32Å; D463-S519 WeakPolarHBondContact OD1-CB 3.41Å |
| 464 | G | 94.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 22% | 0.216 | 13% | 0.132 | C | C | . | . | trans | 157.9 | -175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S519 | G464-S519 WeakPolarHBondContact CA-OG 3.43Š| ||
| 465 | G | 91.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 21.8 Ų | 21.8 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -97.6 | -110.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F467 V468 G469 | G465-F467 PolarHBondContact O-N 3.16Å; G465-V468 PolarHBondContact O-N 3.4Å; G465-G469 PolarHBondContact O-N 3.29Å |
| 466 | D | 94 | Very high | 94.9 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | -164.8 | -166.9 | 58.5 | 0 | 0 | 0 | 114.5 | G469 S470 Q549 R552 R622 | D466-G469 PolarHBondContact O-N 3.25Å; D466-S470 PolarHBondContact O-N 3.22Å; D466-S470 PolarHBondContact O-OG 3Å; D466-Q549 HydrophobicContact CB-CB 4.18Å; D466-R552 IonicContact OD1-NE 3.55Å; D466-R552 PolarHBondContact OD1-NE 3.1Å; D466-R552 IonicContact OD2-CZ 2.7Å; D466-R552 VanDerWaalsContact OD2-CZ 3.24Å; D466-R552 IonicContact OD2-NE 2.76Å; D466-R552 PolarHBondContact OD2-NE 2.83Å; D466-R552 IonicContact OD2-NH2 3.62Å; D466-R552 PolarHBondContact OD2-NH2 3.41Å; D466-R622 VanDerWaalsContact OD1-CB 3.26Å; D466-R622 WeakPolarHBondContact OD1-CB 3.37Å; D466-R622 IonicContact OD1-NE 3.2Å |
| 467 | F | 96.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.2 | -179.3 | -111.6 | 0 | 0 | 0 | 111.6 | P443 L447 G465 S470 A471 I514 Y515 V540 I616 | P443-F467 HydrophobicContact CB-CD2 3.7Å; P443-F467 HydrophobicContact CB-CE2 3.75Å; L447-F467 HydrophobicContact CD1-CD2 4.28Å; L447-F467 HydrophobicContact CD1-CE2 3.93Å; L447-F467 HydrophobicContact CD1-CZ 4.42Å; L447-F467 HydrophobicContact CD2-CE1 4.1Å; L447-F467 HydrophobicContact CD2-CE2 4Å; L447-F467 HydrophobicContact CD2-CZ 3.61Å; L447-F467 HydrophobicContact CG-CE2 3.77Å; L447-F467 HydrophobicContact CG-CZ 3.88Å; G465-F467 PolarHBondContact O-N 3.16Å; F467-S470 WeakPolarHBondContact O-CB 3.42Å; F467-S470 PolarHBondContact O-N 3.36Å; F467-A471 PolarHBondContact O-N 3.31Å; F467-I514 HydrophobicContact CD1-CG2 4.04Å; F467-I514 HydrophobicContact CE1-CG2 3.69Å; F467-Y515 VanDerWaalsContact CD1-O 3.25Å; F467-Y515 WeakPolarHBondContact CD1-O 3.24Å; F467-V540 HydrophobicContact CE1-CG1 4.42Å; F467-V540 HydrophobicContact CZ-CG1 4.34Å; F467-I616 HydrophobicContact CB-CD1 4.19Å; F467-I616 HydrophobicContact CD2-CD1 3.6Å; F467-I616 HydrophobicContact CE2-CD1 4.22Å; F467-I616 HydrophobicContact CE2-CG2 4.49Å; F467-I616 HydrophobicContact CG-CD1 4.04Å |
| 468 | V | 95.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 16.1 Ų | 16.1 | 6% | 0.061 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.5 | -35.2 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | A462 G465 S470 A471 A472 I514 | A462-V468 HydrophobicContact CB-CG1 3.57Å; G465-V468 PolarHBondContact O-N 3.4Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 2.98Å; V468-A471 CarbonylContact O-C 3.53Å; V468-A471 WeakPolarHBondContact O-CB 3.28Å; V468-A471 PolarHBondContact O-N 3.07Å; V468-A472 PolarHBondContact O-N 3.46Å; V468-I514 HydrophobicContact CG2-CG2 4.31Å; V468-I514 VanDerWaalsContact CG2-O 3.29Å; V468-I514 WeakPolarHBondContact CG2-O 3.27Å |
| 469 | G | 93.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 16% | 0.155 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G465 D466 A472 Y473 | G465-G469 PolarHBondContact O-N 3.29Å; D466-G469 PolarHBondContact O-N 3.25Å; G469-A472 WeakPolarHBondContact O-CB 3.44Å; G469-A472 PolarHBondContact O-N 3.26Å; G469-Y473 VanDerWaalsContact O-CD2 3.24Å; G469-Y473 WeakPolarHBondContact O-CD2 3.4Å |
| 470 | S | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 173.7 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | D466 F467 V468 A472 Y473 I474 R622 | D466-S470 PolarHBondContact O-N 3.22Å; D466-S470 PolarHBondContact O-OG 3Å; F467-S470 WeakPolarHBondContact O-CB 3.42Å; F467-S470 PolarHBondContact O-N 3.36Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 2.98Å; S470-A472 VanDerWaalsContact C-N 3.26Å; S470-A472 PolarHBondContact O-N 3.26Å; S470-Y473 PolarHBondContact O-N 3.43Å; S470-I474 PolarHBondContact O-N 2.73Å; S470-R622 WeakPolarHBondContact OG-CG 3.35Å |
| 471 | A | 95.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L447 F467 V468 Y473 I474 M475 I514 | L447-A471 HydrophobicContact CD1-CB 4.13Å; L447-A471 HydrophobicContact CD2-CB 3.54Å; L447-A471 HydrophobicContact CG-CB 4.46Å; F467-A471 PolarHBondContact O-N 3.31Å; V468-A471 CarbonylContact O-C 3.53Å; V468-A471 WeakPolarHBondContact O-CB 3.28Å; V468-A471 PolarHBondContact O-N 3.07Å; A471-Y473 PolarHBondContact O-N 3.24Å; A471-I474 PolarHBondContact O-N 2.96Å; A471-I474 VanDerWaalsContact O-N 3.15Å; A471-M475 HydrophobicContact CB-CG 4.27Å; A471-M475 HydrophobicContact CB-SD 3.97Å; A471-M475 WeakPolarHBondContact O-CB 3.3Å; A471-M475 PolarHBondContact O-N 3.42Å; A471-I514 HydrophobicContact CB-CG2 3.81Å |
| 472 | A | 91.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 19.6 Ų | 19.6 | 23% | 0.231 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -16 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | R318 V468 G469 S470 W483 | R318-A472 PolarHBondContact NH2-O 2.91Å; V468-A472 PolarHBondContact O-N 3.46Å; G469-A472 WeakPolarHBondContact O-CB 3.44Å; G469-A472 PolarHBondContact O-N 3.26Å; S470-A472 VanDerWaalsContact C-N 3.26Å; S470-A472 PolarHBondContact O-N 3.26Å; A472-W483 HydrophobicContact CB-CH2 4.2Å; A472-W483 HydrophobicContact CB-CZ2 4.39Å |
| 473 | Y | 90.8 | Very high | 94 | Very high | 100 Ų | 100 | 19.5 Ų | 19.5 | 39% | 0.392 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -90.4 | -29.3 | 170.5 | -77.2 | -106.1 | 0 | 0 | 0 | 112.2 | G469 S470 A471 F621 R622 | G469-Y473 VanDerWaalsContact O-CD2 3.24Å; G469-Y473 WeakPolarHBondContact O-CD2 3.4Å; S470-Y473 PolarHBondContact O-N 3.43Å; A471-Y473 PolarHBondContact O-N 3.24Å; Y473-F621 HydrophobicContact CG-CE1 4.34Å; Y473-F621 HydrophobicContact CG-CZ 4.35Å; Y473-R622 VanDerWaalsContact CE2-NH1 3.32Å |
| 474 | I | 93.2 | Very high | 94 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -99 | -51.9 | -169.5 | -69.3 | 168.4 | 0 | 0 | 0 | 112.2 | L444 L447 H448 S470 A471 R476 | L444-I474 HydrophobicContact CB-CD1 3.89Å; L444-I474 HydrophobicContact CD2-CD1 3.64Å; L444-I474 HydrophobicContact CG-CD1 4.29Å; L447-I474 HydrophobicContact CB-CB 4.3Å; L447-I474 HydrophobicContact CB-CD1 4.01Å; L447-I474 HydrophobicContact CB-CG2 3.97Å; L447-I474 HydrophobicContact CD1-CD1 4.07Å; H448-I474 WeakPolarHBondContact ND1-CG2 3.29Å; S470-I474 PolarHBondContact O-N 2.73Å; A471-I474 PolarHBondContact O-N 2.96Å; A471-I474 VanDerWaalsContact O-N 3.15Å; I474-R476 WeakPolarHBondContact O-CG 3.41Å |
| 475 | M | 93.5 | Very high | 94 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | trans | -77.3 | 135.3 | -168.7 | -60 | -172.8 | 67.7 | 0 | 0 | 111.6 | L447 V450 D451 M454 I460 A471 I514 | L447-M475 HydrophobicContact CD2-CG 4.28Å; L447-M475 HydrophobicContact CD2-SD 3.77Å; V450-M475 HydrophobicContact CB-CE 4.46Å; V450-M475 HydrophobicContact CG1-CE 3.65Å; D451-M475 HydrophobicContact CB-CG 4.37Å; D451-M475 WeakPolarHBondContact OD1-CA 3.33Å; M454-M475 HydrophobicContact CE-CE 3.55Å; M454-M475 HydrophobicContact SD-CE 3.42Å; M454-M475 WeakPolarHBondContact SD-CE 3.38Å; I460-M475 HydrophobicContact CD1-CB 4.12Å; I460-M475 HydrophobicContact CD1-CE 4.31Å; A471-M475 HydrophobicContact CB-CG 4.27Å; A471-M475 HydrophobicContact CB-SD 3.97Å; A471-M475 WeakPolarHBondContact O-CB 3.3Å; A471-M475 PolarHBondContact O-N 3.42Å; M475-I514 HydrophobicContact CE-CD1 3.79Å; M475-I514 HydrophobicContact CE-CG1 4.09Å; M475-I514 HydrophobicContact SD-CD1 3.71Å; M475-I514 HydrophobicContact SD-CG1 3.68Å | ||
| 476 | R | 90.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 19.8 Ų | 19.8 | 19% | 0.189 | 10% | 0.103 | C | C | . | . | trans | -116.2 | 107.9 | -169.9 | -60 | -178.1 | -178.6 | -177.1 | 3.5 | 110.7 | E426 D451 I474 R478 | E426-R476 IonicContact OE2-CZ 2.71Å; E426-R476 IonicContact OE2-NH2 2.77Å; E426-R476 PolarHBondContact OE2-NH2 2.9Å; D451-R476 PolarHBondContact OD1-N 2.86Å; I474-R476 WeakPolarHBondContact O-CG 3.41Å; R476-R478 PolarHBondContact O-N 3.25Å; R476-R478 PolarHBondContact O-NH1 2.85Å; R476-R478 VanDerWaalsContact O-NH1 3.09Å | ||
| 477 | P | 93.3 | Very high | 94 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | trans | -63.6 | 132.1 | 164.7 | 26.4 | -32.6 | 0 | 0 | 0 | 109.2 | R318 G319 R482 W483 | R318-P477 HydrophobicContact CB-CG 4.02Å; G319-P477 WeakPolarHBondContact CA-O 3.46Å; P477-R482 HydrophobicContact CB-CB 3.94Å; P477-W483 HydrophobicContact CB-CB 4.21Å; P477-W483 HydrophobicContact CG-CB 4.16Å; P477-W483 HydrophobicContact CG-CE3 4.22Å | ||
| 478 | R | 92.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 21.1 Ų | 21.1 | 14% | 0.136 | 12% | 0.12 | C | C | . | . | trans | -98.7 | 5.9 | -169.7 | -64 | 159.7 | 171.8 | 69.5 | -17.7 | 113.9 | D451 M454 D456 R476 | D451-R478 PolarHBondContact O-NH2 2.72Å; D451-R478 IonicContact OD1-NH1 3.33Å; M454-R478 PolarHBondContact O-NH2 2.73Å; D456-R478 VanDerWaalsContact CA-CD 3.45Å; D456-R478 WeakPolarHBondContact O-CB 3.37Å; D456-R478 VanDerWaalsContact OD1-CD 3.25Å; D456-R478 WeakPolarHBondContact OD1-CD 3.48Å; D456-R478 IonicContact OD1-NE 3.03Å; D456-R478 PolarHBondContact OD1-NE 3.43Å; R476-R478 PolarHBondContact O-N 3.25Å; R476-R478 PolarHBondContact O-NH1 2.85Å; R476-R478 VanDerWaalsContact O-NH1 3.09Å | ||
| 479 | G | 92.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 12% | 0.124 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -165.9 | 174 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | G319 R482 | G319-G479 VanDerWaalsContact C-C 3.48Å; G319-G479 CarbonylContact C-O 3.56Å; G319-G479 WeakPolarHBondContact CA-O 3.35Å; G319-G479 CarbonylContact O-C 3.2Å; G319-G479 WeakPolarHBondContact O-CA 3.45Å; G479-R482 WeakPolarHBondContact O-CB 3.26Å; G479-R482 WeakPolarHBondContact O-CG 3.27Å |
| 480 | P | 93.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 144.3 | 174.9 | -25 | 34.5 | 0 | 0 | 0 | 112.1 | A296 E297 M320 R482 | A296-P480 HydrophobicContact CB-CB 3.83Å; E297-P480 HydrophobicContact CG-CG 4.31Å; M320-P480 HydrophobicContact SD-CB 3.75Å; M320-P480 HydrophobicContact SD-CG 4.09Å; P480-R482 PolarHBondContact O-N 3.41Å |
| 481 | L | 94.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 33 | 175 | -54.8 | 176.2 | 0 | 0 | 0 | 113.6 | L106 T290 A296 M316 | L106-L481 HydrophobicContact CD2-CB 3.94Å; L106-L481 WeakPolarHBondContact CD2-O 3.47Å; T290-L481 HydrophobicContact CG2-CD2 4.25Å; A296-L481 HydrophobicContact CB-CD1 4.37Å; A296-L481 HydrophobicContact CB-CG 4.27Å; M316-L481 HydrophobicContact CE-CD2 4.14Å |
| 482 | R | 95.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 29.8 Ų | 29.8 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | trans | -107.8 | 14.7 | 175.9 | -61.8 | -57 | -172.6 | 171.1 | 5.5 | 113.4 | D457 S458 I460 P477 G479 P480 S509 | D457-R482 PolarHBondContact O-NE 2.77Å; D457-R482 PolarHBondContact O-NH1 3.14Å; S458-R482 WeakPolarHBondContact O-CB 3.44Å; S458-R482 WeakPolarHBondContact O-CD 3.41Å; I460-R482 PolarHBondContact N-O 2.64Å; P477-R482 HydrophobicContact CB-CB 3.94Å; G479-R482 WeakPolarHBondContact O-CB 3.26Å; G479-R482 WeakPolarHBondContact O-CG 3.27Å; P480-R482 PolarHBondContact O-N 3.41Å; R482-S509 PolarHBondContact NH1-OG 2.6Å | ||
| 483 | W | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.2 | -179.2 | -179.4 | -87.3 | 0 | 0 | 0 | 110.5 | M316 R318 I460 A462 A472 P477 D485 | M316-W483 VanDerWaalsContact CE-O 3.28Å; M316-W483 WeakPolarHBondContact CE-O 3.48Å; M316-W483 VanDerWaalsContact SD-O 3.41Å; R318-W483 HydrophobicContact CB-CB 3.99Å; R318-W483 HydrophobicContact CB-CD2 4.45Å; R318-W483 HydrophobicContact CB-CG 3.91Å; R318-W483 VanDerWaalsContact NH1-CZ2 3.27Å; I460-W483 HydrophobicContact CB-CE3 3.9Å; I460-W483 HydrophobicContact CB-CZ3 4.16Å; I460-W483 HydrophobicContact CD1-CE3 4.15Å; I460-W483 HydrophobicContact CD1-CZ3 4.22Å; I460-W483 HydrophobicContact CG2-CE3 3.94Å; I460-W483 HydrophobicContact CG2-CH2 4.48Å; I460-W483 HydrophobicContact CG2-CZ3 3.7Å; I460-W483 CarbonylContact O-C 3.44Å; I460-W483 WeakPolarHBondContact O-CA 3.32Å; A462-W483 HydrophobicContact CB-CH2 4.06Å; A462-W483 HydrophobicContact CB-CZ2 3.79Å; A472-W483 HydrophobicContact CB-CH2 4.2Å; A472-W483 HydrophobicContact CB-CZ2 4.39Å; P477-W483 HydrophobicContact CB-CB 4.21Å; P477-W483 HydrophobicContact CG-CB 4.16Å; P477-W483 HydrophobicContact CG-CE3 4.22Å; W483-D485 PolarHBondContact NE1-OD2 3.16Å |
| 484 | L | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.4 | 174 | -72.2 | 171.8 | 0 | 0 | 0 | 109.9 | A102 R105 L106 M316 I460 V461 A462 F498 A502 | A102-L484 HydrophobicContact CB-CD1 3.96Å; R105-L484 HydrophobicContact CB-CD2 4.21Å; L106-L484 HydrophobicContact CD1-CD1 3.96Å; L106-L484 HydrophobicContact CD2-CD2 4.38Å; L106-L484 HydrophobicContact CG-CD1 4.39Å; L106-L484 HydrophobicContact CG-CD2 4.4Å; M316-L484 HydrophobicContact CE-CD2 3.73Å; M316-L484 HydrophobicContact SD-CD2 3.8Å; I460-L484 PolarHBondContact O-N 2.7Å; V461-L484 WeakPolarHBondContact CA-O 3.25Å; V461-L484 HydrophobicContact CG2-CB 4.28Å; V461-L484 HydrophobicContact CG2-CD1 4.16Å; A462-L484 PolarHBondContact N-O 3.36Å; L484-F498 HydrophobicContact CB-CD2 3.88Å; L484-F498 HydrophobicContact CD1-CB 4.21Å; L484-A502 HydrophobicContact CD1-CB 3.98Å |
| 485 | D | 95.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 23.6 Ų | 23.6 | 13% | 0.134 | 14% | 0.141 | C | C | . | . | trans | -144.6 | 162.4 | 175.5 | 72.1 | 33.4 | 0 | 0 | 0 | 110.6 | R105 A462 W483 G487 F498 | R105-D485 PolarHBondContact NH1-O 2.83Å; A462-D485 HydrophobicContact CB-CB 4.19Å; W483-D485 PolarHBondContact NE1-OD2 3.16Å; D485-G487 PolarHBondContact O-N 3.16Å; D485-G487 VanDerWaalsContact O-N 3.12Å; D485-G487 VanDerWaalsContact OD1-CA 3.23Å; D485-G487 WeakPolarHBondContact OD1-CA 3.34Å; D485-G487 PolarHBondContact OD1-N 3.42Å; D485-F498 WeakPolarHBondContact O-CE2 3.39Å | ||
| 486 | P | 93.7 | Very high | 94.8 | Very high | 21 Ų | 21 | 23.4 Ų | 23.4 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | trans | -71.8 | 2.7 | 179.2 | 29.8 | -36.7 | 0 | 0 | 0 | 113.8 | N130 A462 T491 V494 | N130-P486 PolarHBondContact OD1-O 3.29Å; N130-P486 VanDerWaalsContact OD1-O 3.09Å; A462-P486 WeakPolarHBondContact O-CD 3.4Å; P486-T491 VanDerWaalsContact CB-O 3.32Å; P486-T491 WeakPolarHBondContact CB-O 3.33Å; P486-T491 WeakPolarHBondContact CG-O 3.34Å; P486-V494 HydrophobicContact CB-CG1 4.01Å; P486-V494 HydrophobicContact CB-CG2 4.29Å; P486-V494 HydrophobicContact CG-CG2 4.44Å | ||
| 487 | G | 91.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 21 Ų | 21 | 29% | 0.289 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | 59.6 | -144.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D485 F489 G490 | D485-G487 PolarHBondContact O-N 3.16Å; D485-G487 VanDerWaalsContact O-N 3.12Å; D485-G487 VanDerWaalsContact OD1-CA 3.23Å; D485-G487 WeakPolarHBondContact OD1-CA 3.34Å; D485-G487 PolarHBondContact OD1-N 3.42Å; G487-F489 PolarHBondContact O-N 3.17Å; G487-G490 PolarHBondContact O-N 3.21Å |
| 488 | A | 89.9 | Confident | 95.4 | Very high | 25 Ų | 25 | 20.6 Ų | 20.6 | 21% | 0.207 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -70 | -18.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | M133 | M133-A488 HydrophobicContact CE-CB 4.47Š|
| 489 | F | 93.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 18.9 Ų | 18.9 | 37% | 0.373 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -83.2 | -17.9 | -178.9 | -164.8 | -133.3 | 0 | 0 | 0 | 112.4 | T126 K129 N130 M133 G487 T491 | T126-F489 HydrophobicContact CG2-CE1 4.2Å; K129-F489 HydrophobicContact CB-CD1 4.47Å; K129-F489 HydrophobicContact CB-CE1 3.89Å; K129-F489 HydrophobicContact CB-CZ 4.21Å; K129-F489 HydrophobicContact CG-CD1 4.04Å; K129-F489 HydrophobicContact CG-CD2 4.39Å; K129-F489 HydrophobicContact CG-CE1 3.54Å; K129-F489 HydrophobicContact CG-CE2 3.91Å; K129-F489 HydrophobicContact CG-CG 4.49Å; K129-F489 HydrophobicContact CG-CZ 3.47Å; K129-F489 VanDerWaalsContact CG-CZ 3.47Å; N130-F489 HydrophobicContact CB-CD1 4.2Å; M133-F489 HydrophobicContact CB-CB 3.97Å; M133-F489 HydrophobicContact CG-CB 3.97Å; M133-F489 HydrophobicContact CG-CD2 4.3Å; M133-F489 HydrophobicContact CG-CG 4.13Å; G487-F489 PolarHBondContact O-N 3.17Å; F489-T491 VanDerWaalsContact C-N 3.26Å; F489-T491 WeakPolarHBondContact CD1-OG1 3.41Å; F489-T491 PolarHBondContact O-N 2.9Å |
| 490 | G | 93.1 | Very high | 96 | Very high | 49 Ų | 49 | 18.3 Ų | 18.3 | 51% | 0.505 | 12% | 0.116 | S | C | . | . | trans | 63.4 | 28.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G487 L492 | G487-G490 PolarHBondContact O-N 3.21Å; G490-L492 PolarHBondContact O-N 2.94Å | ||
| 491 | T | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 7% | 0.067 | 11% | 0.111 | C | C | . | . | trans | -64.8 | 125.2 | -178 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | F98 T126 N130 P486 F489 V494 | F98-T491 HydrophobicContact CE1-CG2 4.18Å; F98-T491 HydrophobicContact CZ-CG2 3.71Å; T126-T491 HydrophobicContact CG2-CG2 3.78Å; N130-T491 PolarHBondContact OD1-OG1 3.48Å; P486-T491 VanDerWaalsContact CB-O 3.32Å; P486-T491 WeakPolarHBondContact CB-O 3.33Å; P486-T491 WeakPolarHBondContact CG-O 3.34Å; F489-T491 VanDerWaalsContact C-N 3.26Å; F489-T491 WeakPolarHBondContact CD1-OG1 3.41Å; F489-T491 PolarHBondContact O-N 2.9Å; T491-V494 HydrophobicContact CG2-CG1 4.09Å | ||
| 492 | L | 96.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 16.7 Ų | 16.7 | 34% | 0.335 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 145.3 | 168.7 | -58 | 177.6 | 0 | 0 | 0 | 110.3 | D463 G490 Y522 W547 | D463-L492 WeakPolarHBondContact OD1-CA 3.41Å; G490-L492 PolarHBondContact O-N 2.94Å; L492-Y522 HydrophobicContact CB-CD2 4.5Å; L492-Y522 HydrophobicContact CB-CE2 4.36Å; L492-W547 HydrophobicContact CD1-CH2 4.29Å; L492-W547 HydrophobicContact CD1-CZ3 3.74Å |
| 493 | G | 96.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 11.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D463 G495 S523 | D463-G493 PolarHBondContact OD1-N 2.79Å; D463-G493 VanDerWaalsContact OD2-C 3.23Å; D463-G493 WeakPolarHBondContact OD2-CA 3.41Å; D463-G493 PolarHBondContact OD2-N 2.94Å; D463-G493 VanDerWaalsContact OD2-N 3.08Å; G493-G495 VanDerWaalsContact C-N 3.27Å; G493-S523 PolarHBondContact O-OG 3.28Å |
| 494 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -71.4 | -22.9 | 175 | -60.8 | 0 | 0 | 0 | 0 | 113 | F98 D463 P486 T491 G496 G497 F498 | F98-V494 HydrophobicContact CD1-CB 4.35Å; F98-V494 HydrophobicContact CD1-CG1 3.84Å; F98-V494 HydrophobicContact CE1-CB 4.5Å; F98-V494 HydrophobicContact CE1-CG1 3.58Å; F98-V494 HydrophobicContact CE2-CG1 4.29Å; F98-V494 HydrophobicContact CG-CB 4.42Å; F98-V494 HydrophobicContact CG-CG1 4.33Å; F98-V494 HydrophobicContact CZ-CG1 3.84Å; D463-V494 HydrophobicContact CB-CG2 3.94Å; D463-V494 PolarHBondContact OD2-N 2.91Å; P486-V494 HydrophobicContact CB-CG1 4.01Å; P486-V494 HydrophobicContact CB-CG2 4.29Å; P486-V494 HydrophobicContact CG-CG2 4.44Å; T491-V494 HydrophobicContact CG2-CG1 4.09Å; V494-G496 PolarHBondContact O-N 3.08Å; V494-G497 PolarHBondContact O-N 2.88Å; V494-F498 HydrophobicContact CB-CD1 4.28Å; V494-F498 HydrophobicContact CB-CD2 3.97Å; V494-F498 HydrophobicContact CB-CE1 4.3Å; V494-F498 HydrophobicContact CB-CE2 3.99Å; V494-F498 HydrophobicContact CB-CG 4.14Å; V494-F498 HydrophobicContact CB-CZ 4.17Å; V494-F498 HydrophobicContact CG1-CE2 4.45Å; V494-F498 HydrophobicContact CG1-CZ 4.33Å; V494-F498 HydrophobicContact CG2-CD2 3.94Å; V494-F498 HydrophobicContact CG2-CE2 4.07Å; V494-F498 HydrophobicContact CG2-CG 4.49Å; V494-F498 WeakPolarHBondContact O-CB 3.15Å; V494-F498 PolarHBondContact O-N 3.33Å | ||
| 495 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D463 G493 F498 A499 Y515 | D463-G495 WeakPolarHBondContact OD2-CA 3.16Å; D463-G495 PolarHBondContact OD2-N 2.79Å; G493-G495 VanDerWaalsContact C-N 3.27Å; G495-F498 PolarHBondContact O-N 3.32Å; G495-A499 VanDerWaalsContact O-CB 3.22Å; G495-A499 WeakPolarHBondContact O-CB 3.41Å; G495-A499 PolarHBondContact O-N 3.25Å; G495-Y515 WeakPolarHBondContact CA-OH 3.33Å |
| 496 | G | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -50.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V494 L500 Y515 S523 | V494-G496 PolarHBondContact O-N 3.08Å; G496-L500 WeakPolarHBondContact O-CB 3.49Å; G496-L500 PolarHBondContact O-N 3.27Å; G496-Y515 PolarHBondContact N-OH 3.45Å; G496-S523 PolarHBondContact N-OG 2.88Å; G496-S523 VanDerWaalsContact N-OG 3.07Å |
| 497 | G | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A99 V494 A499 L500 G501 | A99-G497 WeakPolarHBondContact CA-O 3.26Å; A99-G497 VanDerWaalsContact CB-O 3.29Å; A99-G497 WeakPolarHBondContact CB-O 3.21Å; V494-G497 PolarHBondContact O-N 2.88Å; G497-A499 VanDerWaalsContact C-N 3.33Å; G497-A499 PolarHBondContact O-N 3.17Å; G497-L500 WeakPolarHBondContact O-CB 3.35Å; G497-L500 PolarHBondContact O-N 3Å; G497-G501 PolarHBondContact O-N 3.28Å |
| 498 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 179.8 | -81.5 | 12.9 | 0 | 0 | 0 | 112.4 | F98 D101 A102 V461 L484 D485 V494 G495 A502 | F98-F498 HydrophobicContact CB-CD1 3.84Å; F98-F498 HydrophobicContact CB-CE1 3.97Å; F98-F498 HydrophobicContact CD1-CE1 4.05Å; F98-F498 HydrophobicContact CG-CE1 4.39Å; F98-F498 WeakPolarHBondContact O-CD1 3.44Å; F98-F498 WeakPolarHBondContact O-CE1 3.4Å; D101-F498 HydrophobicContact CB-CE1 4.08Å; A102-F498 HydrophobicContact CB-CB 4.26Å; A102-F498 HydrophobicContact CB-CD1 3.92Å; A102-F498 HydrophobicContact CB-CG 4.23Å; V461-F498 HydrophobicContact CG1-CB 3.58Å; V461-F498 HydrophobicContact CG1-CD2 4.4Å; V461-F498 HydrophobicContact CG2-CB 4.34Å; L484-F498 HydrophobicContact CB-CD2 3.88Å; L484-F498 HydrophobicContact CD1-CB 4.21Å; D485-F498 WeakPolarHBondContact O-CE2 3.39Å; V494-F498 HydrophobicContact CB-CD1 4.28Å; V494-F498 HydrophobicContact CB-CD2 3.97Å; V494-F498 HydrophobicContact CB-CE1 4.3Å; V494-F498 HydrophobicContact CB-CE2 3.99Å; V494-F498 HydrophobicContact CB-CG 4.14Å; V494-F498 HydrophobicContact CB-CZ 4.17Å; V494-F498 HydrophobicContact CG1-CE2 4.45Å; V494-F498 HydrophobicContact CG1-CZ 4.33Å; V494-F498 HydrophobicContact CG2-CD2 3.94Å; V494-F498 HydrophobicContact CG2-CE2 4.07Å; V494-F498 HydrophobicContact CG2-CG 4.49Å; V494-F498 WeakPolarHBondContact O-CB 3.15Å; V494-F498 PolarHBondContact O-N 3.33Å; G495-F498 PolarHBondContact O-N 3.32Å; F498-A502 VanDerWaalsContact O-CB 3.24Å; F498-A502 WeakPolarHBondContact O-CB 3.12Å; F498-A502 PolarHBondContact O-N 3.03Å |
| 499 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V461 G495 G497 A502 K503 V511 I513 F530 V537 | V461-A499 HydrophobicContact CG2-CB 4.27Å; G495-A499 VanDerWaalsContact O-CB 3.22Å; G495-A499 WeakPolarHBondContact O-CB 3.41Å; G495-A499 PolarHBondContact O-N 3.25Å; G497-A499 VanDerWaalsContact C-N 3.33Å; G497-A499 PolarHBondContact O-N 3.17Å; A499-A502 PolarHBondContact O-N 2.97Å; A499-K503 WeakPolarHBondContact O-CB 3.31Å; A499-K503 PolarHBondContact O-N 2.92Å; A499-V511 HydrophobicContact CB-CG1 3.92Å; A499-I513 HydrophobicContact CB-CD1 3.24Å; A499-I513 HydrophobicContact CB-CG1 3.58Å; A499-F530 HydrophobicContact CB-CE1 4.42Å; A499-F530 HydrophobicContact CB-CZ 4.17Å; A499-V537 HydrophobicContact CB-CG1 4.07Å |
| 500 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 174.6 | -176.6 | 61 | 0 | 0 | 0 | 111.3 | F66 V88 T90 A99 G496 G497 A502 K503 L504 T529 F530 T535 | F66-L500 HydrophobicContact CD1-CD2 4.27Å; F66-L500 HydrophobicContact CE1-CD2 4.24Å; F66-L500 HydrophobicContact CE1-CG 4.22Å; V88-L500 HydrophobicContact CG1-CD1 4.19Å; V88-L500 HydrophobicContact CG1-CD2 3.78Å; V88-L500 HydrophobicContact CG1-CG 4.22Å; T90-L500 HydrophobicContact CG2-CD2 3.88Å; A99-L500 HydrophobicContact CB-CB 4.29Å; A99-L500 HydrophobicContact CB-CD2 4.14Å; A99-L500 HydrophobicContact CB-CG 4.39Å; G496-L500 WeakPolarHBondContact O-CB 3.49Å; G496-L500 PolarHBondContact O-N 3.27Å; G497-L500 WeakPolarHBondContact O-CB 3.35Å; G497-L500 PolarHBondContact O-N 3Å; L500-A502 PolarHBondContact O-N 2.8Å; L500-K503 PolarHBondContact O-N 3.34Å; L500-L504 HydrophobicContact CD1-CD1 4.35Å; L500-L504 HydrophobicContact CG-CD1 4.32Å; L500-L504 WeakPolarHBondContact O-CG 3.49Å; L500-L504 PolarHBondContact O-N 2.96Å; L500-L504 VanDerWaalsContact O-N 3.12Å; L500-T529 HydrophobicContact CD1-CG2 4.32Å; L500-T529 HydrophobicContact CD2-CG2 3.81Å; L500-F530 HydrophobicContact CB-CE1 3.99Å; L500-F530 HydrophobicContact CD1-CD1 4.25Å; L500-F530 HydrophobicContact CD1-CE1 4.48Å; L500-T535 HydrophobicContact CD1-CG2 3.98Å; L500-T535 WeakPolarHBondContact CD1-OG1 3.17Å |
| 501 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G497 L504 C505 | G497-G501 PolarHBondContact O-N 3.28Å; G501-L504 PolarHBondContact O-N 3.46Å; G501-C505 PolarHBondContact O-N 3.07Å |
| 502 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L106 I459 L484 F498 A499 L500 L504 C505 R506 V511 | L106-A502 VanDerWaalsContact CD1-CA 3.48Å; L106-A502 HydrophobicContact CD1-CB 3.68Å; I459-A502 HydrophobicContact CD1-CB 4.2Å; I459-A502 HydrophobicContact CG2-CB 4.19Å; L484-A502 HydrophobicContact CD1-CB 3.98Å; F498-A502 VanDerWaalsContact O-CB 3.24Å; F498-A502 WeakPolarHBondContact O-CB 3.12Å; F498-A502 PolarHBondContact O-N 3.03Å; A499-A502 PolarHBondContact O-N 2.97Å; L500-A502 PolarHBondContact O-N 2.8Å; A502-L504 VanDerWaalsContact C-N 3.32Å; A502-L504 PolarHBondContact O-N 3.03Å; A502-C505 PolarHBondContact O-N 3.15Å; A502-R506 PolarHBondContact O-N 3Å; A502-V511 HydrophobicContact CB-CG1 4.17Å; A502-V511 HydrophobicContact CB-CG2 4.28Å |
| 503 | K | 98.6 | Very high | 98 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 11% | 0.109 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | -179.9 | -170 | 57 | 170.7 | 177.8 | 0 | 111.7 | A499 L500 R506 P507 S509 V511 T535 P536 V537 | A499-K503 WeakPolarHBondContact O-CB 3.31Å; A499-K503 PolarHBondContact O-N 2.92Å; L500-K503 PolarHBondContact O-N 3.34Å; K503-R506 CarbonylContact O-C 3.28Å; K503-R506 PolarHBondContact O-N 3.2Å; K503-P507 VanDerWaalsContact CE-O 3.25Å; K503-P507 WeakPolarHBondContact CE-O 3.36Å; K503-P507 PolarHBondContact NZ-O 3.18Å; K503-P507 WeakPolarHBondContact O-CA 3.35Å; K503-P507 VanDerWaalsContact O-N 3.09Å; K503-S509 PolarHBondContact NZ-O 3.28Å; K503-V511 HydrophobicContact CB-CG2 4.06Å; K503-V511 HydrophobicContact CD-CG2 3.94Å; K503-T535 HydrophobicContact CG-CG2 4.33Å; K503-P536 WeakPolarHBondContact CE-O 3.36Å; K503-V537 HydrophobicContact CB-CG1 4.48Å |
| 504 | L | 98.1 | Very high | 98.1 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 8% | 0.079 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.6 | -35.9 | 174.9 | -69.9 | 169.6 | 0 | 0 | 0 | 112.8 | F64 F66 R86 V88 L500 G501 A502 T535 | F64-L504 HydrophobicContact CD1-CB 4.49Å; F64-L504 HydrophobicContact CD1-CD1 4.31Å; F64-L504 HydrophobicContact CE1-CB 4.1Å; F64-L504 HydrophobicContact CE1-CD2 4.14Å; F64-L504 HydrophobicContact CE2-CB 4.15Å; F64-L504 HydrophobicContact CZ-CB 3.91Å; F66-L504 HydrophobicContact CE1-CD1 3.54Å; F66-L504 HydrophobicContact CZ-CD1 3.75Å; R86-L504 VanDerWaalsContact NH1-CD2 3.33Å; V88-L504 HydrophobicContact CG1-CD1 4.29Å; V88-L504 HydrophobicContact CG2-CD1 3.89Å; L500-L504 HydrophobicContact CD1-CD1 4.35Å; L500-L504 HydrophobicContact CG-CD1 4.32Å; L500-L504 WeakPolarHBondContact O-CG 3.49Å; L500-L504 PolarHBondContact O-N 2.96Å; L500-L504 VanDerWaalsContact O-N 3.12Å; G501-L504 PolarHBondContact O-N 3.46Å; A502-L504 VanDerWaalsContact C-N 3.32Å; A502-L504 PolarHBondContact O-N 3.03Å; L504-T535 HydrophobicContact CD2-CG2 3.83Å; L504-T535 HydrophobicContact CG-CG2 4.1Å |
| 505 | C | 97.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 19.3 Ų | 19.3 | 20% | 0.203 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.9 | -34.2 | 174.4 | -79.3 | 0 | 0 | 0 | 0 | 113 | L106 G501 A502 | L106-C505 HydrophobicContact CB-CB 4.23Å; L106-C505 HydrophobicContact CD1-CB 4.3Å; G501-C505 PolarHBondContact O-N 3.07Å; A502-C505 PolarHBondContact O-N 3.15Å |
| 506 | R | 97.1 | Very high | 98.2 | Very high | 65 Ų | 65 | 19.7 Ų | 19.7 | 25% | 0.245 | 10% | 0.102 | C | C | . | . | trans | -134.1 | 73 | -175.3 | -57.4 | -64.9 | -178 | 100.4 | 0.2 | 109.6 | I459 A502 K503 E508 S509 | I459-R506 HydrophobicContact CD1-CB 3.74Å; I459-R506 HydrophobicContact CD1-CG 3.72Å; A502-R506 PolarHBondContact O-N 3Å; K503-R506 CarbonylContact O-C 3.28Å; K503-R506 PolarHBondContact O-N 3.2Å; R506-E508 VanDerWaalsContact C-N 3.25Å; R506-E508 PolarHBondContact O-N 3.08Å; R506-S509 PolarHBondContact O-N 3.36Å; R506-S509 VanDerWaalsContact O-N 3.15Å | ||
| 507 | P | 96.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 19.9 Ų | 19.9 | 49% | 0.487 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -30.8 | -172.5 | 23.1 | -34 | 0 | 0 | 0 | 113.7 | K503 | K503-P507 VanDerWaalsContact CE-O 3.25Å; K503-P507 WeakPolarHBondContact CE-O 3.36Å; K503-P507 PolarHBondContact NZ-O 3.18Å; K503-P507 WeakPolarHBondContact O-CA 3.35Å; K503-P507 VanDerWaalsContact O-N 3.09Å |
| 508 | E | 96.3 | Very high | 98 | Very high | 169 Ų | 169 | 20.3 Ų | 20.3 | 79% | 0.79 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -23.4 | -179.8 | -55.3 | -49.2 | 122.7 | 0 | 0 | 113.4 | R506 | R506-E508 VanDerWaalsContact C-N 3.25Å; R506-E508 PolarHBondContact O-N 3.08Å |
| 509 | S | 97.3 | Very high | 97.9 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -78 | 147.9 | -175.1 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | D457 R482 K503 R506 | D457-S509 WeakPolarHBondContact O-CB 3.42Å; D457-S509 PolarHBondContact O-OG 2.87Å; D457-S509 VanDerWaalsContact OD2-CA 3.24Å; D457-S509 WeakPolarHBondContact OD2-CA 3.47Å; D457-S509 VanDerWaalsContact OD2-CB 3.31Å; D457-S509 WeakPolarHBondContact OD2-CB 3.41Å; D457-S509 PolarHBondContact OD2-OG 3.26Å; R482-S509 PolarHBondContact NH1-OG 2.6Å; K503-S509 PolarHBondContact NZ-O 3.28Å; R506-S509 PolarHBondContact O-N 3.36Å; R506-S509 VanDerWaalsContact O-N 3.15Å |
| 510 | E | 97.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 20.3 Ų | 20.3 | 8% | 0.079 | 11% | 0.107 | C | C | . | . | trans | -66.7 | 130.6 | 165.3 | -66.6 | -173.4 | -180 | 0 | 0 | 109.1 | A455 S458 I459 W512 I538 Q601 K605 | A455-E510 HydrophobicContact CB-CG 4.21Å; S458-E510 CarbonylContact C-O 3.6Å; S458-E510 VanDerWaalsContact CA-O 3.29Å; S458-E510 WeakPolarHBondContact CA-O 3.49Å; I459-E510 PolarHBondContact N-O 3.38Å; E510-W512 PolarHBondContact OE2-NE1 3.3Å; E510-I538 HydrophobicContact CG-CD1 4.5Å; E510-Q601 PolarHBondContact OE1-NE2 3.12Å; E510-Q601 PolarHBondContact OE2-NE2 3.27Å; E510-K605 WeakPolarHBondContact OE1-CE 3.26Å; E510-K605 IonicContact OE1-NZ 3.04Å; E510-K605 PolarHBondContact OE1-NZ 3.32Å; E510-K605 VanDerWaalsContact OE1-NZ 3.11Å | ||
| 511 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.6 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | I459 V461 A499 A502 K503 V537 I538 | I459-V511 HydrophobicContact CB-CG2 4.41Å; I459-V511 HydrophobicContact CD1-CG2 4.38Å; V461-V511 HydrophobicContact CG2-CG1 4.19Å; A499-V511 HydrophobicContact CB-CG1 3.92Å; A502-V511 HydrophobicContact CB-CG1 4.17Å; A502-V511 HydrophobicContact CB-CG2 4.28Å; K503-V511 HydrophobicContact CB-CG2 4.06Å; K503-V511 HydrophobicContact CD-CG2 3.94Å; V511-V537 HydrophobicContact CB-CG1 4.2Å; V511-V537 HydrophobicContact CG1-CG1 4.22Å; V511-I538 PolarHBondContact O-N 3.13Å |
| 512 | W | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.6 | -177.3 | -74 | 84.7 | 0 | 0 | 0 | 110.3 | V450 M454 I459 I460 V461 E510 I538 V540 I597 Q601 | V450-W512 HydrophobicContact CG1-CD2 4.42Å; V450-W512 HydrophobicContact CG1-CE3 3.81Å; V450-W512 HydrophobicContact CG1-CH2 4.38Å; V450-W512 HydrophobicContact CG1-CZ3 3.78Å; M454-W512 HydrophobicContact CG-CD2 4.06Å; M454-W512 HydrophobicContact CG-CG 4.13Å; M454-W512 HydrophobicContact CG-CZ2 4.32Å; M454-W512 HydrophobicContact SD-CB 4.32Å; M454-W512 HydrophobicContact SD-CD2 4.37Å; M454-W512 HydrophobicContact SD-CG 3.96Å; I459-W512 PolarHBondContact O-N 3.5Å; I460-W512 CarbonylContact C-O 3.51Å; I460-W512 WeakPolarHBondContact CA-O 3.4Å; V461-W512 PolarHBondContact N-O 3.1Å; E510-W512 PolarHBondContact OE2-NE1 3.3Å; W512-I538 CarbonylContact C-O 3.58Å; W512-I538 WeakPolarHBondContact CA-O 3.14Å; W512-I538 HydrophobicContact CD2-CB 4.09Å; W512-I538 HydrophobicContact CD2-CD1 4.46Å; W512-I538 HydrophobicContact CD2-CG2 4.15Å; W512-I538 HydrophobicContact CE3-CB 4.01Å; W512-I538 HydrophobicContact CE3-CG2 3.61Å; W512-I538 HydrophobicContact CH2-CB 4.32Å; W512-I538 HydrophobicContact CH2-CD1 4.2Å; W512-I538 HydrophobicContact CH2-CG2 3.53Å; W512-I538 HydrophobicContact CZ2-CB 4.41Å; W512-I538 HydrophobicContact CZ2-CD1 3.67Å; W512-I538 HydrophobicContact CZ2-CG2 4.07Å; W512-I538 HydrophobicContact CZ3-CB 4.13Å; W512-I538 HydrophobicContact CZ3-CG2 3.27Å; W512-V540 HydrophobicContact CE3-CG2 4.1Å; W512-V540 HydrophobicContact CZ3-CG2 3.85Å; W512-I597 HydrophobicContact CH2-CG2 3.78Å; W512-Q601 HydrophobicContact CH2-CG 3.98Å; W512-Q601 HydrophobicContact CZ2-CG 3.61Å |
| 513 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.6 | 172.1 | -35 | 179.1 | 0 | 0 | 0 | 109.3 | V461 A499 Y515 F530 V537 I538 S539 V540 | V461-I513 HydrophobicContact CB-CG2 4.11Å; V461-I513 HydrophobicContact CG1-CG2 4.05Å; V461-I513 WeakPolarHBondContact O-CA 3.47Å; A499-I513 HydrophobicContact CB-CD1 3.24Å; A499-I513 HydrophobicContact CB-CG1 3.58Å; I513-Y515 HydrophobicContact CB-CD2 4.02Å; I513-Y515 HydrophobicContact CB-CE2 3.62Å; I513-Y515 HydrophobicContact CD1-CE2 3.95Å; I513-Y515 HydrophobicContact CG1-CE2 4.39Å; I513-Y515 HydrophobicContact CG2-CD1 4.31Å; I513-Y515 HydrophobicContact CG2-CD2 3.68Å; I513-Y515 HydrophobicContact CG2-CE1 3.91Å; I513-Y515 HydrophobicContact CG2-CE2 3.21Å; I513-Y515 HydrophobicContact CG2-CG 4.21Å; I513-F530 HydrophobicContact CD1-CE2 4.3Å; I513-F530 HydrophobicContact CD1-CZ 4.12Å; I513-V537 HydrophobicContact CD1-CB 4.38Å; I513-V537 HydrophobicContact CD1-CG2 4.01Å; I513-I538 PolarHBondContact N-O 3.4Å; I513-S539 CarbonylContact O-C 3.56Å; I513-S539 VanDerWaalsContact O-CA 3.26Å; I513-S539 WeakPolarHBondContact O-CA 3.42Å; I513-V540 PolarHBondContact O-N 2.8Å |
| 514 | I | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 112 | 176.4 | -48.2 | -59.8 | 0 | 0 | 0 | 107.9 | L447 I460 V461 D463 F467 V468 A471 M475 V540 | L447-I514 HydrophobicContact CD2-CG2 4.21Å; I460-I514 HydrophobicContact CG2-CG1 4.08Å; V461-I514 PolarHBondContact O-N 3.41Å; D463-I514 PolarHBondContact N-O 2.77Å; F467-I514 HydrophobicContact CD1-CG2 4.04Å; F467-I514 HydrophobicContact CE1-CG2 3.69Å; V468-I514 HydrophobicContact CG2-CG2 4.31Å; V468-I514 VanDerWaalsContact CG2-O 3.29Å; V468-I514 WeakPolarHBondContact CG2-O 3.27Å; A471-I514 HydrophobicContact CB-CG2 3.81Å; M475-I514 HydrophobicContact CE-CD1 3.79Å; M475-I514 HydrophobicContact CE-CG1 4.09Å; M475-I514 HydrophobicContact SD-CD1 3.71Å; M475-I514 HydrophobicContact SD-CG1 3.68Å; I514-V540 HydrophobicContact CD1-CB 4.14Å; I514-V540 HydrophobicContact CD1-CG2 4.44Å |
| 515 | Y | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.7 | -173.7 | -78.9 | -65.9 | 0 | 0 | 0 | 112.2 | D463 F467 G495 G496 I513 L520 S523 V540 V541 G542 | D463-Y515 HydrophobicContact CB-CD1 3.92Å; D463-Y515 HydrophobicContact CB-CE1 3.88Å; D463-Y515 WeakPolarHBondContact O-CA 3.5Å; D463-Y515 WeakPolarHBondContact OD2-CE1 3.26Å; F467-Y515 VanDerWaalsContact CD1-O 3.25Å; F467-Y515 WeakPolarHBondContact CD1-O 3.24Å; G495-Y515 WeakPolarHBondContact CA-OH 3.33Å; G496-Y515 PolarHBondContact N-OH 3.45Å; I513-Y515 HydrophobicContact CB-CD2 4.02Å; I513-Y515 HydrophobicContact CB-CE2 3.62Å; I513-Y515 HydrophobicContact CD1-CE2 3.95Å; I513-Y515 HydrophobicContact CG1-CE2 4.39Å; I513-Y515 HydrophobicContact CG2-CD1 4.31Å; I513-Y515 HydrophobicContact CG2-CD2 3.68Å; I513-Y515 HydrophobicContact CG2-CE1 3.91Å; I513-Y515 HydrophobicContact CG2-CE2 3.21Å; I513-Y515 HydrophobicContact CG2-CG 4.21Å; Y515-L520 HydrophobicContact CD1-CB 4.04Å; Y515-L520 HydrophobicContact CD1-CD1 4.49Å; Y515-L520 HydrophobicContact CD2-CB 4.46Å; Y515-L520 HydrophobicContact CD2-CD1 3.87Å; Y515-L520 HydrophobicContact CE1-CD1 4.44Å; Y515-L520 HydrophobicContact CE2-CD1 3.8Å; Y515-L520 HydrophobicContact CG-CB 3.96Å; Y515-L520 HydrophobicContact CG-CD1 4.22Å; Y515-S523 VanDerWaalsContact OH-CB 3.25Å; Y515-S523 WeakPolarHBondContact OH-CB 3.42Å; Y515-V540 PolarHBondContact N-O 3.19Å; Y515-V541 WeakPolarHBondContact O-CA 3.36Å; Y515-G542 PolarHBondContact O-N 3.21Å |
| 516 | G | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 151.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D463 G518 S519 L520 | D463-G516 PolarHBondContact O-N 2.9Å; G516-G518 VanDerWaalsContact C-N 3.34Å; G516-G518 PolarHBondContact O-N 3.18Å; G516-S519 PolarHBondContact N-OG 3.42Å; G516-S519 VanDerWaalsContact N-OG 3.16Å; G516-S519 PolarHBondContact O-N 3.13Å; G516-S519 PolarHBondContact O-OG 3.43Å; G516-L520 PolarHBondContact O-N 3.15Å |
| 517 | D | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.6 | -46.4 | 175.3 | 55.7 | -11.2 | 0 | 0 | 0 | 113.5 | S519 L520 G521 V541 G542 N543 A545 C546 Y571 | D517-S519 PolarHBondContact O-N 3.44Å; D517-L520 PolarHBondContact O-N 2.88Å; D517-G521 PolarHBondContact O-N 3.49Å; D517-V541 VanDerWaalsContact CA-CG2 3.49Å; D517-V541 HydrophobicContact CB-CG2 4.1Å; D517-G542 PolarHBondContact N-O 2.74Å; D517-N543 HydrophobicContact CB-CB 4.29Å; D517-A545 WeakPolarHBondContact OD2-CA 3.42Å; D517-A545 PolarHBondContact OD2-N 2.99Å; D517-C546 PolarHBondContact OD2-N 3.08Å; D517-Y571 HydrophobicContact CB-CE2 3.86Å; D517-Y571 PolarHBondContact O-OH 3.44Å |
| 518 | G | 96.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G516 G521 W547 | G516-G518 VanDerWaalsContact C-N 3.34Å; G516-G518 PolarHBondContact O-N 3.18Å; G518-G521 PolarHBondContact O-N 3.11Å; G518-W547 WeakPolarHBondContact O-CH2 3.46Å |
| 519 | S | 97.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -73.5 | -35.8 | 178 | 52 | 0 | 0 | 0 | 0 | 112.7 | D463 G464 G516 D517 G521 Y522 | D463-S519 WeakPolarHBondContact O-CB 3.44Å; D463-S519 PolarHBondContact O-OG 3.32Å; D463-S519 WeakPolarHBondContact OD1-CB 3.41Å; G464-S519 WeakPolarHBondContact CA-OG 3.43Å; G516-S519 PolarHBondContact N-OG 3.42Å; G516-S519 VanDerWaalsContact N-OG 3.16Å; G516-S519 PolarHBondContact O-N 3.13Å; G516-S519 PolarHBondContact O-OG 3.43Å; D517-S519 PolarHBondContact O-N 3.44Å; S519-G521 PolarHBondContact O-N 3.38Å; S519-Y522 PolarHBondContact O-N 3.39Å; S519-Y522 VanDerWaalsContact O-N 3.13Å |
| 520 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.5 | -34.1 | 173.4 | 172.6 | 62.8 | 0 | 0 | 0 | 111.8 | Y515 G516 D517 Y522 S523 V524 V541 Y571 L611 | Y515-L520 HydrophobicContact CD1-CB 4.04Å; Y515-L520 HydrophobicContact CD1-CD1 4.49Å; Y515-L520 HydrophobicContact CD2-CB 4.46Å; Y515-L520 HydrophobicContact CD2-CD1 3.87Å; Y515-L520 HydrophobicContact CE1-CD1 4.44Å; Y515-L520 HydrophobicContact CE2-CD1 3.8Å; Y515-L520 HydrophobicContact CG-CB 3.96Å; Y515-L520 HydrophobicContact CG-CD1 4.22Å; G516-L520 PolarHBondContact O-N 3.15Å; D517-L520 PolarHBondContact O-N 2.88Å; L520-Y522 PolarHBondContact O-N 2.97Å; L520-S523 CarbonylContact O-C 3.53Å; L520-S523 PolarHBondContact O-N 3.4Å; L520-V524 HydrophobicContact CD1-CB 4.11Å; L520-V524 HydrophobicContact CD1-CG2 4.39Å; L520-V524 HydrophobicContact CG-CB 4.26Å; L520-V524 PolarHBondContact O-N 2.71Å; L520-V541 HydrophobicContact CB-CG2 4.27Å; L520-V541 HydrophobicContact CD2-CB 3.95Å; L520-V541 HydrophobicContact CD2-CG1 3.99Å; L520-V541 HydrophobicContact CD2-CG2 3.87Å; L520-Y571 HydrophobicContact CD2-CD1 3.53Å; L520-Y571 HydrophobicContact CD2-CD2 4.02Å; L520-Y571 HydrophobicContact CD2-CE1 4.08Å; L520-Y571 HydrophobicContact CD2-CG 3.5Å; L520-Y571 VanDerWaalsContact CD2-CG 3.5Å; L520-Y571 HydrophobicContact CG-CD1 4.11Å; L520-Y571 HydrophobicContact CG-CE1 4.31Å; L520-L611 HydrophobicContact CD1-CD1 4.26Å; L520-L611 HydrophobicContact CD2-CD1 3.86Å |
| 521 | G | 96.3 | Very high | 98 | Very high | 42 Ų | 42 | 17 Ų | 17 | 43% | 0.433 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -30.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D517 G518 S519 | D517-G521 PolarHBondContact O-N 3.49Å; G518-G521 PolarHBondContact O-N 3.11Å; S519-G521 PolarHBondContact O-N 3.38Å |
| 522 | Y | 97.1 | Very high | 98 | Very high | 150 Ų | 150 | 21 Ų | 21 | 59% | 0.588 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -22.1 | 176.8 | -66.4 | -88.3 | 0 | 0 | 0 | 114 | L492 S519 L520 W547 | L492-Y522 HydrophobicContact CB-CD2 4.5Å; L492-Y522 HydrophobicContact CB-CE2 4.36Å; S519-Y522 PolarHBondContact O-N 3.39Å; S519-Y522 VanDerWaalsContact O-N 3.13Å; L520-Y522 PolarHBondContact O-N 2.97Å; Y522-W547 HydrophobicContact CE2-CH2 4.29Å |
| 523 | S | 96.4 | Very high | 98 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -11 | -171.4 | -72.9 | 0 | 0 | 0 | 0 | 114.1 | G493 G496 Y515 L520 A525 E526 | G493-S523 PolarHBondContact O-OG 3.28Å; G496-S523 PolarHBondContact N-OG 2.88Å; G496-S523 VanDerWaalsContact N-OG 3.07Å; Y515-S523 VanDerWaalsContact OH-CB 3.25Å; Y515-S523 WeakPolarHBondContact OH-CB 3.42Å; L520-S523 CarbonylContact O-C 3.53Å; L520-S523 PolarHBondContact O-N 3.4Å; S523-A525 PolarHBondContact O-N 3.14Å; S523-A525 VanDerWaalsContact O-N 3.14Å; S523-E526 VanDerWaalsContact O-CB 3.29Å; S523-E526 WeakPolarHBondContact O-CB 3.48Å; S523-E526 PolarHBondContact O-N 3.44Å |
| 524 | V | 97.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.3 | -170.5 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | L520 E526 Y527 Y571 V574 Y578 | L520-V524 HydrophobicContact CD1-CB 4.11Å; L520-V524 HydrophobicContact CD1-CG2 4.39Å; L520-V524 HydrophobicContact CG-CB 4.26Å; L520-V524 PolarHBondContact O-N 2.71Å; V524-E526 PolarHBondContact O-N 3.28Å; V524-Y527 WeakPolarHBondContact O-CD2 3.23Å; V524-Y527 PolarHBondContact O-N 3.26Å; V524-Y571 HydrophobicContact CG2-CD1 4.43Å; V524-V574 HydrophobicContact CG1-CG1 4.34Å; V524-V574 HydrophobicContact CG2-CB 4.18Å; V524-V574 HydrophobicContact CG2-CG1 3.59Å; V524-Y578 WeakPolarHBondContact O-CD2 3.44Å |
| 525 | A | 98.3 | Very high | 97.9 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R91 S523 Y527 D528 Y578 | R91-A525 HydrophobicContact CB-CB 4.2Å; R91-A525 HydrophobicContact CG-CB 4.33Å; R91-A525 WeakPolarHBondContact CG-O 3.36Å; S523-A525 PolarHBondContact O-N 3.14Å; S523-A525 VanDerWaalsContact O-N 3.14Å; A525-Y527 PolarHBondContact O-N 3.03Å; A525-D528 PolarHBondContact O-N 3.28Å; A525-Y578 HydrophobicContact CB-CE1 4.48Å; A525-Y578 HydrophobicContact CB-CE2 4.3Å |
| 526 | E | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76 | -5.4 | 179.8 | -56.8 | -62.9 | 166.9 | 0 | 0 | 113.1 | R91 H92 T95 S523 V524 D528 T529 F530 | R91-E526 PolarHBondContact N-OE1 3.04Å; R91-E526 VanDerWaalsContact N-OE1 3.1Å; R91-E526 PolarHBondContact N-OE2 3.23Å; H92-E526 PolarHBondContact N-OE1 3.1Å; T95-E526 VanDerWaalsContact CB-OE1 3.25Å; T95-E526 WeakPolarHBondContact CB-OE1 3.27Å; T95-E526 HydrophobicContact CG2-CG 3.66Å; T95-E526 WeakPolarHBondContact CG2-OE1 3.12Å; T95-E526 PolarHBondContact OG1-OE1 3.12Å; S523-E526 VanDerWaalsContact O-CB 3.29Å; S523-E526 WeakPolarHBondContact O-CB 3.48Å; S523-E526 PolarHBondContact O-N 3.44Å; V524-E526 PolarHBondContact O-N 3.28Å; E526-D528 PolarHBondContact O-N 2.9Å; E526-T529 CarbonylContact O-C 3.46Å; E526-T529 WeakPolarHBondContact O-CA 3.44Å; E526-T529 WeakPolarHBondContact O-CB 3.23Å; E526-T529 PolarHBondContact O-N 3.08Å; E526-T529 WeakPolarHBondContact OE2-CB 3.35Å; E526-T529 PolarHBondContact OE2-OG1 2.94Å; E526-F530 HydrophobicContact CB-CZ 4.48Å; E526-F530 VanDerWaalsContact O-CD2 3.3Å; E526-F530 WeakPolarHBondContact O-CD2 3.28Å; E526-F530 VanDerWaalsContact O-CG 3.3Å; E526-F530 WeakPolarHBondContact O-CG 3.42Å; E526-F530 PolarHBondContact O-N 2.82Å |
| 527 | Y | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -33.1 | 166 | -87.4 | -97.6 | 0 | 0 | 0 | 112.3 | V524 A525 F530 T531 S539 A575 A609 T610 L611 | V524-Y527 WeakPolarHBondContact O-CD2 3.23Å; V524-Y527 PolarHBondContact O-N 3.26Å; A525-Y527 PolarHBondContact O-N 3.03Å; Y527-F530 HydrophobicContact CG-CD2 4.44Å; Y527-T531 WeakPolarHBondContact O-CB 3.31Å; Y527-T531 PolarHBondContact O-N 2.58Å; Y527-T531 VanDerWaalsContact O-N 3.07Å; Y527-T531 PolarHBondContact O-OG1 3.21Å; Y527-S539 WeakPolarHBondContact OH-CB 3.35Å; Y527-S539 PolarHBondContact OH-OG 3.02Å; Y527-A575 HydrophobicContact CD1-CB 3.78Å; Y527-A575 HydrophobicContact CE1-CB 3.88Å; Y527-A575 HydrophobicContact CG-CB 4.11Å; Y527-A609 HydrophobicContact CD1-CB 3.9Å; Y527-A609 HydrophobicContact CE1-CB 4.01Å; Y527-T610 PolarHBondContact OH-O 2.67Å; Y527-L611 HydrophobicContact CE1-CB 3.89Å; Y527-L611 HydrophobicContact CE1-CD1 4.45Å; Y527-L611 HydrophobicContact CE2-CD1 3.73Å; Y527-L611 VanDerWaalsContact OH-CB 3.22Å; Y527-L611 WeakPolarHBondContact OH-CB 3.3Å; Y527-L611 WeakPolarHBondContact OH-CD1 3.39Å; Y527-L611 WeakPolarHBondContact OH-CG 3.26Å |
| 528 | D | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 172.3 | 160.3 | -77.9 | 0 | 0 | 0 | 110.9 | R91 A525 E526 F530 T531 R532 Y578 | R91-D528 IonicContact CZ-OD1 3.1Å; R91-D528 IonicContact CZ-OD2 3.3Å; R91-D528 VanDerWaalsContact NE-CG 3.32Å; R91-D528 IonicContact NE-OD1 3.45Å; R91-D528 PolarHBondContact NE-OD1 3.13Å; R91-D528 IonicContact NE-OD2 3.99Å; R91-D528 IonicContact NH2-OD1 3.08Å; R91-D528 PolarHBondContact NH2-OD1 3.12Å; R91-D528 IonicContact NH2-OD2 2.72Å; R91-D528 PolarHBondContact NH2-OD2 3Å; A525-D528 PolarHBondContact O-N 3.28Å; E526-D528 PolarHBondContact O-N 2.9Å; D528-F530 VanDerWaalsContact C-N 3.34Å; D528-F530 PolarHBondContact O-N 2.65Å; D528-T531 WeakPolarHBondContact O-CB 3.48Å; D528-T531 PolarHBondContact O-N 3.38Å; D528-R532 WeakPolarHBondContact O-CG 3.19Å; D528-R532 PolarHBondContact O-N 3.3Å; D528-R532 IonicContact OD1-CZ 2.83Å; D528-R532 IonicContact OD1-NE 3.86Å; D528-R532 PolarHBondContact OD1-NE 3.39Å; D528-R532 IonicContact OD1-NH2 3.94Å; D528-R532 IonicContact OD2-NE 3.67Å; D528-Y578 VanDerWaalsContact CA-O 3.31Å; D528-Y578 WeakPolarHBondContact CA-O 3.31Å; D528-Y578 HydrophobicContact CB-CD1 3.71Å; D528-Y578 HydrophobicContact CB-CG 4.2Å |
| 529 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | D89 T90 L500 E526 T531 R532 H533 | D89-T529 WeakPolarHBondContact O-CG2 3.25Å; T90-T529 HydrophobicContact CG2-CG2 4.34Å; L500-T529 HydrophobicContact CD1-CG2 4.32Å; L500-T529 HydrophobicContact CD2-CG2 3.81Å; E526-T529 CarbonylContact O-C 3.46Å; E526-T529 WeakPolarHBondContact O-CA 3.44Å; E526-T529 WeakPolarHBondContact O-CB 3.23Å; E526-T529 PolarHBondContact O-N 3.08Å; E526-T529 WeakPolarHBondContact OE2-CB 3.35Å; E526-T529 PolarHBondContact OE2-OG1 2.94Å; T529-T531 VanDerWaalsContact C-N 3.26Å; T529-T531 PolarHBondContact O-N 3.09Å; T529-R532 PolarHBondContact O-N 3.32Å; T529-R532 PolarHBondContact OG1-NH2 2.56Å; T529-R532 VanDerWaalsContact OG1-NH2 3.07Å; T529-H533 WeakPolarHBondContact O-CB 3.48Å; T529-H533 PolarHBondContact O-CD2 3.01Å; T529-H533 PolarHBondContact O-N 3.38Å |
| 530 | F | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 176.5 | -60 | -38.3 | 0 | 0 | 0 | 112.2 | A499 L500 I513 E526 Y527 D528 K534 T535 V537 A609 | A499-F530 HydrophobicContact CB-CE1 4.42Å; A499-F530 HydrophobicContact CB-CZ 4.17Å; L500-F530 HydrophobicContact CB-CE1 3.99Å; L500-F530 HydrophobicContact CD1-CD1 4.25Å; L500-F530 HydrophobicContact CD1-CE1 4.48Å; I513-F530 HydrophobicContact CD1-CE2 4.3Å; I513-F530 HydrophobicContact CD1-CZ 4.12Å; E526-F530 HydrophobicContact CB-CZ 4.48Å; E526-F530 VanDerWaalsContact O-CD2 3.3Å; E526-F530 WeakPolarHBondContact O-CD2 3.28Å; E526-F530 VanDerWaalsContact O-CG 3.3Å; E526-F530 WeakPolarHBondContact O-CG 3.42Å; E526-F530 PolarHBondContact O-N 2.82Å; Y527-F530 HydrophobicContact CG-CD2 4.44Å; D528-F530 VanDerWaalsContact C-N 3.34Å; D528-F530 PolarHBondContact O-N 2.65Å; F530-K534 WeakPolarHBondContact O-CA 3.15Å; F530-K534 PolarHBondContact O-N 3.19Å; F530-T535 WeakPolarHBondContact CA-OG1 3.47Å; F530-T535 PolarHBondContact O-N 3.22Å; F530-V537 HydrophobicContact CD1-CG1 4.47Å; F530-V537 HydrophobicContact CD1-CG2 4.46Å; F530-V537 HydrophobicContact CD2-CG2 3.54Å; F530-V537 HydrophobicContact CE1-CG1 4.32Å; F530-V537 HydrophobicContact CE1-CG2 4.38Å; F530-V537 HydrophobicContact CE2-CG2 3.49Å; F530-V537 VanDerWaalsContact CE2-CG2 3.49Å; F530-V537 HydrophobicContact CG-CG2 4.06Å; F530-V537 HydrophobicContact CZ-CG1 4.49Å; F530-V537 HydrophobicContact CZ-CG2 3.92Å; F530-A609 HydrophobicContact CB-CB 3.69Å; F530-A609 HydrophobicContact CD2-CB 3.91Å; F530-A609 HydrophobicContact CG-CB 4.2Å |
| 531 | T | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 30.9 Ų | 30.9 | 35% | 0.35 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.7 | -51.5 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | Y527 D528 T529 H533 K534 G579 | Y527-T531 WeakPolarHBondContact O-CB 3.31Å; Y527-T531 PolarHBondContact O-N 2.58Å; Y527-T531 VanDerWaalsContact O-N 3.07Å; Y527-T531 PolarHBondContact O-OG1 3.21Å; D528-T531 WeakPolarHBondContact O-CB 3.48Å; D528-T531 PolarHBondContact O-N 3.38Å; T529-T531 VanDerWaalsContact C-N 3.26Å; T529-T531 PolarHBondContact O-N 3.09Å; T531-H533 VanDerWaalsContact C-N 3.33Å; T531-H533 PolarHBondContact O-N 2.85Å; T531-K534 PolarHBondContact O-N 3.04Å; T531-G579 PolarHBondContact OG1-O 3.33Å |
| 532 | R | 97.8 | Very high | 98.2 | Very high | 85 Ų | 85 | 29 Ų | 29 | 32% | 0.321 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.9 | -40.7 | -180 | -69.9 | -177.3 | -58.8 | 100.1 | -1.7 | 112.4 | D89 D528 T529 | D89-R532 PolarHBondContact O-NH2 2.69Å; D89-R532 IonicContact OD1-CZ 3.24Å; D89-R532 IonicContact OD1-NH1 2.73Å; D89-R532 PolarHBondContact OD1-NH1 3.03Å; D89-R532 IonicContact OD2-CZ 3.8Å; D89-R532 VanDerWaalsContact OD2-CZ 3.3Å; D89-R532 IonicContact OD2-NH1 3.2Å; D89-R532 PolarHBondContact OD2-NH1 3.45Å; D89-R532 IonicContact OD2-NH2 2.81Å; D89-R532 PolarHBondContact OD2-NH2 2.9Å; D528-R532 WeakPolarHBondContact O-CG 3.19Å; D528-R532 PolarHBondContact O-N 3.3Å; D528-R532 IonicContact OD1-CZ 2.83Å; D528-R532 IonicContact OD1-NE 3.86Å; D528-R532 PolarHBondContact OD1-NE 3.39Å; D528-R532 IonicContact OD1-NH2 3.94Å; D528-R532 IonicContact OD2-NE 3.67Å; T529-R532 PolarHBondContact O-N 3.32Å; T529-R532 PolarHBondContact OG1-NH2 2.56Å; T529-R532 VanDerWaalsContact OG1-NH2 3.07Å |
| 533 | H | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 11% | 0.106 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -90.3 | 0 | -178 | -74.3 | -70.9 | 0 | 0 | 0 | 114.4 | R86 D89 T529 T531 T535 | R86-H533 PolarHBondContact NH2-O 3.08Å; D89-H533 PolarHBondContact N-NE2 3.33Å; D89-H533 PolarHBondContact O-NE2 3Å; D89-H533 IonicContact OD1-CE1 3.55Å; D89-H533 PolarHBondContact OD1-CE1 3.5Å; D89-H533 IonicContact OD1-NE2 2.94Å; D89-H533 PolarHBondContact OD1-NE2 2.71Å; T529-H533 WeakPolarHBondContact O-CB 3.48Å; T529-H533 PolarHBondContact O-CD2 3.01Å; T529-H533 PolarHBondContact O-N 3.38Å; T531-H533 VanDerWaalsContact C-N 3.33Å; T531-H533 PolarHBondContact O-N 2.85Å; H533-T535 VanDerWaalsContact C-N 3.28Å; H533-T535 HydrophobicContact CB-CG2 4.19Å; H533-T535 PolarHBondContact O-N 3.17Å |
| 534 | K | 97.7 | Very high | 98.3 | Very high | 176 Ų | 176 | 23.1 Ų | 23.1 | 77% | 0.765 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 47.5 | -178.4 | -56.2 | -179.6 | -179.8 | -179.6 | 0 | 111.9 | F530 T531 P536 | F530-K534 WeakPolarHBondContact O-CA 3.15Å; F530-K534 PolarHBondContact O-N 3.19Å; T531-K534 PolarHBondContact O-N 3.04Å; K534-P536 WeakPolarHBondContact O-CD 3.42Å |
| 535 | T | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | trans | -111 | 75.9 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 108.7 | L500 K503 L504 F530 H533 V537 | L500-T535 HydrophobicContact CD1-CG2 3.98Å; L500-T535 WeakPolarHBondContact CD1-OG1 3.17Å; K503-T535 HydrophobicContact CG-CG2 4.33Å; L504-T535 HydrophobicContact CD2-CG2 3.83Å; L504-T535 HydrophobicContact CG-CG2 4.1Å; F530-T535 WeakPolarHBondContact CA-OG1 3.47Å; F530-T535 PolarHBondContact O-N 3.22Å; H533-T535 VanDerWaalsContact C-N 3.28Å; H533-T535 HydrophobicContact CB-CG2 4.19Å; H533-T535 PolarHBondContact O-N 3.17Å; T535-V537 PolarHBondContact O-N 3.18Å | ||
| 536 | P | 97.3 | Very high | 98.2 | Very high | 20 Ų | 20 | 21.9 Ų | 21.9 | 13% | 0.13 | 11% | 0.107 | C | C | . | . | trans | -64.2 | 133.2 | -177.4 | 27.2 | -35.2 | 0 | 0 | 0 | 110.5 | K503 K534 A604 | K503-P536 WeakPolarHBondContact CE-O 3.36Å; K534-P536 WeakPolarHBondContact O-CD 3.42Å; P536-A604 WeakPolarHBondContact CB-O 3.34Å; P536-A604 WeakPolarHBondContact CG-O 3.32Å | ||
| 537 | V | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | trans | -131 | 159.7 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | A499 K503 V511 I513 F530 T535 A609 T610 | A499-V537 HydrophobicContact CB-CG1 4.07Å; K503-V537 HydrophobicContact CB-CG1 4.48Å; V511-V537 HydrophobicContact CB-CG1 4.2Å; V511-V537 HydrophobicContact CG1-CG1 4.22Å; I513-V537 HydrophobicContact CD1-CB 4.38Å; I513-V537 HydrophobicContact CD1-CG2 4.01Å; F530-V537 HydrophobicContact CD1-CG1 4.47Å; F530-V537 HydrophobicContact CD1-CG2 4.46Å; F530-V537 HydrophobicContact CD2-CG2 3.54Å; F530-V537 HydrophobicContact CE1-CG1 4.32Å; F530-V537 HydrophobicContact CE1-CG2 4.38Å; F530-V537 HydrophobicContact CE2-CG2 3.49Å; F530-V537 VanDerWaalsContact CE2-CG2 3.49Å; F530-V537 HydrophobicContact CG-CG2 4.06Å; F530-V537 HydrophobicContact CZ-CG1 4.49Å; F530-V537 HydrophobicContact CZ-CG2 3.92Å; T535-V537 PolarHBondContact O-N 3.18Å; V537-A609 HydrophobicContact CG2-CB 4.02Å; V537-A609 CarbonylContact O-C 3.53Å; V537-A609 WeakPolarHBondContact O-CA 3.21Å; V537-T610 PolarHBondContact O-N 3.26Å | ||
| 538 | I | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.7 | 175.9 | -53.9 | 161.5 | 0 | 0 | 0 | 107.4 | E510 V511 W512 I513 Q601 A604 L612 | E510-I538 HydrophobicContact CG-CD1 4.5Å; V511-I538 PolarHBondContact O-N 3.13Å; W512-I538 CarbonylContact C-O 3.58Å; W512-I538 WeakPolarHBondContact CA-O 3.14Å; W512-I538 HydrophobicContact CD2-CB 4.09Å; W512-I538 HydrophobicContact CD2-CD1 4.46Å; W512-I538 HydrophobicContact CD2-CG2 4.15Å; W512-I538 HydrophobicContact CE3-CB 4.01Å; W512-I538 HydrophobicContact CE3-CG2 3.61Å; W512-I538 HydrophobicContact CH2-CB 4.32Å; W512-I538 HydrophobicContact CH2-CD1 4.2Å; W512-I538 HydrophobicContact CH2-CG2 3.53Å; W512-I538 HydrophobicContact CZ2-CB 4.41Å; W512-I538 HydrophobicContact CZ2-CD1 3.67Å; W512-I538 HydrophobicContact CZ2-CG2 4.07Å; W512-I538 HydrophobicContact CZ3-CB 4.13Å; W512-I538 HydrophobicContact CZ3-CG2 3.27Å; I513-I538 PolarHBondContact N-O 3.4Å; I538-Q601 HydrophobicContact CD1-CB 4.33Å; I538-Q601 HydrophobicContact CD1-CG 3.72Å; I538-A604 HydrophobicContact CD1-CB 4Å; I538-A604 HydrophobicContact CG1-CB 3.49Å; I538-A604 VanDerWaalsContact CG1-CB 3.49Å; I538-L612 HydrophobicContact CG2-CD1 3.97Å |
| 539 | S | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.6 | 178.6 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | I513 Y527 T610 L612 | I513-S539 CarbonylContact O-C 3.56Å; I513-S539 VanDerWaalsContact O-CA 3.26Å; I513-S539 WeakPolarHBondContact O-CA 3.42Å; Y527-S539 WeakPolarHBondContact OH-CB 3.35Å; Y527-S539 PolarHBondContact OH-OG 3.02Å; S539-T610 PolarHBondContact N-O 2.88Å; S539-L612 WeakPolarHBondContact O-CD1 3.43Å; S539-L612 PolarHBondContact O-N 3.48Å |
| 540 | V | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.8 | 169.4 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | V446 V450 F467 W512 I513 I514 Y515 L612 V614 | V446-V540 HydrophobicContact CG1-CG1 4.23Å; V450-V540 HydrophobicContact CG2-CG2 4Å; F467-V540 HydrophobicContact CE1-CG1 4.42Å; F467-V540 HydrophobicContact CZ-CG1 4.34Å; W512-V540 HydrophobicContact CE3-CG2 4.1Å; W512-V540 HydrophobicContact CZ3-CG2 3.85Å; I513-V540 PolarHBondContact O-N 2.8Å; I514-V540 HydrophobicContact CD1-CB 4.14Å; I514-V540 HydrophobicContact CD1-CG2 4.44Å; Y515-V540 PolarHBondContact N-O 3.19Å; V540-L612 HydrophobicContact CG2-CB 4.45Å; V540-L612 HydrophobicContact CG2-CD1 4.17Å; V540-V614 HydrophobicContact CG1-CG2 3.93Å |
| 541 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.9 | 172.8 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | Y515 D517 L520 N543 L611 L612 N613 V614 | Y515-V541 WeakPolarHBondContact O-CA 3.36Å; D517-V541 VanDerWaalsContact CA-CG2 3.49Å; D517-V541 HydrophobicContact CB-CG2 4.1Å; L520-V541 HydrophobicContact CB-CG2 4.27Å; L520-V541 HydrophobicContact CD2-CB 3.95Å; L520-V541 HydrophobicContact CD2-CG1 3.99Å; L520-V541 HydrophobicContact CD2-CG2 3.87Å; V541-N543 PolarHBondContact O-N 3.26Å; V541-L611 HydrophobicContact CG1-CD2 3.86Å; V541-L612 WeakPolarHBondContact CG1-O 3.3Å; V541-L612 PolarHBondContact N-O 2.94Å; V541-N613 HydrophobicContact CG1-CB 4.15Å; V541-N613 WeakPolarHBondContact CG1-OD1 3.47Å; V541-V614 PolarHBondContact O-N 2.97Å |
| 542 | G | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 100.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y515 D517 | Y515-G542 PolarHBondContact O-N 3.21Å; D517-G542 PolarHBondContact N-O 2.74Å |
| 543 | N | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 96.6 | -178.9 | -170.6 | -14.7 | 0 | 0 | 0 | 110 | D517 V541 A545 F568 T569 N613 V614 L615 I616 | D517-N543 HydrophobicContact CB-CB 4.29Å; V541-N543 PolarHBondContact O-N 3.26Å; N543-A545 PolarHBondContact OD1-N 3.05Å; N543-F568 WeakPolarHBondContact O-CE1 3.33Å; N543-F568 WeakPolarHBondContact OD1-CD1 3.38Å; N543-T569 PolarHBondContact ND2-O 3.47Å; N543-N613 WeakPolarHBondContact CB-OD1 3.45Å; N543-N613 PolarHBondContact ND2-OD1 3.41Å; N543-V614 PolarHBondContact N-O 2.83Å; N543-L615 HydrophobicContact CB-CD2 4.22Å; N543-L615 WeakPolarHBondContact O-CA 3.26Å; N543-I616 PolarHBondContact O-N 2.93Å |
| 544 | D | 97.5 | Very high | 96.2 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | trans | -105 | 7.2 | 171.2 | 60.9 | 3.6 | 0 | 0 | 0 | 112.5 | C546 S548 I616 | D544-C546 VanDerWaalsContact C-N 3.25Å; D544-C546 PolarHBondContact O-N 3.01Å; D544-C546 PolarHBondContact OD1-N 3.26Å; D544-C546 VanDerWaalsContact OD1-N 3.16Å; D544-C546 VanDerWaalsContact OD1-O 3.1Å; D544-S548 WeakPolarHBondContact OD2-CB 3.29Å; D544-S548 PolarHBondContact OD2-OG 3.36Å; D544-I616 HydrophobicContact CB-CD1 4.21Å; D544-I616 HydrophobicContact CB-CG1 3.95Å | ||
| 545 | A | 97.6 | Very high | 96 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 53.3 | 42 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | D517 N543 L566 F568 | D517-A545 WeakPolarHBondContact OD2-CA 3.42Å; D517-A545 PolarHBondContact OD2-N 2.99Å; N543-A545 PolarHBondContact OD1-N 3.05Å; A545-L566 WeakPolarHBondContact O-CA 3.47Å; A545-L566 PolarHBondContact O-N 2.77Å; A545-F568 HydrophobicContact CB-CD1 3.77Å; A545-F568 HydrophobicContact CB-CD2 3.8Å; A545-F568 HydrophobicContact CB-CE1 3.8Å; A545-F568 HydrophobicContact CB-CE2 3.82Å; A545-F568 HydrophobicContact CB-CG 3.78Å; A545-F568 HydrophobicContact CB-CZ 3.82Å |
| 546 | C | 96.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -157.9 | 143.3 | -172.2 | -169.1 | 0 | 0 | 0 | 0 | 114.3 | D517 D544 S548 C564 | D517-C546 PolarHBondContact OD2-N 3.08Å; D544-C546 VanDerWaalsContact C-N 3.25Å; D544-C546 PolarHBondContact O-N 3.01Å; D544-C546 PolarHBondContact OD1-N 3.26Å; D544-C546 VanDerWaalsContact OD1-N 3.16Å; D544-C546 VanDerWaalsContact OD1-O 3.1Å; C546-S548 WeakPolarHBondContact CB-OG 3.27Å; C546-S548 PolarHBondContact O-N 2.97Å; C546-S548 PolarHBondContact SG-OG 3.13Å; C546-C564 CarbonylContact C-O 3.59Å; C546-C564 WeakPolarHBondContact CA-O 3.4Å |
| 547 | W | 96.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 34.8 Ų | 34.8 | 29% | 0.292 | 18% | 0.181 | S | C | . | . | trans | -72.7 | 60.6 | 157.1 | -61.2 | 112.8 | 0 | 0 | 0 | 110.6 | L492 G518 Y522 Q549 I550 S551 C564 L566 | L492-W547 HydrophobicContact CD1-CH2 4.29Å; L492-W547 HydrophobicContact CD1-CZ3 3.74Å; G518-W547 WeakPolarHBondContact O-CH2 3.46Å; Y522-W547 HydrophobicContact CE2-CH2 4.29Å; W547-Q549 PolarHBondContact O-N 3.19Å; W547-Q549 VanDerWaalsContact O-N 3.12Å; W547-I550 PolarHBondContact O-N 2.97Å; W547-S551 PolarHBondContact O-N 2.91Å; W547-C564 HydrophobicContact CB-CB 4.38Å; W547-C564 PolarHBondContact N-O 3.36Å; W547-L566 HydrophobicContact CD2-CD1 4.31Å; W547-L566 HydrophobicContact CZ2-CD1 4.41Å; W547-L566 HydrophobicContact CZ2-CD2 4.47Å | ||
| 548 | S | 94.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -32.8 | -167.6 | -82.4 | 0 | 0 | 0 | 0 | 114.4 | D544 C546 I550 S551 R552 | D544-S548 WeakPolarHBondContact OD2-CB 3.29Å; D544-S548 PolarHBondContact OD2-OG 3.36Å; C546-S548 WeakPolarHBondContact CB-OG 3.27Å; C546-S548 PolarHBondContact O-N 2.97Å; C546-S548 PolarHBondContact SG-OG 3.13Å; S548-I550 PolarHBondContact O-N 3.3Å; S548-S551 PolarHBondContact O-N 3.18Å; S548-R552 WeakPolarHBondContact O-CB 3.36Å; S548-R552 WeakPolarHBondContact O-CG 3.38Å; S548-R552 PolarHBondContact O-N 3.49Å |
| 549 | Q | 92.6 | Very high | 95.3 | Very high | 61 Ų | 61 | 44 Ų | 44 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 177.3 | -177.4 | 165 | -45 | 0 | 0 | 111.8 | D466 W547 S627 | D466-Q549 HydrophobicContact CB-CB 4.18Å; W547-Q549 PolarHBondContact O-N 3.19Å; W547-Q549 VanDerWaalsContact O-N 3.12Å; Q549-S627 WeakPolarHBondContact CG-OG 3.49Å; Q549-S627 PolarHBondContact O-OG 2.57Å |
| 550 | I | 93.8 | Very high | 95.2 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -80.5 | -46.4 | 176.9 | -52.5 | -54 | 0 | 0 | 0 | 110.3 | W547 S548 R552 E553 Q554 | W547-I550 PolarHBondContact O-N 2.97Å; S548-I550 PolarHBondContact O-N 3.3Å; I550-R552 VanDerWaalsContact C-N 3.25Å; I550-R552 PolarHBondContact O-N 3.41Å; I550-E553 PolarHBondContact O-N 2.87Å; I550-E553 VanDerWaalsContact O-N 3.1Å; I550-Q554 HydrophobicContact CG2-CB 4.45Å; I550-Q554 WeakPolarHBondContact O-CB 3.13Å; I550-Q554 PolarHBondContact O-N 3.44Å |
| 551 | S | 93.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54 | -39.7 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | W547 S548 E553 Q554 V555 N561 | W547-S551 PolarHBondContact O-N 2.91Å; S548-S551 PolarHBondContact O-N 3.18Å; S551-E553 PolarHBondContact O-N 3.15Å; S551-Q554 PolarHBondContact O-N 3.15Å; S551-V555 WeakPolarHBondContact O-CB 3.41Å; S551-V555 WeakPolarHBondContact O-CG2 3.22Å; S551-V555 PolarHBondContact O-N 3.35Å; S551-N561 WeakPolarHBondContact CB-OD1 3.36Å; S551-N561 PolarHBondContact OG-OD1 3.32Å |
| 552 | R | 91 | Very high | 95 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 25% | 0.253 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -25.9 | -179.7 | -79.8 | 175.2 | -175.7 | -74 | 6.8 | 114.6 | D466 S548 I550 P556 T619 | D466-R552 IonicContact OD1-NE 3.55Å; D466-R552 PolarHBondContact OD1-NE 3.1Å; D466-R552 IonicContact OD2-CZ 2.7Å; D466-R552 VanDerWaalsContact OD2-CZ 3.24Å; D466-R552 IonicContact OD2-NE 2.76Å; D466-R552 PolarHBondContact OD2-NE 2.83Å; D466-R552 IonicContact OD2-NH2 3.62Å; D466-R552 PolarHBondContact OD2-NH2 3.41Å; S548-R552 WeakPolarHBondContact O-CB 3.36Å; S548-R552 WeakPolarHBondContact O-CG 3.38Å; S548-R552 PolarHBondContact O-N 3.49Å; I550-R552 VanDerWaalsContact C-N 3.25Å; I550-R552 PolarHBondContact O-N 3.41Å; R552-P556 WeakPolarHBondContact O-CD 3.33Å; R552-P556 VanDerWaalsContact O-CG 3.3Å; R552-P556 WeakPolarHBondContact O-CG 3.31Å; R552-T619 VanDerWaalsContact CZ-O 3.29Å; R552-T619 PolarHBondContact NH1-O 2.87Å; R552-T619 PolarHBondContact NH2-O 3.45Å |
| 553 | E | 90.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 20% | 0.201 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -103.5 | -41.5 | 175.8 | -68 | -163.2 | 122.7 | 0 | 0 | 111.5 | I550 S551 V555 P556 I557 I626 S627 | I550-E553 PolarHBondContact O-N 2.87Å; I550-E553 VanDerWaalsContact O-N 3.1Å; S551-E553 PolarHBondContact O-N 3.15Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.18Å; E553-P556 WeakPolarHBondContact O-CD 3.16Å; E553-I557 HydrophobicContact CB-CD1 4.02Å; E553-I557 WeakPolarHBondContact O-CB 2.9Å; E553-I557 VanDerWaalsContact O-CG1 3.23Å; E553-I557 WeakPolarHBondContact O-CG1 3.45Å; E553-I557 PolarHBondContact O-N 2.71Å; E553-I626 WeakPolarHBondContact OE1-CA 3.41Å; E553-S627 WeakPolarHBondContact OE2-CA 3.22Å; E553-S627 WeakPolarHBondContact OE2-CB 3.47Å; E553-S627 PolarHBondContact OE2-N 3.04Å; E553-S627 VanDerWaalsContact OE2-O 3.12Å |
| 554 | Q | 93.3 | Very high | 94.8 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | -176.9 | -161.2 | -175.4 | -68 | 0 | 0 | 112 | I550 S551 L558 G559 S560 V562 C564 | I550-Q554 HydrophobicContact CG2-CB 4.45Å; I550-Q554 WeakPolarHBondContact O-CB 3.13Å; I550-Q554 PolarHBondContact O-N 3.44Å; S551-Q554 PolarHBondContact O-N 3.15Å; Q554-L558 HydrophobicContact CG-CD1 4.16Å; Q554-L558 CarbonylContact O-C 3.48Å; Q554-L558 WeakPolarHBondContact O-CA 3.43Å; Q554-L558 VanDerWaalsContact O-CB 3.26Å; Q554-L558 WeakPolarHBondContact O-CB 3.42Å; Q554-L558 PolarHBondContact O-N 3.06Å; Q554-G559 PolarHBondContact O-N 3.18Å; Q554-S560 CarbonylContact C-O 3.58Å; Q554-S560 VanDerWaalsContact CG-O 3.29Å; Q554-S560 WeakPolarHBondContact CG-O 3.37Å; Q554-S560 PolarHBondContact NE2-O 3.25Å; Q554-V562 PolarHBondContact NE2-O 2.84Å; Q554-C564 PolarHBondContact OE1-SG 3.34Å |
| 555 | V | 93.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.2 | -52.5 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | S551 E553 I557 G559 N561 | S551-V555 WeakPolarHBondContact O-CB 3.41Å; S551-V555 WeakPolarHBondContact O-CG2 3.22Å; S551-V555 PolarHBondContact O-N 3.35Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.18Å; V555-I557 PolarHBondContact O-N 2.74Å; V555-G559 WeakPolarHBondContact O-CA 3.49Å; V555-G559 PolarHBondContact O-N 3.22Å; V555-N561 HydrophobicContact CG2-CB 3.68Å |
| 556 | P | 92.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 67% | 0.669 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.8 | -33 | -179.6 | -23.5 | 37.1 | 0 | 0 | 0 | 114.2 | R552 E553 | R552-P556 WeakPolarHBondContact O-CD 3.33Å; R552-P556 VanDerWaalsContact O-CG 3.3Å; R552-P556 WeakPolarHBondContact O-CG 3.31Å; E553-P556 WeakPolarHBondContact O-CD 3.16Å |
| 557 | I | 93.3 | Very high | 94.8 | Very high | 122 Ų | 122 | 64.7 Ų | 64.7 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -87.7 | -43.4 | -175.5 | -58.8 | 172.9 | 0 | 0 | 0 | 111.6 | E553 V555 | E553-I557 HydrophobicContact CB-CD1 4.02Å; E553-I557 WeakPolarHBondContact O-CB 2.9Å; E553-I557 VanDerWaalsContact O-CG1 3.23Å; E553-I557 WeakPolarHBondContact O-CG1 3.45Å; E553-I557 PolarHBondContact O-N 2.71Å; V555-I557 PolarHBondContact O-N 2.74Å |
| 558 | L | 95.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 65.7 Ų | 65.7 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -110.9 | -4.3 | -172.2 | -52.7 | 177.3 | 0 | 0 | 0 | 113.3 | Q554 S560 | Q554-L558 HydrophobicContact CG-CD1 4.16Å; Q554-L558 CarbonylContact O-C 3.48Å; Q554-L558 WeakPolarHBondContact O-CA 3.43Å; Q554-L558 VanDerWaalsContact O-CB 3.26Å; Q554-L558 WeakPolarHBondContact O-CB 3.42Å; Q554-L558 PolarHBondContact O-N 3.06Å; L558-S560 VanDerWaalsContact C-N 3.3Å; L558-S560 PolarHBondContact O-N 3.24Å |
| 559 | G | 96.9 | Very high | 95 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 68% | 0.68 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 73.8 | 11.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q554 V555 | Q554-G559 PolarHBondContact O-N 3.18Å; V555-G559 WeakPolarHBondContact O-CA 3.49Å; V555-G559 PolarHBondContact O-N 3.22Å |
| 560 | S | 96.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | trans | -140.9 | 138.9 | -173.6 | 179.2 | 0 | 0 | 0 | 0 | 113 | Q554 L558 V562 | Q554-S560 CarbonylContact C-O 3.58Å; Q554-S560 VanDerWaalsContact CG-O 3.29Å; Q554-S560 WeakPolarHBondContact CG-O 3.37Å; Q554-S560 PolarHBondContact NE2-O 3.25Å; L558-S560 VanDerWaalsContact C-N 3.3Å; L558-S560 PolarHBondContact O-N 3.24Å; S560-V562 WeakPolarHBondContact OG-CB 3.35Å; S560-V562 PolarHBondContact OG-N 2.9Å | ||
| 561 | N | 95.2 | Very high | 95.5 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | trans | -97.2 | 19.6 | 173 | -164.2 | 52.4 | 0 | 0 | 0 | 112.8 | S551 V555 A563 C564 | S551-N561 WeakPolarHBondContact CB-OD1 3.36Å; S551-N561 PolarHBondContact OG-OD1 3.32Å; V555-N561 HydrophobicContact CG2-CB 3.68Å; N561-A563 PolarHBondContact O-N 3.5Å; N561-C564 PolarHBondContact O-N 3.28Å; N561-C564 VanDerWaalsContact O-N 3.16Å; N561-C564 VanDerWaalsContact OD1-CB 3.27Å; N561-C564 WeakPolarHBondContact OD1-CB 3.31Å | ||
| 562 | V | 97.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 67 Ų | 67 | 60% | 0.6 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 134.2 | -176.3 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | Q554 S560 C564 | Q554-V562 PolarHBondContact NE2-O 2.84Å; S560-V562 WeakPolarHBondContact OG-CB 3.35Å; S560-V562 PolarHBondContact OG-N 2.9Å; V562-C564 PolarHBondContact O-N 2.85Å |
| 563 | A | 96.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 67.4 Ų | 67.4 | 74% | 0.744 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 8.9 | 179 | 0 | 0 | 0 | 0 | 0 | 116.5 | N561 | N561-A563 PolarHBondContact O-N 3.5Š|
| 564 | C | 96.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.027 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -23.1 | 175.5 | -70.4 | 0 | 0 | 0 | 0 | 113.2 | C546 W547 Q554 N561 V562 | C546-C564 CarbonylContact C-O 3.59Å; C546-C564 WeakPolarHBondContact CA-O 3.4Å; W547-C564 HydrophobicContact CB-CB 4.38Å; W547-C564 PolarHBondContact N-O 3.36Å; Q554-C564 PolarHBondContact OE1-SG 3.34Å; N561-C564 PolarHBondContact O-N 3.28Å; N561-C564 VanDerWaalsContact O-N 3.16Å; N561-C564 VanDerWaalsContact OD1-CB 3.27Å; N561-C564 WeakPolarHBondContact OD1-CB 3.31Å; V562-C564 PolarHBondContact O-N 2.85Å |
| 565 | G | 97.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 66 Ų | 66 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -72.3 | 135.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 566 | L | 97.1 | Very high | 97 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | trans | -115.5 | -175.3 | 168.5 | -60.5 | 174.3 | 0 | 0 | 0 | 109.3 | A545 W547 | A545-L566 WeakPolarHBondContact O-CA 3.47Å; A545-L566 PolarHBondContact O-N 2.77Å; W547-L566 HydrophobicContact CD2-CD1 4.31Å; W547-L566 HydrophobicContact CZ2-CD1 4.41Å; W547-L566 HydrophobicContact CZ2-CD2 4.47Å | ||
| 567 | A | 96.6 | Very high | 97.2 | Very high | 63 Ų | 63 | 64.6 Ų | 64.6 | 52% | 0.521 | 42% | 0.415 | S | S | . | . | trans | -104.8 | 148.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T569 | A567-T569 PolarHBondContact O-N 3.46Å; A567-T569 PolarHBondContact O-OG1 3.26Å | ||
| 568 | F | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | trans | -67.5 | 75.7 | 166.1 | -72.9 | -69.7 | 0 | 0 | 0 | 109.8 | H440 N543 A545 L615 | H440-F568 AromaticContact CD2-CZ 3.84Å; H440-F568 AromaticContact NE2-CE1 3.93Å; H440-F568 AromaticContact NE2-CE2 3.98Å; H440-F568 AromaticContact NE2-CZ 3.49Å; H440-F568 WeakPolarHBondContact NE2-CZ 3.24Å; N543-F568 WeakPolarHBondContact O-CE1 3.33Å; N543-F568 WeakPolarHBondContact OD1-CD1 3.38Å; A545-F568 HydrophobicContact CB-CD1 3.77Å; A545-F568 HydrophobicContact CB-CD2 3.8Å; A545-F568 HydrophobicContact CB-CE1 3.8Å; A545-F568 HydrophobicContact CB-CE2 3.82Å; A545-F568 HydrophobicContact CB-CG 3.78Å; A545-F568 HydrophobicContact CB-CZ 3.82Å; F568-L615 HydrophobicContact CD1-CD2 3.8Å; F568-L615 HydrophobicContact CE1-CD2 4.39Å | ||
| 569 | T | 97.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | trans | -74 | 141 | -175 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | N543 A567 Y571 N613 | N543-T569 PolarHBondContact ND2-O 3.47Å; A567-T569 PolarHBondContact O-N 3.46Å; A567-T569 PolarHBondContact O-OG1 3.26Å; T569-Y571 HydrophobicContact CG2-CD1 4.21Å; T569-Y571 HydrophobicContact CG2-CD2 4.49Å; T569-Y571 HydrophobicContact CG2-CE1 4.04Å; T569-Y571 HydrophobicContact CG2-CE2 4.32Å; T569-Y571 HydrophobicContact CG2-CG 4.43Å; T569-Y571 WeakPolarHBondContact O-CD2 3.3Å; T569-Y571 PolarHBondContact O-N 3.3Å; T569-N613 PolarHBondContact O-ND2 3.45Å; T569-N613 VanDerWaalsContact O-ND2 3.15Å | ||
| 570 | D | 98.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | trans | -76.9 | 62 | 178.1 | -69 | -39.1 | 0 | 0 | 0 | 111.9 | H572 T573 V574 | D570-H572 PolarHBondContact O-N 2.85Å; D570-H572 VanDerWaalsContact O-N 3.14Å; D570-H572 IonicContact OD1-CE1 3.4Å; D570-H572 PolarHBondContact OD1-CE1 2.86Å; D570-T573 WeakPolarHBondContact O-CB 3.24Å; D570-T573 PolarHBondContact O-N 3.33Å; D570-V574 PolarHBondContact O-N 2.92Å; D570-V574 VanDerWaalsContact O-N 3.16Å | ||
| 571 | Y | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 9% | 0.086 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.9 | -29.9 | -177.3 | -69.7 | -68.8 | 0 | 0 | 0 | 113.8 | D517 L520 V524 T569 V574 A575 | D517-Y571 HydrophobicContact CB-CE2 3.86Å; D517-Y571 PolarHBondContact O-OH 3.44Å; L520-Y571 HydrophobicContact CD2-CD1 3.53Å; L520-Y571 HydrophobicContact CD2-CD2 4.02Å; L520-Y571 HydrophobicContact CD2-CE1 4.08Å; L520-Y571 HydrophobicContact CD2-CG 3.5Å; L520-Y571 VanDerWaalsContact CD2-CG 3.5Å; L520-Y571 HydrophobicContact CG-CD1 4.11Å; L520-Y571 HydrophobicContact CG-CE1 4.31Å; V524-Y571 HydrophobicContact CG2-CD1 4.43Å; T569-Y571 HydrophobicContact CG2-CD1 4.21Å; T569-Y571 HydrophobicContact CG2-CD2 4.49Å; T569-Y571 HydrophobicContact CG2-CE1 4.04Å; T569-Y571 HydrophobicContact CG2-CE2 4.32Å; T569-Y571 HydrophobicContact CG2-CG 4.43Å; T569-Y571 WeakPolarHBondContact O-CD2 3.3Å; T569-Y571 PolarHBondContact O-N 3.3Å; Y571-V574 PolarHBondContact O-N 3.45Å; Y571-A575 WeakPolarHBondContact O-CB 3.46Å; Y571-A575 PolarHBondContact O-N 2.77Å |
| 572 | H | 98.7 | Very high | 97.9 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 173.1 | 62.4 | -71.7 | 0 | 0 | 0 | 111.9 | D570 A575 D576 G582 N613 | D570-H572 PolarHBondContact O-N 2.85Å; D570-H572 VanDerWaalsContact O-N 3.14Å; D570-H572 IonicContact OD1-CE1 3.4Å; D570-H572 PolarHBondContact OD1-CE1 2.86Å; H572-A575 PolarHBondContact O-N 2.97Å; H572-D576 PolarHBondContact O-N 3.45Å; H572-G582 WeakPolarHBondContact O-CA 3.36Å; H572-N613 HydrophobicContact CB-CB 3.96Å; H572-N613 PolarHBondContact ND1-ND2 2.76Å |
| 573 | T | 98.7 | Very high | 98 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 47% | 0.466 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 174.7 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | D570 D576 G577 | D570-T573 WeakPolarHBondContact O-CB 3.24Å; D570-T573 PolarHBondContact O-N 3.33Å; T573-D576 PolarHBondContact O-N 3.28Å; T573-G577 PolarHBondContact O-N 3.45Å |
| 574 | V | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | V524 D570 Y571 G577 Y578 | V524-V574 HydrophobicContact CG1-CG1 4.34Å; V524-V574 HydrophobicContact CG2-CB 4.18Å; V524-V574 HydrophobicContact CG2-CG1 3.59Å; D570-V574 PolarHBondContact O-N 2.92Å; D570-V574 VanDerWaalsContact O-N 3.16Å; Y571-V574 PolarHBondContact O-N 3.45Å; V574-G577 PolarHBondContact O-N 3.29Å; V574-Y578 HydrophobicContact CG1-CD2 3.91Å; V574-Y578 HydrophobicContact CG1-CE2 3.69Å; V574-Y578 WeakPolarHBondContact O-CD2 3.28Å; V574-Y578 PolarHBondContact O-N 3.1Å; V574-Y578 VanDerWaalsContact O-N 3.14Å |
| 575 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y527 Y571 H572 G577 Y578 G579 G580 L611 | Y527-A575 HydrophobicContact CD1-CB 3.78Å; Y527-A575 HydrophobicContact CE1-CB 3.88Å; Y527-A575 HydrophobicContact CG-CB 4.11Å; Y571-A575 WeakPolarHBondContact O-CB 3.46Å; Y571-A575 PolarHBondContact O-N 2.77Å; H572-A575 PolarHBondContact O-N 2.97Å; A575-G577 VanDerWaalsContact C-N 3.29Å; A575-G577 PolarHBondContact O-N 3.37Å; A575-Y578 PolarHBondContact O-N 3.44Å; A575-G579 PolarHBondContact O-N 3.22Å; A575-G580 WeakPolarHBondContact O-CA 3.24Å; A575-G580 PolarHBondContact O-N 3.48Å; A575-L611 HydrophobicContact CB-CB 3.71Å; A575-L611 HydrophobicContact CB-CD1 3.86Å; A575-L611 HydrophobicContact CB-CG 4.35Å |
| 576 | D | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 51 Ų | 51 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 171.9 | -75.7 | -31 | 0 | 0 | 0 | 111 | H572 T573 Y578 G579 K581 G582 | H572-D576 PolarHBondContact O-N 3.45Å; T573-D576 PolarHBondContact O-N 3.28Å; D576-Y578 PolarHBondContact O-N 3.22Å; D576-G579 PolarHBondContact O-N 2.97Å; D576-K581 VanDerWaalsContact OD1-CA 3.29Å; D576-K581 WeakPolarHBondContact OD1-CA 3.42Å; D576-G582 PolarHBondContact OD1-N 2.95Å |
| 577 | G | 98.4 | Very high | 98.1 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.7 | -27.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T573 V574 A575 G579 | T573-G577 PolarHBondContact O-N 3.45Å; V574-G577 PolarHBondContact O-N 3.29Å; A575-G577 VanDerWaalsContact C-N 3.29Å; A575-G577 PolarHBondContact O-N 3.37Å; G577-G579 VanDerWaalsContact C-N 3.35Å |
| 578 | Y | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 56 Ų | 56 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.6 | 174.3 | -75.5 | -58.1 | 0 | 0 | 0 | 113.8 | V524 A525 D528 V574 A575 D576 | V524-Y578 WeakPolarHBondContact O-CD2 3.44Å; A525-Y578 HydrophobicContact CB-CE1 4.48Å; A525-Y578 HydrophobicContact CB-CE2 4.3Å; D528-Y578 VanDerWaalsContact CA-O 3.31Å; D528-Y578 WeakPolarHBondContact CA-O 3.31Å; D528-Y578 HydrophobicContact CB-CD1 3.71Å; D528-Y578 HydrophobicContact CB-CG 4.2Å; V574-Y578 HydrophobicContact CG1-CD2 3.91Å; V574-Y578 HydrophobicContact CG1-CE2 3.69Å; V574-Y578 WeakPolarHBondContact O-CD2 3.28Å; V574-Y578 PolarHBondContact O-N 3.1Å; V574-Y578 VanDerWaalsContact O-N 3.14Å; A575-Y578 PolarHBondContact O-N 3.44Å; D576-Y578 PolarHBondContact O-N 3.22Å |
| 579 | G | 97.4 | Very high | 98 | Very high | 41 Ų | 41 | 53 Ų | 53 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 3.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T531 A575 D576 G577 | T531-G579 PolarHBondContact OG1-O 3.33Å; A575-G579 PolarHBondContact O-N 3.22Å; D576-G579 PolarHBondContact O-N 2.97Å; G577-G579 VanDerWaalsContact C-N 3.35Å |
| 580 | G | 98.1 | Very high | 97.9 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -78.2 | -160.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A575 A609 | A575-G580 WeakPolarHBondContact O-CA 3.24Å; A575-G580 PolarHBondContact O-N 3.48Å; G580-A609 CarbonylContact C-O 3.5Å; G580-A609 WeakPolarHBondContact CA-O 3.32Å |
| 581 | K | 98.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 117.5 | 172.4 | -178.7 | 62.9 | -177.3 | 158.3 | 0 | 112.5 | D576 Y583 D603 K608 A609 T610 L611 | D576-K581 VanDerWaalsContact OD1-CA 3.29Å; D576-K581 WeakPolarHBondContact OD1-CA 3.42Å; K581-Y583 HydrophobicContact CB-CE2 4.46Å; K581-Y583 HydrophobicContact CG-CD2 4.38Å; K581-Y583 HydrophobicContact CG-CE2 3.56Å; K581-D603 WeakPolarHBondContact CG-OD2 2.97Å; K581-K608 HydrophobicContact CB-CB 4.4Å; K581-K608 HydrophobicContact CB-CD 4.28Å; K581-A609 PolarHBondContact N-O 2.88Å; K581-T610 HydrophobicContact CB-CG2 4.23Å; K581-T610 CarbonylContact O-C 3.57Å; K581-T610 VanDerWaalsContact O-CA 3.23Å; K581-T610 WeakPolarHBondContact O-CA 3.43Å; K581-L611 PolarHBondContact O-N 3.45Å |
| 582 | G | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 142.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H572 D576 L611 | H572-G582 WeakPolarHBondContact O-CA 3.36Å; D576-G582 PolarHBondContact OD1-N 2.95Å; G582-L611 CarbonylContact C-O 3.57Å |
| 583 | Y | 98.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 11% | 0.114 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.3 | 169.1 | -65.8 | -81.7 | 0 | 0 | 0 | 109.1 | K581 I596 L599 A600 D603 T610 L611 L612 N613 | K581-Y583 HydrophobicContact CB-CE2 4.46Å; K581-Y583 HydrophobicContact CG-CD2 4.38Å; K581-Y583 HydrophobicContact CG-CE2 3.56Å; Y583-I596 HydrophobicContact CD1-CG2 4.13Å; Y583-I596 HydrophobicContact CG-CG2 4.27Å; Y583-L599 HydrophobicContact CE1-CD2 3.69Å; Y583-L599 HydrophobicContact CE1-CG 4.07Å; Y583-L599 WeakPolarHBondContact OH-CG 3.35Å; Y583-A600 HydrophobicContact CD2-CB 3.98Å; Y583-A600 HydrophobicContact CE2-CB 3.85Å; Y583-D603 PolarHBondContact OH-OD2 3.29Å; Y583-T610 HydrophobicContact CE2-CG2 4.44Å; Y583-L611 PolarHBondContact N-O 3.49Å; Y583-L612 CarbonylContact O-C 3.43Å; Y583-N613 PolarHBondContact O-N 2.93Å |
| 584 | L | 98.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.2 | 169.7 | 179.5 | 59.6 | 0 | 0 | 0 | 108.9 | R586 N613 L615 | L584-R586 HydrophobicContact CG-CG 4.19Å; L584-N613 HydrophobicContact CD1-CB 4.28Å; L584-N613 WeakPolarHBondContact CD1-O 3.32Å; L584-L615 HydrophobicContact CD1-CD1 4.48Å; L584-L615 HydrophobicContact CD1-CD2 4.29Å; L584-L615 HydrophobicContact CD1-CG 4.15Å |
| 585 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.4 | 180 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | L441 D589 L593 I596 L612 N613 V614 L615 | L441-V585 HydrophobicContact CD1-CG1 3.76Å; V585-D589 HydrophobicContact CG1-CB 4.11Å; V585-L593 HydrophobicContact CG1-CD1 3.85Å; V585-I596 HydrophobicContact CG1-CD1 4.49Å; V585-I596 HydrophobicContact CG2-CD1 4.45Å; V585-I596 HydrophobicContact CG2-CG2 4.02Å; V585-L612 HydrophobicContact CG2-CD2 4.41Å; V585-N613 PolarHBondContact N-O 3.38Å; V585-V614 HydrophobicContact CB-CB 4.43Å; V585-V614 HydrophobicContact CB-CG1 4.26Å; V585-V614 HydrophobicContact CB-CG2 4.15Å; V585-V614 HydrophobicContact CG1-CG1 4.4Å; V585-V614 HydrophobicContact CG2-CG2 4.24Å; V585-L615 PolarHBondContact O-N 3.4Å |
| 586 | R | 97.8 | Very high | 97.6 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | trans | -115.4 | 179.5 | -178.8 | -53.8 | -174.2 | 178 | 101.3 | -9.1 | 111 | L441 L584 E588 D589 L615 | L441-R586 WeakPolarHBondContact CD1-O 3.48Å; L584-R586 HydrophobicContact CG-CG 4.19Å; R586-E588 WeakPolarHBondContact CB-OE2 3.39Å; R586-E588 PolarHBondContact O-N 3.5Å; R586-D589 PolarHBondContact N-OD2 2.75Å; R586-D589 PolarHBondContact O-N 2.83Å; R586-L615 HydrophobicContact CG-CD1 4.13Å | ||
| 587 | R | 95.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -61 | -35.4 | 178 | 177.5 | 177.7 | -75.6 | -173.5 | -11.2 | 111.8 | T437 E438 H439 H440 D589 E590 | T437-R587 PolarHBondContact O-NH2 3.39Å; T437-R587 PolarHBondContact OG1-NH2 3.44Å; T437-R587 VanDerWaalsContact OG1-NH2 3.12Å; E438-R587 PolarHBondContact O-NH1 2.88Å; E438-R587 PolarHBondContact O-NH2 2.99Å; E438-R587 VanDerWaalsContact O-NH2 3.16Å; H439-R587 PolarHBondContact O-NH2 3.34Å; H440-R587 VanDerWaalsContact O-CZ 3.28Å; H440-R587 PolarHBondContact O-NE 3.41Å; H440-R587 PolarHBondContact O-NH2 2.79Å; R587-D589 PolarHBondContact O-N 2.84Å; R587-E590 WeakPolarHBondContact O-CB 3.29Å; R587-E590 PolarHBondContact O-N 3.26Å |
| 588 | E | 96.3 | Very high | 97.7 | Very high | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -66.4 | -24.7 | -178.7 | -55.1 | 71.8 | -139.6 | 0 | 0 | 111.7 | R586 E590 | R586-E588 WeakPolarHBondContact CB-OE2 3.39Å; R586-E588 PolarHBondContact O-N 3.5Å; E588-E590 VanDerWaalsContact C-N 3.31Å; E588-E590 PolarHBondContact O-N 3.38Å |
| 589 | D | 96.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -86 | 2.1 | -179.2 | -51.5 | -52.2 | 0 | 0 | 0 | 112.9 | V585 R586 R587 N591 Q592 L593 I596 | V585-D589 HydrophobicContact CG1-CB 4.11Å; R586-D589 PolarHBondContact N-OD2 2.75Å; R586-D589 PolarHBondContact O-N 2.83Å; R587-D589 PolarHBondContact O-N 2.84Å; D589-N591 PolarHBondContact O-N 2.95Å; D589-N591 VanDerWaalsContact O-N 3.12Å; D589-Q592 CarbonylContact O-C 3.59Å; D589-Q592 WeakPolarHBondContact O-CA 3.26Å; D589-Q592 PolarHBondContact O-N 3.49Å; D589-L593 PolarHBondContact O-N 2.94Å; D589-I596 HydrophobicContact CB-CD1 3.87Å |
| 590 | E | 94.9 | Very high | 97.7 | Very high | 66 Ų | 66 | 57 Ų | 57 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -53.5 | -39.3 | -173.7 | -170.8 | 176.1 | 135.8 | 0 | 0 | 112.9 | L441 K445 R587 E588 Q592 L593 | L441-E590 HydrophobicContact CD2-CB 3.65Å; L441-E590 HydrophobicContact CD2-CG 3.79Å; K445-E590 HydrophobicContact CD-CG 4.34Å; K445-E590 WeakPolarHBondContact CE-OE1 3.38Å; K445-E590 IonicContact NZ-OE1 2.65Å; K445-E590 PolarHBondContact NZ-OE1 3.18Å; R587-E590 WeakPolarHBondContact O-CB 3.29Å; R587-E590 PolarHBondContact O-N 3.26Å; E588-E590 VanDerWaalsContact C-N 3.31Å; E588-E590 PolarHBondContact O-N 3.38Å; E590-Q592 VanDerWaalsContact C-N 3.3Å; E590-Q592 PolarHBondContact O-N 2.94Å; E590-L593 WeakPolarHBondContact O-CB 3.27Å |
| 591 | N | 95.6 | Very high | 97.7 | Very high | 155 Ų | 155 | 57.4 Ų | 57.4 | 83% | 0.829 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -74.8 | -18.9 | 179 | -66.7 | -33.7 | 0 | 0 | 0 | 113.4 | D589 | D589-N591 PolarHBondContact O-N 2.95Å; D589-N591 VanDerWaalsContact O-N 3.12Å |
| 592 | Q | 96.9 | Very high | 97.7 | Very high | 116 Ų | 116 | 61.4 Ų | 61.4 | 54% | 0.542 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -106 | 2.1 | -179.6 | -64.1 | -177.6 | -11.7 | 0 | 0 | 112.4 | D589 E590 S594 D595 I596 | D589-Q592 CarbonylContact O-C 3.59Å; D589-Q592 WeakPolarHBondContact O-CA 3.26Å; D589-Q592 PolarHBondContact O-N 3.49Å; E590-Q592 VanDerWaalsContact C-N 3.3Å; E590-Q592 PolarHBondContact O-N 2.94Å; Q592-S594 VanDerWaalsContact C-N 3.28Å; Q592-S594 PolarHBondContact O-N 2.88Å; Q592-D595 PolarHBondContact O-N 3.45Å; Q592-I596 HydrophobicContact CB-CD1 4.47Å; Q592-I596 PolarHBondContact O-N 3.37Å |
| 593 | L | 97.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52 | -44.8 | -175.5 | 178.2 | 63.3 | 0 | 0 | 0 | 112.6 | V446 C449 V585 D589 E590 D595 I596 I597 | V446-L593 HydrophobicContact CG2-CD2 4.28Å; C449-L593 HydrophobicContact CB-CD2 3.83Å; C449-L593 HydrophobicContact CB-CG 4.4Å; V585-L593 HydrophobicContact CG1-CD1 3.85Å; D589-L593 PolarHBondContact O-N 2.94Å; E590-L593 WeakPolarHBondContact O-CB 3.27Å; L593-D595 VanDerWaalsContact C-N 3.3Å; L593-D595 PolarHBondContact O-N 3.09Å; L593-I596 PolarHBondContact O-N 3.18Å; L593-I597 HydrophobicContact CD1-CD1 3.96Å; L593-I597 HydrophobicContact CD1-CG1 4.32Å; L593-I597 HydrophobicContact CG-CD1 3.89Å; L593-I597 VanDerWaalsContact O-CG1 3.25Å; L593-I597 WeakPolarHBondContact O-CG1 3.31Å; L593-I597 PolarHBondContact O-N 3.23Å |
| 594 | S | 98.2 | Very high | 97.7 | Very high | 37 Ų | 37 | 61 Ų | 61 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | Q592 I597 K598 | Q592-S594 VanDerWaalsContact C-N 3.28Å; Q592-S594 PolarHBondContact O-N 2.88Å; S594-I597 PolarHBondContact O-N 3.49Å; S594-K598 VanDerWaalsContact O-CG 3.27Å; S594-K598 WeakPolarHBondContact O-CG 3.47Å; S594-K598 PolarHBondContact O-N 3.48Å; S594-K598 WeakPolarHBondContact OG-CE 3.17Å; S594-K598 PolarHBondContact OG-NZ 2.88Å |
| 595 | D | 98.4 | Very high | 97.6 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | -178.3 | -63.4 | -30.6 | 0 | 0 | 0 | 111.3 | Q592 L593 K598 L599 | Q592-D595 PolarHBondContact O-N 3.45Å; L593-D595 VanDerWaalsContact C-N 3.3Å; L593-D595 PolarHBondContact O-N 3.09Å; D595-K598 PolarHBondContact O-N 3.35Å; D595-L599 WeakPolarHBondContact O-CB 2.99Å; D595-L599 PolarHBondContact O-N 3.38Å |
| 596 | I | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 173.8 | -61.9 | 168.8 | 0 | 0 | 0 | 110.5 | Y583 V585 D589 Q592 L593 L599 A600 L612 | Y583-I596 HydrophobicContact CD1-CG2 4.13Å; Y583-I596 HydrophobicContact CG-CG2 4.27Å; V585-I596 HydrophobicContact CG1-CD1 4.49Å; V585-I596 HydrophobicContact CG2-CD1 4.45Å; V585-I596 HydrophobicContact CG2-CG2 4.02Å; D589-I596 HydrophobicContact CB-CD1 3.87Å; Q592-I596 HydrophobicContact CB-CD1 4.47Å; Q592-I596 PolarHBondContact O-N 3.37Å; L593-I596 PolarHBondContact O-N 3.18Å; I596-L599 PolarHBondContact O-N 2.89Å; I596-A600 PolarHBondContact O-N 2.84Å; I596-L612 HydrophobicContact CG2-CD2 4.02Å |
| 597 | I | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.9 | -69.2 | 167.4 | 0 | 0 | 0 | 111 | C449 V450 L453 W512 L593 S594 L599 A600 Q601 L612 | C449-I597 HydrophobicContact CB-CD1 4.3Å; V450-I597 HydrophobicContact CG2-CD1 3.85Å; L453-I597 HydrophobicContact CB-CG2 4.25Å; L453-I597 HydrophobicContact CD1-CB 3.81Å; L453-I597 HydrophobicContact CD1-CD1 4.03Å; L453-I597 HydrophobicContact CD1-CG2 3.61Å; W512-I597 HydrophobicContact CH2-CG2 3.78Å; L593-I597 HydrophobicContact CD1-CD1 3.96Å; L593-I597 HydrophobicContact CD1-CG1 4.32Å; L593-I597 HydrophobicContact CG-CD1 3.89Å; L593-I597 VanDerWaalsContact O-CG1 3.25Å; L593-I597 WeakPolarHBondContact O-CG1 3.31Å; L593-I597 PolarHBondContact O-N 3.23Å; S594-I597 PolarHBondContact O-N 3.49Å; I597-L599 VanDerWaalsContact C-N 3.3Å; I597-L599 PolarHBondContact O-N 3.33Å; I597-A600 PolarHBondContact O-N 3.38Å; I597-Q601 PolarHBondContact O-N 3.38Å; I597-L612 HydrophobicContact CG1-CD2 3.78Å |
| 598 | K | 98.6 | Very high | 97.5 | Very high | 95 Ų | 95 | 69 Ų | 69 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 177.1 | -73.4 | 167.8 | -173.2 | 159.7 | 0 | 112.5 | L453 S594 D595 Q601 R602 | L453-K598 HydrophobicContact CD2-CG 4.44Å; S594-K598 VanDerWaalsContact O-CG 3.27Å; S594-K598 WeakPolarHBondContact O-CG 3.47Å; S594-K598 PolarHBondContact O-N 3.48Å; S594-K598 WeakPolarHBondContact OG-CE 3.17Å; S594-K598 PolarHBondContact OG-NZ 2.88Å; D595-K598 PolarHBondContact O-N 3.35Å; K598-Q601 PolarHBondContact O-N 3.27Å; K598-R602 PolarHBondContact O-N 3.32Å |
| 599 | L | 98.4 | Very high | 97.6 | Very high | 70 Ų | 70 | 62.2 Ų | 62.2 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 175.3 | -177.7 | 61 | 0 | 0 | 0 | 110.9 | Y583 D595 I596 I597 Q601 R602 D603 | Y583-L599 HydrophobicContact CE1-CD2 3.69Å; Y583-L599 HydrophobicContact CE1-CG 4.07Å; Y583-L599 WeakPolarHBondContact OH-CG 3.35Å; D595-L599 WeakPolarHBondContact O-CB 2.99Å; D595-L599 PolarHBondContact O-N 3.38Å; I596-L599 PolarHBondContact O-N 2.89Å; I597-L599 VanDerWaalsContact C-N 3.3Å; I597-L599 PolarHBondContact O-N 3.33Å; L599-Q601 PolarHBondContact O-N 2.92Å; L599-R602 WeakPolarHBondContact O-CB 3.41Å; L599-R602 PolarHBondContact O-N 3.44Å; L599-R602 VanDerWaalsContact O-N 3.14Å; L599-D603 PolarHBondContact O-N 3.47Å |
| 600 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y583 I596 I597 R602 D603 A604 T610 L612 | Y583-A600 HydrophobicContact CD2-CB 3.98Å; Y583-A600 HydrophobicContact CE2-CB 3.85Å; I596-A600 PolarHBondContact O-N 2.84Å; I597-A600 PolarHBondContact O-N 3.38Å; A600-R602 VanDerWaalsContact C-N 3.31Å; A600-R602 PolarHBondContact O-N 3.01Å; A600-D603 PolarHBondContact O-N 3.19Å; A600-A604 WeakPolarHBondContact O-CB 3.25Å; A600-A604 PolarHBondContact O-N 3.42Å; A600-T610 HydrophobicContact CB-CG2 4.42Å; A600-T610 VanDerWaalsContact O-CG2 3.3Å; A600-T610 WeakPolarHBondContact O-CG2 3.46Å; A600-L612 HydrophobicContact CB-CD1 3.67Å; A600-L612 HydrophobicContact CB-CD2 4.47Å; A600-L612 HydrophobicContact CB-CG 4.22Å |
| 601 | Q | 98.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 172.7 | -78.6 | 176 | -57.5 | 0 | 0 | 112.4 | L453 E510 W512 I538 I597 K598 L599 A604 K605 | L453-Q601 PolarHBondContact O-NE2 2.82Å; L453-Q601 VanDerWaalsContact O-NE2 3.12Å; E510-Q601 PolarHBondContact OE1-NE2 3.12Å; E510-Q601 PolarHBondContact OE2-NE2 3.27Å; W512-Q601 HydrophobicContact CH2-CG 3.98Å; W512-Q601 HydrophobicContact CZ2-CG 3.61Å; I538-Q601 HydrophobicContact CD1-CB 4.33Å; I538-Q601 HydrophobicContact CD1-CG 3.72Å; I597-Q601 PolarHBondContact O-N 3.38Å; K598-Q601 PolarHBondContact O-N 3.27Å; L599-Q601 PolarHBondContact O-N 2.92Å; Q601-A604 PolarHBondContact O-N 3.41Å; Q601-K605 WeakPolarHBondContact O-CG 3.29Å; Q601-K605 PolarHBondContact O-N 2.88Å |
| 602 | R | 98.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 50.1 Ų | 50.1 | 57% | 0.566 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.9 | -49.7 | 177.3 | -175.1 | -174.8 | -60.1 | 168 | 2.5 | 111.2 | K598 L599 A600 A604 K605 E606 | K598-R602 PolarHBondContact O-N 3.32Å; L599-R602 WeakPolarHBondContact O-CB 3.41Å; L599-R602 PolarHBondContact O-N 3.44Å; L599-R602 VanDerWaalsContact O-N 3.14Å; A600-R602 VanDerWaalsContact C-N 3.31Å; A600-R602 PolarHBondContact O-N 3.01Å; R602-A604 PolarHBondContact O-N 3.33Å; R602-K605 WeakPolarHBondContact O-CA 3.27Å; R602-K605 WeakPolarHBondContact O-CB 3.49Å; R602-K605 PolarHBondContact O-N 2.86Å; R602-E606 WeakPolarHBondContact O-CG 3.46Å; R602-E606 PolarHBondContact O-N 2.85Å |
| 603 | D | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -35.9 | 178 | -82.3 | 2.1 | 0 | 0 | 0 | 112.2 | K581 Y583 L599 A600 E606 G607 K608 T610 | K581-D603 WeakPolarHBondContact CG-OD2 2.97Å; Y583-D603 PolarHBondContact OH-OD2 3.29Å; L599-D603 PolarHBondContact O-N 3.47Å; A600-D603 PolarHBondContact O-N 3.19Å; D603-E606 CarbonylContact O-C 3.41Å; D603-E606 PolarHBondContact O-N 2.88Å; D603-G607 PolarHBondContact O-N 3.48Å; D603-K608 PolarHBondContact O-N 3.38Å; D603-T610 HydrophobicContact CB-CG2 3.7Å |
| 604 | A | 98.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P536 I538 A600 Q601 R602 E606 G607 K608 T610 | P536-A604 WeakPolarHBondContact CB-O 3.34Å; P536-A604 WeakPolarHBondContact CG-O 3.32Å; I538-A604 HydrophobicContact CD1-CB 4Å; I538-A604 HydrophobicContact CG1-CB 3.49Å; I538-A604 VanDerWaalsContact CG1-CB 3.49Å; A600-A604 WeakPolarHBondContact O-CB 3.25Å; A600-A604 PolarHBondContact O-N 3.42Å; Q601-A604 PolarHBondContact O-N 3.41Å; R602-A604 PolarHBondContact O-N 3.33Å; A604-E606 PolarHBondContact O-N 3.47Å; A604-G607 PolarHBondContact O-N 2.85Å; A604-K608 WeakPolarHBondContact CA-O 3.3Å; A604-T610 HydrophobicContact CB-CG2 4.26Å |
| 605 | K | 96.8 | Very high | 98.3 | Very high | 151 Ų | 151 | 43.5 Ų | 43.5 | 66% | 0.657 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.8 | -29.5 | 172.9 | -72 | 170.1 | -175.6 | 171.5 | 0 | 112.3 | E510 Q601 R602 G607 | E510-K605 WeakPolarHBondContact OE1-CE 3.26Å; E510-K605 IonicContact OE1-NZ 3.04Å; E510-K605 PolarHBondContact OE1-NZ 3.32Å; E510-K605 VanDerWaalsContact OE1-NZ 3.11Å; Q601-K605 WeakPolarHBondContact O-CG 3.29Å; Q601-K605 PolarHBondContact O-N 2.88Å; R602-K605 WeakPolarHBondContact O-CA 3.27Å; R602-K605 WeakPolarHBondContact O-CB 3.49Å; R602-K605 PolarHBondContact O-N 2.86Å; K605-G607 PolarHBondContact O-N 3.44Å |
| 606 | E | 96.8 | Very high | 98.3 | Very high | 127 Ų | 127 | 39.2 Ų | 39.2 | 59% | 0.593 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.4 | 172.7 | -67.4 | 176.8 | -168.6 | 0 | 0 | 113.6 | R602 D603 A604 | R602-E606 WeakPolarHBondContact O-CG 3.46Å; R602-E606 PolarHBondContact O-N 2.85Å; D603-E606 CarbonylContact O-C 3.41Å; D603-E606 PolarHBondContact O-N 2.88Å; A604-E606 PolarHBondContact O-N 3.47Å |
| 607 | G | 96.5 | Very high | 98.1 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 40% | 0.402 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | 6.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D603 A604 K605 | D603-G607 PolarHBondContact O-N 3.48Å; A604-G607 PolarHBondContact O-N 2.85Å; K605-G607 PolarHBondContact O-N 3.44Å |
| 608 | K | 97.8 | Very high | 97.8 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | trans | -94.2 | 134 | 178.6 | -60.7 | 178.6 | -173.6 | 163.5 | 0 | 111.6 | K581 D603 A604 T610 | K581-K608 HydrophobicContact CB-CB 4.4Å; K581-K608 HydrophobicContact CB-CD 4.28Å; D603-K608 PolarHBondContact O-N 3.38Å; A604-K608 WeakPolarHBondContact CA-O 3.3Å; K608-T610 PolarHBondContact O-N 2.87Å | ||
| 609 | A | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | trans | -72.3 | 122.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y527 F530 V537 G580 K581 | Y527-A609 HydrophobicContact CD1-CB 3.9Å; Y527-A609 HydrophobicContact CE1-CB 4.01Å; F530-A609 HydrophobicContact CB-CB 3.69Å; F530-A609 HydrophobicContact CD2-CB 3.91Å; F530-A609 HydrophobicContact CG-CB 4.2Å; V537-A609 HydrophobicContact CG2-CB 4.02Å; V537-A609 CarbonylContact O-C 3.53Å; V537-A609 WeakPolarHBondContact O-CA 3.21Å; G580-A609 CarbonylContact C-O 3.5Å; G580-A609 WeakPolarHBondContact CA-O 3.32Å; K581-A609 PolarHBondContact N-O 2.88Å | ||
| 610 | T | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.6 | -173.3 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | Y527 V537 S539 K581 Y583 A600 D603 A604 K608 | Y527-T610 PolarHBondContact OH-O 2.67Å; V537-T610 PolarHBondContact O-N 3.26Å; S539-T610 PolarHBondContact N-O 2.88Å; K581-T610 HydrophobicContact CB-CG2 4.23Å; K581-T610 CarbonylContact O-C 3.57Å; K581-T610 VanDerWaalsContact O-CA 3.23Å; K581-T610 WeakPolarHBondContact O-CA 3.43Å; Y583-T610 HydrophobicContact CE2-CG2 4.44Å; A600-T610 HydrophobicContact CB-CG2 4.42Å; A600-T610 VanDerWaalsContact O-CG2 3.3Å; A600-T610 WeakPolarHBondContact O-CG2 3.46Å; D603-T610 HydrophobicContact CB-CG2 3.7Å; A604-T610 HydrophobicContact CB-CG2 4.26Å; K608-T610 PolarHBondContact O-N 2.87Å |
| 611 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.6 | 177.5 | -164.9 | 153.6 | 0 | 0 | 0 | 110.7 | L520 Y527 V541 A575 K581 G582 Y583 N613 | L520-L611 HydrophobicContact CD1-CD1 4.26Å; L520-L611 HydrophobicContact CD2-CD1 3.86Å; Y527-L611 HydrophobicContact CE1-CB 3.89Å; Y527-L611 HydrophobicContact CE1-CD1 4.45Å; Y527-L611 HydrophobicContact CE2-CD1 3.73Å; Y527-L611 VanDerWaalsContact OH-CB 3.22Å; Y527-L611 WeakPolarHBondContact OH-CB 3.3Å; Y527-L611 WeakPolarHBondContact OH-CD1 3.39Å; Y527-L611 WeakPolarHBondContact OH-CG 3.26Å; V541-L611 HydrophobicContact CG1-CD2 3.86Å; A575-L611 HydrophobicContact CB-CB 3.71Å; A575-L611 HydrophobicContact CB-CD1 3.86Å; A575-L611 HydrophobicContact CB-CG 4.35Å; K581-L611 PolarHBondContact O-N 3.45Å; G582-L611 CarbonylContact C-O 3.57Å; Y583-L611 PolarHBondContact N-O 3.49Å; L611-N613 HydrophobicContact CD2-CB 3.82Å |
| 612 | L | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 105.6 | 166.6 | -62.8 | 96 | 0 | 0 | 0 | 109.7 | I538 S539 V540 V541 Y583 V585 I596 I597 A600 V614 | I538-L612 HydrophobicContact CG2-CD1 3.97Å; S539-L612 WeakPolarHBondContact O-CD1 3.43Å; S539-L612 PolarHBondContact O-N 3.48Å; V540-L612 HydrophobicContact CG2-CB 4.45Å; V540-L612 HydrophobicContact CG2-CD1 4.17Å; V541-L612 WeakPolarHBondContact CG1-O 3.3Å; V541-L612 PolarHBondContact N-O 2.94Å; Y583-L612 CarbonylContact O-C 3.43Å; V585-L612 HydrophobicContact CG2-CD2 4.41Å; I596-L612 HydrophobicContact CG2-CD2 4.02Å; I597-L612 HydrophobicContact CG1-CD2 3.78Å; A600-L612 HydrophobicContact CB-CD1 3.67Å; A600-L612 HydrophobicContact CB-CD2 4.47Å; A600-L612 HydrophobicContact CB-CG 4.22Å; L612-V614 HydrophobicContact CB-CG2 4.14Å; L612-V614 PolarHBondContact O-N 2.97Å |
| 613 | N | 98.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 93.8 | 173.7 | -169.7 | 25.6 | 0 | 0 | 0 | 108.9 | V541 N543 T569 H572 Y583 L584 V585 L611 | V541-N613 HydrophobicContact CG1-CB 4.15Å; V541-N613 WeakPolarHBondContact CG1-OD1 3.47Å; N543-N613 WeakPolarHBondContact CB-OD1 3.45Å; N543-N613 PolarHBondContact ND2-OD1 3.41Å; T569-N613 PolarHBondContact O-ND2 3.45Å; T569-N613 VanDerWaalsContact O-ND2 3.15Å; H572-N613 HydrophobicContact CB-CB 3.96Å; H572-N613 PolarHBondContact ND1-ND2 2.76Å; Y583-N613 PolarHBondContact O-N 2.93Å; L584-N613 HydrophobicContact CD1-CB 4.28Å; L584-N613 WeakPolarHBondContact CD1-O 3.32Å; V585-N613 PolarHBondContact N-O 3.38Å; L611-N613 HydrophobicContact CD2-CB 3.82Å |
| 614 | V | 98.8 | Very high | 94 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.3 | -174.2 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | L441 V446 V540 V541 N543 V585 L612 I616 | L441-V614 HydrophobicContact CD1-CG1 3.68Å; V446-V614 HydrophobicContact CG1-CG1 4.1Å; V446-V614 HydrophobicContact CG1-CG2 4.27Å; V446-V614 HydrophobicContact CG2-CG1 3.74Å; V540-V614 HydrophobicContact CG1-CG2 3.93Å; V541-V614 PolarHBondContact O-N 2.97Å; N543-V614 PolarHBondContact N-O 2.83Å; V585-V614 HydrophobicContact CB-CB 4.43Å; V585-V614 HydrophobicContact CB-CG1 4.26Å; V585-V614 HydrophobicContact CB-CG2 4.15Å; V585-V614 HydrophobicContact CG1-CG1 4.4Å; V585-V614 HydrophobicContact CG2-CG2 4.24Å; L612-V614 HydrophobicContact CB-CG2 4.14Å; L612-V614 PolarHBondContact O-N 2.97Å; V614-I616 HydrophobicContact CB-CG2 4.38Å; V614-I616 HydrophobicContact CG1-CG2 3.88Å; V614-I616 PolarHBondContact O-N 3.45Å |
| 615 | L | 98.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120.5 | 171.6 | -54.2 | -173.5 | 0 | 0 | 0 | 108.3 | H440 L441 N543 F568 L584 V585 R586 | H440-L615 HydrophobicContact CB-CB 4.02Å; H440-L615 WeakPolarHBondContact CB-O 3.24Å; L441-L615 WeakPolarHBondContact CB-O 3.34Å; L441-L615 PolarHBondContact N-O 3.35Å; L441-L615 VanDerWaalsContact N-O 3.15Å; N543-L615 HydrophobicContact CB-CD2 4.22Å; N543-L615 WeakPolarHBondContact O-CA 3.26Å; F568-L615 HydrophobicContact CD1-CD2 3.8Å; F568-L615 HydrophobicContact CE1-CD2 4.39Å; L584-L615 HydrophobicContact CD1-CD1 4.48Å; L584-L615 HydrophobicContact CD1-CD2 4.29Å; L584-L615 HydrophobicContact CD1-CG 4.15Å; V585-L615 PolarHBondContact O-N 3.4Å; R586-L615 HydrophobicContact CG-CD1 4.13Å |
| 616 | I | 98.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -121.8 | 147.6 | -176.2 | 55 | 160.2 | 0 | 0 | 0 | 111.9 | L441 P443 F467 N543 D544 V614 | L441-I616 CarbonylContact O-C 3.39Å; L441-I616 WeakPolarHBondContact O-CA 3.48Å; P443-I616 HydrophobicContact CB-CB 4.18Å; P443-I616 HydrophobicContact CB-CD1 4.07Å; P443-I616 HydrophobicContact CB-CG2 4.15Å; F467-I616 HydrophobicContact CB-CD1 4.19Å; F467-I616 HydrophobicContact CD2-CD1 3.6Å; F467-I616 HydrophobicContact CE2-CD1 4.22Å; F467-I616 HydrophobicContact CE2-CG2 4.49Å; F467-I616 HydrophobicContact CG-CD1 4.04Å; N543-I616 PolarHBondContact O-N 2.93Å; D544-I616 HydrophobicContact CB-CD1 4.21Å; D544-I616 HydrophobicContact CB-CG1 3.95Å; V614-I616 HydrophobicContact CB-CG2 4.38Å; V614-I616 HydrophobicContact CG1-CG2 3.88Å; V614-I616 PolarHBondContact O-N 3.45Å |
| 617 | G | 96 | Very high | 88.8 | Confident | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -94.6 | 169.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H439 L441 P443 | H439-G617 WeakPolarHBondContact O-CA 3.43Å; L441-G617 PolarHBondContact O-N 2.94Å; P443-G617 WeakPolarHBondContact CD-O 3.45Å | ||
| 618 | K | 92 | Very high | 86.2 | Confident | 155 Ų | 155 | 48.9 Ų | 48.9 | 67% | 0.674 | 27% | 0.271 | S | S | * | . | trans | -74 | 143.4 | 174.3 | -63.9 | -179.1 | -179 | 178.3 | 0 | 111.2 | T437 | T437-K618 WeakPolarHBondContact CG2-O 3.19Š| ||
| 619 | T | 91.8 | Very high | 85.6 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | trans | -134.2 | 160.7 | 172.5 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | T437 P443 R552 F621 | T437-T619 HydrophobicContact CG2-CG2 4.04Å; P443-T619 HydrophobicContact CG-CG2 3.62Å; R552-T619 VanDerWaalsContact CZ-O 3.29Å; R552-T619 PolarHBondContact NH1-O 2.87Å; R552-T619 PolarHBondContact NH2-O 3.45Å; T619-F621 VanDerWaalsContact C-N 3.29Å; T619-F621 PolarHBondContact OG1-N 2.86Å | ||
| 620 | N | 88.6 | Confident | 84.9 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -86.7 | 5.5 | 171.5 | 70.2 | 15.9 | 0 | 0 | 0 | 113.3 | K432 R622 E623 | K432-N620 PolarHBondContact NZ-OD1 3.02Å; N620-R622 PolarHBondContact O-N 2.76Å; N620-E623 HydrophobicContact CB-CB 4.41Å; N620-E623 WeakPolarHBondContact CB-OE2 3.17Å; N620-E623 VanDerWaalsContact O-CB 3.31Å; N620-E623 WeakPolarHBondContact O-CB 3.38Å; N620-E623 PolarHBondContact O-N 3.48Å; N620-E623 VanDerWaalsContact O-N 3.1Å |
| 621 | F | 89.3 | Confident | 84.2 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 11% | 0.114 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -38.3 | -171.7 | -178.8 | -114.5 | 0 | 0 | 0 | 113.2 | N429 K432 L444 Y473 T619 | N429-F621 HydrophobicContact CB-CE2 3.85Å; N429-F621 HydrophobicContact CB-CZ 4.34Å; K432-F621 HydrophobicContact CD-CD2 3.75Å; K432-F621 HydrophobicContact CD-CE2 4.48Å; L444-F621 HydrophobicContact CD1-CB 3.92Å; L444-F621 HydrophobicContact CD1-CD1 4.32Å; L444-F621 HydrophobicContact CD1-CD2 3.7Å; L444-F621 HydrophobicContact CD1-CE2 4.32Å; L444-F621 HydrophobicContact CD1-CG 3.72Å; L444-F621 HydrophobicContact CD2-CB 4.08Å; L444-F621 HydrophobicContact CD2-CD1 3.44Å; L444-F621 VanDerWaalsContact CD2-CD1 3.44Å; L444-F621 HydrophobicContact CD2-CD2 4.32Å; L444-F621 HydrophobicContact CD2-CE1 3.93Å; L444-F621 HydrophobicContact CD2-CG 3.68Å; L444-F621 HydrophobicContact CG-CB 4.44Å; L444-F621 HydrophobicContact CG-CG 4.3Å; Y473-F621 HydrophobicContact CG-CE1 4.34Å; Y473-F621 HydrophobicContact CG-CZ 4.35Å; T619-F621 VanDerWaalsContact C-N 3.29Å; T619-F621 PolarHBondContact OG1-N 2.86Å |
| 622 | R | 88.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 7.9 | -178 | -69.7 | -75.5 | -65.3 | 158.5 | 4.1 | 113.3 | D466 S470 Y473 N620 G624 S625 | D466-R622 VanDerWaalsContact OD1-CB 3.26Å; D466-R622 WeakPolarHBondContact OD1-CB 3.37Å; D466-R622 IonicContact OD1-NE 3.2Å; S470-R622 WeakPolarHBondContact OG-CG 3.35Å; Y473-R622 VanDerWaalsContact CE2-NH1 3.32Å; N620-R622 PolarHBondContact O-N 2.76Å; R622-G624 PolarHBondContact O-N 2.87Å; R622-S625 VanDerWaalsContact CZ-OG 3.29Å; R622-S625 PolarHBondContact NH1-OG 3.23Å; R622-S625 WeakPolarHBondContact O-CB 3.25Å; R622-S625 PolarHBondContact O-N 3.17Å; R622-S625 PolarHBondContact O-OG 3.05Å |
| 623 | E | 82.6 | Confident | 82.3 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 136.3 | -179.8 | -167.8 | 171.1 | -166.9 | 0 | 0 | 111.4 | N620 S625 | N620-E623 HydrophobicContact CB-CB 4.41Å; N620-E623 WeakPolarHBondContact CB-OE2 3.17Å; N620-E623 VanDerWaalsContact O-CB 3.31Å; N620-E623 WeakPolarHBondContact O-CB 3.38Å; N620-E623 PolarHBondContact O-N 3.48Å; N620-E623 VanDerWaalsContact O-N 3.1Å; E623-S625 VanDerWaalsContact C-N 3.27Å; E623-S625 PolarHBondContact O-N 2.97Å |
| 624 | G | 69.6 | Low | 81.2 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 77% | 0.773 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R622 I626 | R622-G624 PolarHBondContact O-N 2.87Å; G624-I626 PolarHBondContact O-N 3.49Å |
| 625 | S | 67.6 | Low | 80 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | trans | -74.6 | 118.2 | 169.2 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | R622 E623 | R622-S625 VanDerWaalsContact CZ-OG 3.29Å; R622-S625 PolarHBondContact NH1-OG 3.23Å; R622-S625 WeakPolarHBondContact O-CB 3.25Å; R622-S625 PolarHBondContact O-N 3.17Å; R622-S625 PolarHBondContact O-OG 3.05Å; E623-S625 VanDerWaalsContact C-N 3.27Å; E623-S625 PolarHBondContact O-N 2.97Å | ||
| 626 | I | 57.5 | Low | 78.5 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 67% | 0.672 | 40% | 0.397 | S | S | * | . | trans | -77.1 | 132.1 | -178.9 | -58.5 | 171.4 | 0 | 0 | 0 | 111.1 | E553 G624 V628 | E553-I626 WeakPolarHBondContact OE1-CA 3.41Å; G624-I626 PolarHBondContact O-N 3.49Å; I626-V628 HydrophobicContact CG2-CG2 3.81Å | ||
| 627 | S | 58.7 | Low | 76.9 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 12% | 0.119 | 43% | 0.427 | C | S | . | . | trans | -111.3 | 91.2 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 108.1 | Q549 E553 | Q549-S627 WeakPolarHBondContact CG-OG 3.49Å; Q549-S627 PolarHBondContact O-OG 2.57Å; E553-S627 WeakPolarHBondContact OE2-CA 3.22Å; E553-S627 WeakPolarHBondContact OE2-CB 3.47Å; E553-S627 PolarHBondContact OE2-N 3.04Å; E553-S627 VanDerWaalsContact OE2-O 3.12Å | ||
| 628 | V | 40.9 | Very low | 75.1 | Confident | 183 Ų | 183 | 81.5 Ų | 81.5 | 100% | 1.109 | 46% | 0.458 | S | S | * | . | trans | -77.9 | 0 | 176.3 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | I626 | I626-V628 HydrophobicContact CG2-CG2 3.81Š|
Retrieved 628 of 628 residues in 357.9 ms
(Link to these results)