| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.3 | Very low | 48.7 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 100% | 1 | 65% | 0.652 | S | S | * | * | 0 | -68.4 | 0 | -89.1 | -175.8 | 157.7 | 0 | 0 | 113.8 | I3 S4 F5 | M1-I3 PolarHBondContact O-N 3.03Å; M1-S4 WeakPolarHBondContact O-CA 3.42Å; M1-S4 VanDerWaalsContact O-CB 3.23Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 3.31Å; M1-S4 PolarHBondContact O-OG 2.97Å; M1-F5 PolarHBondContact O-N 3.02Å | |||
| 2 | W | 39.8 | Very low | 49.4 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 79% | 0.788 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -57.3 | -40.9 | -167.8 | -140.8 | 49.5 | 0 | 0 | 0 | 114.7 | F5 K6 | W2-F5 PolarHBondContact O-N 3.18Å; W2-K6 PolarHBondContact O-N 3.12Å; W2-K6 VanDerWaalsContact O-N 3.08Å |
| 3 | I | 52.4 | Low | 50.4 | Low | 140 Ų | 140 | 142.4 Ų | 142.4 | 72% | 0.718 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.3 | -46.6 | 173.5 | -63.1 | 171.7 | 0 | 0 | 0 | 111.1 | M1 F5 K6 F7 | M1-I3 PolarHBondContact O-N 3.03Å; I3-F5 VanDerWaalsContact C-N 3.26Å; I3-F5 PolarHBondContact O-N 3.25Å; I3-K6 PolarHBondContact O-N 3.12Å; I3-F7 PolarHBondContact O-N 3.22Å |
| 4 | S | 50.2 | Low | 51.8 | Low | 72 Ų | 72 | 139.8 Ų | 139.8 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -58.8 | -37.5 | 176.4 | -36.4 | 0 | 0 | 0 | 0 | 112.1 | M1 F7 L8 | M1-S4 WeakPolarHBondContact O-CA 3.42Å; M1-S4 VanDerWaalsContact O-CB 3.23Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 3.31Å; M1-S4 PolarHBondContact O-OG 2.97Å; S4-F7 PolarHBondContact O-N 3.15Å; S4-L8 PolarHBondContact O-N 3.5Å |
| 5 | F | 47.4 | Very low | 53 | Low | 149 Ų | 149 | 136.7 Ų | 136.7 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.3 | -45.3 | 177.7 | -130.2 | -90.6 | 0 | 0 | 0 | 111.9 | M1 W2 I3 F7 L8 Y9 | M1-F5 PolarHBondContact O-N 3.02Å; W2-F5 PolarHBondContact O-N 3.18Å; I3-F5 VanDerWaalsContact C-N 3.26Å; I3-F5 PolarHBondContact O-N 3.25Å; F5-F7 VanDerWaalsContact C-N 3.29Å; F5-F7 PolarHBondContact O-N 3.1Å; F5-L8 PolarHBondContact O-N 2.87Å; F5-Y9 PolarHBondContact O-N 3.14Å |
| 6 | K | 50.8 | Low | 54 | Low | 136 Ų | 136 | 135.1 Ų | 135.1 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.9 | -39 | 171.7 | -75.5 | -169.7 | 175.9 | -176.9 | 0 | 111.8 | W2 I3 Y9 T10 | W2-K6 PolarHBondContact O-N 3.12Å; W2-K6 VanDerWaalsContact O-N 3.08Å; I3-K6 PolarHBondContact O-N 3.12Å; K6-Y9 PolarHBondContact O-N 3.38Å; K6-T10 PolarHBondContact O-N 2.95Å; K6-T10 PolarHBondContact O-OG1 3.24Å |
| 7 | F | 46.2 | Very low | 55.1 | Low | 138 Ų | 138 | 138.2 Ų | 138.2 | 61% | 0.605 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.9 | -29.6 | 179 | -136.7 | -85.1 | 0 | 0 | 0 | 113.8 | I3 S4 F5 T10 K11 | I3-F7 PolarHBondContact O-N 3.22Å; S4-F7 PolarHBondContact O-N 3.15Å; F5-F7 VanDerWaalsContact C-N 3.29Å; F5-F7 PolarHBondContact O-N 3.1Å; F7-T10 PolarHBondContact O-OG1 3.23Å; F7-K11 WeakPolarHBondContact O-CB 3.49Å; F7-K11 PolarHBondContact O-N 2.87Å |
| 8 | L | 50.9 | Low | 56.2 | Low | 118 Ų | 118 | 135.6 Ų | 135.6 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.7 | -45.6 | 168.7 | -108 | 69.6 | 0 | 0 | 0 | 111.2 | S4 F5 T10 K11 Q12 | S4-L8 PolarHBondContact O-N 3.5Å; F5-L8 PolarHBondContact O-N 2.87Å; L8-T10 PolarHBondContact O-N 2.52Å; L8-K11 WeakPolarHBondContact O-CB 3.31Å; L8-K11 PolarHBondContact O-N 2.62Å; L8-Q12 PolarHBondContact O-N 3.01Å |
| 9 | Y | 44.6 | Very low | 57.1 | Low | 149 Ų | 149 | 131.4 Ų | 131.4 | 58% | 0.584 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65 | -37.8 | -176.8 | -138.8 | -101.4 | 0 | 0 | 0 | 112.6 | F5 K6 Q12 R13 | F5-Y9 PolarHBondContact O-N 3.14Å; K6-Y9 PolarHBondContact O-N 3.38Å; Y9-Q12 PolarHBondContact O-N 2.86Å; Y9-R13 PolarHBondContact O-N 2.92Å; Y9-R13 VanDerWaalsContact O-N 3.14Å |
| 10 | T | 55.2 | Low | 58.1 | Low | 84 Ų | 84 | 129.1 Ų | 129.1 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.6 | -41.4 | 171.8 | 52.9 | 0 | 0 | 0 | 0 | 112 | K6 F7 L8 Q12 R13 L14 | K6-T10 PolarHBondContact O-N 2.95Å; K6-T10 PolarHBondContact O-OG1 3.24Å; F7-T10 PolarHBondContact O-OG1 3.23Å; L8-T10 PolarHBondContact O-N 2.52Å; T10-Q12 VanDerWaalsContact C-N 3.31Å; T10-Q12 PolarHBondContact O-N 3.25Å; T10-R13 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-CB 3.29Å; T10-L14 WeakPolarHBondContact O-CB 3.41Å; T10-L14 PolarHBondContact O-N 2.04Å |
| 11 | K | 54.7 | Low | 59 | Low | 136 Ų | 136 | 127.6 Ų | 127.6 | 59% | 0.591 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.1 | -44.8 | 171.5 | -106.7 | -174.7 | 173.4 | -177.7 | 0 | 111.8 | F7 L8 L14 T15 | F7-K11 WeakPolarHBondContact O-CB 3.49Å; F7-K11 PolarHBondContact O-N 2.87Å; L8-K11 WeakPolarHBondContact O-CB 3.31Å; L8-K11 PolarHBondContact O-N 2.62Å; K11-L14 PolarHBondContact O-N 3.48Å; K11-T15 PolarHBondContact O-N 3.28Å; K11-T15 PolarHBondContact O-OG1 2.95Å |
| 12 | Q | 56.3 | Low | 60.5 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.5 | -43.1 | -176.6 | -142.4 | 169.4 | 6.5 | 0 | 0 | 111.8 | L8 Y9 T10 L16 | L8-Q12 PolarHBondContact O-N 3.01Å; Y9-Q12 PolarHBondContact O-N 2.86Å; T10-Q12 VanDerWaalsContact C-N 3.31Å; T10-Q12 PolarHBondContact O-N 3.25Å; Q12-L16 PolarHBondContact O-N 3.14Å; Q12-L16 VanDerWaalsContact O-N 3.11Å |
| 13 | R | 63.2 | Low | 62.1 | Low | 182 Ų | 182 | 119.1 Ų | 119.1 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -41.5 | 171.3 | -78.5 | -169.7 | 171.4 | -161.4 | -2.6 | 112.6 | Y9 T10 L16 Y17 | Y9-R13 PolarHBondContact O-N 2.92Å; Y9-R13 VanDerWaalsContact O-N 3.14Å; T10-R13 PolarHBondContact O-N 3.41Å; R13-L16 PolarHBondContact O-N 3.11Å; R13-Y17 PolarHBondContact O-N 3.02Å |
| 14 | L | 69 | Low | 63.3 | Low | 106 Ų | 106 | 118.6 Ų | 118.6 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.3 | -44.2 | 178.9 | -174.6 | 65.5 | 0 | 0 | 0 | 111.9 | T10 K11 L16 Y17 I18 | T10-L14 VanDerWaalsContact O-CB 3.29Å; T10-L14 WeakPolarHBondContact O-CB 3.41Å; T10-L14 PolarHBondContact O-N 2.04Å; K11-L14 PolarHBondContact O-N 3.48Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.28Å; L14-Y17 PolarHBondContact O-N 2.89Å; L14-I18 HydrophobicContact CD1-CD1 4.36Å; L14-I18 HydrophobicContact CG-CD1 3.99Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 3.46Å |
| 15 | T | 70.1 | Confident | 64.6 | Low | 93 Ų | 93 | 120 Ų | 120 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.6 | -38.1 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | K11 I18 S19 | K11-T15 PolarHBondContact O-N 3.28Å; K11-T15 PolarHBondContact O-OG1 2.95Å; T15-I18 PolarHBondContact O-N 3.33Å; T15-S19 WeakPolarHBondContact O-CB 3.45Å; T15-S19 PolarHBondContact O-N 3.38Å |
| 16 | L | 69.8 | Low | 65.7 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 174.7 | -161.4 | 75 | 0 | 0 | 0 | 111.7 | Q12 R13 L14 S19 N20 | Q12-L16 PolarHBondContact O-N 3.14Å; Q12-L16 VanDerWaalsContact O-N 3.11Å; R13-L16 PolarHBondContact O-N 3.11Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.28Å; L16-S19 PolarHBondContact O-N 3.5Å; L16-N20 WeakPolarHBondContact O-CB 3.43Å; L16-N20 PolarHBondContact O-N 3.27Å |
| 17 | Y | 71.4 | Confident | 66.8 | Low | 189 Ų | 189 | 115 Ų | 115 | 74% | 0.741 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -43.8 | 175.9 | -131.2 | -89.1 | 0 | 0 | 0 | 112 | R13 L14 N20 L21 | R13-Y17 PolarHBondContact O-N 3.02Å; L14-Y17 PolarHBondContact O-N 2.89Å; Y17-N20 PolarHBondContact O-N 2.89Å; Y17-L21 VanDerWaalsContact O-CB 3.32Å; Y17-L21 WeakPolarHBondContact O-CB 3.29Å; Y17-L21 PolarHBondContact O-N 3Å |
| 18 | I | 75.8 | Confident | 68 | Low | 91 Ų | 91 | 111.3 Ų | 111.3 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 174.9 | -67.4 | 166.1 | 0 | 0 | 0 | 110.7 | L14 T15 L21 C22 | L14-I18 HydrophobicContact CD1-CD1 4.36Å; L14-I18 HydrophobicContact CG-CD1 3.99Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 3.46Å; T15-I18 PolarHBondContact O-N 3.33Å; I18-L21 PolarHBondContact O-N 3.16Å; I18-C22 WeakPolarHBondContact O-CB 3.14Å; I18-C22 PolarHBondContact O-N 3.1Å; I18-C22 PolarHBondContact O-SG 3.03Å |
| 19 | S | 73.3 | Confident | 68.7 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 112 | T15 L16 C22 R23 | T15-S19 WeakPolarHBondContact O-CB 3.45Å; T15-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-N 3.5Å; S19-C22 PolarHBondContact O-N 3.1Å; S19-R23 WeakPolarHBondContact O-CG 3.26Å; S19-R23 PolarHBondContact O-N 3.39Å |
| 20 | N | 76.2 | Confident | 69.6 | Low | 86 Ų | 86 | 108.6 Ų | 108.6 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 175.9 | -75 | -14.2 | 0 | 0 | 0 | 112.3 | L16 Y17 R23 F24 | L16-N20 WeakPolarHBondContact O-CB 3.43Å; L16-N20 PolarHBondContact O-N 3.27Å; Y17-N20 PolarHBondContact O-N 2.89Å; N20-R23 PolarHBondContact O-N 2.67Å; N20-F24 WeakPolarHBondContact O-CB 3.04Å; N20-F24 PolarHBondContact O-N 2.64Å |
| 21 | L | 78.7 | Confident | 69.7 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 174.2 | -171.9 | 67.8 | 0 | 0 | 0 | 111.5 | Y17 I18 F24 L25 | Y17-L21 VanDerWaalsContact O-CB 3.32Å; Y17-L21 WeakPolarHBondContact O-CB 3.29Å; Y17-L21 PolarHBondContact O-N 3Å; I18-L21 PolarHBondContact O-N 3.16Å; L21-F24 PolarHBondContact O-N 2.93Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 WeakPolarHBondContact O-CB 3.18Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.22Å; L21-L25 PolarHBondContact O-N 3.37Å |
| 22 | C | 73.8 | Confident | 69.7 | Low | 69 Ų | 69 | 109 Ų | 109 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 172.2 | -76.6 | 0 | 0 | 0 | 0 | 112 | I18 S19 L25 C26 | I18-C22 WeakPolarHBondContact O-CB 3.14Å; I18-C22 PolarHBondContact O-N 3.1Å; I18-C22 PolarHBondContact O-SG 3.03Å; S19-C22 PolarHBondContact O-N 3.1Å; C22-L25 PolarHBondContact O-N 3.2Å; C22-C26 VanDerWaalsContact O-CB 3.32Å; C22-C26 WeakPolarHBondContact O-CB 3.28Å; C22-C26 PolarHBondContact O-N 2.95Å; C22-C26 PolarHBondContact O-SG 2.82Å |
| 23 | R | 75.2 | Confident | 69.5 | Low | 164 Ų | 164 | 108 Ų | 108 | 62% | 0.619 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.8 | -46.4 | 172.7 | -77.5 | 176.3 | 171.5 | -169.7 | -3.8 | 111.3 | S19 N20 C26 I27 | S19-R23 WeakPolarHBondContact O-CG 3.26Å; S19-R23 PolarHBondContact O-N 3.39Å; N20-R23 PolarHBondContact O-N 2.67Å; R23-C26 PolarHBondContact O-N 2.67Å; R23-I27 WeakPolarHBondContact O-CB 3.24Å; R23-I27 WeakPolarHBondContact O-CD1 3.07Å; R23-I27 WeakPolarHBondContact O-CG1 3.25Å; R23-I27 PolarHBondContact O-N 2.73Å |
| 24 | F | 76.5 | Confident | 68.7 | Low | 130 Ų | 130 | 102.6 Ų | 102.6 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 177.2 | -172.7 | -98 | 0 | 0 | 0 | 111.7 | N20 L21 C26 I27 V28 | N20-F24 WeakPolarHBondContact O-CB 3.04Å; N20-F24 PolarHBondContact O-N 2.64Å; L21-F24 PolarHBondContact O-N 2.93Å; F24-C26 PolarHBondContact O-N 2.76Å; F24-I27 PolarHBondContact O-N 3.16Å; F24-V28 HydrophobicContact CD1-CG2 4.02Å; F24-V28 HydrophobicContact CE1-CG2 3.7Å; F24-V28 HydrophobicContact CE2-CG2 4.45Å; F24-V28 HydrophobicContact CZ-CG2 3.94Å; F24-V28 WeakPolarHBondContact O-CB 3.23Å; F24-V28 VanDerWaalsContact O-CG2 3.31Å; F24-V28 WeakPolarHBondContact O-CG2 3.49Å; F24-V28 PolarHBondContact O-N 2.72Å |
| 25 | L | 77.7 | Confident | 67.4 | Low | 101 Ų | 101 | 102 Ų | 102 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.7 | -72.8 | 169.2 | 0 | 0 | 0 | 112.7 | L21 C22 A29 | L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 WeakPolarHBondContact O-CB 3.18Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.22Å; L21-L25 PolarHBondContact O-N 3.37Å; C22-L25 PolarHBondContact O-N 3.2Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.44Å |
| 26 | C | 69.8 | Low | 65.8 | Low | 90 Ų | 90 | 106.8 Ų | 106.8 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67 | -39.7 | 172.1 | -74.8 | 0 | 0 | 0 | 0 | 112 | C22 R23 F24 Y30 | C22-C26 VanDerWaalsContact O-CB 3.32Å; C22-C26 WeakPolarHBondContact O-CB 3.28Å; C22-C26 PolarHBondContact O-N 2.95Å; C22-C26 PolarHBondContact O-SG 2.82Å; R23-C26 PolarHBondContact O-N 2.67Å; F24-C26 PolarHBondContact O-N 2.76Å; C26-Y30 VanDerWaalsContact O-CB 3.27Å; C26-Y30 WeakPolarHBondContact O-CB 3.37Å; C26-Y30 PolarHBondContact O-N 2.82Å |
| 27 | I | 74.1 | Confident | 64 | Low | 89 Ų | 89 | 105 Ų | 105 | 46% | 0.456 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.2 | -46.6 | 175.8 | -73.6 | 165.2 | 0 | 0 | 0 | 110.5 | R23 F24 Y30 F31 | R23-I27 WeakPolarHBondContact O-CB 3.24Å; R23-I27 WeakPolarHBondContact O-CD1 3.07Å; R23-I27 WeakPolarHBondContact O-CG1 3.25Å; R23-I27 PolarHBondContact O-N 2.73Å; F24-I27 PolarHBondContact O-N 3.16Å; I27-Y30 WeakPolarHBondContact O-CB 3.43Å; I27-Y30 PolarHBondContact O-N 3.46Å; I27-F31 HydrophobicContact CG2-CD2 3.64Å; I27-F31 HydrophobicContact CG2-CE2 3.72Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.28Å; I27-F31 PolarHBondContact O-N 2.91Å |
| 28 | V | 71.4 | Confident | 62.3 | Low | 61 Ų | 61 | 105.4 Ų | 105.4 | 37% | 0.37 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -42.1 | 175.3 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | F24 F31 S32 | F24-V28 HydrophobicContact CD1-CG2 4.02Å; F24-V28 HydrophobicContact CE1-CG2 3.7Å; F24-V28 HydrophobicContact CE2-CG2 4.45Å; F24-V28 HydrophobicContact CZ-CG2 3.94Å; F24-V28 WeakPolarHBondContact O-CB 3.23Å; F24-V28 VanDerWaalsContact O-CG2 3.31Å; F24-V28 WeakPolarHBondContact O-CG2 3.49Å; F24-V28 PolarHBondContact O-N 2.72Å; V28-F31 CarbonylContact O-C 3.53Å; V28-F31 PolarHBondContact O-N 2.92Å; V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 2.76Å; V28-S32 PolarHBondContact O-OG 3.43Å |
| 29 | A | 66.1 | Low | 60 | Low | 53 Ų | 53 | 106.2 Ų | 106.2 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 S32 V33 | L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.44Å; A29-S32 PolarHBondContact O-N 2.81Å; A29-V33 WeakPolarHBondContact O-CB 3.27Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.32Å; A29-V33 PolarHBondContact O-N 2.75Å |
| 30 | Y | 62.7 | Low | 58.5 | Low | 158 Ų | 158 | 105.6 Ų | 105.6 | 62% | 0.62 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -52 | 174.1 | -162 | -100.8 | 0 | 0 | 0 | 110.4 | C26 I27 S32 V33 V34 | C26-Y30 VanDerWaalsContact O-CB 3.27Å; C26-Y30 WeakPolarHBondContact O-CB 3.37Å; C26-Y30 PolarHBondContact O-N 2.82Å; I27-Y30 WeakPolarHBondContact O-CB 3.43Å; I27-Y30 PolarHBondContact O-N 3.46Å; Y30-S32 PolarHBondContact O-N 2.83Å; Y30-V33 PolarHBondContact O-N 2.86Å; Y30-V33 VanDerWaalsContact O-N 3.08Å; Y30-V34 HydrophobicContact CD1-CG2 3.95Å; Y30-V34 HydrophobicContact CE1-CG2 3.9Å; Y30-V34 HydrophobicContact CG-CG2 4.34Å; Y30-V34 VanDerWaalsContact O-CB 3.27Å; Y30-V34 WeakPolarHBondContact O-CB 3.48Å; Y30-V34 WeakPolarHBondContact O-CG2 3.41Å; Y30-V34 PolarHBondContact O-N 2.94Å |
| 31 | F | 57.6 | Low | 57.3 | Low | 142 Ų | 142 | 108.9 Ų | 108.9 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -14.8 | 175.8 | -76.1 | -60.9 | 0 | 0 | 0 | 115 | I27 V28 P35 | I27-F31 HydrophobicContact CG2-CD2 3.64Å; I27-F31 HydrophobicContact CG2-CE2 3.72Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.28Å; I27-F31 PolarHBondContact O-N 2.91Å; V28-F31 CarbonylContact O-C 3.53Å; V28-F31 PolarHBondContact O-N 2.92Å; F31-P35 VanDerWaalsContact O-CD 3.27Å; F31-P35 WeakPolarHBondContact O-CD 3.43Å |
| 32 | S | 55.2 | Low | 56.4 | Low | 85 Ų | 85 | 106.9 Ų | 106.9 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -87.6 | -21.9 | 171.3 | -62.1 | 0 | 0 | 0 | 0 | 113 | V28 A29 Y30 P35 | V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 2.76Å; V28-S32 PolarHBondContact O-OG 3.43Å; A29-S32 PolarHBondContact O-N 2.81Å; Y30-S32 PolarHBondContact O-N 2.83Å; S32-P35 VanDerWaalsContact C-CD 3.42Å; S32-P35 WeakPolarHBondContact O-CD 3.44Å |
| 33 | V | 51.5 | Low | 55.9 | Low | 117 Ų | 117 | 104.1 Ų | 104.1 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -93.6 | -28.3 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 112 | A29 Y30 | A29-V33 WeakPolarHBondContact O-CB 3.27Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.32Å; A29-V33 PolarHBondContact O-N 2.75Å; Y30-V33 PolarHBondContact O-N 2.86Å; Y30-V33 VanDerWaalsContact O-N 3.08Å |
| 34 | V | 47.6 | Very low | 55.6 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -83.1 | -11.2 | -179.1 | 171.5 | 0 | 0 | 0 | 0 | 117.2 | Y30 K36 | Y30-V34 HydrophobicContact CD1-CG2 3.95Å; Y30-V34 HydrophobicContact CE1-CG2 3.9Å; Y30-V34 HydrophobicContact CG-CG2 4.34Å; Y30-V34 VanDerWaalsContact O-CB 3.27Å; Y30-V34 WeakPolarHBondContact O-CB 3.48Å; Y30-V34 WeakPolarHBondContact O-CG2 3.41Å; Y30-V34 PolarHBondContact O-N 2.94Å; V34-K36 PolarHBondContact O-N 3.39Å |
| 35 | P | 41.8 | Very low | 55.6 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 3.1 | -171.5 | 34 | -32.3 | 0 | 0 | 0 | 113.9 | F31 S32 A37 | F31-P35 VanDerWaalsContact O-CD 3.27Å; F31-P35 WeakPolarHBondContact O-CD 3.43Å; S32-P35 VanDerWaalsContact C-CD 3.42Å; S32-P35 WeakPolarHBondContact O-CD 3.44Å; P35-A37 PolarHBondContact O-N 2.86Å |
| 36 | K | 34.7 | Very low | 55.8 | Low | 193 Ų | 193 | 95.3 Ų | 95.3 | 84% | 0.839 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 3.8 | -179 | -69.5 | -168.3 | 172.3 | -171.2 | 0 | 115.2 | V34 | V34-K36 PolarHBondContact O-N 3.39Š|
| 37 | A | 32.7 | Very low | 56.7 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -106.3 | -5.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P35 | P35-A37 PolarHBondContact O-N 2.86Š|
| 38 | Y | 35.2 | Very low | 57.3 | Low | 197 Ų | 197 | 92.8 Ų | 92.8 | 77% | 0.773 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -124.5 | 49.5 | -171.3 | -91.2 | -84.2 | 0 | 0 | 0 | 114.6 | ||
| 39 | C | 28.9 | Very low | 57.9 | Low | 108 Ų | 108 | 92.3 Ų | 92.3 | 73% | 0.73 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -142.3 | 144 | 154.2 | -100.8 | 0 | 0 | 0 | 0 | 108 | Q41 | C39-Q41 PolarHBondContact O-N 2.81Š|
| 40 | S | 41.8 | Very low | 58.3 | Low | 42 Ų | 42 | 92.2 Ų | 92.2 | 29% | 0.294 | 50% | 0.499 | S | S | . | . | trans | -73.5 | 96.4 | 168.8 | -149.7 | 0 | 0 | 0 | 0 | 107.9 | V42 D176 | S40-V42 VanDerWaalsContact C-N 3.3Å; S40-V42 PolarHBondContact O-N 3.16Å; S40-D176 PolarHBondContact OG-OD2 3.33Å | ||
| 41 | Q | 50.6 | Low | 58.5 | Low | 156 Ų | 156 | 91.4 Ų | 91.4 | 73% | 0.729 | 50% | 0.499 | S | S | * | . | trans | -73.3 | 90.9 | 174.2 | -69.6 | -164.5 | -35.3 | 0 | 0 | 108.7 | C39 | C39-Q41 PolarHBondContact O-N 2.81Š| ||
| 42 | V | 59.1 | Low | 58.8 | Low | 55 Ų | 55 | 91.3 Ų | 91.3 | 33% | 0.333 | 51% | 0.505 | S | S | . | . | trans | -45.9 | 127.1 | 167 | 174.1 | 0 | 0 | 0 | 0 | 108.3 | S40 V46 | S40-V42 VanDerWaalsContact C-N 3.3Å; S40-V42 PolarHBondContact O-N 3.16Å; V42-V46 HydrophobicContact CG1-CB 3.75Å; V42-V46 HydrophobicContact CG1-CG1 3.87Å | ||
| 43 | P | 63.5 | Low | 60.1 | Low | 10 Ų | 10 | 90 Ų | 90 | 7% | 0.065 | 49% | 0.49 | C | S | . | . | trans | -58.9 | 142.6 | -173.5 | -23.7 | 32.2 | 0 | 0 | 0 | 112.8 | G45 V46 S295 V298 | P43-G45 PolarHBondContact O-N 2.71Å; P43-V46 HydrophobicContact CB-CG2 3.9Å; P43-V46 HydrophobicContact CG-CG2 4.24Å; P43-V46 WeakPolarHBondContact O-CB 3.48Å; P43-V46 VanDerWaalsContact O-CG2 3.29Å; P43-V46 WeakPolarHBondContact O-CG2 3.49Å; P43-V46 PolarHBondContact O-N 2.9Å; P43-V46 VanDerWaalsContact O-N 3.08Å; P43-S295 WeakPolarHBondContact CG-OG 3.43Å; P43-V298 HydrophobicContact CG-CG2 3.93Å | ||
| 44 | N | 68.9 | Low | 61.7 | Low | 156 Ų | 156 | 86 Ų | 86 | 83% | 0.834 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 129.6 | 178.7 | -72.3 | -7.1 | 0 | 0 | 0 | 111 | F282 | N44-F282 WeakPolarHBondContact O-CE2 3.37Š|
| 45 | G | 76.2 | Confident | 63.6 | Low | 36 Ų | 36 | 86.6 Ų | 86.6 | 37% | 0.371 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -0.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | P43 E283 | P43-G45 PolarHBondContact O-N 2.71Å; G45-E283 PolarHBondContact O-N 3.31Å |
| 46 | V | 83.3 | Confident | 65.9 | Low | 18 Ų | 18 | 83.4 Ų | 83.4 | 11% | 0.109 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.8 | 170.3 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | V42 P43 Q280 Y281 F282 V298 | V42-V46 HydrophobicContact CG1-CB 3.75Å; V42-V46 HydrophobicContact CG1-CG1 3.87Å; P43-V46 HydrophobicContact CB-CG2 3.9Å; P43-V46 HydrophobicContact CG-CG2 4.24Å; P43-V46 WeakPolarHBondContact O-CB 3.48Å; P43-V46 VanDerWaalsContact O-CG2 3.29Å; P43-V46 WeakPolarHBondContact O-CG2 3.49Å; P43-V46 PolarHBondContact O-N 2.9Å; P43-V46 VanDerWaalsContact O-N 3.08Å; V46-Q280 HydrophobicContact CG1-CB 3.68Å; V46-Q280 HydrophobicContact CG1-CG 4.44Å; V46-Y281 CarbonylContact C-O 3.43Å; V46-Y281 WeakPolarHBondContact CA-O 3.45Å; V46-F282 HydrophobicContact CG2-CD2 3.81Å; V46-V298 HydrophobicContact CG1-CG2 4.38Å; V46-V298 HydrophobicContact CG2-CB 3.89Å; V46-V298 HydrophobicContact CG2-CG2 3.57Å |
| 47 | K | 87.3 | Confident | 68.3 | Low | 91 Ų | 91 | 81 Ų | 81 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 158.8 | 175.2 | -70.6 | -170.8 | -176 | 174.2 | 0 | 111.4 | Q280 Y281 E283 | K47-Q280 CarbonylContact O-C 3.48Å; K47-Q280 WeakPolarHBondContact O-CA 3.37Å; K47-Y281 HydrophobicContact CB-CD1 4.17Å; K47-Y281 HydrophobicContact CB-CD2 4.35Å; K47-Y281 HydrophobicContact CB-CE1 3.66Å; K47-Y281 HydrophobicContact CB-CE2 3.86Å; K47-Y281 HydrophobicContact CB-CG 4.49Å; K47-Y281 VanDerWaalsContact CB-CZ 3.48Å; K47-Y281 HydrophobicContact CD-CE2 4.01Å; K47-Y281 HydrophobicContact CG-CE2 4.47Å; K47-Y281 PolarHBondContact N-O 3.41Å; K47-Y281 WeakPolarHBondContact O-CD1 3.32Å; K47-Y281 PolarHBondContact O-N 3.37Å; K47-E283 HydrophobicContact CD-CG 4.45Å; K47-E283 WeakPolarHBondContact CD-OE1 3.29Å; K47-E283 VanDerWaalsContact CE-CD 3.4Å; K47-E283 WeakPolarHBondContact CE-OE1 3.37Å; K47-E283 WeakPolarHBondContact CE-OE2 3.4Å; K47-E283 IonicContact NZ-OE1 3.87Å; K47-E283 PolarHBondContact NZ-OE1 3.46Å; K47-E283 IonicContact NZ-OE2 3.08Å; K47-E283 PolarHBondContact NZ-OE2 2.87Å |
| 48 | S | 86.6 | Confident | 70.9 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 25% | 0.245 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.9 | 177.1 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | N50 K120 K279 | S48-N50 WeakPolarHBondContact CB-O 3.46Å; S48-N50 PolarHBondContact OG-O 3.3Å; S48-K120 PolarHBondContact OG-NZ 2.89Å; S48-K279 WeakPolarHBondContact CA-O 3.47Å |
| 49 | V | 84.9 | Confident | 73.6 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -66.4 | -47.5 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | K279 Y281 W380 E408 | V49-K279 HydrophobicContact CB-CB 4.23Å; V49-K279 HydrophobicContact CB-CD 4.46Å; V49-K279 HydrophobicContact CG2-CB 4.43Å; V49-K279 HydrophobicContact CG2-CD 4.49Å; V49-K279 PolarHBondContact N-O 2.79Å; V49-Y281 HydrophobicContact CG2-CD1 3.73Å; V49-Y281 HydrophobicContact CG2-CE1 4.17Å; V49-W380 HydrophobicContact CG2-CH2 4.1Å; V49-W380 HydrophobicContact CG2-CZ2 3.97Å; V49-E408 HydrophobicContact CG2-CG 4.14Å |
| 50 | N | 74 | Confident | 76.5 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | trans | -93.1 | 129.1 | 176.5 | -62 | -4.9 | 0 | 0 | 0 | 109.5 | S48 S207 | S48-N50 WeakPolarHBondContact CB-O 3.46Å; S48-N50 PolarHBondContact OG-O 3.3Å; N50-S207 PolarHBondContact ND2-OG 2.73Å | ||
| 51 | K | 66 | Low | 79 | Confident | 141 Ų | 141 | 75 Ų | 75 | 61% | 0.613 | 44% | 0.435 | S | S | * | . | trans | -90.4 | -38.2 | 165.9 | -60.2 | -163.4 | -173.6 | -164 | 0 | 111.4 | L53 D710 | K51-L53 PolarHBondContact O-N 3.34Å; K51-D710 VanDerWaalsContact CE-OD2 3.24Å; K51-D710 WeakPolarHBondContact CE-OD2 3.46Å; K51-D710 IonicContact NZ-OD1 2.75Å; K51-D710 IonicContact NZ-OD2 2.67Å; K51-D710 PolarHBondContact NZ-OD2 3.05Å | ||
| 52 | D | 65.4 | Low | 81.1 | Confident | 140 Ų | 140 | 67.9 Ų | 67.9 | 75% | 0.749 | 40% | 0.403 | S | S | * | . | trans | -78.1 | 103.8 | -171.9 | -48.6 | -58.3 | 0 | 0 | 0 | 112 | ||||
| 53 | L | 81.5 | Confident | 82.8 | Confident | 57 Ų | 57 | 66 Ų | 66 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | trans | -110.9 | 101.4 | 174.8 | -63.2 | 173.9 | 0 | 0 | 0 | 109.4 | K51 K120 | K51-L53 PolarHBondContact O-N 3.34Å; L53-K120 HydrophobicContact CD1-CB 4.32Å; L53-K120 HydrophobicContact CD1-CD 3.79Å; L53-K120 HydrophobicContact CD1-CG 4.15Å; L53-K120 HydrophobicContact CD2-CB 4.11Å; L53-K120 HydrophobicContact CD2-CD 4.11Å | ||
| 54 | G | 85.5 | Confident | 84.4 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 158.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y205 G206 | G54-Y205 VanDerWaalsContact O-CA 3.3Å; G54-Y205 WeakPolarHBondContact O-CA 3.49Å; G54-G206 PolarHBondContact N-O 3.42Å; G54-G206 PolarHBondContact O-N 2.91Å |
| 55 | P | 88.5 | Confident | 85.7 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 133.8 | 161.3 | 28.3 | -32.6 | 0 | 0 | 0 | 109.3 | T57 Y205 | P55-T57 PolarHBondContact O-N 3.37Å; P55-Y205 HydrophobicContact CB-CD1 4.35Å; P55-Y205 HydrophobicContact CB-CE1 3.91Å; P55-Y205 HydrophobicContact CB-CE2 4.07Å; P55-Y205 HydrophobicContact CG-CE1 4.3Å |
| 56 | L | 88.4 | Confident | 86.6 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | trans | -80.2 | 104.2 | 175.5 | -61.4 | -173.6 | 0 | 0 | 0 | 109.7 | L58 F113 K117 I119 I204 | L56-L58 PolarHBondContact O-N 2.78Å; L56-F113 HydrophobicContact CD1-CD1 4.08Å; L56-F113 HydrophobicContact CD1-CE1 3.84Å; L56-K117 HydrophobicContact CD1-CB 4.14Å; L56-K117 HydrophobicContact CD1-CG 4.18Å; L56-I119 HydrophobicContact CD1-CG1 4.5Å; L56-I204 HydrophobicContact CD1-CG2 3.77Å; L56-I204 HydrophobicContact CG-CG2 4.37Å; L56-I204 PolarHBondContact N-O 3.36Å | ||
| 57 | T | 86 | Confident | 87.2 | Confident | 141 Ų | 141 | 62 Ų | 62 | 87% | 0.865 | 37% | 0.371 | S | S | * | . | trans | -66.5 | 122.6 | 172 | -46.1 | 0 | 0 | 0 | 0 | 110 | P55 | P55-T57 PolarHBondContact O-N 3.37Š| ||
| 58 | L | 87.9 | Confident | 87.5 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | trans | -130.9 | 132.9 | -173.7 | -69.9 | 173 | 0 | 0 | 0 | 111 | L56 A62 F63 I111 F113 | L56-L58 PolarHBondContact O-N 2.78Å; L58-A62 HydrophobicContact CB-CB 4.24Å; L58-A62 HydrophobicContact CD2-CB 4.31Å; L58-F63 HydrophobicContact CB-CE2 3.73Å; L58-F63 HydrophobicContact CB-CZ 4.16Å; L58-F63 HydrophobicContact CD1-CE2 4.14Å; L58-F63 HydrophobicContact CD1-CZ 3.8Å; L58-I111 HydrophobicContact CD1-CG2 3.63Å; L58-F113 HydrophobicContact CD1-CD1 4.33Å; L58-F113 HydrophobicContact CD1-CE1 4.06Å; L58-F113 HydrophobicContact CD2-CD1 3.85Å; L58-F113 HydrophobicContact CD2-CE1 4.41Å | ||
| 59 | P | 91.2 | Very high | 87.7 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | trans | -70.4 | 157.3 | 174.8 | 31.5 | -35.8 | 0 | 0 | 0 | 110.9 | S61 A62 | P59-S61 PolarHBondContact O-N 3.08Å; P59-S61 VanDerWaalsContact O-N 3.1Å; P59-A62 HydrophobicContact CG-CB 4.24Å; P59-A62 VanDerWaalsContact O-CB 3.25Å; P59-A62 WeakPolarHBondContact O-CB 3.49Å; P59-A62 PolarHBondContact O-N 3.01Å | ||
| 60 | P | 89.9 | Confident | 87.9 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -55.2 | -30.6 | 176.5 | -27.9 | 36.3 | 0 | 0 | 0 | 114.1 | A62 F63 H78 | P60-A62 PolarHBondContact O-N 2.85Å; P60-F63 PolarHBondContact O-N 3.41Å; P60-H78 HydrophobicContact CB-CB 3.86Å |
| 61 | S | 93.7 | Very high | 88.7 | Confident | 109 Ų | 109 | 66 Ų | 66 | 76% | 0.762 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -68.9 | -13.6 | 176.4 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | P59 F63 | P59-S61 PolarHBondContact O-N 3.08Å; P59-S61 VanDerWaalsContact O-N 3.1Å; S61-F63 PolarHBondContact O-N 2.68Å |
| 62 | A | 94.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 5% | 0.05 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -69.9 | -22.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L58 P59 P60 I111 D112 | L58-A62 HydrophobicContact CB-CB 4.24Å; L58-A62 HydrophobicContact CD2-CB 4.31Å; P59-A62 HydrophobicContact CG-CB 4.24Å; P59-A62 VanDerWaalsContact O-CB 3.25Å; P59-A62 WeakPolarHBondContact O-CB 3.49Å; P59-A62 PolarHBondContact O-N 3.01Å; P60-A62 PolarHBondContact O-N 2.85Å; A62-I111 WeakPolarHBondContact O-CA 3.41Å; A62-D112 VanDerWaalsContact CB-O 3.29Å; A62-D112 WeakPolarHBondContact CB-O 3.23Å; A62-D112 PolarHBondContact O-N 2.86Å |
| 63 | F | 95.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.4 | -171.9 | -64.3 | -97.1 | 0 | 0 | 0 | 111.7 | L58 P60 S61 P77 H78 N81 Q110 I111 | L58-F63 HydrophobicContact CB-CE2 3.73Å; L58-F63 HydrophobicContact CB-CZ 4.16Å; L58-F63 HydrophobicContact CD1-CE2 4.14Å; L58-F63 HydrophobicContact CD1-CZ 3.8Å; P60-F63 PolarHBondContact O-N 3.41Å; S61-F63 PolarHBondContact O-N 2.68Å; F63-P77 HydrophobicContact CB-CB 3.94Å; F63-H78 HydrophobicContact CB-CB 4.22Å; F63-H78 HydrophobicContact CD2-CB 4.49Å; F63-N81 HydrophobicContact CE1-CB 4.12Å; F63-N81 HydrophobicContact CE2-CB 3.91Å; F63-N81 HydrophobicContact CZ-CB 3.56Å; F63-Q110 WeakPolarHBondContact CA-O 3.3Å; F63-I111 HydrophobicContact CD1-CD1 4.21Å; F63-I111 HydrophobicContact CD1-CG1 3.8Å; F63-I111 HydrophobicContact CE1-CD1 3.71Å; F63-I111 HydrophobicContact CE1-CG1 3.76Å |
| 64 | S | 96.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 160.2 | 176.8 | 45.7 | 0 | 0 | 0 | 0 | 109.7 | Q110 | S64-Q110 PolarHBondContact N-O 2.91Å; S64-Q110 PolarHBondContact O-N 3.03Å; S64-Q110 VanDerWaalsContact O-O 3.1Å; S64-Q110 PolarHBondContact OG-NE2 2.91Å |
| 65 | A | 96.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 165.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P77 W95 W108 | A65-P77 HydrophobicContact CB-CB 4.23Å; A65-P77 HydrophobicContact CB-CG 3.67Å; A65-W95 HydrophobicContact CB-CZ2 4.01Å; A65-W95 VanDerWaalsContact CB-NE1 3.33Å; A65-W108 VanDerWaalsContact CA-CZ3 3.47Å; A65-W108 WeakPolarHBondContact CA-O 3.29Å; A65-W108 WeakPolarHBondContact CB-O 3.25Å |
| 66 | S | 95.6 | Very high | 91.7 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -59.4 | -43.7 | 167 | 44.9 | 0 | 0 | 0 | 0 | 112.7 | E107 W108 | S66-E107 VanDerWaalsContact CB-OE2 3.29Å; S66-E107 WeakPolarHBondContact CB-OE2 3.34Å; S66-E107 VanDerWaalsContact OG-CA 3.32Å; S66-E107 WeakPolarHBondContact OG-CA 3.36Å; S66-E107 PolarHBondContact OG-OE2 2.98Å; S66-W108 PolarHBondContact N-O 2.91Å; S66-W108 PolarHBondContact OG-N 3.01Å; S66-W108 PolarHBondContact OG-O 2.88Å |
| 67 | S | 94.8 | Very high | 92 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | trans | -157.8 | 168.9 | -177.3 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | W95 A98 E107 | S67-W95 PolarHBondContact O-NE1 3Å; S67-A98 WeakPolarHBondContact OG-CB 3.44Å; S67-A98 PolarHBondContact OG-N 2.87Å; S67-E107 WeakPolarHBondContact CB-OE2 3.44Å; S67-E107 PolarHBondContact OG-OE1 2.83Å; S67-E107 VanDerWaalsContact OG-OE1 3.14Å; S67-E107 PolarHBondContact OG-OE2 3.28Å | ||
| 68 | V | 93.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | trans | -137.6 | 130.3 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110 | Q70 N71 Y75 P77 | V68-Q70 PolarHBondContact O-N 2.93Å; V68-Q70 VanDerWaalsContact O-N 3.12Å; V68-N71 PolarHBondContact O-N 3.12Å; V68-N71 VanDerWaalsContact O-N 3.15Å; V68-Y75 WeakPolarHBondContact CG1-O 3.35Å; V68-P77 HydrophobicContact CG2-CG 4.16Å | ||
| 69 | Y | 91.3 | Very high | 92.4 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -57.6 | 117 | 179 | -170.1 | -103.8 | 0 | 0 | 0 | 112.2 | N71 K72 Y75 C96 P97 L197 | Y69-N71 PolarHBondContact O-N 3.12Å; Y69-K72 PolarHBondContact O-N 2.95Å; Y69-Y75 AromaticContact CD1-CD2 3.82Å; Y69-Y75 HydrophobicContact CD1-CD2 3.82Å; Y69-Y75 AromaticContact CD1-CE2 3.7Å; Y69-Y75 HydrophobicContact CD1-CE2 3.7Å; Y69-Y75 HydrophobicContact CE1-CE2 4.43Å; Y69-Y75 HydrophobicContact CG-CD2 4.43Å; Y69-Y75 WeakPolarHBondContact O-CD2 3.45Å; Y69-C96 PolarHBondContact N-O 2.87Å; Y69-P97 WeakPolarHBondContact CB-O 3.14Å; Y69-L197 HydrophobicContact CD1-CD2 4.37Å; Y69-L197 HydrophobicContact CD2-CD1 3.6Å; Y69-L197 HydrophobicContact CD2-CD2 4.45Å; Y69-L197 HydrophobicContact CE1-CD2 4.21Å; Y69-L197 HydrophobicContact CE2-CD1 4.01Å; Y69-L197 HydrophobicContact CE2-CD2 4.3Å; Y69-L197 HydrophobicContact CG-CD1 3.95Å; Y69-L197 HydrophobicContact CG-CD2 4.48Å |
| 70 | Q | 89.8 | Confident | 92.4 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | 54.3 | 17 | -178.5 | -59.5 | 176.7 | -13.6 | 0 | 0 | 114.5 | V68 K72 | V68-Q70 PolarHBondContact O-N 2.93Å; V68-Q70 VanDerWaalsContact O-N 3.12Å; Q70-K72 HydrophobicContact CB-CD 4.2Å; Q70-K72 HydrophobicContact CB-CG 4.11Å; Q70-K72 PolarHBondContact O-N 2.68Å; Q70-K72 VanDerWaalsContact OE1-CE 3.23Å |
| 71 | N | 89.8 | Confident | 92.4 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 66% | 0.663 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | 50.4 | 18.9 | -170.6 | -70.1 | -28.7 | 0 | 0 | 0 | 115.5 | V68 Y69 Q76 | V68-N71 PolarHBondContact O-N 3.12Å; V68-N71 VanDerWaalsContact O-N 3.15Å; Y69-N71 PolarHBondContact O-N 3.12Å; N71-Q76 PolarHBondContact O-NE2 2.89Å; N71-Q76 VanDerWaalsContact O-NE2 3.1Å |
| 72 | K | 89.3 | Confident | 92 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | trans | -66.9 | 147.5 | -174.7 | -81.2 | 176 | 169.2 | 167.5 | 0 | 112.7 | Y69 Q70 E74 Y75 | Y69-K72 PolarHBondContact O-N 2.95Å; Q70-K72 HydrophobicContact CB-CD 4.2Å; Q70-K72 HydrophobicContact CB-CG 4.11Å; Q70-K72 PolarHBondContact O-N 2.68Å; Q70-K72 VanDerWaalsContact OE1-CE 3.23Å; K72-E74 PolarHBondContact O-N 3.31Å; K72-Y75 HydrophobicContact CB-CD2 3.82Å; K72-Y75 HydrophobicContact CB-CE2 4.34Å; K72-Y75 HydrophobicContact CD-CD2 4.26Å; K72-Y75 HydrophobicContact CD-CE2 4Å; K72-Y75 PolarHBondContact O-N 3.03Å; K72-Y75 VanDerWaalsContact O-N 3.12Å | ||
| 73 | P | 89.1 | Confident | 91.4 | Very high | 92 Ų | 92 | 51.3 Ų | 51.3 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.7 | -178.3 | 27.2 | -35.4 | 0 | 0 | 0 | 113.3 | Y75 K79 | P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 PolarHBondContact O-N 3.11Å; P73-K79 WeakPolarHBondContact O-CE 3.45Å |
| 74 | E | 88.4 | Confident | 90.4 | Very high | 69 Ų | 69 | 51.4 Ų | 51.4 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -74.7 | -19.9 | 178.2 | -55.1 | 119 | 148 | 0 | 0 | 113.3 | K72 G93 A94 L129 | K72-E74 PolarHBondContact O-N 3.31Å; E74-G93 VanDerWaalsContact O-CA 3.24Å; E74-G93 WeakPolarHBondContact O-CA 3.44Å; E74-A94 PolarHBondContact O-N 2.72Å; E74-A94 VanDerWaalsContact O-N 3.16Å; E74-L129 HydrophobicContact CB-CD1 3.86Å; E74-L129 HydrophobicContact CB-CG 4.47Å; E74-L129 HydrophobicContact CG-CD1 3.77Å |
| 75 | Y | 91.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -107 | 5.8 | -174.8 | -55.6 | -44.1 | 0 | 0 | 0 | 114.3 | V68 Y69 K72 P73 A94 C96 L129 N130 | V68-Y75 WeakPolarHBondContact CG1-O 3.35Å; Y69-Y75 AromaticContact CD1-CD2 3.82Å; Y69-Y75 HydrophobicContact CD1-CD2 3.82Å; Y69-Y75 AromaticContact CD1-CE2 3.7Å; Y69-Y75 HydrophobicContact CD1-CE2 3.7Å; Y69-Y75 HydrophobicContact CE1-CE2 4.43Å; Y69-Y75 HydrophobicContact CG-CD2 4.43Å; Y69-Y75 WeakPolarHBondContact O-CD2 3.45Å; K72-Y75 HydrophobicContact CB-CD2 3.82Å; K72-Y75 HydrophobicContact CB-CE2 4.34Å; K72-Y75 HydrophobicContact CD-CD2 4.26Å; K72-Y75 HydrophobicContact CD-CE2 4Å; K72-Y75 PolarHBondContact O-N 3.03Å; K72-Y75 VanDerWaalsContact O-N 3.12Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 PolarHBondContact O-N 3.11Å; Y75-A94 VanDerWaalsContact CA-O 3.31Å; Y75-A94 WeakPolarHBondContact CA-O 3.36Å; Y75-C96 HydrophobicContact CD1-CB 4.21Å; Y75-C96 WeakPolarHBondContact CD1-SG 3.22Å; Y75-C96 HydrophobicContact CG-CB 4.31Å; Y75-L129 HydrophobicContact CE1-CD1 4.49Å; Y75-N130 PolarHBondContact OH-ND2 2.87Å |
| 76 | Q | 92.7 | Very high | 87.6 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -64.7 | 152.4 | -177.8 | -69 | -64.6 | -26.1 | 0 | 0 | 112.8 | N71 H78 K79 | N71-Q76 PolarHBondContact O-NE2 2.89Å; N71-Q76 VanDerWaalsContact O-NE2 3.1Å; Q76-H78 VanDerWaalsContact C-N 3.28Å; Q76-H78 PolarHBondContact O-N 3.02Å; Q76-H78 VanDerWaalsContact O-N 3.14Å; Q76-K79 HydrophobicContact CB-CG 4.37Å; Q76-K79 VanDerWaalsContact O-CB 3.28Å; Q76-K79 WeakPolarHBondContact O-CB 3.43Å; Q76-K79 PolarHBondContact O-N 3.47Å |
| 77 | P | 93.7 | Very high | 85.8 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -56.5 | -37.5 | -172.8 | -28 | 37.6 | 0 | 0 | 0 | 114.1 | F63 A65 V68 K79 A80 L109 | F63-P77 HydrophobicContact CB-CB 3.94Å; A65-P77 HydrophobicContact CB-CB 4.23Å; A65-P77 HydrophobicContact CB-CG 3.67Å; V68-P77 HydrophobicContact CG2-CG 4.16Å; P77-K79 PolarHBondContact O-N 3.39Å; P77-A80 VanDerWaalsContact O-CB 3.23Å; P77-A80 WeakPolarHBondContact O-CB 3.2Å; P77-A80 PolarHBondContact O-N 3.25Å; P77-A80 VanDerWaalsContact O-N 3.11Å; P77-L109 HydrophobicContact CB-CD1 3.81Å |
| 78 | H | 91.9 | Very high | 83.9 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -67.3 | -19.2 | 178.2 | 68.4 | -99.6 | 0 | 0 | 0 | 113.8 | P60 F63 Q76 A80 N81 | P60-H78 HydrophobicContact CB-CB 3.86Å; F63-H78 HydrophobicContact CB-CB 4.22Å; F63-H78 HydrophobicContact CD2-CB 4.49Å; Q76-H78 VanDerWaalsContact C-N 3.28Å; Q76-H78 PolarHBondContact O-N 3.02Å; Q76-H78 VanDerWaalsContact O-N 3.14Å; H78-A80 PolarHBondContact O-N 3.41Å; H78-N81 PolarHBondContact O-N 3.17Å |
| 79 | K | 90.6 | Very high | 81.8 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 27% | 0.265 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -74.3 | -9 | 173.8 | -61.3 | -68.2 | -174.3 | 168.3 | 0 | 112.8 | P73 Q76 P77 N81 A94 | P73-K79 WeakPolarHBondContact O-CE 3.45Å; Q76-K79 HydrophobicContact CB-CG 4.37Å; Q76-K79 VanDerWaalsContact O-CB 3.28Å; Q76-K79 WeakPolarHBondContact O-CB 3.43Å; Q76-K79 PolarHBondContact O-N 3.47Å; P77-K79 PolarHBondContact O-N 3.39Å; K79-N81 VanDerWaalsContact C-N 3.29Å; K79-A94 WeakPolarHBondContact O-CA 3.06Å |
| 80 | A | 91 | Very high | 80 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -67.8 | -28.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P77 H78 F82 W95 L109 R201 L202 | P77-A80 VanDerWaalsContact O-CB 3.23Å; P77-A80 WeakPolarHBondContact O-CB 3.2Å; P77-A80 PolarHBondContact O-N 3.25Å; P77-A80 VanDerWaalsContact O-N 3.11Å; H78-A80 PolarHBondContact O-N 3.41Å; A80-F82 PolarHBondContact O-N 2.91Å; A80-W95 HydrophobicContact CB-CB 3.88Å; A80-L109 HydrophobicContact CB-CD1 4.43Å; A80-L109 HydrophobicContact CB-CD2 3.53Å; A80-R201 CarbonylContact O-C 3.51Å; A80-R201 WeakPolarHBondContact O-CA 3.41Å; A80-R201 WeakPolarHBondContact O-CB 3.22Å; A80-L202 PolarHBondContact O-N 2.9Å |
| 81 | N | 89.7 | Confident | 78.5 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 130.6 | -178.4 | -162.9 | 12.4 | 0 | 0 | 0 | 110.9 | F63 H78 K79 | F63-N81 HydrophobicContact CE1-CB 4.12Å; F63-N81 HydrophobicContact CE2-CB 3.91Å; F63-N81 HydrophobicContact CZ-CB 3.56Å; H78-N81 PolarHBondContact O-N 3.17Å; K79-N81 VanDerWaalsContact C-N 3.29Å |
| 82 | F | 86.4 | Confident | 77.4 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | trans | -141.8 | 160.2 | 173.4 | 81.6 | -79.9 | 0 | 0 | 0 | 112.2 | A80 V84 F123 E125 T170 R201 L202 A203 | A80-F82 PolarHBondContact O-N 2.91Å; F82-V84 HydrophobicContact CE2-CG2 4.23Å; F82-F123 HydrophobicContact CZ-CB 3.93Å; F82-E125 HydrophobicContact CE1-CB 4.14Å; F82-E125 HydrophobicContact CE2-CB 4.42Å; F82-E125 HydrophobicContact CZ-CB 3.96Å; F82-T170 HydrophobicContact CE2-CG2 4.15Å; F82-T170 HydrophobicContact CZ-CG2 3.91Å; F82-R201 HydrophobicContact CD1-CB 3.57Å; F82-R201 HydrophobicContact CE1-CB 4.02Å; F82-R201 HydrophobicContact CG-CB 4.28Å; F82-L202 WeakPolarHBondContact CD1-O 3.03Å; F82-L202 PolarHBondContact N-O 3.35Å; F82-A203 HydrophobicContact CD1-CB 4.19Å; F82-A203 HydrophobicContact CE1-CB 4Å; F82-A203 VanDerWaalsContact CE1-N 3.35Å; F82-A203 HydrophobicContact CZ-CB 4.18Å; F82-A203 VanDerWaalsContact O-CB 3.23Å; F82-A203 WeakPolarHBondContact O-CB 3.1Å | ||
| 83 | V | 82 | Confident | 77.1 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | trans | -103.8 | 124.4 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | F85 A86 | V83-F85 PolarHBondContact O-N 2.69Å; V83-A86 HydrophobicContact CB-CB 4.07Å; V83-A86 HydrophobicContact CG1-CB 4.44Å; V83-A86 PolarHBondContact O-N 2.77Å | ||
| 84 | V | 74.6 | Confident | 77.2 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23 | -169.8 | -179.5 | 0 | 0 | 0 | 0 | 113.9 | F82 F123 A203 Y205 | F82-V84 HydrophobicContact CE2-CG2 4.23Å; V84-F123 HydrophobicContact CB-CD1 4.48Å; V84-F123 HydrophobicContact CG1-CD1 3.72Å; V84-F123 HydrophobicContact CG1-CE1 3.75Å; V84-F123 HydrophobicContact CG1-CG 4.32Å; V84-F123 HydrophobicContact CG1-CZ 4.38Å; V84-F123 HydrophobicContact CG2-CB 3.9Å; V84-F123 HydrophobicContact CG2-CD1 3.83Å; V84-F123 HydrophobicContact CG2-CD2 3.73Å; V84-F123 HydrophobicContact CG2-CE1 4.26Å; V84-F123 HydrophobicContact CG2-CE2 4.18Å; V84-F123 HydrophobicContact CG2-CG 3.54Å; V84-F123 HydrophobicContact CG2-CZ 4.43Å; V84-A203 HydrophobicContact CG2-CB 3.64Å; V84-Y205 HydrophobicContact CG2-CE2 3.73Å |
| 85 | F | 69.5 | Low | 77.4 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 16.3 | -176.4 | -53.4 | -71.1 | 0 | 0 | 0 | 114 | V83 L720 | V83-F85 PolarHBondContact O-N 2.69Å; F85-L720 HydrophobicContact CE1-CD1 4.3Å; F85-L720 HydrophobicContact CE1-CD2 4.31Å; F85-L720 HydrophobicContact CE1-CG 4.27Å; F85-L720 HydrophobicContact CZ-CD1 4.27Å |
| 86 | A | 65.1 | Low | 77.6 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -68.6 | 151.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V83 | V83-A86 HydrophobicContact CB-CB 4.07Å; V83-A86 HydrophobicContact CG1-CB 4.44Å; V83-A86 PolarHBondContact O-N 2.77Å |
| 87 | S | 56.4 | Low | 77.6 | Confident | 72 Ų | 72 | 60 Ų | 60 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | trans | -61.1 | 148.7 | 164.7 | 54 | 0 | 0 | 0 | 0 | 109.7 | E89 | S87-E89 PolarHBondContact O-N 3.28Š| ||
| 88 | K | 55.4 | Low | 77.5 | Confident | 192 Ų | 192 | 61.7 Ų | 61.7 | 84% | 0.835 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -4 | -173.7 | -87.1 | -170.1 | 167.9 | -172.1 | 0 | 115.2 | ||
| 89 | E | 50.3 | Low | 77.4 | Confident | 180 Ų | 180 | 62.1 Ų | 62.1 | 84% | 0.841 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -19.8 | -162.1 | -64.8 | 177.5 | 120.1 | 0 | 0 | 114.4 | S87 | S87-E89 PolarHBondContact O-N 3.28Š|
| 90 | E | 53.8 | Low | 77.2 | Confident | 168 Ų | 168 | 63.2 Ų | 63.2 | 79% | 0.785 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -96.8 | -13.9 | -170.3 | -65.5 | -162.4 | 131.3 | 0 | 0 | 116.3 | ||
| 91 | I | 57.6 | Low | 76.8 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | trans | -133.4 | 81.9 | -178.6 | -46.7 | 178.8 | 0 | 0 | 0 | 111.5 | R201 | I91-R201 PolarHBondContact O-NH2 2.82Š| ||
| 92 | S | 66.1 | Low | 76.3 | Confident | 73 Ų | 73 | 64 Ų | 64 | 51% | 0.51 | 34% | 0.337 | S | S | . | . | trans | -77.8 | 124.6 | 164.3 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | L129 | S92-L129 WeakPolarHBondContact OG-CD2 3.45Š| ||
| 93 | G | 82.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | 139.7 | 160.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E74 R201 | E74-G93 VanDerWaalsContact O-CA 3.24Å; E74-G93 WeakPolarHBondContact O-CA 3.44Å; G93-R201 PolarHBondContact O-NE 2.89Å; G93-R201 VanDerWaalsContact O-NE 3.1Å | ||
| 94 | A | 91.5 | Very high | 76.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -163.6 | 147.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108 | E74 Y75 K79 C96 G127 C199 R201 | E74-A94 PolarHBondContact O-N 2.72Å; E74-A94 VanDerWaalsContact O-N 3.16Å; Y75-A94 VanDerWaalsContact CA-O 3.31Å; Y75-A94 WeakPolarHBondContact CA-O 3.36Å; K79-A94 WeakPolarHBondContact O-CA 3.06Å; A94-C96 PolarHBondContact O-N 2.97Å; A94-C96 PolarHBondContact O-SG 3.47Å; A94-G127 WeakPolarHBondContact CB-O 3.41Å; A94-C199 HydrophobicContact CB-CB 4.07Å; A94-R201 HydrophobicContact CB-CG 3.53Å | ||
| 95 | W | 94 | Very high | 76.7 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 131.5 | 174.1 | 169.1 | 67 | 0 | 0 | 0 | 110.3 | A65 S67 A80 P97 W108 L109 P188 C199 L200 | A65-W95 HydrophobicContact CB-CZ2 4.01Å; A65-W95 VanDerWaalsContact CB-NE1 3.33Å; S67-W95 PolarHBondContact O-NE1 3Å; A80-W95 HydrophobicContact CB-CB 3.88Å; W95-P97 HydrophobicContact CH2-CG 3.69Å; W95-P97 HydrophobicContact CZ2-CB 4.32Å; W95-P97 HydrophobicContact CZ2-CG 3.69Å; W95-P97 HydrophobicContact CZ3-CG 4.2Å; W95-W108 VanDerWaalsContact CH2-C 3.43Å; W95-W108 WeakPolarHBondContact CZ2-O 3.34Å; W95-L109 HydrophobicContact CB-CD1 4.38Å; W95-L109 HydrophobicContact CD2-CB 3.97Å; W95-L109 HydrophobicContact CD2-CD1 4.15Å; W95-L109 HydrophobicContact CD2-CD2 4.47Å; W95-L109 HydrophobicContact CD2-CG 4.43Å; W95-L109 HydrophobicContact CE3-CB 3.6Å; W95-L109 HydrophobicContact CE3-CD1 4.46Å; W95-L109 HydrophobicContact CE3-CD2 4.04Å; W95-L109 HydrophobicContact CE3-CG 4.25Å; W95-L109 HydrophobicContact CG-CD1 4.12Å; W95-L109 HydrophobicContact CH2-CB 3.86Å; W95-L109 HydrophobicContact CZ2-CB 4.24Å; W95-L109 HydrophobicContact CZ3-CB 3.55Å; W95-P188 HydrophobicContact CH2-CG 3.82Å; W95-P188 HydrophobicContact CZ3-CG 3.64Å; W95-C199 CarbonylContact O-C 3.55Å; W95-C199 VanDerWaalsContact O-CA 3.29Å; W95-C199 WeakPolarHBondContact O-CA 3.22Å; W95-L200 HydrophobicContact CE3-CB 4.13Å; W95-L200 HydrophobicContact CE3-CD2 4.24Å; W95-L200 HydrophobicContact CZ3-CD2 4.23Å; W95-L200 PolarHBondContact N-O 2.94Å; W95-L200 PolarHBondContact O-N 2.86Å |
| 96 | C | 94.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -131.1 | 126.5 | 174.2 | -41.6 | 0 | 0 | 0 | 0 | 109.1 | Y69 Y75 A94 L197 M198 C199 | Y69-C96 PolarHBondContact N-O 2.87Å; Y75-C96 HydrophobicContact CD1-CB 4.21Å; Y75-C96 WeakPolarHBondContact CD1-SG 3.22Å; Y75-C96 HydrophobicContact CG-CB 4.31Å; A94-C96 PolarHBondContact O-N 2.97Å; A94-C96 PolarHBondContact O-SG 3.47Å; C96-L197 HydrophobicContact CB-CD1 4.18Å; C96-M198 WeakPolarHBondContact CA-O 3.18Å; C96-M198 WeakPolarHBondContact CB-O 3.18Å; C96-C199 HydrophobicContact CB-CB 4.16Å; C96-C199 WeakPolarHBondContact CB-SG 3.36Å; C96-C199 WeakPolarHBondContact SG-CB 3.49Å; C96-C199 CovalentContact SG-SG 2.04Å; C96-C199 PolarHBondContact SG-SG 2.71Å | ||
| 97 | P | 93.8 | Very high | 79.1 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | trans | -60.1 | 154 | 174.9 | -22 | 32.2 | 0 | 0 | 0 | 113 | Y69 W95 I101 E107 M198 | Y69-P97 WeakPolarHBondContact CB-O 3.14Å; W95-P97 HydrophobicContact CH2-CG 3.69Å; W95-P97 HydrophobicContact CZ2-CB 4.32Å; W95-P97 HydrophobicContact CZ2-CG 3.69Å; W95-P97 HydrophobicContact CZ3-CG 4.2Å; P97-I101 HydrophobicContact CB-CD1 4.04Å; P97-I101 HydrophobicContact CB-CG1 4.46Å; P97-I101 HydrophobicContact CG-CD1 3.95Å; P97-I101 HydrophobicContact CG-CG1 4.1Å; P97-E107 HydrophobicContact CB-CB 4.2Å; P97-E107 HydrophobicContact CB-CG 4.04Å; P97-E107 HydrophobicContact CG-CB 4.37Å; P97-M198 VanDerWaalsContact CD-O 3.27Å; P97-M198 WeakPolarHBondContact CD-O 3.09Å | ||
| 98 | A | 91.7 | Very high | 81 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -72.2 | -39.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S67 | S67-A98 WeakPolarHBondContact OG-CB 3.44Å; S67-A98 PolarHBondContact OG-N 2.87Å |
| 99 | K | 88.8 | Confident | 82.9 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -77.8 | 135.6 | 175.2 | -172.4 | 173.3 | 172.9 | 177.8 | 0 | 110.3 | I101 E104 D106 E107 | K99-I101 PolarHBondContact O-N 2.78Å; K99-E104 WeakPolarHBondContact CE-OE2 3.26Å; K99-E104 IonicContact NZ-OE2 2.85Å; K99-E104 PolarHBondContact NZ-OE2 3.42Å; K99-D106 IonicContact NZ-OD2 2.87Å; K99-D106 PolarHBondContact NZ-OD2 2.92Å; K99-E107 HydrophobicContact CB-CG 4.1Å; K99-E107 WeakPolarHBondContact CB-OE1 3.42Å |
| 100 | L | 86.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 45% | 0.445 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 125.3 | 170.6 | -59.1 | 177.4 | 0 | 0 | 0 | 108.8 | P195 L197 | L100-P195 HydrophobicContact CB-CB 3.89Å; L100-L197 HydrophobicContact CD2-CB 3.87Å |
| 101 | I | 83.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -80.8 | 134.8 | -169.9 | -58 | -61.1 | 0 | 0 | 0 | 110.7 | P97 K99 E107 P188 P195 K196 M198 | P97-I101 HydrophobicContact CB-CD1 4.04Å; P97-I101 HydrophobicContact CB-CG1 4.46Å; P97-I101 HydrophobicContact CG-CD1 3.95Å; P97-I101 HydrophobicContact CG-CG1 4.1Å; K99-I101 PolarHBondContact O-N 2.78Å; I101-E107 HydrophobicContact CD1-CB 3.7Å; I101-E107 HydrophobicContact CD1-CG 3.67Å; I101-P188 HydrophobicContact CG1-CB 4.27Å; I101-P188 HydrophobicContact CG2-CB 4.22Å; I101-P195 WeakPolarHBondContact O-CA 3.47Å; I101-K196 PolarHBondContact N-O 3.29Å; I101-K196 PolarHBondContact O-N 2.94Å; I101-M198 HydrophobicContact CB-CE 3.63Å; I101-M198 HydrophobicContact CB-CG 4.29Å; I101-M198 HydrophobicContact CB-SD 3.71Å; I101-M198 HydrophobicContact CG1-SD 4.2Å; I101-M198 HydrophobicContact CG2-CE 3.67Å; I101-M198 HydrophobicContact CG2-SD 3.74Å |
| 102 | H | 79.2 | Confident | 89 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 27% | 0.269 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -127.7 | -129.6 | 172.2 | -177.1 | -130.2 | 0 | 0 | 0 | 108.7 | T190 E192 P195 | H102-T190 PolarHBondContact O-N 3.48Å; H102-E192 PolarHBondContact CD2-O 3.4Å; H102-P195 HydrophobicContact CB-CB 4.41Å |
| 103 | K | 82.6 | Confident | 90.4 | Very high | 97 Ų | 97 | 37.9 Ų | 37.9 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -94.8 | 1 | -179.3 | -65.7 | 172.2 | -173.9 | 178.7 | 0 | 113.9 | Y189 T190 M191 | K103-Y189 HydrophobicContact CB-CE2 3.99Å; K103-Y189 HydrophobicContact CG-CE2 4.21Å; K103-T190 WeakPolarHBondContact CG-O 3.27Å; K103-M191 VanDerWaalsContact CE-O 3.3Å; K103-M191 WeakPolarHBondContact CE-O 3.32Å; K103-M191 PolarHBondContact NZ-O 2.79Å |
| 104 | E | 80.4 | Confident | 90.8 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | trans | -84 | 141.3 | -179.4 | -68.4 | 157.8 | -162.5 | 0 | 0 | 110.5 | K99 | K99-E104 WeakPolarHBondContact CE-OE2 3.26Å; K99-E104 IonicContact NZ-OE2 2.85Å; K99-E104 PolarHBondContact NZ-OE2 3.42Å | ||
| 105 | L | 87.3 | Confident | 90.9 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | trans | -111 | 35.2 | -170.6 | -67.5 | 172.9 | 0 | 0 | 0 | 112.3 | I139 L187 Y189 | L105-I139 HydrophobicContact CD1-CD1 3.85Å; L105-I139 HydrophobicContact CD2-CD1 4.07Å; L105-L187 HydrophobicContact CB-CD2 4.2Å; L105-L187 HydrophobicContact CD2-CB 4.31Å; L105-Y189 HydrophobicContact CD2-CD2 3.88Å | ||
| 106 | D | 90.2 | Very high | 91 | Very high | 94 Ų | 94 | 42.4 Ų | 42.4 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | trans | -82.8 | -34.5 | -175.8 | -44.9 | -33.2 | 0 | 0 | 0 | 112.1 | K99 W108 | K99-D106 IonicContact NZ-OD2 2.87Å; K99-D106 PolarHBondContact NZ-OD2 2.92Å; D106-W108 VanDerWaalsContact O-CD1 3.29Å | ||
| 107 | E | 94.9 | Very high | 91 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | trans | -88.2 | 137.4 | -173.7 | -63.6 | -72.7 | 175.3 | 0 | 0 | 111.3 | S66 S67 P97 K99 I101 P188 | S66-E107 VanDerWaalsContact CB-OE2 3.29Å; S66-E107 WeakPolarHBondContact CB-OE2 3.34Å; S66-E107 VanDerWaalsContact OG-CA 3.32Å; S66-E107 WeakPolarHBondContact OG-CA 3.36Å; S66-E107 PolarHBondContact OG-OE2 2.98Å; S67-E107 WeakPolarHBondContact CB-OE2 3.44Å; S67-E107 PolarHBondContact OG-OE1 2.83Å; S67-E107 VanDerWaalsContact OG-OE1 3.14Å; S67-E107 PolarHBondContact OG-OE2 3.28Å; P97-E107 HydrophobicContact CB-CB 4.2Å; P97-E107 HydrophobicContact CB-CG 4.04Å; P97-E107 HydrophobicContact CG-CB 4.37Å; K99-E107 HydrophobicContact CB-CG 4.1Å; K99-E107 WeakPolarHBondContact CB-OE1 3.42Å; I101-E107 HydrophobicContact CD1-CB 3.7Å; I101-E107 HydrophobicContact CD1-CG 3.67Å; E107-P188 WeakPolarHBondContact O-CD 3.33Å | ||
| 108 | W | 95.8 | Very high | 91.1 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | trans | -149.6 | 146.9 | -177.4 | 51.3 | -94.6 | 0 | 0 | 0 | 112.9 | A65 S66 W95 D106 Q110 R185 I186 L187 | A65-W108 VanDerWaalsContact CA-CZ3 3.47Å; A65-W108 WeakPolarHBondContact CA-O 3.29Å; A65-W108 WeakPolarHBondContact CB-O 3.25Å; S66-W108 PolarHBondContact N-O 2.91Å; S66-W108 PolarHBondContact OG-N 3.01Å; S66-W108 PolarHBondContact OG-O 2.88Å; W95-W108 VanDerWaalsContact CH2-C 3.43Å; W95-W108 WeakPolarHBondContact CZ2-O 3.34Å; D106-W108 VanDerWaalsContact O-CD1 3.29Å; W108-Q110 HydrophobicContact CE3-CB 3.52Å; W108-Q110 HydrophobicContact CZ3-CB 3.42Å; W108-Q110 VanDerWaalsContact CZ3-CB 3.42Å; W108-Q110 HydrophobicContact CZ3-CG 4.49Å; W108-R185 HydrophobicContact CB-CG 4.49Å; W108-R185 HydrophobicContact CE3-CG 4.39Å; W108-I186 VanDerWaalsContact CA-O 3.28Å; W108-I186 WeakPolarHBondContact CA-O 3.46Å; W108-L187 HydrophobicContact CB-CG 4.27Å | ||
| 109 | L | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.4 | 162.5 | 175.7 | 67.1 | 0 | 0 | 0 | 108.2 | P77 A80 W95 R185 I186 L200 L202 | P77-L109 HydrophobicContact CB-CD1 3.81Å; A80-L109 HydrophobicContact CB-CD1 4.43Å; A80-L109 HydrophobicContact CB-CD2 3.53Å; W95-L109 HydrophobicContact CB-CD1 4.38Å; W95-L109 HydrophobicContact CD2-CB 3.97Å; W95-L109 HydrophobicContact CD2-CD1 4.15Å; W95-L109 HydrophobicContact CD2-CD2 4.47Å; W95-L109 HydrophobicContact CD2-CG 4.43Å; W95-L109 HydrophobicContact CE3-CB 3.6Å; W95-L109 HydrophobicContact CE3-CD1 4.46Å; W95-L109 HydrophobicContact CE3-CD2 4.04Å; W95-L109 HydrophobicContact CE3-CG 4.25Å; W95-L109 HydrophobicContact CG-CD1 4.12Å; W95-L109 HydrophobicContact CH2-CB 3.86Å; W95-L109 HydrophobicContact CZ2-CB 4.24Å; W95-L109 HydrophobicContact CZ3-CB 3.55Å; L109-R185 CarbonylContact O-C 3.57Å; L109-R185 VanDerWaalsContact O-CA 3.26Å; L109-R185 WeakPolarHBondContact O-CA 3.43Å; L109-I186 PolarHBondContact N-O 2.9Å; L109-I186 PolarHBondContact O-N 3.34Å; L109-L200 HydrophobicContact CD2-CD2 4.33Å; L109-L202 HydrophobicContact CD2-CD1 3.82Å |
| 110 | Q | 96.6 | Very high | 91.5 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.7 | 178.3 | -178.2 | 179.5 | -85.5 | 0 | 0 | 111 | F63 S64 W108 W150 L184 R185 | F63-Q110 WeakPolarHBondContact CA-O 3.3Å; S64-Q110 PolarHBondContact N-O 2.91Å; S64-Q110 PolarHBondContact O-N 3.03Å; S64-Q110 VanDerWaalsContact O-O 3.1Å; S64-Q110 PolarHBondContact OG-NE2 2.91Å; W108-Q110 HydrophobicContact CE3-CB 3.52Å; W108-Q110 HydrophobicContact CZ3-CB 3.42Å; W108-Q110 VanDerWaalsContact CZ3-CB 3.42Å; W108-Q110 HydrophobicContact CZ3-CG 4.49Å; Q110-W150 HydrophobicContact CG-CH2 4.45Å; Q110-L184 CarbonylContact C-O 3.56Å; Q110-L184 WeakPolarHBondContact CA-O 3.45Å; Q110-R185 HydrophobicContact CB-CG 3.83Å; Q110-R185 HydrophobicContact CG-CG 4Å; Q110-R185 VanDerWaalsContact OE1-CZ 3.28Å |
| 111 | I | 96.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.8 | 177.4 | -58.3 | 173 | 0 | 0 | 0 | 107.1 | L58 A62 F63 F113 R183 L184 L202 I204 | L58-I111 HydrophobicContact CD1-CG2 3.63Å; A62-I111 WeakPolarHBondContact O-CA 3.41Å; F63-I111 HydrophobicContact CD1-CD1 4.21Å; F63-I111 HydrophobicContact CD1-CG1 3.8Å; F63-I111 HydrophobicContact CE1-CD1 3.71Å; F63-I111 HydrophobicContact CE1-CG1 3.76Å; I111-F113 HydrophobicContact CB-CZ 4.35Å; I111-F113 HydrophobicContact CG2-CD1 4.22Å; I111-F113 HydrophobicContact CG2-CE1 3.7Å; I111-F113 HydrophobicContact CG2-CE2 4.37Å; I111-F113 HydrophobicContact CG2-CZ 3.77Å; I111-R183 WeakPolarHBondContact O-CA 3.3Å; I111-L184 HydrophobicContact CD1-CD2 4.35Å; I111-L184 PolarHBondContact N-O 2.75Å; I111-L184 PolarHBondContact O-N 3.24Å; I111-L202 HydrophobicContact CD1-CD1 4.28Å; I111-I204 HydrophobicContact CD1-CD1 3.5Å; I111-I204 VanDerWaalsContact CD1-CD1 3.5Å |
| 112 | D | 96 | Very high | 92.4 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.7 | 173.3 | -165.8 | -30 | 0 | 0 | 0 | 109.6 | A62 G114 R183 | A62-D112 VanDerWaalsContact CB-O 3.29Å; A62-D112 WeakPolarHBondContact CB-O 3.23Å; A62-D112 PolarHBondContact O-N 2.86Å; D112-G114 PolarHBondContact OD1-N 2.9Å; D112-R183 HydrophobicContact CB-CG 4.18Å; D112-R183 IonicContact OD2-CZ 2.64Å; D112-R183 IonicContact OD2-NE 2.76Å; D112-R183 PolarHBondContact OD2-NE 3.24Å; D112-R183 IonicContact OD2-NH2 3.19Å; D112-R183 PolarHBondContact OD2-NH2 3.16Å |
| 113 | F | 95.2 | Very high | 93 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.066 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -2.6 | -177.4 | -57 | -78 | 0 | 0 | 0 | 113.2 | L56 L58 I111 A115 K117 I119 K182 L184 I204 | L56-F113 HydrophobicContact CD1-CD1 4.08Å; L56-F113 HydrophobicContact CD1-CE1 3.84Å; L58-F113 HydrophobicContact CD1-CD1 4.33Å; L58-F113 HydrophobicContact CD1-CE1 4.06Å; L58-F113 HydrophobicContact CD2-CD1 3.85Å; L58-F113 HydrophobicContact CD2-CE1 4.41Å; I111-F113 HydrophobicContact CB-CZ 4.35Å; I111-F113 HydrophobicContact CG2-CD1 4.22Å; I111-F113 HydrophobicContact CG2-CE1 3.7Å; I111-F113 HydrophobicContact CG2-CE2 4.37Å; I111-F113 HydrophobicContact CG2-CZ 3.77Å; F113-A115 WeakPolarHBondContact CB-O 3.5Å; F113-A115 PolarHBondContact O-N 3.11Å; F113-K117 HydrophobicContact CB-CD 4.38Å; F113-K117 HydrophobicContact CB-CG 3.51Å; F113-K117 HydrophobicContact CD1-CG 3.86Å; F113-K117 HydrophobicContact CD2-CG 4.34Å; F113-K117 HydrophobicContact CG-CB 4.43Å; F113-K117 HydrophobicContact CG-CG 3.66Å; F113-I119 HydrophobicContact CD2-CD1 4.43Å; F113-I119 HydrophobicContact CE1-CD1 4.36Å; F113-I119 HydrophobicContact CE2-CD1 3.52Å; F113-I119 HydrophobicContact CZ-CD1 3.49Å; F113-I119 VanDerWaalsContact CZ-CD1 3.49Å; F113-I119 HydrophobicContact CZ-CG1 4.49Å; F113-K182 WeakPolarHBondContact CD2-O 3.44Å; F113-K182 PolarHBondContact N-O 3.19Å; F113-L184 HydrophobicContact CE2-CB 3.73Å; F113-L184 HydrophobicContact CZ-CB 4.18Å; F113-I204 HydrophobicContact CE1-CD1 4.3Å; F113-I204 HydrophobicContact CE1-CG2 4.45Å; F113-I204 HydrophobicContact CZ-CD1 4.06Å |
| 114 | G | 92.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 29.2 Ų | 29.2 | 55% | 0.546 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.8 | -35.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D112 K182 | D112-G114 PolarHBondContact OD1-N 2.9Å; G114-K182 VanDerWaalsContact O-CE 3.25Å; G114-K182 WeakPolarHBondContact O-CE 3.47Å |
| 115 | A | 92.7 | Very high | 94 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 31% | 0.314 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 166.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | F113 K117 | F113-A115 WeakPolarHBondContact CB-O 3.5Å; F113-A115 PolarHBondContact O-N 3.11Å; A115-K117 PolarHBondContact O-N 2.95Å |
| 116 | L | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 130.1 | 179.8 | -66.7 | 173.4 | 0 | 0 | 0 | 112 | R144 I180 A181 K182 F209 V214 D322 | L116-R144 HydrophobicContact CD2-CB 4.03Å; L116-R144 HydrophobicContact CD2-CG 4.1Å; L116-I180 HydrophobicContact CD2-CG2 4.31Å; L116-A181 WeakPolarHBondContact CA-O 3.37Å; L116-K182 HydrophobicContact CD2-CB 4.15Å; L116-F209 HydrophobicContact CB-CB 4.02Å; L116-F209 HydrophobicContact CB-CD1 4.18Å; L116-F209 HydrophobicContact CD1-CD1 4.06Å; L116-F209 PolarHBondContact O-N 2.77Å; L116-V214 HydrophobicContact CD1-CG1 3.94Å; L116-D322 HydrophobicContact CD1-CB 4.01Å |
| 117 | K | 95.4 | Very high | 93 | Very high | 38 Ų | 38 | 18.4 Ų | 18.4 | 17% | 0.165 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.3 | 172.5 | -51.5 | -61 | 175.4 | -176 | 0 | 110.1 | L56 F113 A115 I119 I180 A181 S207 | L56-K117 HydrophobicContact CD1-CB 4.14Å; L56-K117 HydrophobicContact CD1-CG 4.18Å; F113-K117 HydrophobicContact CB-CD 4.38Å; F113-K117 HydrophobicContact CB-CG 3.51Å; F113-K117 HydrophobicContact CD1-CG 3.86Å; F113-K117 HydrophobicContact CD2-CG 4.34Å; F113-K117 HydrophobicContact CG-CB 4.43Å; F113-K117 HydrophobicContact CG-CG 3.66Å; A115-K117 PolarHBondContact O-N 2.95Å; K117-I119 HydrophobicContact CB-CG1 4.21Å; K117-I180 WeakPolarHBondContact O-CA 3.3Å; K117-A181 PolarHBondContact N-O 3.4Å; K117-A181 PolarHBondContact O-N 3.26Å; K117-A181 VanDerWaalsContact O-N 3.11Å; K117-S207 WeakPolarHBondContact CA-O 3.25Å |
| 118 | L | 95.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.7 | 167.2 | -178.8 | 74.4 | 0 | 0 | 0 | 107.9 | P178 I180 G206 S207 F209 K279 | L118-P178 HydrophobicContact CD1-CB 3.76Å; L118-P178 HydrophobicContact CG-CB 4.31Å; L118-I180 HydrophobicContact CD1-CD1 4.41Å; L118-I180 HydrophobicContact CD1-CG1 3.77Å; L118-G206 CarbonylContact O-C 3.59Å; L118-G206 WeakPolarHBondContact O-CA 3.31Å; L118-S207 PolarHBondContact N-O 3.37Å; L118-S207 PolarHBondContact O-N 2.97Å; L118-F209 HydrophobicContact CB-CB 4.46Å; L118-F209 HydrophobicContact CB-CD2 4.36Å; L118-F209 HydrophobicContact CD1-CD2 4.48Å; L118-K279 HydrophobicContact CD1-CG 4.22Å; L118-K279 HydrophobicContact CD2-CB 4.02Å; L118-K279 HydrophobicContact CD2-CG 3.68Å |
| 119 | I | 95.4 | Very high | 90.5 | 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 | -110.7 | 121.3 | -173 | -51.2 | 170.8 | 0 | 0 | 0 | 108.8 | L56 F113 K117 L122 L175 P178 I179 A181 L184 I204 | L56-I119 HydrophobicContact CD1-CG1 4.5Å; F113-I119 HydrophobicContact CD2-CD1 4.43Å; F113-I119 HydrophobicContact CE1-CD1 4.36Å; F113-I119 HydrophobicContact CE2-CD1 3.52Å; F113-I119 HydrophobicContact CZ-CD1 3.49Å; F113-I119 VanDerWaalsContact CZ-CD1 3.49Å; F113-I119 HydrophobicContact CZ-CG1 4.49Å; K117-I119 HydrophobicContact CB-CG1 4.21Å; I119-L122 HydrophobicContact CG2-CD2 3.98Å; I119-L175 HydrophobicContact CB-CD1 4.46Å; I119-L175 HydrophobicContact CG2-CD1 3.9Å; I119-P178 CarbonylContact O-C 3.56Å; I119-P178 WeakPolarHBondContact O-CA 3.34Å; I119-P178 WeakPolarHBondContact O-CB 3Å; I119-I179 HydrophobicContact CB-CB 4.42Å; I119-I179 PolarHBondContact N-O 2.75Å; I119-I179 PolarHBondContact O-N 3.03Å; I119-A181 HydrophobicContact CD1-CB 4.44Å; I119-L184 HydrophobicContact CD1-CD1 3.89Å; I119-I204 HydrophobicContact CG1-CG2 4.4Å; I119-I204 HydrophobicContact CG2-CG2 3.48Å; I119-I204 VanDerWaalsContact CG2-CG2 3.48Å |
| 120 | K | 93.5 | Very high | 89.5 | Confident | 36 Ų | 36 | 22.5 Ų | 22.5 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | -24.7 | -170 | -174.5 | 163 | 168 | -173.3 | 0 | 114.2 | S48 L53 L175 P178 Y205 | S48-K120 PolarHBondContact OG-NZ 2.89Å; L53-K120 HydrophobicContact CD1-CB 4.32Å; L53-K120 HydrophobicContact CD1-CD 3.79Å; L53-K120 HydrophobicContact CD1-CG 4.15Å; L53-K120 HydrophobicContact CD2-CB 4.11Å; L53-K120 HydrophobicContact CD2-CD 4.11Å; K120-L175 PolarHBondContact O-N 2.87Å; K120-P178 HydrophobicContact CB-CB 4.35Å; K120-P178 HydrophobicContact CB-CG 4.41Å; K120-P178 HydrophobicContact CD-CG 4.06Å; K120-P178 HydrophobicContact CG-CG 4.12Å; K120-Y205 PolarHBondContact N-O 2.8Å; K120-Y205 VanDerWaalsContact N-O 3.09Å |
| 121 | V | 93.7 | Very high | 88.5 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.6 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | F123 V172 I173 Y205 | V121-F123 HydrophobicContact CG1-CD2 4.12Å; V121-F123 HydrophobicContact CG1-CE2 3.69Å; V121-F123 HydrophobicContact CG1-CZ 4.22Å; V121-V172 HydrophobicContact CG1-CG1 3.56Å; V121-I173 WeakPolarHBondContact CA-O 3.46Å; V121-Y205 PolarHBondContact N-O 3.21Å; V121-Y205 PolarHBondContact O-N 2.85Å |
| 122 | L | 94.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.6 | 168.2 | -54.5 | 174.6 | 0 | 0 | 0 | 108.7 | I119 F138 I140 I173 L175 I204 | I119-L122 HydrophobicContact CG2-CD2 3.98Å; L122-F138 HydrophobicContact CD1-CE2 4.27Å; L122-F138 HydrophobicContact CD1-CZ 4.2Å; L122-I140 HydrophobicContact CD1-CD1 3.68Å; L122-I173 HydrophobicContact CB-CB 4.35Å; L122-I173 PolarHBondContact N-O 2.81Å; L122-I173 PolarHBondContact O-N 2.79Å; L122-L175 HydrophobicContact CD1-CD1 4.28Å; L122-L175 HydrophobicContact CD1-CD2 4.28Å; L122-L175 HydrophobicContact CG-CD1 4.1Å; L122-L175 HydrophobicContact CG-CG 4.46Å; L122-I204 HydrophobicContact CD2-CB 4.24Å; L122-I204 HydrophobicContact CD2-CD1 4.12Å; L122-I204 HydrophobicContact CD2-CG1 3.81Å; L122-I204 HydrophobicContact CD2-CG2 3.93Å |
| 123 | F | 92.9 | Very high | 87.4 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.9 | 163.5 | -62.4 | -105.3 | 0 | 0 | 0 | 107.6 | F82 V84 V121 T170 I171 V172 L202 A203 Y205 F717 L720 | F82-F123 HydrophobicContact CZ-CB 3.93Å; V84-F123 HydrophobicContact CB-CD1 4.48Å; V84-F123 HydrophobicContact CG1-CD1 3.72Å; V84-F123 HydrophobicContact CG1-CE1 3.75Å; V84-F123 HydrophobicContact CG1-CG 4.32Å; V84-F123 HydrophobicContact CG1-CZ 4.38Å; V84-F123 HydrophobicContact CG2-CB 3.9Å; V84-F123 HydrophobicContact CG2-CD1 3.83Å; V84-F123 HydrophobicContact CG2-CD2 3.73Å; V84-F123 HydrophobicContact CG2-CE1 4.26Å; V84-F123 HydrophobicContact CG2-CE2 4.18Å; V84-F123 HydrophobicContact CG2-CG 3.54Å; V84-F123 HydrophobicContact CG2-CZ 4.43Å; V121-F123 HydrophobicContact CG1-CD2 4.12Å; V121-F123 HydrophobicContact CG1-CE2 3.69Å; V121-F123 HydrophobicContact CG1-CZ 4.22Å; F123-T170 HydrophobicContact CB-CG2 4.1Å; F123-T170 HydrophobicContact CD1-CG2 4.12Å; F123-I171 WeakPolarHBondContact CA-O 2.96Å; F123-V172 HydrophobicContact CD1-CB 4.49Å; F123-V172 HydrophobicContact CD1-CG1 4.42Å; F123-V172 HydrophobicContact CD1-CG2 3.8Å; F123-V172 HydrophobicContact CE1-CB 4.41Å; F123-V172 HydrophobicContact CE1-CG1 4.11Å; F123-V172 HydrophobicContact CE1-CG2 3.59Å; F123-V172 HydrophobicContact CZ-CG1 4.27Å; F123-V172 HydrophobicContact CZ-CG2 4.47Å; F123-L202 VanDerWaalsContact O-CA 3.3Å; F123-L202 WeakPolarHBondContact O-CA 3.45Å; F123-A203 HydrophobicContact CB-CB 4.14Å; F123-A203 PolarHBondContact N-O 3.2Å; F123-A203 PolarHBondContact O-N 2.81Å; F123-Y205 AromaticContact CD2-CD2 3.56Å; F123-Y205 HydrophobicContact CD2-CD2 3.56Å; F123-Y205 AromaticContact CD2-CE2 3.62Å; F123-Y205 HydrophobicContact CD2-CE2 3.62Å; F123-Y205 HydrophobicContact CD2-CG 4.44Å; F123-Y205 HydrophobicContact CE2-CD1 4.43Å; F123-Y205 AromaticContact CE2-CD2 3.44Å; F123-Y205 HydrophobicContact CE2-CD2 3.44Å; F123-Y205 VanDerWaalsContact CE2-CD2 3.44Å; F123-Y205 HydrophobicContact CE2-CE1 4.47Å; F123-Y205 AromaticContact CE2-CE2 3.51Å; F123-Y205 HydrophobicContact CE2-CE2 3.51Å; F123-Y205 AromaticContact CE2-CG 3.93Å; F123-Y205 HydrophobicContact CE2-CG 3.93Å; F123-F717 HydrophobicContact CE1-CE1 4.49Å; F123-F717 HydrophobicContact CZ-CE1 4.04Å; F123-F717 HydrophobicContact CZ-CZ 4.5Å; F123-L720 HydrophobicContact CE1-CD1 4.2Å |
| 124 | S | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.6 | 179.8 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | N165 T170 I171 L200 R201 | S124-N165 WeakPolarHBondContact CB-OD1 3.42Å; S124-N165 PolarHBondContact O-ND2 2.89Å; S124-N165 PolarHBondContact OG-OD1 2.94Å; S124-T170 CarbonylContact O-C 3.55Å; S124-T170 WeakPolarHBondContact O-CA 3.45Å; S124-I171 PolarHBondContact N-O 3.33Å; S124-I171 PolarHBondContact O-N 2.87Å; S124-L200 WeakPolarHBondContact OG-CD1 3.5Å; S124-R201 WeakPolarHBondContact CA-O 3.34Å |
| 125 | E | 89.9 | Confident | 87.3 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.8 | 173.3 | -163.5 | -168 | -154.5 | 0 | 0 | 109.3 | F82 R201 | F82-E125 HydrophobicContact CE1-CB 4.14Å; F82-E125 HydrophobicContact CE2-CB 4.42Å; F82-E125 HydrophobicContact CZ-CB 3.96Å; E125-R201 HydrophobicContact CB-CB 4.18Å; E125-R201 PolarHBondContact N-O 2.89Å; E125-R201 PolarHBondContact O-N 3.1Å; E125-R201 WeakPolarHBondContact OE2-CD 3.48Å; E125-R201 IonicContact OE2-CZ 2.82Å; E125-R201 IonicContact OE2-NE 3.16Å; E125-R201 IonicContact OE2-NH1 2.73Å; E125-R201 PolarHBondContact OE2-NH1 3.38Å |
| 126 | G | 84.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -87 | -173.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 127 | G | 72.1 | Confident | 87.2 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | 90 | -121.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A94 N130 A133 C199 | A94-G127 WeakPolarHBondContact CB-O 3.41Å; G127-N130 WeakPolarHBondContact CA-O 3.17Å; G127-A133 PolarHBondContact N-O 2.87Å; G127-C199 WeakPolarHBondContact O-CB 3.31Å | ||
| 128 | G | 69.6 | Low | 87.2 | Confident | 28 Ų | 28 | 31 Ų | 31 | 29% | 0.289 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | -138.2 | -148.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N130 | G128-N130 VanDerWaalsContact C-N 3.31Å; G128-N130 PolarHBondContact O-N 2.91Å |
| 129 | L | 69.2 | Low | 87.2 | Confident | 79 Ų | 79 | 31.8 Ų | 31.8 | 41% | 0.414 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -35.1 | 178.9 | -65.8 | 178.9 | 0 | 0 | 0 | 113.5 | E74 Y75 S92 Q131 | E74-L129 HydrophobicContact CB-CD1 3.86Å; E74-L129 HydrophobicContact CB-CG 4.47Å; E74-L129 HydrophobicContact CG-CD1 3.77Å; Y75-L129 HydrophobicContact CE1-CD1 4.49Å; S92-L129 WeakPolarHBondContact OG-CD2 3.45Å; L129-Q131 PolarHBondContact O-N 3.06Å |
| 130 | N | 76.3 | Confident | 87.3 | Confident | 60 Ų | 60 | 31.8 Ų | 31.8 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | trans | -99.3 | 86.8 | -176.6 | -67.7 | -34.3 | 0 | 0 | 0 | 110.4 | Y75 G127 G128 N132 A133 | Y75-N130 PolarHBondContact OH-ND2 2.87Å; G127-N130 WeakPolarHBondContact CA-O 3.17Å; G128-N130 VanDerWaalsContact C-N 3.31Å; G128-N130 PolarHBondContact O-N 2.91Å; N130-N132 PolarHBondContact O-N 2.93Å; N130-A133 HydrophobicContact CB-CB 3.77Å; N130-A133 WeakPolarHBondContact O-CB 3.15Å; N130-A133 PolarHBondContact O-N 2.84Å | ||
| 131 | Q | 74.4 | Confident | 87.5 | Confident | 144 Ų | 144 | 32.9 Ų | 32.9 | 67% | 0.673 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.2 | -175.9 | -61.6 | -175.6 | 13.1 | 0 | 0 | 115.1 | L129 S168 | L129-Q131 PolarHBondContact O-N 3.06Å; Q131-S168 WeakPolarHBondContact O-CB 3.47Å; Q131-S168 PolarHBondContact O-OG 2.89Å |
| 132 | N | 82.6 | Confident | 87.7 | Confident | 154 Ų | 154 | 32.9 Ų | 32.9 | 82% | 0.824 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.4 | 176.2 | -66.6 | -9.4 | 0 | 0 | 0 | 114 | N130 F134 | N130-N132 PolarHBondContact O-N 2.93Å; N132-F134 WeakPolarHBondContact O-CD1 3.39Å |
| 133 | A | 88.8 | Confident | 87.8 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | trans | -94.9 | 113.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G127 N130 L197 C199 | G127-A133 PolarHBondContact N-O 2.87Å; N130-A133 HydrophobicContact CB-CB 3.77Å; N130-A133 WeakPolarHBondContact O-CB 3.15Å; N130-A133 PolarHBondContact O-N 2.84Å; A133-L197 WeakPolarHBondContact CB-O 3.41Å; A133-C199 HydrophobicContact CB-CB 3.92Å | ||
| 134 | F | 91.3 | Very high | 87.9 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | trans | -145.7 | 154.9 | 178.1 | 60.3 | -90.7 | 0 | 0 | 0 | 110.1 | N132 P136 N165 R166 M198 C199 | N132-F134 WeakPolarHBondContact O-CD1 3.39Å; F134-P136 HydrophobicContact CE2-CB 4.31Å; F134-P136 WeakPolarHBondContact O-CD 3.25Å; F134-N165 HydrophobicContact CB-CB 4.06Å; F134-N165 HydrophobicContact CD2-CB 3.95Å; F134-N165 WeakPolarHBondContact CD2-O 3.33Å; F134-N165 WeakPolarHBondContact CE2-O 3.38Å; F134-N165 HydrophobicContact CG-CB 4.34Å; F134-R166 VanDerWaalsContact CE2-C 3.44Å; F134-R166 VanDerWaalsContact CZ-C 3.44Å; F134-R166 WeakPolarHBondContact CZ-O 3.33Å; F134-M198 WeakPolarHBondContact O-CG 3.47Å; F134-C199 WeakPolarHBondContact CA-O 3.5Å | ||
| 135 | V | 93.3 | Very high | 88 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -87.4 | 117.9 | 173 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | M137 F138 A164 N165 P188 M198 C199 L200 | V135-M137 WeakPolarHBondContact CG1-O 3.28Å; V135-F138 HydrophobicContact CG1-CB 4.19Å; V135-F138 HydrophobicContact CG1-CD1 4.15Å; V135-A164 WeakPolarHBondContact O-CB 3.41Å; V135-N165 PolarHBondContact O-N 2.98Å; V135-N165 VanDerWaalsContact O-N 3.12Å; V135-P188 HydrophobicContact CG1-CB 4.04Å; V135-P188 HydrophobicContact CG2-CB 4.01Å; V135-P188 HydrophobicContact CG2-CG 4.21Å; V135-M198 HydrophobicContact CG2-CB 3.86Å; V135-M198 HydrophobicContact CG2-SD 4.44Å; V135-C199 PolarHBondContact N-O 2.89Å; V135-L200 HydrophobicContact CB-CD1 4.23Å; V135-L200 HydrophobicContact CG2-CB 3.85Å; V135-L200 HydrophobicContact CG2-CD1 4.22Å; V135-L200 HydrophobicContact CG2-CD2 4.41Å; V135-L200 HydrophobicContact CG2-CG 4.38Å | ||
| 136 | P | 92.4 | Very high | 88 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -79.5 | -34.9 | -176.6 | 29.9 | -32.1 | 0 | 0 | 0 | 112.8 | F134 A164 N165 Y189 | F134-P136 HydrophobicContact CE2-CB 4.31Å; F134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-A164 PolarHBondContact O-N 3.01Å; P136-N165 WeakPolarHBondContact CA-O 3.22Å; P136-Y189 WeakPolarHBondContact CG-O 3.49Å |
| 137 | M | 93.5 | Very high | 88.1 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.3 | 175.5 | -66.7 | 156.7 | -75.7 | 0 | 0 | 109.8 | V135 L161 L162 Y189 M191 | V135-M137 WeakPolarHBondContact CG1-O 3.28Å; M137-L161 HydrophobicContact CB-CD1 3.74Å; M137-L161 HydrophobicContact CB-CD2 4.32Å; M137-L161 HydrophobicContact CB-CG 3.92Å; M137-L161 HydrophobicContact CG-CD2 4.4Å; M137-L161 HydrophobicContact CG-CG 4.27Å; M137-L161 HydrophobicContact SD-CD2 3.65Å; M137-L161 HydrophobicContact SD-CG 4.17Å; M137-L162 CarbonylContact C-O 3.55Å; M137-L162 WeakPolarHBondContact CA-O 3.41Å; M137-L162 WeakPolarHBondContact CB-O 3.37Å; M137-Y189 HydrophobicContact CB-CD1 4.5Å; M137-Y189 HydrophobicContact CE-CD1 4.44Å; M137-Y189 PolarHBondContact N-O 3.41Å; M137-Y189 PolarHBondContact O-N 3.34Å; M137-M191 HydrophobicContact CE-CB 4.16Å; M137-M191 HydrophobicContact CE-CG 3.87Å; M137-M191 HydrophobicContact SD-CG 4.28Å |
| 138 | F | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.2 | 171.2 | 58.3 | -110.1 | 0 | 0 | 0 | 113.1 | L122 V135 I140 L162 A164 I173 I186 L187 | L122-F138 HydrophobicContact CD1-CE2 4.27Å; L122-F138 HydrophobicContact CD1-CZ 4.2Å; V135-F138 HydrophobicContact CG1-CB 4.19Å; V135-F138 HydrophobicContact CG1-CD1 4.15Å; F138-I140 HydrophobicContact CD2-CG1 4.06Å; F138-I140 HydrophobicContact CE2-CD1 4.12Å; F138-I140 HydrophobicContact CE2-CG1 3.84Å; F138-L162 HydrophobicContact CD2-CB 4.33Å; F138-L162 HydrophobicContact CD2-CD1 4.46Å; F138-L162 HydrophobicContact CE2-CB 4.28Å; F138-L162 HydrophobicContact CE2-CD1 3.96Å; F138-L162 PolarHBondContact N-O 3.48Å; F138-L162 PolarHBondContact O-N 3.06Å; F138-A164 HydrophobicContact CD1-CB 3.71Å; F138-A164 HydrophobicContact CE1-CB 3.68Å; F138-I173 HydrophobicContact CE1-CD1 3.76Å; F138-I173 HydrophobicContact CE2-CD1 4.36Å; F138-I173 HydrophobicContact CZ-CD1 3.45Å; F138-I173 VanDerWaalsContact CZ-CD1 3.45Å; F138-I186 HydrophobicContact CB-CG2 3.72Å; F138-I186 HydrophobicContact CD1-CG2 3.95Å; F138-I186 HydrophobicContact CD2-CD1 4Å; F138-I186 HydrophobicContact CD2-CG2 3.74Å; F138-I186 HydrophobicContact CE1-CG2 4.42Å; F138-I186 HydrophobicContact CE2-CD1 3.74Å; F138-I186 HydrophobicContact CE2-CG2 4.23Å; F138-I186 HydrophobicContact CG-CG2 3.56Å; F138-I186 HydrophobicContact CZ-CD1 4.39Å; F138-L187 VanDerWaalsContact CA-O 3.22Å; F138-L187 WeakPolarHBondContact CA-O 3.47Å; F138-L187 VanDerWaalsContact CB-O 3.22Å; F138-L187 WeakPolarHBondContact CB-O 3.38Å |
| 139 | I | 96 | Very high | 89.9 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.9 | 169.7 | -61.4 | 176.6 | 0 | 0 | 0 | 108.4 | L105 E152 L161 L187 | L105-I139 HydrophobicContact CD1-CD1 3.85Å; L105-I139 HydrophobicContact CD2-CD1 4.07Å; I139-E152 HydrophobicContact CG2-CG 3.97Å; I139-L161 HydrophobicContact CD1-CD1 4.46Å; I139-L161 HydrophobicContact CG1-CD1 3.83Å; I139-L187 HydrophobicContact CB-CB 4.47Å; I139-L187 PolarHBondContact N-O 3.43Å; I139-L187 WeakPolarHBondContact O-CD1 3.27Å; I139-L187 PolarHBondContact O-N 3.22Å |
| 140 | I | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.2 | 172.1 | -47.5 | -175.4 | 0 | 0 | 0 | 109.6 | L122 F138 Y153 L162 L175 I179 L184 R185 I186 | L122-I140 HydrophobicContact CD1-CD1 3.68Å; F138-I140 HydrophobicContact CD2-CG1 4.06Å; F138-I140 HydrophobicContact CE2-CD1 4.12Å; F138-I140 HydrophobicContact CE2-CG1 3.84Å; I140-Y153 HydrophobicContact CB-CD1 4.48Å; I140-Y153 HydrophobicContact CB-CG 4.47Å; I140-Y153 HydrophobicContact CD1-CD1 4.19Å; I140-Y153 HydrophobicContact CG1-CD1 4.46Å; I140-Y153 PolarHBondContact O-N 3.3Å; I140-L162 HydrophobicContact CD1-CD1 3.51Å; I140-L162 HydrophobicContact CG1-CD1 3.77Å; I140-L175 HydrophobicContact CD1-CD2 3.95Å; I140-I179 HydrophobicContact CB-CD1 4.48Å; I140-I179 HydrophobicContact CD1-CD1 3.91Å; I140-I179 HydrophobicContact CG2-CD1 3.97Å; I140-L184 HydrophobicContact CG2-CD1 3.64Å; I140-L184 HydrophobicContact CG2-CG 3.81Å; I140-R185 WeakPolarHBondContact CA-O 3.26Å; I140-I186 HydrophobicContact CB-CD1 4.32Å; I140-I186 HydrophobicContact CD1-CD1 4.16Å; I140-I186 HydrophobicContact CG1-CD1 3.69Å; I140-I186 HydrophobicContact CG2-CD1 4.19Å |
| 141 | K | 97.4 | Very high | 92 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146 | 163.3 | -67.6 | 178.9 | -179.9 | 176.4 | 0 | 109.5 | W150 Y151 E152 L184 R185 L187 | K141-W150 HydrophobicContact CB-CE3 4.18Å; K141-Y151 CarbonylContact C-O 3.4Å; K141-Y151 WeakPolarHBondContact CA-O 3.44Å; K141-E152 WeakPolarHBondContact CE-OE2 3.29Å; K141-E152 HydrophobicContact CG-CB 4.4Å; K141-E152 HydrophobicContact CG-CG 4.33Å; K141-E152 IonicContact NZ-OE2 2.7Å; K141-L184 CarbonylContact O-C 3.54Å; K141-R185 HydrophobicContact CB-CB 4.38Å; K141-R185 PolarHBondContact N-O 3.2Å; K141-R185 PolarHBondContact O-N 2.73Å; K141-L187 HydrophobicContact CB-CD1 4.05Å; K141-L187 HydrophobicContact CD-CD1 4Å; K141-L187 HydrophobicContact CD-CD2 4.11Å; K141-L187 HydrophobicContact CG-CD1 3.88Å |
| 142 | Y | 97.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 161.6 | -174.9 | 60.3 | -79.1 | 0 | 0 | 0 | 112.8 | W150 Y151 I179 A181 R183 D240 | Y142-W150 WeakPolarHBondContact O-CA 3.29Å; Y142-Y151 HydrophobicContact CE2-CD2 4.44Å; Y142-Y151 HydrophobicContact CE2-CG 4.09Å; Y142-Y151 VanDerWaalsContact CZ-CB 3.44Å; Y142-Y151 PolarHBondContact N-O 3.05Å; Y142-Y151 PolarHBondContact O-N 3.32Å; Y142-I179 HydrophobicContact CD1-CG2 4.03Å; Y142-I179 HydrophobicContact CD2-CG2 3.65Å; Y142-I179 HydrophobicContact CE1-CG2 4.39Å; Y142-I179 HydrophobicContact CE2-CG2 4.02Å; Y142-I179 HydrophobicContact CG-CG2 3.66Å; Y142-A181 HydrophobicContact CD2-CB 4.29Å; Y142-R183 CarbonylContact C-O 3.53Å; Y142-R183 VanDerWaalsContact CA-O 3.27Å; Y142-R183 WeakPolarHBondContact CA-O 3.29Å; Y142-R183 WeakPolarHBondContact CB-O 3.4Å; Y142-D240 PolarHBondContact OH-OD2 3.25Å; Y142-D240 VanDerWaalsContact OH-OD2 3.05Å |
| 143 | Q | 96.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137 | -174.9 | -165 | -169.9 | 44.3 | 0 | 0 | 109.4 | E145 A148 W150 K182 R183 | Q143-E145 VanDerWaalsContact CG-O 3.22Å; Q143-E145 WeakPolarHBondContact CG-O 3.4Å; Q143-A148 PolarHBondContact NE2-O 2.8Å; Q143-W150 HydrophobicContact CB-CD2 4.09Å; Q143-W150 HydrophobicContact CB-CE3 4Å; Q143-W150 HydrophobicContact CB-CH2 4.16Å; Q143-W150 HydrophobicContact CB-CZ2 4.25Å; Q143-W150 HydrophobicContact CB-CZ3 4.04Å; Q143-K182 PolarHBondContact O-N 2.67Å; Q143-R183 HydrophobicContact CB-CB 4.26Å; Q143-R183 PolarHBondContact N-O 2.93Å; Q143-R183 PolarHBondContact O-N 3.09Å |
| 144 | R | 96 | Very high | 94 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -99.2 | -44.4 | -179.9 | -74.3 | -171.2 | -74.1 | -96.8 | 5.5 | 113.7 | L116 Y151 I180 K182 V214 D240 | L116-R144 HydrophobicContact CD2-CB 4.03Å; L116-R144 HydrophobicContact CD2-CG 4.1Å; R144-Y151 VanDerWaalsContact NH2-CE1 3.27Å; R144-Y151 PolarHBondContact NH2-OH 2.69Å; R144-I180 WeakPolarHBondContact CD-O 3.45Å; R144-I180 WeakPolarHBondContact CG-O 3.47Å; R144-K182 VanDerWaalsContact O-CB 3.25Å; R144-K182 WeakPolarHBondContact O-CB 3.26Å; R144-V214 HydrophobicContact CB-CB 4.42Å; R144-V214 HydrophobicContact CB-CG1 4.28Å; R144-V214 PolarHBondContact NE-O 3.37Å; R144-D240 IonicContact CZ-OD1 3.54Å; R144-D240 IonicContact CZ-OD2 3.44Å; R144-D240 VanDerWaalsContact CZ-OD2 3.32Å; R144-D240 IonicContact NH1-OD1 2.78Å; R144-D240 IonicContact NH1-OD2 2.7Å; R144-D240 PolarHBondContact NH1-OD2 2.96Å; R144-D240 IonicContact NH2-OD1 3.41Å; R144-D240 PolarHBondContact NH2-OD1 3.5Å; R144-D240 IonicContact NH2-OD2 2.7Å; R144-D240 PolarHBondContact NH2-OD2 2.83Å |
| 145 | E | 93.8 | Very high | 94 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 17% | 0.173 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -110.8 | 155.2 | 176.4 | -69 | 174.8 | 105.1 | 0 | 0 | 111.3 | Q143 A148 V214 K320 R391 | Q143-E145 VanDerWaalsContact CG-O 3.22Å; Q143-E145 WeakPolarHBondContact CG-O 3.4Å; E145-A148 HydrophobicContact CB-CB 3.94Å; E145-A148 WeakPolarHBondContact O-CB 3.42Å; E145-A148 PolarHBondContact O-N 3.29Å; E145-V214 HydrophobicContact CG-CB 4.03Å; E145-V214 HydrophobicContact CG-CG1 3.79Å; E145-V214 HydrophobicContact CG-CG2 4.16Å; E145-K320 VanDerWaalsContact OE1-CE 3.28Å; E145-K320 WeakPolarHBondContact OE1-CE 3.5Å; E145-K320 IonicContact OE1-NZ 3.9Å; E145-K320 PolarHBondContact OE1-NZ 3.09Å; E145-K320 IonicContact OE2-NZ 2.71Å; E145-K320 PolarHBondContact OE2-NZ 3.2Å; E145-R391 IonicContact OE1-NH2 2.78Å; E145-R391 PolarHBondContact OE1-NH2 2.83Å |
| 146 | D | 91 | Very high | 93.7 | Very high | 76 Ų | 76 | 43 Ų | 43 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 142.6 | 172.8 | -55.3 | -57.1 | 0 | 0 | 0 | 110.7 | A148 K182 R183 | D146-A148 PolarHBondContact O-N 3.31Å; D146-K182 VanDerWaalsContact CG-NZ 3.3Å; D146-K182 WeakPolarHBondContact OD1-CE 3.46Å; D146-K182 IonicContact OD1-NZ 3.89Å; D146-K182 PolarHBondContact OD1-NZ 2.83Å; D146-K182 VanDerWaalsContact OD1-NZ 3.16Å; D146-K182 IonicContact OD2-NZ 2.76Å; D146-K182 PolarHBondContact OD2-NZ 3.38Å; D146-R183 IonicContact OD1-CZ 2.67Å; D146-R183 IonicContact OD1-NH1 3.17Å; D146-R183 PolarHBondContact OD1-NH1 3.22Å; D146-R183 IonicContact OD1-NH2 2.67Å; D146-R183 PolarHBondContact OD1-NH2 2.87Å |
| 147 | N | 85.6 | Confident | 93.3 | Very high | 166 Ų | 166 | 47.1 Ų | 47.1 | 89% | 0.888 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 6.1 | -176.4 | -54 | -32.7 | 0 | 0 | 0 | 116.3 | ||
| 148 | A | 88.2 | Confident | 93.1 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 167.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q143 E145 D146 | Q143-A148 PolarHBondContact NE2-O 2.8Å; E145-A148 HydrophobicContact CB-CB 3.94Å; E145-A148 WeakPolarHBondContact O-CB 3.42Å; E145-A148 PolarHBondContact O-N 3.29Å; D146-A148 PolarHBondContact O-N 3.31Å |
| 149 | K | 91.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 147.9 | 174.1 | 69.4 | -179.6 | -178.3 | 176.5 | 0 | 111.9 | Y151 G271 | K149-Y151 HydrophobicContact CD-CE1 4.47Å; K149-Y151 WeakPolarHBondContact CE-OH 3.38Å; K149-Y151 HydrophobicContact CG-CD2 4.49Å; K149-Y151 HydrophobicContact CG-CE2 4.03Å; K149-G271 WeakPolarHBondContact CE-O 3.36Å; K149-G271 PolarHBondContact NZ-O 2.88Å |
| 150 | W | 94.8 | Very high | 92.8 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 31% | 0.311 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 127.9 | 167.8 | -72.3 | 83.3 | 0 | 0 | 0 | 109.7 | Q110 K141 Y142 Q143 R183 R185 | Q110-W150 HydrophobicContact CG-CH2 4.45Å; K141-W150 HydrophobicContact CB-CE3 4.18Å; Y142-W150 WeakPolarHBondContact O-CA 3.29Å; Q143-W150 HydrophobicContact CB-CD2 4.09Å; Q143-W150 HydrophobicContact CB-CE3 4Å; Q143-W150 HydrophobicContact CB-CH2 4.16Å; Q143-W150 HydrophobicContact CB-CZ2 4.25Å; Q143-W150 HydrophobicContact CB-CZ3 4.04Å; W150-R183 HydrophobicContact CH2-CB 3.73Å; W150-R183 HydrophobicContact CZ3-CB 4.25Å; W150-R185 HydrophobicContact CE3-CG 4.41Å; W150-R185 HydrophobicContact CH2-CG 3.72Å; W150-R185 HydrophobicContact CZ3-CB 4.08Å; W150-R185 HydrophobicContact CZ3-CG 3.63Å |
| 151 | Y | 96 | Very high | 92.6 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 147.3 | 172.9 | -61.3 | -99.3 | 0 | 0 | 0 | 109.3 | K141 Y142 R144 K149 D240 G271 | K141-Y151 CarbonylContact C-O 3.4Å; K141-Y151 WeakPolarHBondContact CA-O 3.44Å; Y142-Y151 HydrophobicContact CE2-CD2 4.44Å; Y142-Y151 HydrophobicContact CE2-CG 4.09Å; Y142-Y151 VanDerWaalsContact CZ-CB 3.44Å; Y142-Y151 PolarHBondContact N-O 3.05Å; Y142-Y151 PolarHBondContact O-N 3.32Å; R144-Y151 VanDerWaalsContact NH2-CE1 3.27Å; R144-Y151 PolarHBondContact NH2-OH 2.69Å; K149-Y151 HydrophobicContact CD-CE1 4.47Å; K149-Y151 WeakPolarHBondContact CE-OH 3.38Å; K149-Y151 HydrophobicContact CG-CD2 4.49Å; K149-Y151 HydrophobicContact CG-CE2 4.03Å; Y151-D240 HydrophobicContact CD1-CB 3.86Å; Y151-D240 VanDerWaalsContact CD1-CG 3.42Å; Y151-D240 WeakPolarHBondContact CD1-O 3.37Å; Y151-D240 WeakPolarHBondContact CD1-OD1 2.99Å; Y151-D240 HydrophobicContact CE1-CB 4.38Å; Y151-D240 WeakPolarHBondContact CE1-OD1 3.44Å; Y151-G271 PolarHBondContact OH-O 2.86Å |
| 152 | E | 95.6 | Very high | 92.4 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.2 | 174.8 | -172.4 | 172.1 | 89.8 | 0 | 0 | 109.4 | I139 K141 K160 | I139-E152 HydrophobicContact CG2-CG 3.97Å; K141-E152 WeakPolarHBondContact CE-OE2 3.29Å; K141-E152 HydrophobicContact CG-CB 4.4Å; K141-E152 HydrophobicContact CG-CG 4.33Å; K141-E152 IonicContact NZ-OE2 2.7Å; E152-K160 WeakPolarHBondContact OE1-CD 3.4Å; E152-K160 VanDerWaalsContact OE1-CE 3.29Å; E152-K160 WeakPolarHBondContact OE1-CE 3.3Å; E152-K160 IonicContact OE1-NZ 2.68Å; E152-K160 PolarHBondContact OE1-NZ 2.8Å |
| 153 | Y | 96.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | trans | -73.2 | 143.9 | -173.9 | 178.5 | -114.3 | 0 | 0 | 0 | 112.4 | I140 M155 L162 L175 D176 P177 I179 | I140-Y153 HydrophobicContact CB-CD1 4.48Å; I140-Y153 HydrophobicContact CB-CG 4.47Å; I140-Y153 HydrophobicContact CD1-CD1 4.19Å; I140-Y153 HydrophobicContact CG1-CD1 4.46Å; I140-Y153 PolarHBondContact O-N 3.3Å; Y153-M155 HydrophobicContact CE1-CG 3.6Å; Y153-L162 HydrophobicContact CD1-CD1 4.02Å; Y153-L162 HydrophobicContact CD1-CD2 4.26Å; Y153-L162 HydrophobicContact CE1-CD1 3.98Å; Y153-L162 HydrophobicContact CE1-CD2 3.99Å; Y153-L175 HydrophobicContact CD1-CD2 4.48Å; Y153-L175 HydrophobicContact CE1-CD2 3.7Å; Y153-L175 WeakPolarHBondContact OH-CA 3.4Å; Y153-D176 PolarHBondContact OH-N 3.04Å; Y153-D176 PolarHBondContact OH-O 2.9Å; Y153-P177 WeakPolarHBondContact CE2-O 3.34Å; Y153-P177 PolarHBondContact OH-O 2.87Å; Y153-I179 HydrophobicContact CD1-CD1 4.25Å; Y153-I179 HydrophobicContact CD2-CD1 3.52Å; Y153-I179 HydrophobicContact CD2-CG1 3.52Å; Y153-I179 HydrophobicContact CE2-CD1 3.94Å; Y153-I179 HydrophobicContact CE2-CG1 3.66Å; Y153-I179 HydrophobicContact CG-CD1 3.69Å; Y153-I179 HydrophobicContact CG-CG1 4.24Å | ||
| 154 | R | 94.1 | Very high | 91.9 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | trans | -141.6 | 117.3 | 178.6 | -178.3 | -179.4 | 75.3 | -112.5 | 6.7 | 108 | T237 Y239 | R154-T237 PolarHBondContact NH2-O 2.73Å; R154-T237 VanDerWaalsContact NH2-O 3.09Å; R154-Y239 PolarHBondContact NH2-O 3.18Å | ||
| 155 | M | 91.3 | Very high | 91.7 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | trans | -63.3 | 159.5 | 172.4 | -68.6 | -171.4 | 79.2 | 0 | 0 | 111.3 | Y153 N157 G158 S159 L162 D176 | Y153-M155 HydrophobicContact CE1-CG 3.6Å; M155-N157 WeakPolarHBondContact CB-OD1 3.29Å; M155-N157 PolarHBondContact O-N 2.83Å; M155-N157 VanDerWaalsContact O-N 3.13Å; M155-G158 WeakPolarHBondContact O-CA 3.21Å; M155-G158 PolarHBondContact O-N 3.24Å; M155-S159 PolarHBondContact N-O 3.29Å; M155-L162 HydrophobicContact CG-CD2 3.77Å; M155-L162 HydrophobicContact SD-CD2 3.59Å; M155-L162 VanDerWaalsContact SD-CD2 3.59Å; M155-D176 CarbonylContact C-O 3.47Å; M155-D176 VanDerWaalsContact CA-O 3.31Å; M155-D176 WeakPolarHBondContact CA-O 3.14Å | ||
| 156 | R | 87 | Confident | 91.4 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.3 | 177.6 | -164.1 | 178.4 | -56.7 | -87.6 | 4.3 | 113.8 | G158 D176 N238 L275 D278 | R156-G158 VanDerWaalsContact C-N 3.3Å; R156-G158 PolarHBondContact O-N 2.9Å; R156-D176 IonicContact CZ-OD1 2.79Å; R156-D176 VanDerWaalsContact CZ-OD1 3.24Å; R156-D176 PolarHBondContact N-O 3.11Å; R156-D176 IonicContact NE-OD1 3.31Å; R156-D176 PolarHBondContact NE-OD1 3.02Å; R156-D176 IonicContact NE-OD2 2.9Å; R156-D176 PolarHBondContact NE-OD2 2.79Å; R156-D176 IonicContact NH2-OD1 3.03Å; R156-D176 PolarHBondContact NH2-OD1 3.4Å; R156-N238 PolarHBondContact NH1-OD1 2.69Å; R156-L275 VanDerWaalsContact NH1-CD2 3.29Å; R156-D278 IonicContact CZ-OD2 3.28Å; R156-D278 IonicContact NH1-OD2 3.91Å; R156-D278 IonicContact NH2-OD2 3.43Å; R156-D278 PolarHBondContact NH2-OD2 2.79Å |
| 157 | N | 85.2 | Confident | 91.1 | Very high | 111 Ų | 111 | 65 Ų | 65 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4 | 173.6 | 68.6 | 1.3 | 0 | 0 | 0 | 114.6 | M155 S159 | M155-N157 WeakPolarHBondContact CB-OD1 3.29Å; M155-N157 PolarHBondContact O-N 2.83Å; M155-N157 VanDerWaalsContact O-N 3.13Å; N157-S159 PolarHBondContact ND2-OG 2.75Å; N157-S159 PolarHBondContact OD1-N 2.75Å; N157-S159 PolarHBondContact OD1-OG 3Å |
| 158 | G | 88 | Confident | 91 | Very high | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 94.4 | -8.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | M155 R156 K160 | M155-G158 WeakPolarHBondContact O-CA 3.21Å; M155-G158 PolarHBondContact O-N 3.24Å; R156-G158 VanDerWaalsContact C-N 3.3Å; R156-G158 PolarHBondContact O-N 2.9Å; G158-K160 PolarHBondContact O-N 2.89Å |
| 159 | S | 91.2 | Very high | 90.8 | Very high | 40 Ų | 40 | 63.5 Ų | 63.5 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | trans | -75 | 124 | -176.9 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | M155 N157 | M155-S159 PolarHBondContact N-O 3.29Å; N157-S159 PolarHBondContact ND2-OG 2.75Å; N157-S159 PolarHBondContact OD1-N 2.75Å; N157-S159 PolarHBondContact OD1-OG 3Å | ||
| 160 | K | 93.4 | Very high | 90.7 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | trans | -88.2 | -34.6 | 170.9 | -65.1 | 178.7 | 162.9 | -159.9 | 0 | 113.4 | E152 G158 | E152-K160 WeakPolarHBondContact OE1-CD 3.4Å; E152-K160 VanDerWaalsContact OE1-CE 3.29Å; E152-K160 WeakPolarHBondContact OE1-CE 3.3Å; E152-K160 IonicContact OE1-NZ 2.68Å; E152-K160 PolarHBondContact OE1-NZ 2.8Å; G158-K160 PolarHBondContact O-N 2.89Å | ||
| 161 | L | 93.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 59.4 Ų | 59.4 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 114.3 | -179.7 | -173 | 63.6 | 0 | 0 | 0 | 108.6 | M137 I139 Y189 M191 | M137-L161 HydrophobicContact CB-CD1 3.74Å; M137-L161 HydrophobicContact CB-CD2 4.32Å; M137-L161 HydrophobicContact CB-CG 3.92Å; M137-L161 HydrophobicContact CG-CD2 4.4Å; M137-L161 HydrophobicContact CG-CG 4.27Å; M137-L161 HydrophobicContact SD-CD2 3.65Å; M137-L161 HydrophobicContact SD-CG 4.17Å; I139-L161 HydrophobicContact CD1-CD1 4.46Å; I139-L161 HydrophobicContact CG1-CD1 3.83Å; L161-Y189 HydrophobicContact CD1-CD1 3.65Å; L161-Y189 HydrophobicContact CD1-CE1 4.42Å; L161-Y189 HydrophobicContact CD1-CG 3.96Å; L161-Y189 HydrophobicContact CD2-CD1 3.8Å; L161-Y189 HydrophobicContact CD2-CE1 3.83Å; L161-Y189 HydrophobicContact CG-CD1 4.38Å; L161-M191 HydrophobicContact CD2-CE 3.97Å |
| 162 | L | 94.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132 | -179.5 | -53.5 | -173 | 0 | 0 | 0 | 109.4 | M137 F138 I140 Y153 M155 I173 L175 | M137-L162 CarbonylContact C-O 3.55Å; M137-L162 WeakPolarHBondContact CA-O 3.41Å; M137-L162 WeakPolarHBondContact CB-O 3.37Å; F138-L162 HydrophobicContact CD2-CB 4.33Å; F138-L162 HydrophobicContact CD2-CD1 4.46Å; F138-L162 HydrophobicContact CE2-CB 4.28Å; F138-L162 HydrophobicContact CE2-CD1 3.96Å; F138-L162 PolarHBondContact N-O 3.48Å; F138-L162 PolarHBondContact O-N 3.06Å; I140-L162 HydrophobicContact CD1-CD1 3.51Å; I140-L162 HydrophobicContact CG1-CD1 3.77Å; Y153-L162 HydrophobicContact CD1-CD1 4.02Å; Y153-L162 HydrophobicContact CD1-CD2 4.26Å; Y153-L162 HydrophobicContact CE1-CD1 3.98Å; Y153-L162 HydrophobicContact CE1-CD2 3.99Å; M155-L162 HydrophobicContact CG-CD2 3.77Å; M155-L162 HydrophobicContact SD-CD2 3.59Å; M155-L162 VanDerWaalsContact SD-CD2 3.59Å; L162-I173 HydrophobicContact CD1-CG2 4.22Å; L162-L175 HydrophobicContact CD1-CD2 4.08Å |
| 163 | H | 93 | Very high | 90.3 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.2 | 173 | -69.4 | 87.9 | 0 | 0 | 0 | 109.2 | ||
| 164 | A | 90.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | trans | -112.4 | -122.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V135 P136 F138 I173 | V135-A164 WeakPolarHBondContact O-CB 3.41Å; P136-A164 PolarHBondContact O-N 3.01Å; F138-A164 HydrophobicContact CD1-CB 3.71Å; F138-A164 HydrophobicContact CE1-CB 3.68Å; A164-I173 HydrophobicContact CB-CD1 4.33Å | ||
| 165 | N | 91.5 | Very high | 90 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | trans | -83.2 | 152.8 | -168.2 | -62.3 | 89.9 | 0 | 0 | 0 | 112.8 | S124 F134 V135 P136 N167 Q169 | S124-N165 WeakPolarHBondContact CB-OD1 3.42Å; S124-N165 PolarHBondContact O-ND2 2.89Å; S124-N165 PolarHBondContact OG-OD1 2.94Å; F134-N165 HydrophobicContact CB-CB 4.06Å; F134-N165 HydrophobicContact CD2-CB 3.95Å; F134-N165 WeakPolarHBondContact CD2-O 3.33Å; F134-N165 WeakPolarHBondContact CE2-O 3.38Å; F134-N165 HydrophobicContact CG-CB 4.34Å; V135-N165 PolarHBondContact O-N 2.98Å; V135-N165 VanDerWaalsContact O-N 3.12Å; P136-N165 WeakPolarHBondContact CA-O 3.22Å; N165-N167 WeakPolarHBondContact CB-O 3.36Å; N165-Q169 PolarHBondContact ND2-O 2.9Å | ||
| 166 | R | 88 | Confident | 90 | Very high | 221 Ų | 221 | 58.6 Ų | 58.6 | 83% | 0.834 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -112.8 | -2.3 | 170.1 | -63 | -175.7 | -179.3 | -176.3 | 0.1 | 113 | F134 | F134-R166 VanDerWaalsContact CE2-C 3.44Å; F134-R166 VanDerWaalsContact CZ-C 3.44Å; F134-R166 WeakPolarHBondContact CZ-O 3.33Å |
| 167 | N | 84.7 | Confident | 90.3 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -171.3 | -170.5 | -172.8 | 56.5 | 13.8 | 0 | 0 | 0 | 107.5 | N165 Q169 | N165-N167 WeakPolarHBondContact CB-O 3.36Å; N167-Q169 VanDerWaalsContact C-N 3.26Å; N167-Q169 PolarHBondContact ND2-OE1 2.82Å; N167-Q169 PolarHBondContact O-N 3.36Å; N167-Q169 VanDerWaalsContact OD1-CB 3.29Å; N167-Q169 WeakPolarHBondContact OD1-CB 3.32Å; N167-Q169 PolarHBondContact OD1-N 3.35Å |
| 168 | S | 83 | Confident | 90.7 | Very high | 39 Ų | 39 | 52 Ų | 52 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -83.3 | 21.4 | 174.4 | 38.7 | 0 | 0 | 0 | 0 | 115 | Q131 | Q131-S168 WeakPolarHBondContact O-CB 3.47Å; Q131-S168 PolarHBondContact O-OG 2.89Å |
| 169 | Q | 84.7 | Confident | 91.1 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 59% | 0.593 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -92 | 147.7 | 173.9 | -60.6 | 176.7 | -43.2 | 0 | 0 | 111.4 | N165 N167 | N165-Q169 PolarHBondContact ND2-O 2.9Å; N167-Q169 VanDerWaalsContact C-N 3.26Å; N167-Q169 PolarHBondContact ND2-OE1 2.82Å; N167-Q169 PolarHBondContact O-N 3.36Å; N167-Q169 VanDerWaalsContact OD1-CB 3.29Å; N167-Q169 WeakPolarHBondContact OD1-CB 3.32Å; N167-Q169 PolarHBondContact OD1-N 3.35Å |
| 170 | T | 88 | Confident | 91.3 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 31% | 0.307 | 24% | 0.237 | S | C | . | . | trans | -63.5 | 133.3 | 173.5 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | F82 F123 S124 | F82-T170 HydrophobicContact CE2-CG2 4.15Å; F82-T170 HydrophobicContact CZ-CG2 3.91Å; F123-T170 HydrophobicContact CB-CG2 4.1Å; F123-T170 HydrophobicContact CD1-CG2 4.12Å; S124-T170 CarbonylContact O-C 3.55Å; S124-T170 WeakPolarHBondContact O-CA 3.45Å | ||
| 171 | I | 91.4 | Very high | 91.5 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153.1 | 173.8 | 66 | 93.5 | 0 | 0 | 0 | 110.1 | F123 S124 I173 | F123-I171 WeakPolarHBondContact CA-O 2.96Å; S124-I171 PolarHBondContact N-O 3.33Å; S124-I171 PolarHBondContact O-N 2.87Å; I171-I173 HydrophobicContact CD1-CD1 3.87Å; I171-I173 HydrophobicContact CD1-CG1 3.47Å; I171-I173 VanDerWaalsContact CD1-CG1 3.47Å |
| 172 | V | 92.6 | Very high | 91.6 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.6 | -178.5 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | V121 F123 F717 | V121-V172 HydrophobicContact CG1-CG1 3.56Å; F123-V172 HydrophobicContact CD1-CB 4.49Å; F123-V172 HydrophobicContact CD1-CG1 4.42Å; F123-V172 HydrophobicContact CD1-CG2 3.8Å; F123-V172 HydrophobicContact CE1-CB 4.41Å; F123-V172 HydrophobicContact CE1-CG1 4.11Å; F123-V172 HydrophobicContact CE1-CG2 3.59Å; F123-V172 HydrophobicContact CZ-CG1 4.27Å; F123-V172 HydrophobicContact CZ-CG2 4.47Å; V172-F717 HydrophobicContact CG1-CE1 4.23Å |
| 173 | I | 93.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 109.1 | 174.6 | -52.5 | 173.6 | 0 | 0 | 0 | 107.9 | V121 L122 F138 L162 A164 I171 L175 | V121-I173 WeakPolarHBondContact CA-O 3.46Å; L122-I173 HydrophobicContact CB-CB 4.35Å; L122-I173 PolarHBondContact N-O 2.81Å; L122-I173 PolarHBondContact O-N 2.79Å; F138-I173 HydrophobicContact CE1-CD1 3.76Å; F138-I173 HydrophobicContact CE2-CD1 4.36Å; F138-I173 HydrophobicContact CZ-CD1 3.45Å; F138-I173 VanDerWaalsContact CZ-CD1 3.45Å; L162-I173 HydrophobicContact CD1-CG2 4.22Å; A164-I173 HydrophobicContact CB-CD1 4.33Å; I171-I173 HydrophobicContact CD1-CD1 3.87Å; I171-I173 HydrophobicContact CD1-CG1 3.47Å; I171-I173 VanDerWaalsContact CD1-CG1 3.47Å; I173-L175 HydrophobicContact CG2-CD2 4.41Å |
| 174 | Q | 92.4 | Very high | 91.9 | Very high | 101 Ų | 101 | 40.7 Ų | 40.7 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.3 | 171.3 | -177.3 | 175 | -29.3 | 0 | 0 | 109.9 | ||
| 175 | L | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.7 | 175.1 | -56.7 | 174.6 | 0 | 0 | 0 | 109.1 | I119 K120 L122 I140 Y153 L162 I173 P177 I179 | I119-L175 HydrophobicContact CB-CD1 4.46Å; I119-L175 HydrophobicContact CG2-CD1 3.9Å; K120-L175 PolarHBondContact O-N 2.87Å; L122-L175 HydrophobicContact CD1-CD1 4.28Å; L122-L175 HydrophobicContact CD1-CD2 4.28Å; L122-L175 HydrophobicContact CG-CD1 4.1Å; L122-L175 HydrophobicContact CG-CG 4.46Å; I140-L175 HydrophobicContact CD1-CD2 3.95Å; Y153-L175 HydrophobicContact CD1-CD2 4.48Å; Y153-L175 HydrophobicContact CE1-CD2 3.7Å; Y153-L175 WeakPolarHBondContact OH-CA 3.4Å; L162-L175 HydrophobicContact CD1-CD2 4.08Å; I173-L175 HydrophobicContact CG2-CD2 4.41Å; L175-P177 CarbonylContact C-O 3.57Å; L175-I179 HydrophobicContact CD1-CD1 3.89Å; L175-I179 HydrophobicContact CD1-CG1 4.1Å; L175-I179 HydrophobicContact CD2-CD1 4.5Å |
| 176 | D | 90.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 106.5 | 177.1 | 176 | 35 | 0 | 0 | 0 | 107.9 | S40 Y153 M155 R156 | S40-D176 PolarHBondContact OG-OD2 3.33Å; Y153-D176 PolarHBondContact OH-N 3.04Å; Y153-D176 PolarHBondContact OH-O 2.9Å; M155-D176 CarbonylContact C-O 3.47Å; M155-D176 VanDerWaalsContact CA-O 3.31Å; M155-D176 WeakPolarHBondContact CA-O 3.14Å; R156-D176 IonicContact CZ-OD1 2.79Å; R156-D176 VanDerWaalsContact CZ-OD1 3.24Å; R156-D176 PolarHBondContact N-O 3.11Å; R156-D176 IonicContact NE-OD1 3.31Å; R156-D176 PolarHBondContact NE-OD1 3.02Å; R156-D176 IonicContact NE-OD2 2.9Å; R156-D176 PolarHBondContact NE-OD2 2.79Å; R156-D176 IonicContact NH2-OD1 3.03Å; R156-D176 PolarHBondContact NH2-OD1 3.4Å |
| 177 | P | 92.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -69.1 | 160.2 | -0.3 | 32 | -38.3 | 0 | 0 | 0 | 113 | Y153 L175 N238 D278 | Y153-P177 WeakPolarHBondContact CE2-O 3.34Å; Y153-P177 PolarHBondContact OH-O 2.87Å; L175-P177 CarbonylContact C-O 3.57Å; P177-N238 WeakPolarHBondContact CD-ND2 2.96Å; P177-N238 HydrophobicContact CG-CB 4.16Å; P177-D278 HydrophobicContact CB-CB 3.99Å |
| 178 | P | 94.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 154.7 | 166.7 | -25 | 36.3 | 0 | 0 | 0 | 112.6 | L118 I119 K120 D278 | L118-P178 HydrophobicContact CD1-CB 3.76Å; L118-P178 HydrophobicContact CG-CB 4.31Å; I119-P178 CarbonylContact O-C 3.56Å; I119-P178 WeakPolarHBondContact O-CA 3.34Å; I119-P178 WeakPolarHBondContact O-CB 3Å; K120-P178 HydrophobicContact CB-CB 4.35Å; K120-P178 HydrophobicContact CB-CG 4.41Å; K120-P178 HydrophobicContact CD-CG 4.06Å; K120-P178 HydrophobicContact CG-CG 4.12Å; P178-D278 WeakPolarHBondContact CG-O 3.43Å |
| 179 | I | 95.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.8 | 178.6 | -60.1 | 177 | 0 | 0 | 0 | 109.9 | I119 I140 Y142 Y153 L175 A181 | I119-I179 HydrophobicContact CB-CB 4.42Å; I119-I179 PolarHBondContact N-O 2.75Å; I119-I179 PolarHBondContact O-N 3.03Å; I140-I179 HydrophobicContact CB-CD1 4.48Å; I140-I179 HydrophobicContact CD1-CD1 3.91Å; I140-I179 HydrophobicContact CG2-CD1 3.97Å; Y142-I179 HydrophobicContact CD1-CG2 4.03Å; Y142-I179 HydrophobicContact CD2-CG2 3.65Å; Y142-I179 HydrophobicContact CE1-CG2 4.39Å; Y142-I179 HydrophobicContact CE2-CG2 4.02Å; Y142-I179 HydrophobicContact CG-CG2 3.66Å; Y153-I179 HydrophobicContact CD1-CD1 4.25Å; Y153-I179 HydrophobicContact CD2-CD1 3.52Å; Y153-I179 HydrophobicContact CD2-CG1 3.52Å; Y153-I179 HydrophobicContact CE2-CD1 3.94Å; Y153-I179 HydrophobicContact CE2-CG1 3.66Å; Y153-I179 HydrophobicContact CG-CD1 3.69Å; Y153-I179 HydrophobicContact CG-CG1 4.24Å; L175-I179 HydrophobicContact CD1-CD1 3.89Å; L175-I179 HydrophobicContact CD1-CG1 4.1Å; L175-I179 HydrophobicContact CD2-CD1 4.5Å; I179-A181 HydrophobicContact CG2-CB 4Å |
| 180 | I | 96.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 5% | 0.046 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.7 | 168.2 | -64.3 | 159.9 | 0 | 0 | 0 | 108.7 | L116 K117 L118 R144 F209 L273 M277 | L116-I180 HydrophobicContact CD2-CG2 4.31Å; K117-I180 WeakPolarHBondContact O-CA 3.3Å; L118-I180 HydrophobicContact CD1-CD1 4.41Å; L118-I180 HydrophobicContact CD1-CG1 3.77Å; R144-I180 WeakPolarHBondContact CD-O 3.45Å; R144-I180 WeakPolarHBondContact CG-O 3.47Å; I180-F209 HydrophobicContact CD1-CD2 3.94Å; I180-F209 HydrophobicContact CD1-CE1 4.23Å; I180-F209 HydrophobicContact CD1-CE2 3.34Å; I180-F209 HydrophobicContact CD1-CZ 3.51Å; I180-F209 HydrophobicContact CG1-CD2 3.89Å; I180-F209 HydrophobicContact CG1-CE2 3.84Å; I180-F209 HydrophobicContact CG1-CG 4.34Å; I180-F209 HydrophobicContact CG1-CZ 4.25Å; I180-F209 HydrophobicContact CG2-CD1 3.75Å; I180-F209 HydrophobicContact CG2-CD2 4.36Å; I180-F209 HydrophobicContact CG2-CE1 3.93Å; I180-F209 HydrophobicContact CG2-CG 3.97Å; I180-F209 HydrophobicContact CG2-CZ 4.32Å; I180-L273 HydrophobicContact CB-CD1 4.2Å; I180-L273 HydrophobicContact CD1-CD1 3.89Å; I180-L273 HydrophobicContact CG2-CD1 4.22Å; I180-M277 HydrophobicContact CD1-CB 4.22Å; I180-M277 VanDerWaalsContact CD1-O 3.31Å; I180-M277 WeakPolarHBondContact CD1-O 3.45Å |
| 181 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 149.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L116 K117 I119 Y142 I179 | L116-A181 WeakPolarHBondContact CA-O 3.37Å; K117-A181 PolarHBondContact N-O 3.4Å; K117-A181 PolarHBondContact O-N 3.26Å; K117-A181 VanDerWaalsContact O-N 3.11Å; I119-A181 HydrophobicContact CD1-CB 4.44Å; Y142-A181 HydrophobicContact CD2-CB 4.29Å; I179-A181 HydrophobicContact CG2-CB 4Å |
| 182 | K | 96.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 28.3 Ų | 28.3 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -33.3 | 163.1 | -178.5 | 178.2 | -179.7 | 174.1 | 0 | 111.1 | F113 G114 L116 Q143 R144 D146 | F113-K182 WeakPolarHBondContact CD2-O 3.44Å; F113-K182 PolarHBondContact N-O 3.19Å; G114-K182 VanDerWaalsContact O-CE 3.25Å; G114-K182 WeakPolarHBondContact O-CE 3.47Å; L116-K182 HydrophobicContact CD2-CB 4.15Å; Q143-K182 PolarHBondContact O-N 2.67Å; R144-K182 VanDerWaalsContact O-CB 3.25Å; R144-K182 WeakPolarHBondContact O-CB 3.26Å; D146-K182 VanDerWaalsContact CG-NZ 3.3Å; D146-K182 WeakPolarHBondContact OD1-CE 3.46Å; D146-K182 IonicContact OD1-NZ 3.89Å; D146-K182 PolarHBondContact OD1-NZ 2.83Å; D146-K182 VanDerWaalsContact OD1-NZ 3.16Å; D146-K182 IonicContact OD2-NZ 2.76Å; D146-K182 PolarHBondContact OD2-NZ 3.38Å |
| 183 | R | 96.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.9 | 170.2 | -57.2 | -173.1 | 178.7 | 78.6 | 22.5 | 111.8 | I111 D112 Y142 Q143 D146 W150 | I111-R183 WeakPolarHBondContact O-CA 3.3Å; D112-R183 HydrophobicContact CB-CG 4.18Å; D112-R183 IonicContact OD2-CZ 2.64Å; D112-R183 IonicContact OD2-NE 2.76Å; D112-R183 PolarHBondContact OD2-NE 3.24Å; D112-R183 IonicContact OD2-NH2 3.19Å; D112-R183 PolarHBondContact OD2-NH2 3.16Å; Y142-R183 CarbonylContact C-O 3.53Å; Y142-R183 VanDerWaalsContact CA-O 3.27Å; Y142-R183 WeakPolarHBondContact CA-O 3.29Å; Y142-R183 WeakPolarHBondContact CB-O 3.4Å; Q143-R183 HydrophobicContact CB-CB 4.26Å; Q143-R183 PolarHBondContact N-O 2.93Å; Q143-R183 PolarHBondContact O-N 3.09Å; D146-R183 IonicContact OD1-CZ 2.67Å; D146-R183 IonicContact OD1-NH1 3.17Å; D146-R183 PolarHBondContact OD1-NH1 3.22Å; D146-R183 IonicContact OD1-NH2 2.67Å; D146-R183 PolarHBondContact OD1-NH2 2.87Å; W150-R183 HydrophobicContact CH2-CB 3.73Å; W150-R183 HydrophobicContact CZ3-CB 4.25Å |
| 184 | L | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.8 | 176.3 | 174 | 141.5 | 0 | 0 | 0 | 109.7 | Q110 I111 F113 I119 I140 K141 I186 I204 | Q110-L184 CarbonylContact C-O 3.56Å; Q110-L184 WeakPolarHBondContact CA-O 3.45Å; I111-L184 HydrophobicContact CD1-CD2 4.35Å; I111-L184 PolarHBondContact N-O 2.75Å; I111-L184 PolarHBondContact O-N 3.24Å; F113-L184 HydrophobicContact CE2-CB 3.73Å; F113-L184 HydrophobicContact CZ-CB 4.18Å; I119-L184 HydrophobicContact CD1-CD1 3.89Å; I140-L184 HydrophobicContact CG2-CD1 3.64Å; I140-L184 HydrophobicContact CG2-CG 3.81Å; K141-L184 CarbonylContact O-C 3.54Å; L184-I186 HydrophobicContact CD2-CD1 3.73Å; L184-I186 HydrophobicContact CD2-CG1 3.86Å; L184-I186 HydrophobicContact CG-CD1 4.5Å; L184-I204 HydrophobicContact CD2-CD1 4.35Å |
| 185 | R | 97.1 | Very high | 92.1 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 22% | 0.223 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.3 | 174.9 | -80.1 | 179.4 | -176.1 | -167.2 | 1.6 | 109.6 | W108 L109 Q110 I140 K141 W150 L187 | W108-R185 HydrophobicContact CB-CG 4.49Å; W108-R185 HydrophobicContact CE3-CG 4.39Å; L109-R185 CarbonylContact O-C 3.57Å; L109-R185 VanDerWaalsContact O-CA 3.26Å; L109-R185 WeakPolarHBondContact O-CA 3.43Å; Q110-R185 HydrophobicContact CB-CG 3.83Å; Q110-R185 HydrophobicContact CG-CG 4Å; Q110-R185 VanDerWaalsContact OE1-CZ 3.28Å; I140-R185 WeakPolarHBondContact CA-O 3.26Å; K141-R185 HydrophobicContact CB-CB 4.38Å; K141-R185 PolarHBondContact N-O 3.2Å; K141-R185 PolarHBondContact O-N 2.73Å; W150-R185 HydrophobicContact CE3-CG 4.41Å; W150-R185 HydrophobicContact CH2-CG 3.72Å; W150-R185 HydrophobicContact CZ3-CB 4.08Å; W150-R185 HydrophobicContact CZ3-CG 3.63Å; R185-L187 HydrophobicContact CB-CD1 4.12Å |
| 186 | I | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.4 | 168.7 | -59.3 | -54.7 | 0 | 0 | 0 | 108.6 | W108 L109 F138 I140 L184 L200 L202 | W108-I186 VanDerWaalsContact CA-O 3.28Å; W108-I186 WeakPolarHBondContact CA-O 3.46Å; L109-I186 PolarHBondContact N-O 2.9Å; L109-I186 PolarHBondContact O-N 3.34Å; F138-I186 HydrophobicContact CB-CG2 3.72Å; F138-I186 HydrophobicContact CD1-CG2 3.95Å; F138-I186 HydrophobicContact CD2-CD1 4Å; F138-I186 HydrophobicContact CD2-CG2 3.74Å; F138-I186 HydrophobicContact CE1-CG2 4.42Å; F138-I186 HydrophobicContact CE2-CD1 3.74Å; F138-I186 HydrophobicContact CE2-CG2 4.23Å; F138-I186 HydrophobicContact CG-CG2 3.56Å; F138-I186 HydrophobicContact CZ-CD1 4.39Å; I140-I186 HydrophobicContact CB-CD1 4.32Å; I140-I186 HydrophobicContact CD1-CD1 4.16Å; I140-I186 HydrophobicContact CG1-CD1 3.69Å; I140-I186 HydrophobicContact CG2-CD1 4.19Å; L184-I186 HydrophobicContact CD2-CD1 3.73Å; L184-I186 HydrophobicContact CD2-CG1 3.86Å; L184-I186 HydrophobicContact CG-CD1 4.5Å; I186-L200 HydrophobicContact CB-CD2 4.46Å; I186-L200 HydrophobicContact CG2-CD2 3.79Å; I186-L202 HydrophobicContact CB-CD1 4.41Å; I186-L202 HydrophobicContact CG1-CD1 3.69Å |
| 187 | L | 96.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 105 | -179.8 | -64 | 84.4 | 0 | 0 | 0 | 108.7 | L105 W108 F138 I139 K141 R185 | L105-L187 HydrophobicContact CB-CD2 4.2Å; L105-L187 HydrophobicContact CD2-CB 4.31Å; W108-L187 HydrophobicContact CB-CG 4.27Å; F138-L187 VanDerWaalsContact CA-O 3.22Å; F138-L187 WeakPolarHBondContact CA-O 3.47Å; F138-L187 VanDerWaalsContact CB-O 3.22Å; F138-L187 WeakPolarHBondContact CB-O 3.38Å; I139-L187 HydrophobicContact CB-CB 4.47Å; I139-L187 PolarHBondContact N-O 3.43Å; I139-L187 WeakPolarHBondContact O-CD1 3.27Å; I139-L187 PolarHBondContact O-N 3.22Å; K141-L187 HydrophobicContact CB-CD1 4.05Å; K141-L187 HydrophobicContact CD-CD1 4Å; K141-L187 HydrophobicContact CD-CD2 4.11Å; K141-L187 HydrophobicContact CG-CD1 3.88Å; R185-L187 HydrophobicContact CB-CD1 4.12Å |
| 188 | P | 95 | Very high | 91.5 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 144.7 | 177.2 | -25.3 | 36.2 | 0 | 0 | 0 | 112.6 | W95 I101 E107 V135 M198 | W95-P188 HydrophobicContact CH2-CG 3.82Å; W95-P188 HydrophobicContact CZ3-CG 3.64Å; I101-P188 HydrophobicContact CG1-CB 4.27Å; I101-P188 HydrophobicContact CG2-CB 4.22Å; E107-P188 WeakPolarHBondContact O-CD 3.33Å; V135-P188 HydrophobicContact CG1-CB 4.04Å; V135-P188 HydrophobicContact CG2-CB 4.01Å; V135-P188 HydrophobicContact CG2-CG 4.21Å; P188-M198 HydrophobicContact CB-SD 4.39Å |
| 189 | Y | 92.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 37 Ų | 37 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.6 | -179.3 | -178.1 | -92.2 | 0 | 0 | 0 | 112 | K103 L105 P136 M137 L161 M191 | K103-Y189 HydrophobicContact CB-CE2 3.99Å; K103-Y189 HydrophobicContact CG-CE2 4.21Å; L105-Y189 HydrophobicContact CD2-CD2 3.88Å; P136-Y189 WeakPolarHBondContact CG-O 3.49Å; M137-Y189 HydrophobicContact CB-CD1 4.5Å; M137-Y189 HydrophobicContact CE-CD1 4.44Å; M137-Y189 PolarHBondContact N-O 3.41Å; M137-Y189 PolarHBondContact O-N 3.34Å; L161-Y189 HydrophobicContact CD1-CD1 3.65Å; L161-Y189 HydrophobicContact CD1-CE1 4.42Å; L161-Y189 HydrophobicContact CD1-CG 3.96Å; L161-Y189 HydrophobicContact CD2-CD1 3.8Å; L161-Y189 HydrophobicContact CD2-CE1 3.83Å; L161-Y189 HydrophobicContact CG-CD1 4.38Å; Y189-M191 HydrophobicContact CE1-CE 3.87Å; Y189-M191 HydrophobicContact CE1-CG 4.01Å; Y189-M191 HydrophobicContact CE1-SD 3.83Å |
| 190 | T | 90.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | trans | -135 | 148.7 | 168.3 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | H102 K103 E192 M198 | H102-T190 PolarHBondContact O-N 3.48Å; K103-T190 WeakPolarHBondContact CG-O 3.27Å; T190-E192 HydrophobicContact CG2-CB 4.39Å; T190-E192 WeakPolarHBondContact OG1-CB 3.34Å; T190-E192 PolarHBondContact OG1-N 3.05Å; T190-E192 VanDerWaalsContact OG1-N 3.08Å; T190-M198 HydrophobicContact CG2-CE 3.53Å | ||
| 191 | M | 86.1 | Confident | 91 | Very high | 111 Ų | 111 | 38 Ų | 38 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | trans | -85.6 | -16.5 | 168.7 | -73.2 | -67 | -175.4 | 0 | 0 | 112.6 | K103 M137 L161 Y189 | K103-M191 VanDerWaalsContact CE-O 3.3Å; K103-M191 WeakPolarHBondContact CE-O 3.32Å; K103-M191 PolarHBondContact NZ-O 2.79Å; M137-M191 HydrophobicContact CE-CB 4.16Å; M137-M191 HydrophobicContact CE-CG 3.87Å; M137-M191 HydrophobicContact SD-CG 4.28Å; L161-M191 HydrophobicContact CD2-CE 3.97Å; Y189-M191 HydrophobicContact CE1-CE 3.87Å; Y189-M191 HydrophobicContact CE1-CG 4.01Å; Y189-M191 HydrophobicContact CE1-SD 3.83Å | ||
| 192 | E | 85.3 | Confident | 90.8 | Very high | 75 Ų | 75 | 38 Ų | 38 | 35% | 0.35 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -60.7 | 149.7 | 179.2 | -65.9 | -171.4 | -135.6 | 0 | 0 | 112.2 | H102 T190 N194 K196 | H102-E192 PolarHBondContact CD2-O 3.4Å; T190-E192 HydrophobicContact CG2-CB 4.39Å; T190-E192 WeakPolarHBondContact OG1-CB 3.34Å; T190-E192 PolarHBondContact OG1-N 3.05Å; T190-E192 VanDerWaalsContact OG1-N 3.08Å; E192-N194 VanDerWaalsContact C-N 3.34Å; E192-K196 IonicContact OE1-NZ 2.67Å; E192-K196 PolarHBondContact OE1-NZ 3.02Å; E192-K196 WeakPolarHBondContact OE2-CE 3.39Å; E192-K196 IonicContact OE2-NZ 2.72Å; E192-K196 PolarHBondContact OE2-NZ 3.4Å |
| 193 | S | 80 | Confident | 90.6 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 63% | 0.629 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -74.8 | -22 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 114 | ||
| 194 | N | 82.7 | Confident | 90.5 | Very high | 102 Ų | 102 | 34.9 Ų | 34.9 | 55% | 0.545 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -101.6 | 122.3 | -170.1 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | E192 K196 | E192-N194 VanDerWaalsContact C-N 3.34Å; N194-K196 PolarHBondContact O-N 3.23Å |
| 195 | P | 81.8 | Confident | 90.3 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | trans | -66.4 | 132.5 | 179 | 28.3 | -34.6 | 0 | 0 | 0 | 110 | L100 I101 H102 | L100-P195 HydrophobicContact CB-CB 3.89Å; I101-P195 WeakPolarHBondContact O-CA 3.47Å; H102-P195 HydrophobicContact CB-CB 4.41Å | ||
| 196 | K | 84.5 | Confident | 90.2 | Very high | 89 Ų | 89 | 33.9 Ų | 33.9 | 39% | 0.387 | 18% | 0.177 | S | C | . | . | B | Isolated β-bridge | trans | -124.3 | 149.7 | -175.1 | -77.9 | 177.9 | 173.3 | 175.5 | 0 | 111.8 | I101 E192 N194 M198 | I101-K196 PolarHBondContact N-O 3.29Å; I101-K196 PolarHBondContact O-N 2.94Å; E192-K196 IonicContact OE1-NZ 2.67Å; E192-K196 PolarHBondContact OE1-NZ 3.02Å; E192-K196 WeakPolarHBondContact OE2-CE 3.39Å; E192-K196 IonicContact OE2-NZ 2.72Å; E192-K196 PolarHBondContact OE2-NZ 3.4Å; N194-K196 PolarHBondContact O-N 3.23Å; K196-M198 HydrophobicContact CB-CE 4.44Å; K196-M198 PolarHBondContact O-N 3.05Å |
| 197 | L | 88.4 | Confident | 90 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 20% | 0.199 | 18% | 0.184 | C | C | . | . | trans | -72.3 | 118.7 | 162.7 | -178.1 | 63.6 | 0 | 0 | 0 | 107.6 | Y69 C96 L100 A133 | Y69-L197 HydrophobicContact CD1-CD2 4.37Å; Y69-L197 HydrophobicContact CD2-CD1 3.6Å; Y69-L197 HydrophobicContact CD2-CD2 4.45Å; Y69-L197 HydrophobicContact CE1-CD2 4.21Å; Y69-L197 HydrophobicContact CE2-CD1 4.01Å; Y69-L197 HydrophobicContact CE2-CD2 4.3Å; Y69-L197 HydrophobicContact CG-CD1 3.95Å; Y69-L197 HydrophobicContact CG-CD2 4.48Å; C96-L197 HydrophobicContact CB-CD1 4.18Å; L100-L197 HydrophobicContact CD2-CB 3.87Å; A133-L197 WeakPolarHBondContact CB-O 3.41Å | ||
| 198 | M | 91.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | trans | -109.7 | 145.4 | 175.2 | -59.2 | 178.7 | -165.7 | 0 | 0 | 108.9 | C96 P97 I101 F134 V135 P188 T190 K196 | C96-M198 WeakPolarHBondContact CA-O 3.18Å; C96-M198 WeakPolarHBondContact CB-O 3.18Å; P97-M198 VanDerWaalsContact CD-O 3.27Å; P97-M198 WeakPolarHBondContact CD-O 3.09Å; I101-M198 HydrophobicContact CB-CE 3.63Å; I101-M198 HydrophobicContact CB-CG 4.29Å; I101-M198 HydrophobicContact CB-SD 3.71Å; I101-M198 HydrophobicContact CG1-SD 4.2Å; I101-M198 HydrophobicContact CG2-CE 3.67Å; I101-M198 HydrophobicContact CG2-SD 3.74Å; F134-M198 WeakPolarHBondContact O-CG 3.47Å; V135-M198 HydrophobicContact CG2-CB 3.86Å; V135-M198 HydrophobicContact CG2-SD 4.44Å; P188-M198 HydrophobicContact CB-SD 4.39Å; T190-M198 HydrophobicContact CG2-CE 3.53Å; K196-M198 HydrophobicContact CB-CE 4.44Å; K196-M198 PolarHBondContact O-N 3.05Å | ||
| 199 | C | 92.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | trans | -129.8 | 147.3 | 174.3 | -65.2 | 0 | 0 | 0 | 0 | 108.6 | A94 W95 C96 G127 A133 F134 V135 | A94-C199 HydrophobicContact CB-CB 4.07Å; W95-C199 CarbonylContact O-C 3.55Å; W95-C199 VanDerWaalsContact O-CA 3.29Å; W95-C199 WeakPolarHBondContact O-CA 3.22Å; C96-C199 HydrophobicContact CB-CB 4.16Å; C96-C199 WeakPolarHBondContact CB-SG 3.36Å; C96-C199 WeakPolarHBondContact SG-CB 3.49Å; C96-C199 CovalentContact SG-SG 2.04Å; C96-C199 PolarHBondContact SG-SG 2.71Å; G127-C199 WeakPolarHBondContact O-CB 3.31Å; A133-C199 HydrophobicContact CB-CB 3.92Å; F134-C199 WeakPolarHBondContact CA-O 3.5Å; V135-C199 PolarHBondContact N-O 2.89Å | ||
| 200 | L | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -139.8 | 134.5 | -170.1 | -178.9 | 62 | 0 | 0 | 0 | 111.1 | W95 L109 S124 V135 I186 L202 | W95-L200 HydrophobicContact CE3-CB 4.13Å; W95-L200 HydrophobicContact CE3-CD2 4.24Å; W95-L200 HydrophobicContact CZ3-CD2 4.23Å; W95-L200 PolarHBondContact N-O 2.94Å; W95-L200 PolarHBondContact O-N 2.86Å; L109-L200 HydrophobicContact CD2-CD2 4.33Å; S124-L200 WeakPolarHBondContact OG-CD1 3.5Å; V135-L200 HydrophobicContact CB-CD1 4.23Å; V135-L200 HydrophobicContact CG2-CB 3.85Å; V135-L200 HydrophobicContact CG2-CD1 4.22Å; V135-L200 HydrophobicContact CG2-CD2 4.41Å; V135-L200 HydrophobicContact CG2-CG 4.38Å; I186-L200 HydrophobicContact CB-CD2 4.46Å; I186-L200 HydrophobicContact CG2-CD2 3.79Å; L200-L202 HydrophobicContact CD1-CD2 3.97Å; L200-L202 HydrophobicContact CD1-CG 4.22Å; L200-L202 HydrophobicContact CD2-CD1 4.06Å; L200-L202 HydrophobicContact CD2-CD2 4.4Å; L200-L202 HydrophobicContact CD2-CG 4.16Å; L200-L202 HydrophobicContact CG-CD1 4.44Å; L200-L202 HydrophobicContact CG-CD2 4.29Å; L200-L202 HydrophobicContact CG-CG 4.02Å |
| 201 | R | 92 | Very high | 90 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 11% | 0.109 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.2 | 164.9 | -42.8 | 177.7 | 79.2 | -158.8 | 11.3 | 108.7 | A80 F82 I91 G93 A94 S124 E125 | A80-R201 CarbonylContact O-C 3.51Å; A80-R201 WeakPolarHBondContact O-CA 3.41Å; A80-R201 WeakPolarHBondContact O-CB 3.22Å; F82-R201 HydrophobicContact CD1-CB 3.57Å; F82-R201 HydrophobicContact CE1-CB 4.02Å; F82-R201 HydrophobicContact CG-CB 4.28Å; I91-R201 PolarHBondContact O-NH2 2.82Å; G93-R201 PolarHBondContact O-NE 2.89Å; G93-R201 VanDerWaalsContact O-NE 3.1Å; A94-R201 HydrophobicContact CB-CG 3.53Å; S124-R201 WeakPolarHBondContact CA-O 3.34Å; E125-R201 HydrophobicContact CB-CB 4.18Å; E125-R201 PolarHBondContact N-O 2.89Å; E125-R201 PolarHBondContact O-N 3.1Å; E125-R201 WeakPolarHBondContact OE2-CD 3.48Å; E125-R201 IonicContact OE2-CZ 2.82Å; E125-R201 IonicContact OE2-NE 3.16Å; E125-R201 IonicContact OE2-NH1 2.73Å; E125-R201 PolarHBondContact OE2-NH1 3.38Å |
| 202 | L | 92.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.4 | -178 | -65.2 | 170.4 | 0 | 0 | 0 | 110.7 | A80 F82 L109 I111 F123 I186 L200 | A80-L202 PolarHBondContact O-N 2.9Å; F82-L202 WeakPolarHBondContact CD1-O 3.03Å; F82-L202 PolarHBondContact N-O 3.35Å; L109-L202 HydrophobicContact CD2-CD1 3.82Å; I111-L202 HydrophobicContact CD1-CD1 4.28Å; F123-L202 VanDerWaalsContact O-CA 3.3Å; F123-L202 WeakPolarHBondContact O-CA 3.45Å; I186-L202 HydrophobicContact CB-CD1 4.41Å; I186-L202 HydrophobicContact CG1-CD1 3.69Å; L200-L202 HydrophobicContact CD1-CD2 3.97Å; L200-L202 HydrophobicContact CD1-CG 4.22Å; L200-L202 HydrophobicContact CD2-CD1 4.06Å; L200-L202 HydrophobicContact CD2-CD2 4.4Å; L200-L202 HydrophobicContact CD2-CG 4.16Å; L200-L202 HydrophobicContact CG-CD1 4.44Å; L200-L202 HydrophobicContact CG-CD2 4.29Å; L200-L202 HydrophobicContact CG-CG 4.02Å |
| 203 | A | 92.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | F82 V84 F123 Y205 | F82-A203 HydrophobicContact CD1-CB 4.19Å; F82-A203 HydrophobicContact CE1-CB 4Å; F82-A203 VanDerWaalsContact CE1-N 3.35Å; F82-A203 HydrophobicContact CZ-CB 4.18Å; F82-A203 VanDerWaalsContact O-CB 3.23Å; F82-A203 WeakPolarHBondContact O-CB 3.1Å; V84-A203 HydrophobicContact CG2-CB 3.64Å; F123-A203 HydrophobicContact CB-CB 4.14Å; F123-A203 PolarHBondContact N-O 3.2Å; F123-A203 PolarHBondContact O-N 2.81Å; A203-Y205 HydrophobicContact CB-CE2 4.12Å |
| 204 | I | 94.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.046 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127 | -172.2 | -56.2 | -165.5 | 0 | 0 | 0 | 109.5 | L56 I111 F113 I119 L122 L184 | L56-I204 HydrophobicContact CD1-CG2 3.77Å; L56-I204 HydrophobicContact CG-CG2 4.37Å; L56-I204 PolarHBondContact N-O 3.36Å; I111-I204 HydrophobicContact CD1-CD1 3.5Å; I111-I204 VanDerWaalsContact CD1-CD1 3.5Å; F113-I204 HydrophobicContact CE1-CD1 4.3Å; F113-I204 HydrophobicContact CE1-CG2 4.45Å; F113-I204 HydrophobicContact CZ-CD1 4.06Å; I119-I204 HydrophobicContact CG1-CG2 4.4Å; I119-I204 HydrophobicContact CG2-CG2 3.48Å; I119-I204 VanDerWaalsContact CG2-CG2 3.48Å; L122-I204 HydrophobicContact CD2-CB 4.24Å; L122-I204 HydrophobicContact CD2-CD1 4.12Å; L122-I204 HydrophobicContact CD2-CG1 3.81Å; L122-I204 HydrophobicContact CD2-CG2 3.93Å; L184-I204 HydrophobicContact CD2-CD1 4.35Å |
| 205 | Y | 93.5 | Very high | 92.3 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 15% | 0.145 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.1 | -177.9 | -79.2 | -113.8 | 0 | 0 | 0 | 111.1 | G54 P55 V84 K120 V121 F123 A203 | G54-Y205 VanDerWaalsContact O-CA 3.3Å; G54-Y205 WeakPolarHBondContact O-CA 3.49Å; P55-Y205 HydrophobicContact CB-CD1 4.35Å; P55-Y205 HydrophobicContact CB-CE1 3.91Å; P55-Y205 HydrophobicContact CB-CE2 4.07Å; P55-Y205 HydrophobicContact CG-CE1 4.3Å; V84-Y205 HydrophobicContact CG2-CE2 3.73Å; K120-Y205 PolarHBondContact N-O 2.8Å; K120-Y205 VanDerWaalsContact N-O 3.09Å; V121-Y205 PolarHBondContact N-O 3.21Å; V121-Y205 PolarHBondContact O-N 2.85Å; F123-Y205 AromaticContact CD2-CD2 3.56Å; F123-Y205 HydrophobicContact CD2-CD2 3.56Å; F123-Y205 AromaticContact CD2-CE2 3.62Å; F123-Y205 HydrophobicContact CD2-CE2 3.62Å; F123-Y205 HydrophobicContact CD2-CG 4.44Å; F123-Y205 HydrophobicContact CE2-CD1 4.43Å; F123-Y205 AromaticContact CE2-CD2 3.44Å; F123-Y205 HydrophobicContact CE2-CD2 3.44Å; F123-Y205 VanDerWaalsContact CE2-CD2 3.44Å; F123-Y205 HydrophobicContact CE2-CE1 4.47Å; F123-Y205 AromaticContact CE2-CE2 3.51Å; F123-Y205 HydrophobicContact CE2-CE2 3.51Å; F123-Y205 AromaticContact CE2-CG 3.93Å; F123-Y205 HydrophobicContact CE2-CG 3.93Å; A203-Y205 HydrophobicContact CB-CE2 4.12Å |
| 206 | G | 93.2 | Very high | 93 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | -158.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G54 L118 | G54-G206 PolarHBondContact N-O 3.42Å; G54-G206 PolarHBondContact O-N 2.91Å; L118-G206 CarbonylContact O-C 3.59Å; L118-G206 WeakPolarHBondContact O-CA 3.31Å |
| 207 | S | 93.2 | Very high | 93.5 | Very high | 21 Ų | 21 | 19 Ų | 19 | 15% | 0.147 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 172.1 | 176.3 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | N50 K117 L118 | N50-S207 PolarHBondContact ND2-OG 2.73Å; K117-S207 WeakPolarHBondContact CA-O 3.25Å; L118-S207 PolarHBondContact N-O 3.37Å; L118-S207 PolarHBondContact O-N 2.97Å |
| 208 | V | 93 | Very high | 93.8 | Very high | 66 Ų | 66 | 17.2 Ų | 17.2 | 40% | 0.4 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 132.8 | 170.7 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | N210 | V208-N210 VanDerWaalsContact CG1-OD1 3.29Å; V208-N210 WeakPolarHBondContact CG1-OD1 3.1Å; V208-N210 PolarHBondContact O-N 2.65Å |
| 209 | F | 94.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 1% | 0.013 | 9% | 0.092 | C | C | . | . | trans | -88.9 | 83.6 | 178.7 | -174.4 | -103.5 | 0 | 0 | 0 | 109.8 | L116 L118 I180 D211 V213 M277 | L116-F209 HydrophobicContact CB-CB 4.02Å; L116-F209 HydrophobicContact CB-CD1 4.18Å; L116-F209 HydrophobicContact CD1-CD1 4.06Å; L116-F209 PolarHBondContact O-N 2.77Å; L118-F209 HydrophobicContact CB-CB 4.46Å; L118-F209 HydrophobicContact CB-CD2 4.36Å; L118-F209 HydrophobicContact CD1-CD2 4.48Å; I180-F209 HydrophobicContact CD1-CD2 3.94Å; I180-F209 HydrophobicContact CD1-CE1 4.23Å; I180-F209 HydrophobicContact CD1-CE2 3.34Å; I180-F209 HydrophobicContact CD1-CZ 3.51Å; I180-F209 HydrophobicContact CG1-CD2 3.89Å; I180-F209 HydrophobicContact CG1-CE2 3.84Å; I180-F209 HydrophobicContact CG1-CG 4.34Å; I180-F209 HydrophobicContact CG1-CZ 4.25Å; I180-F209 HydrophobicContact CG2-CD1 3.75Å; I180-F209 HydrophobicContact CG2-CD2 4.36Å; I180-F209 HydrophobicContact CG2-CE1 3.93Å; I180-F209 HydrophobicContact CG2-CG 3.97Å; I180-F209 HydrophobicContact CG2-CZ 4.32Å; F209-D211 VanDerWaalsContact C-N 3.32Å; F209-D211 HydrophobicContact CE1-CB 4Å; F209-D211 HydrophobicContact CE2-CB 4.42Å; F209-D211 HydrophobicContact CZ-CB 3.91Å; F209-D211 PolarHBondContact O-N 3.06Å; F209-V213 HydrophobicContact CE1-CB 4.36Å; F209-V213 WeakPolarHBondContact CE1-O 3.48Å; F209-M277 HydrophobicContact CZ-SD 4.08Å | ||
| 210 | N | 92.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 19.7 Ų | 19.7 | 52% | 0.524 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27.5 | -171.5 | -72.9 | -15.1 | 0 | 0 | 0 | 113.8 | V208 G212 R325 | V208-N210 VanDerWaalsContact CG1-OD1 3.29Å; V208-N210 WeakPolarHBondContact CG1-OD1 3.1Å; V208-N210 PolarHBondContact O-N 2.65Å; N210-G212 VanDerWaalsContact C-N 3.25Å; N210-G212 PolarHBondContact O-N 3.22Å; N210-R325 PolarHBondContact O-NH1 2.89Å |
| 211 | D | 94 | Very high | 93.6 | Very high | 17 Ų | 17 | 20 Ų | 20 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.5 | 179.9 | -54.3 | 67.7 | 0 | 0 | 0 | 112.8 | F209 V213 K279 F321 T410 F411 | F209-D211 VanDerWaalsContact C-N 3.32Å; F209-D211 HydrophobicContact CE1-CB 4Å; F209-D211 HydrophobicContact CE2-CB 4.42Å; F209-D211 HydrophobicContact CZ-CB 3.91Å; F209-D211 PolarHBondContact O-N 3.06Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 HydrophobicContact CB-CG2 4.34Å; D211-V213 PolarHBondContact O-N 3.41Å; D211-K279 VanDerWaalsContact OD1-CE 3.23Å; D211-K279 WeakPolarHBondContact OD1-CE 3.23Å; D211-K279 IonicContact OD1-NZ 2.77Å; D211-K279 PolarHBondContact OD1-NZ 2.8Å; D211-K279 IonicContact OD2-NZ 3.56Å; D211-K279 PolarHBondContact OD2-NZ 3.1Å; D211-F321 WeakPolarHBondContact O-CD1 3.27Å; D211-F321 WeakPolarHBondContact O-CE1 3.41Å; D211-T410 VanDerWaalsContact OD2-CA 3.31Å; D211-T410 WeakPolarHBondContact OD2-CA 3.41Å; D211-F411 HydrophobicContact CB-CB 4.34Å; D211-F411 PolarHBondContact OD2-N 3.11Å |
| 212 | G | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | 79.9 | -3.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | N210 V214 F321 D322 R325 | N210-G212 VanDerWaalsContact C-N 3.25Å; N210-G212 PolarHBondContact O-N 3.22Å; G212-V214 PolarHBondContact O-N 2.86Å; G212-F321 WeakPolarHBondContact O-CA 3.5Å; G212-D322 PolarHBondContact O-N 2.98Å; G212-R325 VanDerWaalsContact CA-CZ 3.45Å | ||
| 213 | V | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 127.8 | 179.4 | -169.6 | 0 | 0 | 0 | 0 | 110.8 | F209 D211 L273 M277 F319 K320 F321 F411 | F209-V213 HydrophobicContact CE1-CB 4.36Å; F209-V213 WeakPolarHBondContact CE1-O 3.48Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 HydrophobicContact CB-CG2 4.34Å; D211-V213 PolarHBondContact O-N 3.41Å; V213-L273 HydrophobicContact CG1-CD2 3.83Å; V213-M277 HydrophobicContact CB-CE 4.42Å; V213-M277 HydrophobicContact CB-SD 3.96Å; V213-M277 HydrophobicContact CG1-CE 4.49Å; V213-M277 HydrophobicContact CG1-SD 4.36Å; V213-M277 HydrophobicContact CG2-CE 3.8Å; V213-M277 HydrophobicContact CG2-SD 3.79Å; V213-F319 HydrophobicContact CG1-CD1 4Å; V213-K320 WeakPolarHBondContact CA-O 3.34Å; V213-F321 HydrophobicContact CG2-CD1 4.06Å; V213-F321 HydrophobicContact CG2-CE1 3.48Å; V213-F321 VanDerWaalsContact CG2-CE1 3.48Å; V213-F321 HydrophobicContact CG2-CZ 3.89Å; V213-F411 HydrophobicContact CG2-CD2 3.63Å; V213-F411 HydrophobicContact CG2-CE2 3.82Å |
| 214 | V | 96.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -25.6 | 178.3 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | L116 R144 E145 G212 K320 D322 | L116-V214 HydrophobicContact CD1-CG1 3.94Å; R144-V214 HydrophobicContact CB-CB 4.42Å; R144-V214 HydrophobicContact CB-CG1 4.28Å; R144-V214 PolarHBondContact NE-O 3.37Å; E145-V214 HydrophobicContact CG-CB 4.03Å; E145-V214 HydrophobicContact CG-CG1 3.79Å; E145-V214 HydrophobicContact CG-CG2 4.16Å; G212-V214 PolarHBondContact O-N 2.86Å; V214-K320 HydrophobicContact CG2-CB 4.28Å; V214-K320 HydrophobicContact CG2-CD 3.78Å; V214-K320 HydrophobicContact CG2-CG 3.76Å; V214-K320 WeakPolarHBondContact CG2-O 3.24Å; V214-K320 PolarHBondContact N-O 3.34Å; V214-D322 HydrophobicContact CG1-CB 3.77Å |
| 215 | E | 96 | Very high | 92 | Very high | 45 Ų | 45 | 28.1 Ų | 28.1 | 21% | 0.21 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 153.5 | 168.9 | 59.1 | -158.3 | 169.8 | 0 | 0 | 110.1 | G271 G272 K320 | E215-G271 WeakPolarHBondContact OE2-CA 3.43Å; E215-G272 CarbonylContact C-O 3.46Å; E215-G272 VanDerWaalsContact CA-O 3.26Å; E215-G272 WeakPolarHBondContact CA-O 3.39Å; E215-K320 HydrophobicContact CG-CB 3.99Å; E215-K320 HydrophobicContact CG-CD 3.79Å; E215-K320 PolarHBondContact O-N 3.05Å; E215-K320 WeakPolarHBondContact OE1-CD 3.41Å; E215-K320 WeakPolarHBondContact OE1-CE 3.25Å; E215-K320 IonicContact OE1-NZ 3.67Å; E215-K320 PolarHBondContact OE1-NZ 3.22Å |
| 216 | Y | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.6 | 164.6 | 58.6 | -111.9 | 0 | 0 | 0 | 110.9 | I218 D236 Y239 G272 L273 G274 L275 L276 M277 L318 F319 | Y216-I218 HydrophobicContact CD2-CD1 4.26Å; Y216-I218 HydrophobicContact CD2-CG1 4.22Å; Y216-I218 HydrophobicContact CD2-CG2 3.89Å; Y216-I218 HydrophobicContact CE2-CD1 3.73Å; Y216-I218 HydrophobicContact CE2-CG1 4.13Å; Y216-I218 HydrophobicContact CE2-CG2 4.37Å; Y216-D236 PolarHBondContact OH-OD2 2.93Å; Y216-Y239 AromaticContact CD2-CE2 3.8Å; Y216-Y239 HydrophobicContact CD2-CE2 3.8Å; Y216-Y239 AromaticContact CE2-CD2 3.81Å; Y216-Y239 HydrophobicContact CE2-CD2 3.81Å; Y216-Y239 AromaticContact CE2-CE2 3.45Å; Y216-Y239 HydrophobicContact CE2-CE2 3.45Å; Y216-Y239 VanDerWaalsContact CE2-CE2 3.45Å; Y216-Y239 PolarHBondContact O-OH 2.99Å; Y216-G272 PolarHBondContact N-O 3.09Å; Y216-L273 HydrophobicContact CD1-CD2 3.59Å; Y216-L273 HydrophobicContact CE1-CB 4.49Å; Y216-L273 HydrophobicContact CE1-CD2 3.98Å; Y216-L273 HydrophobicContact CG-CD2 4.43Å; Y216-G274 WeakPolarHBondContact OH-CA 3.35Å; Y216-G274 PolarHBondContact OH-N 3.23Å; Y216-G274 PolarHBondContact OH-O 2.88Å; Y216-L275 PolarHBondContact OH-N 2.83Å; Y216-L276 HydrophobicContact CE1-CB 3.8Å; Y216-L276 HydrophobicContact CE2-CD1 4.23Å; Y216-L276 HydrophobicContact CE2-CG 4.47Å; Y216-L276 PolarHBondContact OH-N 2.91Å; Y216-L276 VanDerWaalsContact OH-N 3.1Å; Y216-M277 HydrophobicContact CD1-CG 3.8Å; Y216-M277 HydrophobicContact CE1-CB 4.08Å; Y216-M277 HydrophobicContact CE1-CG 3.63Å; Y216-L318 CarbonylContact C-O 3.59Å; Y216-L318 WeakPolarHBondContact CA-O 3.42Å; Y216-F319 HydrophobicContact CD1-CD1 4.35Å; Y216-F319 AromaticContact CD1-CE1 3.9Å; Y216-F319 HydrophobicContact CD1-CE1 3.9Å; Y216-F319 HydrophobicContact CG-CD1 4.36Å; Y216-F319 AromaticContact CG-CE1 3.99Å; Y216-F319 HydrophobicContact CG-CE1 3.99Å |
| 217 | S | 95 | Very high | 89.5 | Confident | 22 Ų | 22 | 35 Ų | 35 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.1 | 170 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | L269 T270 M317 L318 | S217-L269 CarbonylContact C-O 3.58Å; S217-L269 WeakPolarHBondContact CA-O 3.44Å; S217-L269 WeakPolarHBondContact CB-O 3.08Å; S217-T270 WeakPolarHBondContact OG-CB 3.42Å; S217-T270 PolarHBondContact OG-OG1 3.25Å; S217-M317 CarbonylContact O-C 3.47Å; S217-M317 WeakPolarHBondContact O-CA 3.5Å; S217-L318 PolarHBondContact N-O 3.13Å; S217-L318 PolarHBondContact O-N 2.92Å |
| 218 | I | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.9 | -176.1 | 60.8 | 175.3 | 0 | 0 | 0 | 110.9 | Y216 Y268 L269 L276 V300 W302 M317 | Y216-I218 HydrophobicContact CD2-CD1 4.26Å; Y216-I218 HydrophobicContact CD2-CG1 4.22Å; Y216-I218 HydrophobicContact CD2-CG2 3.89Å; Y216-I218 HydrophobicContact CE2-CD1 3.73Å; Y216-I218 HydrophobicContact CE2-CG1 4.13Å; Y216-I218 HydrophobicContact CE2-CG2 4.37Å; I218-Y268 VanDerWaalsContact C-CD1 3.45Å; I218-Y268 WeakPolarHBondContact O-CA 3.46Å; I218-Y268 WeakPolarHBondContact O-CD1 3.4Å; I218-L269 HydrophobicContact CD1-CD1 4.1Å; I218-L269 HydrophobicContact CG1-CB 4.01Å; I218-L269 HydrophobicContact CG1-CD1 4.04Å; I218-L269 PolarHBondContact N-O 2.8Å; I218-L269 PolarHBondContact O-N 2.95Å; I218-L276 HydrophobicContact CD1-CD1 3.85Å; I218-L276 HydrophobicContact CG2-CD1 4.16Å; I218-V300 HydrophobicContact CD1-CG1 4.37Å; I218-W302 HydrophobicContact CB-CZ2 4.32Å; I218-W302 HydrophobicContact CD1-CZ2 4.25Å; I218-M317 HydrophobicContact CG2-CB 3.99Å; I218-M317 HydrophobicContact CG2-CG 3.74Å; I218-M317 HydrophobicContact CG2-SD 3.91Å |
| 219 | P | 92.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 148.8 | 170.3 | -17.9 | 31.7 | 0 | 0 | 0 | 110.8 | G221 Y268 W302 I315 T316 | P219-G221 PolarHBondContact O-N 3.45Å; P219-Y268 HydrophobicContact CB-CE1 4.31Å; P219-Y268 HydrophobicContact CG-CD1 4.44Å; P219-Y268 HydrophobicContact CG-CE1 3.7Å; P219-W302 PolarHBondContact O-NE1 2.84Å; P219-I315 HydrophobicContact CG-CG2 4.08Å; P219-T316 WeakPolarHBondContact CD-O 3.43Å |
| 220 | E | 90.3 | Very high | 85.5 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -58 | 130.8 | 175.4 | -170.6 | 178 | -174.2 | 0 | 0 | 111.5 | L243 S267 T309 | E220-L243 HydrophobicContact CB-CD1 4.12Å; E220-L243 HydrophobicContact CG-CD1 4.1Å; E220-S267 PolarHBondContact N-O 3.12Å; E220-S267 WeakPolarHBondContact OE2-CB 3.27Å; E220-S267 PolarHBondContact OE2-OG 2.84Å; E220-T309 WeakPolarHBondContact O-CG2 3.35Å |
| 221 | G | 90.5 | Very high | 84.6 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 151.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P219 L234 | P219-G221 PolarHBondContact O-N 3.45Å; G221-L234 WeakPolarHBondContact CA-O 3.23Å |
| 222 | D | 89.5 | Confident | 83.7 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -97 | 162.3 | -168.5 | -80.3 | -44.9 | 0 | 0 | 0 | 114.8 | L234 G301 F303 K306 T309 W403 | D222-L234 WeakPolarHBondContact O-CB 3.38Å; D222-L234 PolarHBondContact O-N 3.25Å; D222-G301 PolarHBondContact N-O 2.87Å; D222-F303 HydrophobicContact CB-CB 4.27Å; D222-F303 PolarHBondContact OD2-N 3.2Å; D222-K306 WeakPolarHBondContact OD1-CD 3.32Å; D222-K306 VanDerWaalsContact OD1-CE 3.28Å; D222-K306 WeakPolarHBondContact OD1-CE 3.44Å; D222-K306 IonicContact OD1-NZ 2.88Å; D222-K306 PolarHBondContact OD1-NZ 3.43Å; D222-T309 PolarHBondContact OD2-OG1 3.43Å; D222-W403 HydrophobicContact CB-CH2 3.8Å; D222-W403 HydrophobicContact CB-CZ3 3.64Å |
| 223 | V | 85.9 | Confident | 83.2 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 26% | 0.261 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.2 | 179.4 | -176.4 | 0 | 0 | 0 | 0 | 110 | R225 E231 F232 V233 W403 | V223-R225 HydrophobicContact CG1-CG 4.44Å; V223-R225 PolarHBondContact O-N 2.87Å; V223-E231 HydrophobicContact CG1-CB 3.8Å; V223-E231 HydrophobicContact CG1-CG 4.49Å; V223-F232 CarbonylContact C-O 3.54Å; V223-F232 WeakPolarHBondContact CA-O 3.44Å; V223-V233 HydrophobicContact CG2-CG1 4.3Å; V223-V233 HydrophobicContact CG2-CG2 4.3Å; V223-W403 WeakPolarHBondContact O-CH2 3.47Å |
| 224 | Y | 83.8 | Confident | 82.9 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 111.4 | 176 | -170.2 | -102.8 | 0 | 0 | 0 | 110.2 | L226 E231 F232 L234 L286 I341 W403 | Y224-L226 HydrophobicContact CD1-CD1 4.41Å; Y224-L226 HydrophobicContact CD1-CG 4.06Å; Y224-L226 HydrophobicContact CE1-CD1 4.03Å; Y224-L226 HydrophobicContact CE1-CD2 3.7Å; Y224-L226 HydrophobicContact CE1-CG 3.65Å; Y224-E231 WeakPolarHBondContact O-CA 3.19Å; Y224-F232 PolarHBondContact N-O 2.77Å; Y224-F232 PolarHBondContact O-N 2.96Å; Y224-L234 HydrophobicContact CD2-CD1 4.4Å; Y224-L234 HydrophobicContact CG-CD1 4.29Å; Y224-L286 HydrophobicContact CD1-CD1 4.46Å; Y224-L286 HydrophobicContact CE1-CD1 4.43Å; Y224-I341 HydrophobicContact CE2-CD1 3.95Å; Y224-I341 HydrophobicContact CE2-CG1 4.14Å; Y224-W403 VanDerWaalsContact CA-CH2 3.5Å; Y224-W403 AromaticContact CD2-CD2 3.69Å; Y224-W403 HydrophobicContact CD2-CD2 3.69Å; Y224-W403 AromaticContact CD2-CE2 3.47Å; Y224-W403 VanDerWaalsContact CD2-CE2 3.47Å; Y224-W403 HydrophobicContact CD2-CE3 4.05Å; Y224-W403 HydrophobicContact CD2-CG 4.21Å; Y224-W403 HydrophobicContact CD2-CH2 4.07Å; Y224-W403 AromaticContact CD2-CZ2 3.7Å; Y224-W403 HydrophobicContact CD2-CZ2 3.7Å; Y224-W403 HydrophobicContact CD2-CZ3 4.22Å; Y224-W403 AromaticContact CD2-NE1 3.81Å; Y224-W403 AromaticContact CE2-CD1 3.94Å; Y224-W403 HydrophobicContact CE2-CD2 4.12Å; Y224-W403 AromaticContact CE2-CE2 3.94Å; Y224-W403 HydrophobicContact CE2-CG 4.16Å; Y224-W403 AromaticContact CE2-NE1 3.79Å; Y224-W403 HydrophobicContact CG-CZ2 4.42Å |
| 225 | R | 78.3 | Confident | 82.6 | Confident | 152 Ų | 152 | 49.4 Ų | 49.4 | 57% | 0.574 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.9 | -177.2 | -67 | -169.9 | 160.7 | 77.4 | 20.6 | 110.7 | V223 E231 | V223-R225 HydrophobicContact CG1-CG 4.44Å; V223-R225 PolarHBondContact O-N 2.87Å; R225-E231 HydrophobicContact CG-CG 4.06Å; R225-E231 IonicContact CZ-OE1 2.69Å; R225-E231 IonicContact CZ-OE2 2.72Å; R225-E231 IonicContact NE-OE1 3.54Å; R225-E231 PolarHBondContact NE-OE1 2.83Å; R225-E231 IonicContact NE-OE2 3.75Å; R225-E231 PolarHBondContact NE-OE2 3.07Å; R225-E231 VanDerWaalsContact NH2-CD 3.34Å; R225-E231 IonicContact NH2-OE1 2.95Å; R225-E231 PolarHBondContact NH2-OE1 2.92Å; R225-E231 IonicContact NH2-OE2 2.86Å; R225-E231 PolarHBondContact NH2-OE2 3.46Å |
| 226 | L | 68.9 | Low | 82.4 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 95.1 | 166.8 | -70.3 | 168.7 | 0 | 0 | 0 | 107.5 | Y224 P228 R229 G230 F232 | Y224-L226 HydrophobicContact CD1-CD1 4.41Å; Y224-L226 HydrophobicContact CD1-CG 4.06Å; Y224-L226 HydrophobicContact CE1-CD1 4.03Å; Y224-L226 HydrophobicContact CE1-CD2 3.7Å; Y224-L226 HydrophobicContact CE1-CG 3.65Å; L226-P228 CarbonylContact O-C 3.55Å; L226-R229 HydrophobicContact CB-CB 4.07Å; L226-R229 CarbonylContact O-C 3.29Å; L226-R229 WeakPolarHBondContact O-CA 3.5Å; L226-R229 PolarHBondContact O-N 3.02Å; L226-G230 CarbonylContact C-O 3.58Å; L226-G230 PolarHBondContact N-O 2.9Å; L226-G230 PolarHBondContact O-N 3.5Å; L226-G230 VanDerWaalsContact O-O 3.13Å; L226-F232 HydrophobicContact CD1-CD2 4.32Å; L226-F232 HydrophobicContact CD1-CE2 4.08Å |
| 227 | D | 64 | Low | 82 | Confident | 152 Ų | 152 | 50.9 Ų | 50.9 | 81% | 0.813 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 130.9 | 176.4 | -166 | 2.4 | 0 | 0 | 0 | 110.2 | ||
| 228 | P | 63.7 | Low | 81.8 | Confident | 121 Ų | 121 | 50.5 Ų | 50.5 | 79% | 0.786 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.7 | 30.1 | -7.1 | 40.5 | -35.9 | 0 | 0 | 0 | 112.9 | L226 | L226-P228 CarbonylContact O-C 3.55Š|
| 229 | R | 63.3 | Low | 81.8 | Confident | 125 Ų | 125 | 51.2 Ų | 51.2 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -25.1 | -167.3 | -55.7 | 173.8 | 178.3 | -178.2 | -10.5 | 114.2 | L226 E288 | L226-R229 HydrophobicContact CB-CB 4.07Å; L226-R229 CarbonylContact O-C 3.29Å; L226-R229 WeakPolarHBondContact O-CA 3.5Å; L226-R229 PolarHBondContact O-N 3.02Å; R229-E288 WeakPolarHBondContact CD-O 3.47Å; R229-E288 IonicContact CZ-OE1 3.24Å; R229-E288 IonicContact NH1-OE1 3.85Å; R229-E288 PolarHBondContact NH1-OE1 3.2Å; R229-E288 IonicContact NH2-OE1 3.24Å |
| 230 | G | 68.9 | Low | 81.9 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.1 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L226 | L226-G230 CarbonylContact C-O 3.58Å; L226-G230 PolarHBondContact N-O 2.9Å; L226-G230 PolarHBondContact O-N 3.5Å; L226-G230 VanDerWaalsContact O-O 3.13Å |
| 231 | E | 74.6 | Confident | 82 | Confident | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.3 | 167.3 | -55.6 | -161.8 | 171 | 0 | 0 | 109 | V223 Y224 R225 | V223-E231 HydrophobicContact CG1-CB 3.8Å; V223-E231 HydrophobicContact CG1-CG 4.49Å; Y224-E231 WeakPolarHBondContact O-CA 3.19Å; R225-E231 HydrophobicContact CG-CG 4.06Å; R225-E231 IonicContact CZ-OE1 2.69Å; R225-E231 IonicContact CZ-OE2 2.72Å; R225-E231 IonicContact NE-OE1 3.54Å; R225-E231 PolarHBondContact NE-OE1 2.83Å; R225-E231 IonicContact NE-OE2 3.75Å; R225-E231 PolarHBondContact NE-OE2 3.07Å; R225-E231 VanDerWaalsContact NH2-CD 3.34Å; R225-E231 IonicContact NH2-OE1 2.95Å; R225-E231 PolarHBondContact NH2-OE1 2.92Å; R225-E231 IonicContact NH2-OE2 2.86Å; R225-E231 PolarHBondContact NH2-OE2 3.46Å |
| 232 | F | 75.7 | Confident | 82.1 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.6 | 173.5 | -69.4 | -81.3 | 0 | 0 | 0 | 109.6 | V223 Y224 L226 L234 P287 I290 | V223-F232 CarbonylContact C-O 3.54Å; V223-F232 WeakPolarHBondContact CA-O 3.44Å; Y224-F232 PolarHBondContact N-O 2.77Å; Y224-F232 PolarHBondContact O-N 2.96Å; L226-F232 HydrophobicContact CD1-CD2 4.32Å; L226-F232 HydrophobicContact CD1-CE2 4.08Å; F232-L234 HydrophobicContact CB-CD2 4.26Å; F232-P287 HydrophobicContact CD1-CG 4.28Å; F232-P287 HydrophobicContact CE1-CB 4.39Å; F232-P287 HydrophobicContact CE1-CG 3.58Å; F232-P287 HydrophobicContact CE2-CG 4.2Å; F232-P287 WeakPolarHBondContact CE2-O 3.21Å; F232-P287 HydrophobicContact CZ-CB 3.93Å; F232-P287 HydrophobicContact CZ-CG 3.53Å; F232-P287 WeakPolarHBondContact CZ-O 3.38Å; F232-I290 HydrophobicContact CE1-CG1 3.91Å; F232-I290 HydrophobicContact CE2-CG1 3.92Å; F232-I290 HydrophobicContact CZ-CB 4.37Å; F232-I290 HydrophobicContact CZ-CG1 3.47Å; F232-I290 VanDerWaalsContact CZ-CG1 3.47Å |
| 233 | V | 84 | Confident | 82.2 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 117.5 | 174.7 | -166.6 | 0 | 0 | 0 | 0 | 108.2 | V223 N235 | V223-V233 HydrophobicContact CG2-CG1 4.3Å; V223-V233 HydrophobicContact CG2-CG2 4.3Å; V233-N235 VanDerWaalsContact C-N 3.32Å; V233-N235 HydrophobicContact CG1-CB 3.87Å; V233-N235 VanDerWaalsContact CG1-CG 3.4Å; V233-N235 VanDerWaalsContact CG1-OD1 3.31Å; V233-N235 WeakPolarHBondContact CG1-OD1 3.19Å; V233-N235 PolarHBondContact O-N 3.09Å |
| 234 | L | 89.2 | Confident | 82.1 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -98.4 | 49.4 | 178.4 | -50.1 | -173.1 | 0 | 0 | 0 | 110.3 | G221 D222 Y224 F232 L286 P297 V299 V300 G301 W403 V405 | G221-L234 WeakPolarHBondContact CA-O 3.23Å; D222-L234 WeakPolarHBondContact O-CB 3.38Å; D222-L234 PolarHBondContact O-N 3.25Å; Y224-L234 HydrophobicContact CD2-CD1 4.4Å; Y224-L234 HydrophobicContact CG-CD1 4.29Å; F232-L234 HydrophobicContact CB-CD2 4.26Å; L234-L286 HydrophobicContact CD1-CD1 4.37Å; L234-P297 HydrophobicContact CD2-CG 4.47Å; L234-V299 HydrophobicContact CD2-CG2 3.96Å; L234-V300 WeakPolarHBondContact O-CA 3.31Å; L234-G301 PolarHBondContact O-N 3.27Å; L234-W403 HydrophobicContact CD1-CE3 4.25Å; L234-W403 HydrophobicContact CD1-CZ3 4.11Å; L234-V405 HydrophobicContact CD1-CG1 4.3Å; L234-V405 HydrophobicContact CD1-CG2 3.89Å | ||
| 235 | N | 90.2 | Very high | 81.8 | Confident | 46 Ų | 46 | 59 Ų | 59 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -103.7 | 161.2 | 179.5 | 73.3 | -21.2 | 0 | 0 | 0 | 112.2 | V233 T237 | V233-N235 VanDerWaalsContact C-N 3.32Å; V233-N235 HydrophobicContact CG1-CB 3.87Å; V233-N235 VanDerWaalsContact CG1-CG 3.4Å; V233-N235 VanDerWaalsContact CG1-OD1 3.31Å; V233-N235 WeakPolarHBondContact CG1-OD1 3.19Å; V233-N235 PolarHBondContact O-N 3.09Å; N235-T237 VanDerWaalsContact C-N 3.26Å; N235-T237 PolarHBondContact O-N 3.29Å; N235-T237 VanDerWaalsContact OD1-CG2 3.31Å; N235-T237 WeakPolarHBondContact OD1-CG2 3.43Å |
| 236 | D | 92.7 | Very high | 81.1 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | trans | -75 | 77.6 | 178.3 | -165.6 | -18.8 | 0 | 0 | 0 | 111.2 | Y216 N238 Y239 L269 G274 L275 V300 | Y216-D236 PolarHBondContact OH-OD2 2.93Å; D236-N238 PolarHBondContact O-N 3.17Å; D236-N238 VanDerWaalsContact O-N 3.14Å; D236-Y239 WeakPolarHBondContact O-CB 3.33Å; D236-Y239 PolarHBondContact O-N 2.92Å; D236-Y239 PolarHBondContact OD1-N 2.78Å; D236-Y239 VanDerWaalsContact OD1-N 3.16Å; D236-Y239 WeakPolarHBondContact OD2-CD2 3.28Å; D236-L269 HydrophobicContact CB-CD1 3.72Å; D236-G274 WeakPolarHBondContact OD1-CA 3.42Å; D236-L275 WeakPolarHBondContact OD1-CG 3.13Å; D236-L275 PolarHBondContact OD1-N 3.02Å; D236-L275 PolarHBondContact OD2-N 3.46Å; D236-V300 HydrophobicContact CB-CG2 4Å | ||
| 237 | T | 88.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.4 | -176.7 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | R154 N235 | R154-T237 PolarHBondContact NH2-O 2.73Å; R154-T237 VanDerWaalsContact NH2-O 3.09Å; N235-T237 VanDerWaalsContact C-N 3.26Å; N235-T237 PolarHBondContact O-N 3.29Å; N235-T237 VanDerWaalsContact OD1-CG2 3.31Å; N235-T237 WeakPolarHBondContact OD1-CG2 3.43Å |
| 238 | N | 89.8 | Confident | 80 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2 | -177.7 | -84.2 | 106.9 | 0 | 0 | 0 | 114.3 | R156 P177 D236 D240 L275 | R156-N238 PolarHBondContact NH1-OD1 2.69Å; P177-N238 WeakPolarHBondContact CD-ND2 2.96Å; P177-N238 HydrophobicContact CG-CB 4.16Å; D236-N238 PolarHBondContact O-N 3.17Å; D236-N238 VanDerWaalsContact O-N 3.14Å; N238-D240 PolarHBondContact O-N 2.8Å; N238-L275 HydrophobicContact CB-CD2 3.74Å; N238-L275 HydrophobicContact CB-CG 4.38Å |
| 239 | Y | 94.5 | Very high | 79.3 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | trans | -52.6 | 133.6 | 178.8 | -160.3 | -109.7 | 0 | 0 | 0 | 112.7 | R154 Y216 D236 G241 L269 T270 G271 G272 L273 | R154-Y239 PolarHBondContact NH2-O 3.18Å; Y216-Y239 AromaticContact CD2-CE2 3.8Å; Y216-Y239 HydrophobicContact CD2-CE2 3.8Å; Y216-Y239 AromaticContact CE2-CD2 3.81Å; Y216-Y239 HydrophobicContact CE2-CD2 3.81Å; Y216-Y239 AromaticContact CE2-CE2 3.45Å; Y216-Y239 HydrophobicContact CE2-CE2 3.45Å; Y216-Y239 VanDerWaalsContact CE2-CE2 3.45Å; Y216-Y239 PolarHBondContact O-OH 2.99Å; D236-Y239 WeakPolarHBondContact O-CB 3.33Å; D236-Y239 PolarHBondContact O-N 2.92Å; D236-Y239 PolarHBondContact OD1-N 2.78Å; D236-Y239 VanDerWaalsContact OD1-N 3.16Å; D236-Y239 WeakPolarHBondContact OD2-CD2 3.28Å; Y239-G241 VanDerWaalsContact CD1-N 3.34Å; Y239-L269 HydrophobicContact CD1-CB 3.97Å; Y239-L269 HydrophobicContact CD1-CD2 3.74Å; Y239-L269 HydrophobicContact CD1-CG 4.31Å; Y239-L269 HydrophobicContact CE1-CB 3.7Å; Y239-L269 HydrophobicContact CE1-CD2 4.22Å; Y239-L269 HydrophobicContact CE2-CB 4.35Å; Y239-L269 HydrophobicContact CG-CB 4.39Å; Y239-L269 HydrophobicContact CG-CD1 4.38Å; Y239-L269 HydrophobicContact CG-CD2 4.24Å; Y239-T270 WeakPolarHBondContact OH-CA 3.43Å; Y239-T270 PolarHBondContact OH-N 3.49Å; Y239-T270 PolarHBondContact OH-O 2.9Å; Y239-G271 PolarHBondContact OH-N 3.22Å; Y239-G272 VanDerWaalsContact CE2-C 3.44Å; Y239-G272 WeakPolarHBondContact CE2-O 3.23Å; Y239-G272 PolarHBondContact OH-N 2.98Å; Y239-G272 PolarHBondContact OH-O 2.95Å; Y239-L273 CarbonylContact C-O 3.51Å; Y239-L273 WeakPolarHBondContact CA-O 3.46Å; Y239-L273 WeakPolarHBondContact CD2-O 3.22Å | ||
| 240 | D | 94.2 | Very high | 78.5 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | trans | -102 | -2.3 | -177.4 | 73.9 | 17.1 | 0 | 0 | 0 | 114.2 | Y142 R144 Y151 N238 G272 L273 | Y142-D240 PolarHBondContact OH-OD2 3.25Å; Y142-D240 VanDerWaalsContact OH-OD2 3.05Å; R144-D240 IonicContact CZ-OD1 3.54Å; R144-D240 IonicContact CZ-OD2 3.44Å; R144-D240 VanDerWaalsContact CZ-OD2 3.32Å; R144-D240 IonicContact NH1-OD1 2.78Å; R144-D240 IonicContact NH1-OD2 2.7Å; R144-D240 PolarHBondContact NH1-OD2 2.96Å; R144-D240 IonicContact NH2-OD1 3.41Å; R144-D240 PolarHBondContact NH2-OD1 3.5Å; R144-D240 IonicContact NH2-OD2 2.7Å; R144-D240 PolarHBondContact NH2-OD2 2.83Å; Y151-D240 HydrophobicContact CD1-CB 3.86Å; Y151-D240 VanDerWaalsContact CD1-CG 3.42Å; Y151-D240 WeakPolarHBondContact CD1-O 3.37Å; Y151-D240 WeakPolarHBondContact CD1-OD1 2.99Å; Y151-D240 HydrophobicContact CE1-CB 4.38Å; Y151-D240 WeakPolarHBondContact CE1-OD1 3.44Å; N238-D240 PolarHBondContact O-N 2.8Å; D240-G272 WeakPolarHBondContact OD1-CA 3.1Å; D240-L273 PolarHBondContact N-O 2.88Å; D240-L273 PolarHBondContact OD1-N 3.21Å | ||
| 241 | G | 93.2 | Very high | 77.3 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -90.2 | -145.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y239 G271 | Y239-G241 VanDerWaalsContact CD1-N 3.34Å; G241-G271 VanDerWaalsContact CA-O 3.25Å; G241-G271 WeakPolarHBondContact CA-O 3.23Å |
| 242 | V | 92.1 | Very high | 75.9 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138 | -175.4 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | I244 T270 | V242-I244 HydrophobicContact CG1-CG1 4.22Å; V242-T270 PolarHBondContact N-O 3.42Å; V242-T270 PolarHBondContact O-N 3.3Å |
| 243 | L | 90.5 | Very high | 74.3 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 109.3 | 166.3 | -177.4 | 68.7 | 0 | 0 | 0 | 109 | E220 L269 | E220-L243 HydrophobicContact CB-CD1 4.12Å; E220-L243 HydrophobicContact CG-CD1 4.1Å; L243-L269 HydrophobicContact CB-CD2 4.06Å; L243-L269 HydrophobicContact CD1-CD2 3.73Å; L243-L269 HydrophobicContact CD1-CG 4.1Å; L243-L269 HydrophobicContact CG-CD2 4.49Å |
| 244 | I | 85.3 | Confident | 72.2 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 113.1 | 172.4 | -60.5 | -174.7 | 0 | 0 | 0 | 108.3 | V242 Y268 T270 | V242-I244 HydrophobicContact CG1-CG1 4.22Å; I244-Y268 PolarHBondContact N-O 3.46Å; I244-Y268 PolarHBondContact O-N 3.14Å; I244-T270 HydrophobicContact CD1-CG2 3.47Å; I244-T270 VanDerWaalsContact CD1-CG2 3.47Å; I244-T270 HydrophobicContact CG1-CG2 3.87Å |
| 245 | S | 76.4 | Confident | 70 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | trans | -101.7 | 138.7 | 167.5 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | E247 S248 | S245-E247 PolarHBondContact O-N 3.01Å; S245-S248 PolarHBondContact O-N 3.06Å; S245-S248 VanDerWaalsContact O-N 3.12Å; S245-S248 PolarHBondContact O-OG 2.87Å | ||
| 246 | P | 63.7 | Low | 67.9 | Low | 18 Ų | 18 | 77.5 Ų | 77.5 | 12% | 0.117 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 16.9 | -179 | 23.9 | -32.6 | 0 | 0 | 0 | 115.4 | R265 T266 M452 | P246-R265 HydrophobicContact CB-CG 4.35Å; P246-R265 HydrophobicContact CG-CB 3.66Å; P246-R265 HydrophobicContact CG-CG 3.87Å; P246-T266 VanDerWaalsContact CD-O 3.27Å; P246-T266 WeakPolarHBondContact CD-O 3.16Å; P246-M452 HydrophobicContact CB-CE 3.74Å; P246-M452 HydrophobicContact CB-SD 4.35Å; P246-M452 HydrophobicContact CG-CE 4.13Å |
| 247 | E | 57.8 | Low | 65.6 | Low | 76 Ų | 76 | 84.9 Ų | 84.9 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -24.6 | 170.3 | -167.3 | 169.6 | 157.9 | 0 | 0 | 111.9 | S245 S249 L250 Q632 | S245-E247 PolarHBondContact O-N 3.01Å; E247-S249 PolarHBondContact O-N 2.85Å; E247-L250 PolarHBondContact O-N 2.82Å; E247-Q632 PolarHBondContact OE2-NE2 2.7Å |
| 248 | S | 51.3 | Low | 63.2 | Low | 85 Ų | 85 | 87.1 Ų | 87.1 | 59% | 0.594 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -69.7 | -30.7 | -178.8 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | S245 | S245-S248 PolarHBondContact O-N 3.06Å; S245-S248 VanDerWaalsContact O-N 3.12Å; S245-S248 PolarHBondContact O-OG 2.87Å |
| 249 | S | 48.8 | Very low | 60.8 | Low | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -83 | -10.5 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | E247 | E247-S249 PolarHBondContact O-N 2.85Š|
| 250 | L | 48.1 | Very low | 58.4 | Low | 98 Ų | 98 | 101.1 Ų | 101.1 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -95.2 | 7.1 | -169.6 | -140.4 | 77 | 0 | 0 | 0 | 114.9 | E247 N252 | E247-L250 PolarHBondContact O-N 2.82Å; L250-N252 VanDerWaalsContact C-N 3.31Å; L250-N252 PolarHBondContact O-N 2.69Å |
| 251 | M | 43.6 | Very low | 56.1 | Low | 146 Ų | 146 | 106.4 Ų | 106.4 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -78.4 | -8 | 177.6 | -75.3 | -163.3 | 171.5 | 0 | 0 | 114.6 | ||
| 252 | N | 43.5 | Very low | 53.6 | Low | 155 Ų | 155 | 114.4 Ų | 114.4 | 83% | 0.829 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -111.5 | 20.6 | -172.2 | -87.9 | -2.3 | 0 | 0 | 0 | 115.9 | L250 | L250-N252 VanDerWaalsContact C-N 3.31Å; L250-N252 PolarHBondContact O-N 2.69Å |
| 253 | T | 43.7 | Very low | 51.3 | Low | 86 Ų | 86 | 117.1 Ų | 117.1 | 53% | 0.528 | 61% | 0.608 | S | S | . | * | trans | -135.5 | 113.6 | 168 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | T255 | T253-T255 PolarHBondContact O-N 3.04Š| ||
| 254 | N | 38.8 | Very low | 49.3 | Very low | 181 Ų | 181 | 116.1 Ų | 116.1 | 97% | 0.968 | 60% | 0.601 | S | S | * | * | trans | -79.7 | 52.2 | 171.5 | -81.6 | -36.4 | 0 | 0 | 0 | 112.2 | ||||
| 255 | T | 43.9 | Very low | 48 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 64% | 0.644 | 62% | 0.615 | S | S | * | * | trans | -111.8 | 99.5 | 176.5 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | T253 E257 | T253-T255 PolarHBondContact O-N 3.04Å; T255-E257 PolarHBondContact O-N 3.21Å | ||
| 256 | K | 46 | Very low | 47.5 | Very low | 206 Ų | 206 | 118.6 Ų | 118.6 | 90% | 0.896 | 60% | 0.603 | S | S | * | * | trans | -79.3 | 17.8 | -171.4 | -141.9 | 173.5 | -173.8 | 177.4 | 0 | 114.1 | ||||
| 257 | E | 43.5 | Very low | 48.4 | Very low | 165 Ų | 165 | 119 Ų | 119 | 77% | 0.771 | 61% | 0.606 | S | S | * | * | trans | -128.4 | 90.3 | -165.2 | -63.7 | -178.6 | 167.2 | 0 | 0 | 110.3 | T255 | T255-E257 PolarHBondContact O-N 3.21Š| ||
| 258 | N | 39.2 | Very low | 49.9 | Very low | 114 Ų | 114 | 116.1 Ų | 116.1 | 61% | 0.61 | 59% | 0.592 | S | S | * | * | trans | 174.6 | 45.1 | 156.2 | -102.2 | -84.2 | 0 | 0 | 0 | 109.8 | D260 K261 | N258-D260 VanDerWaalsContact C-N 3.28Å; N258-D260 PolarHBondContact O-N 3.25Å; N258-K261 WeakPolarHBondContact OD1-CD 3.31Å; N258-K261 WeakPolarHBondContact OD1-CE 3.12Å; N258-K261 PolarHBondContact OD1-NZ 2.98Å; N258-K261 VanDerWaalsContact OD1-NZ 3.09Å | ||
| 259 | M | 39.2 | Very low | 51.9 | Low | 159 Ų | 159 | 113 Ų | 113 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -21.4 | -175.2 | -77.7 | -66.6 | -65.9 | 0 | 0 | 114.3 | K261 | M259-K261 VanDerWaalsContact C-N 3.3Å; M259-K261 PolarHBondContact O-N 2.98Å |
| 260 | D | 43.2 | Very low | 54 | Low | 163 Ų | 163 | 110.7 Ų | 110.7 | 87% | 0.872 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -2.1 | -175.4 | -57.2 | -51.5 | 0 | 0 | 0 | 114.2 | N258 Q262 | N258-D260 VanDerWaalsContact C-N 3.28Å; N258-D260 PolarHBondContact O-N 3.25Å; D260-Q262 PolarHBondContact O-N 2.94Å |
| 261 | K | 45.6 | Very low | 56.1 | Low | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | trans | -95 | 71.1 | 173.9 | -71.1 | 178.7 | -176.3 | 155.9 | 0 | 111.3 | N258 M259 Q263 | N258-K261 WeakPolarHBondContact OD1-CD 3.31Å; N258-K261 WeakPolarHBondContact OD1-CE 3.12Å; N258-K261 PolarHBondContact OD1-NZ 2.98Å; N258-K261 VanDerWaalsContact OD1-NZ 3.09Å; M259-K261 VanDerWaalsContact C-N 3.3Å; M259-K261 PolarHBondContact O-N 2.98Å; K261-Q263 PolarHBondContact O-N 3.47Å | ||
| 262 | Q | 40.8 | Very low | 58.5 | Low | 189 Ų | 189 | 99.8 Ų | 99.8 | 88% | 0.883 | 50% | 0.5 | S | S | * | . | trans | -68.4 | 17.2 | 168.3 | -65.4 | -171 | -3.8 | 0 | 0 | 113.8 | D260 Q264 | D260-Q262 PolarHBondContact O-N 2.94Å; Q262-Q264 PolarHBondContact O-N 3.4Å | ||
| 263 | Q | 43.5 | Very low | 61 | Low | 136 Ų | 136 | 92.7 Ų | 92.7 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | trans | -78.6 | 97.5 | -174.4 | -75.1 | 175.5 | -24.5 | 0 | 0 | 111.2 | K261 | K261-Q263 PolarHBondContact O-N 3.47Š| ||
| 264 | Q | 50.3 | Low | 63.5 | Low | 59 Ų | 59 | 89 Ų | 89 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | trans | 68.8 | 75 | 145.2 | -51.6 | 173.9 | -0 | 0 | 0 | 115.2 | Q262 T266 P311 Y312 | Q262-Q264 PolarHBondContact O-N 3.4Å; Q264-T266 PolarHBondContact O-N 3.01Å; Q264-P311 HydrophobicContact CB-CB 4.34Å; Q264-P311 HydrophobicContact CB-CG 4.48Å; Q264-P311 HydrophobicContact CG-CB 3.61Å; Q264-P311 HydrophobicContact CG-CG 4.22Å; Q264-Y312 VanDerWaalsContact OE1-CE2 3.27Å; Q264-Y312 PolarHBondContact OE1-OH 2.83Å | ||
| 265 | R | 57.1 | Low | 66.1 | Low | 120 Ų | 120 | 80.5 Ų | 80.5 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | trans | -86.8 | 86.8 | 163.5 | -75.8 | -172.2 | -179.9 | 178.4 | 0.4 | 110.3 | P246 | P246-R265 HydrophobicContact CB-CG 4.35Å; P246-R265 HydrophobicContact CG-CB 3.66Å; P246-R265 HydrophobicContact CG-CG 3.87Å | ||
| 266 | T | 65.8 | Low | 68.6 | Low | 10 Ų | 10 | 75.5 Ų | 75.5 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | trans | -94.2 | 126.5 | 176.8 | 38.1 | 0 | 0 | 0 | 0 | 111.3 | P246 Q264 T308 P311 | P246-T266 VanDerWaalsContact CD-O 3.27Å; P246-T266 WeakPolarHBondContact CD-O 3.16Å; Q264-T266 PolarHBondContact O-N 3.01Å; T266-T308 WeakPolarHBondContact CA-O 3.23Å; T266-T308 WeakPolarHBondContact CG2-O 3.48Å; T266-P311 HydrophobicContact CG2-CG 4.13Å | ||
| 267 | S | 83 | Confident | 71 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | -79.6 | 136.9 | 170.4 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | E220 | E220-S267 PolarHBondContact N-O 3.12Å; E220-S267 WeakPolarHBondContact OE2-CB 3.27Å; E220-S267 PolarHBondContact OE2-OG 2.84Å | ||
| 268 | Y | 88.9 | Confident | 73.3 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.3 | 176.5 | -85 | -97.4 | 0 | 0 | 0 | 111.8 | I218 P219 I244 L449 | I218-Y268 VanDerWaalsContact C-CD1 3.45Å; I218-Y268 WeakPolarHBondContact O-CA 3.46Å; I218-Y268 WeakPolarHBondContact O-CD1 3.4Å; P219-Y268 HydrophobicContact CB-CE1 4.31Å; P219-Y268 HydrophobicContact CG-CD1 4.44Å; P219-Y268 HydrophobicContact CG-CE1 3.7Å; I244-Y268 PolarHBondContact N-O 3.46Å; I244-Y268 PolarHBondContact O-N 3.14Å; Y268-L449 HydrophobicContact CD2-CD2 3.56Å; Y268-L449 HydrophobicContact CE1-CD1 3.89Å; Y268-L449 HydrophobicContact CE2-CD1 3.86Å; Y268-L449 HydrophobicContact CE2-CD2 3.32Å; Y268-L449 HydrophobicContact CE2-CG 4.24Å; Y268-L449 HydrophobicContact CG-CD2 4.3Å; Y268-L449 VanDerWaalsContact CZ-CD1 3.48Å |
| 269 | L | 92.8 | Very high | 75.9 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.4 | 161.9 | -65.8 | 169.5 | 0 | 0 | 0 | 107.5 | S217 I218 D236 Y239 L243 | S217-L269 CarbonylContact C-O 3.58Å; S217-L269 WeakPolarHBondContact CA-O 3.44Å; S217-L269 WeakPolarHBondContact CB-O 3.08Å; I218-L269 HydrophobicContact CD1-CD1 4.1Å; I218-L269 HydrophobicContact CG1-CB 4.01Å; I218-L269 HydrophobicContact CG1-CD1 4.04Å; I218-L269 PolarHBondContact N-O 2.8Å; I218-L269 PolarHBondContact O-N 2.95Å; D236-L269 HydrophobicContact CB-CD1 3.72Å; Y239-L269 HydrophobicContact CD1-CB 3.97Å; Y239-L269 HydrophobicContact CD1-CD2 3.74Å; Y239-L269 HydrophobicContact CD1-CG 4.31Å; Y239-L269 HydrophobicContact CE1-CB 3.7Å; Y239-L269 HydrophobicContact CE1-CD2 4.22Å; Y239-L269 HydrophobicContact CE2-CB 4.35Å; Y239-L269 HydrophobicContact CG-CB 4.39Å; Y239-L269 HydrophobicContact CG-CD1 4.38Å; Y239-L269 HydrophobicContact CG-CD2 4.24Å; L243-L269 HydrophobicContact CB-CD2 4.06Å; L243-L269 HydrophobicContact CD1-CD2 3.73Å; L243-L269 HydrophobicContact CD1-CG 4.1Å; L243-L269 HydrophobicContact CG-CD2 4.49Å |
| 270 | T | 92.8 | Very high | 78.4 | Confident | 28 Ų | 28 | 46 Ų | 46 | 17% | 0.172 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 161.9 | 178.2 | -169.2 | 0 | 0 | 0 | 0 | 112.7 | S217 Y239 V242 I244 | S217-T270 WeakPolarHBondContact OG-CB 3.42Å; S217-T270 PolarHBondContact OG-OG1 3.25Å; Y239-T270 WeakPolarHBondContact OH-CA 3.43Å; Y239-T270 PolarHBondContact OH-N 3.49Å; Y239-T270 PolarHBondContact OH-O 2.9Å; V242-T270 PolarHBondContact N-O 3.42Å; V242-T270 PolarHBondContact O-N 3.3Å; I244-T270 HydrophobicContact CD1-CG2 3.47Å; I244-T270 VanDerWaalsContact CD1-CG2 3.47Å; I244-T270 HydrophobicContact CG1-CG2 3.87Å |
| 271 | G | 92.3 | Very high | 80.7 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.7 | 35.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K149 Y151 E215 Y239 G241 | K149-G271 WeakPolarHBondContact CE-O 3.36Å; K149-G271 PolarHBondContact NZ-O 2.88Å; Y151-G271 PolarHBondContact OH-O 2.86Å; E215-G271 WeakPolarHBondContact OE2-CA 3.43Å; Y239-G271 PolarHBondContact OH-N 3.22Å; G241-G271 VanDerWaalsContact CA-O 3.25Å; G241-G271 WeakPolarHBondContact CA-O 3.23Å |
| 272 | G | 94.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | -177.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | E215 Y216 Y239 D240 | E215-G272 CarbonylContact C-O 3.46Å; E215-G272 VanDerWaalsContact CA-O 3.26Å; E215-G272 WeakPolarHBondContact CA-O 3.39Å; Y216-G272 PolarHBondContact N-O 3.09Å; Y239-G272 VanDerWaalsContact CE2-C 3.44Å; Y239-G272 WeakPolarHBondContact CE2-O 3.23Å; Y239-G272 PolarHBondContact OH-N 2.98Å; Y239-G272 PolarHBondContact OH-O 2.95Å; D240-G272 WeakPolarHBondContact OD1-CA 3.1Å |
| 273 | L | 96.6 | Very high | 85 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | trans | -126.4 | 162.5 | 172.7 | -62.6 | -179.5 | 0 | 0 | 0 | 109.7 | I180 V213 Y216 Y239 D240 M277 | I180-L273 HydrophobicContact CB-CD1 4.2Å; I180-L273 HydrophobicContact CD1-CD1 3.89Å; I180-L273 HydrophobicContact CG2-CD1 4.22Å; V213-L273 HydrophobicContact CG1-CD2 3.83Å; Y216-L273 HydrophobicContact CD1-CD2 3.59Å; Y216-L273 HydrophobicContact CE1-CB 4.49Å; Y216-L273 HydrophobicContact CE1-CD2 3.98Å; Y216-L273 HydrophobicContact CG-CD2 4.43Å; Y239-L273 CarbonylContact C-O 3.51Å; Y239-L273 WeakPolarHBondContact CA-O 3.46Å; Y239-L273 WeakPolarHBondContact CD2-O 3.22Å; D240-L273 PolarHBondContact N-O 2.88Å; D240-L273 PolarHBondContact OD1-N 3.21Å; L273-M277 HydrophobicContact CD2-CB 4.43Å; L273-M277 HydrophobicContact CD2-CG 4.14Å | ||
| 274 | G | 95 | Very high | 86.8 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 9% | 0.093 | 12% | 0.115 | C | C | . | . | trans | -165.2 | -142.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y216 D236 L276 M277 D278 | Y216-G274 WeakPolarHBondContact OH-CA 3.35Å; Y216-G274 PolarHBondContact OH-N 3.23Å; Y216-G274 PolarHBondContact OH-O 2.88Å; D236-G274 WeakPolarHBondContact OD1-CA 3.42Å; G274-L276 VanDerWaalsContact C-N 3.25Å; G274-L276 PolarHBondContact O-N 3.2Å; G274-L276 VanDerWaalsContact O-N 3.14Å; G274-M277 PolarHBondContact O-N 2.96Å; G274-M277 VanDerWaalsContact O-N 3.17Å; G274-D278 PolarHBondContact O-N 2.89Å | ||
| 275 | L | 94.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -55.8 | -33 | -171.8 | -63.1 | -171.9 | 0 | 0 | 0 | 114.5 | R156 Y216 D236 N238 M277 D278 V298 V300 | R156-L275 VanDerWaalsContact NH1-CD2 3.29Å; Y216-L275 PolarHBondContact OH-N 2.83Å; D236-L275 WeakPolarHBondContact OD1-CG 3.13Å; D236-L275 PolarHBondContact OD1-N 3.02Å; D236-L275 PolarHBondContact OD2-N 3.46Å; N238-L275 HydrophobicContact CB-CD2 3.74Å; N238-L275 HydrophobicContact CB-CG 4.38Å; L275-M277 PolarHBondContact O-N 3.16Å; L275-D278 PolarHBondContact O-N 3.48Å; L275-V298 HydrophobicContact CD2-CG1 4.13Å; L275-V300 HydrophobicContact CB-CG2 4.33Å |
| 276 | L | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -71.7 | -2.7 | -176.1 | -54.3 | -176.3 | 0 | 0 | 0 | 114.4 | Y216 I218 G274 V300 I406 V409 | Y216-L276 HydrophobicContact CE1-CB 3.8Å; Y216-L276 HydrophobicContact CE2-CD1 4.23Å; Y216-L276 HydrophobicContact CE2-CG 4.47Å; Y216-L276 PolarHBondContact OH-N 2.91Å; Y216-L276 VanDerWaalsContact OH-N 3.1Å; I218-L276 HydrophobicContact CD1-CD1 3.85Å; I218-L276 HydrophobicContact CG2-CD1 4.16Å; G274-L276 VanDerWaalsContact C-N 3.25Å; G274-L276 PolarHBondContact O-N 3.2Å; G274-L276 VanDerWaalsContact O-N 3.14Å; L276-V300 HydrophobicContact CD2-CB 4.02Å; L276-V300 HydrophobicContact CD2-CG2 3.73Å; L276-V300 HydrophobicContact CG-CG2 4.13Å; L276-I406 HydrophobicContact CD1-CD1 3.97Å; L276-I406 HydrophobicContact CD2-CD1 3.67Å; L276-I406 HydrophobicContact CD2-CG1 3.61Å; L276-I406 HydrophobicContact CG-CD1 4.46Å; L276-V409 PolarHBondContact O-N 3.25Å |
| 277 | M | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -136.9 | 6.9 | -177.5 | -74.4 | -75.8 | 149 | 0 | 0 | 113.1 | I180 F209 V213 Y216 L273 G274 L275 K279 F319 V409 F411 | I180-M277 HydrophobicContact CD1-CB 4.22Å; I180-M277 VanDerWaalsContact CD1-O 3.31Å; I180-M277 WeakPolarHBondContact CD1-O 3.45Å; F209-M277 HydrophobicContact CZ-SD 4.08Å; V213-M277 HydrophobicContact CB-CE 4.42Å; V213-M277 HydrophobicContact CB-SD 3.96Å; V213-M277 HydrophobicContact CG1-CE 4.49Å; V213-M277 HydrophobicContact CG1-SD 4.36Å; V213-M277 HydrophobicContact CG2-CE 3.8Å; V213-M277 HydrophobicContact CG2-SD 3.79Å; Y216-M277 HydrophobicContact CD1-CG 3.8Å; Y216-M277 HydrophobicContact CE1-CB 4.08Å; Y216-M277 HydrophobicContact CE1-CG 3.63Å; L273-M277 HydrophobicContact CD2-CB 4.43Å; L273-M277 HydrophobicContact CD2-CG 4.14Å; G274-M277 PolarHBondContact O-N 2.96Å; G274-M277 VanDerWaalsContact O-N 3.17Å; L275-M277 PolarHBondContact O-N 3.16Å; M277-K279 PolarHBondContact O-N 3.14Å; M277-K279 VanDerWaalsContact O-N 3.17Å; M277-F319 HydrophobicContact CE-CD1 4.02Å; M277-F319 HydrophobicContact CE-CE1 3.7Å; M277-V409 HydrophobicContact CE-CB 3.89Å; M277-V409 HydrophobicContact CE-CG1 4.16Å; M277-V409 WeakPolarHBondContact CE-O 3.37Å; M277-F411 HydrophobicContact CE-CD2 3.91Å; M277-F411 HydrophobicContact CE-CE2 3.62Å |
| 278 | D | 92.8 | Very high | 88 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -77.4 | 2.5 | -174.8 | 89.8 | -10.5 | 0 | 0 | 0 | 113.8 | R156 P177 P178 G274 L275 Q280 E408 | R156-D278 IonicContact CZ-OD2 3.28Å; R156-D278 IonicContact NH1-OD2 3.91Å; R156-D278 IonicContact NH2-OD2 3.43Å; R156-D278 PolarHBondContact NH2-OD2 2.79Å; P177-D278 HydrophobicContact CB-CB 3.99Å; P178-D278 WeakPolarHBondContact CG-O 3.43Å; G274-D278 PolarHBondContact O-N 2.89Å; L275-D278 PolarHBondContact O-N 3.48Å; D278-Q280 VanDerWaalsContact C-N 3.3Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.49Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.43Å; D278-Q280 WeakPolarHBondContact OD1-CG 3.28Å; D278-Q280 PolarHBondContact OD1-N 2.71Å; D278-Q280 PolarHBondContact OD2-NE2 2.55Å; D278-E408 PolarHBondContact N-OE2 2.7Å |
| 279 | K | 92.9 | Very high | 86.4 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 61.8 | 31.7 | -173.8 | -62.7 | -40 | -170.6 | -168.8 | 0 | 113.1 | S48 V49 L118 D211 M277 E408 | S48-K279 WeakPolarHBondContact CA-O 3.47Å; V49-K279 HydrophobicContact CB-CB 4.23Å; V49-K279 HydrophobicContact CB-CD 4.46Å; V49-K279 HydrophobicContact CG2-CB 4.43Å; V49-K279 HydrophobicContact CG2-CD 4.49Å; V49-K279 PolarHBondContact N-O 2.79Å; L118-K279 HydrophobicContact CD1-CG 4.22Å; L118-K279 HydrophobicContact CD2-CB 4.02Å; L118-K279 HydrophobicContact CD2-CG 3.68Å; D211-K279 VanDerWaalsContact OD1-CE 3.23Å; D211-K279 WeakPolarHBondContact OD1-CE 3.23Å; D211-K279 IonicContact OD1-NZ 2.77Å; D211-K279 PolarHBondContact OD1-NZ 2.8Å; D211-K279 IonicContact OD2-NZ 3.56Å; D211-K279 PolarHBondContact OD2-NZ 3.1Å; M277-K279 PolarHBondContact O-N 3.14Å; M277-K279 VanDerWaalsContact O-N 3.17Å; K279-E408 WeakPolarHBondContact CA-OE2 3.39Å; K279-E408 WeakPolarHBondContact CD-OE1 3.21Å; K279-E408 PolarHBondContact N-OE2 2.73Å; K279-E408 IonicContact NZ-OE1 2.69Å; K279-E408 PolarHBondContact NZ-OE1 3.14Å |
| 280 | Q | 91.6 | Very high | 84.8 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.3 | 174.1 | -47 | -179.6 | 36.8 | 0 | 0 | 111.9 | V46 K47 D278 V298 E408 | V46-Q280 HydrophobicContact CG1-CB 3.68Å; V46-Q280 HydrophobicContact CG1-CG 4.44Å; K47-Q280 CarbonylContact O-C 3.48Å; K47-Q280 WeakPolarHBondContact O-CA 3.37Å; D278-Q280 VanDerWaalsContact C-N 3.3Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.49Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.43Å; D278-Q280 WeakPolarHBondContact OD1-CG 3.28Å; D278-Q280 PolarHBondContact OD1-N 2.71Å; D278-Q280 PolarHBondContact OD2-NE2 2.55Å; Q280-V298 HydrophobicContact CB-CG1 4.45Å; Q280-E408 PolarHBondContact N-OE2 3.41Å |
| 281 | Y | 92.2 | Very high | 83 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.8 | -179.6 | 64.8 | -80.8 | 0 | 0 | 0 | 111.8 | V46 K47 V49 E283 H333 W380 | V46-Y281 CarbonylContact C-O 3.43Å; V46-Y281 WeakPolarHBondContact CA-O 3.45Å; K47-Y281 HydrophobicContact CB-CD1 4.17Å; K47-Y281 HydrophobicContact CB-CD2 4.35Å; K47-Y281 HydrophobicContact CB-CE1 3.66Å; K47-Y281 HydrophobicContact CB-CE2 3.86Å; K47-Y281 HydrophobicContact CB-CG 4.49Å; K47-Y281 VanDerWaalsContact CB-CZ 3.48Å; K47-Y281 HydrophobicContact CD-CE2 4.01Å; K47-Y281 HydrophobicContact CG-CE2 4.47Å; K47-Y281 PolarHBondContact N-O 3.41Å; K47-Y281 WeakPolarHBondContact O-CD1 3.32Å; K47-Y281 PolarHBondContact O-N 3.37Å; V49-Y281 HydrophobicContact CG2-CD1 3.73Å; V49-Y281 HydrophobicContact CG2-CE1 4.17Å; Y281-E283 HydrophobicContact CD2-CG 4.29Å; Y281-E283 HydrophobicContact CE2-CG 4.05Å; Y281-H333 AromaticContact CD2-CD2 3.88Å; Y281-H333 AromaticContact CD2-NE2 3.74Å; Y281-W380 AromaticContact CD1-CZ2 3.87Å; Y281-W380 HydrophobicContact CD1-CZ2 3.87Å; Y281-W380 HydrophobicContact CD2-CZ2 4.36Å; Y281-W380 HydrophobicContact CE1-CZ2 4.42Å; Y281-W380 AromaticContact CG-CZ2 3.83Å; Y281-W380 HydrophobicContact CG-CZ2 3.83Å |
| 282 | F | 90.8 | Very high | 80.9 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 103 | -170.2 | -176.8 | -103.3 | 0 | 0 | 0 | 111.8 | N44 V46 G284 L286 P297 V299 H333 L335 S407 | N44-F282 WeakPolarHBondContact O-CE2 3.37Å; V46-F282 HydrophobicContact CG2-CD2 3.81Å; F282-G284 VanDerWaalsContact C-N 3.33Å; F282-G284 WeakPolarHBondContact CD1-O 3.29Å; F282-G284 WeakPolarHBondContact CE1-O 3.39Å; F282-L286 HydrophobicContact CE1-CD2 3.99Å; F282-P297 HydrophobicContact CD2-CB 4.47Å; F282-P297 HydrophobicContact CE1-CB 4.23Å; F282-P297 HydrophobicContact CE2-CB 4.05Å; F282-P297 HydrophobicContact CZ-CB 3.91Å; F282-V299 HydrophobicContact CB-CG1 3.88Å; F282-V299 HydrophobicContact CD1-CG1 3.91Å; F282-V299 HydrophobicContact CG-CG1 4.09Å; F282-H333 PolarHBondContact O-CE1 3.05Å; F282-H333 VanDerWaalsContact O-CE1 3.29Å; F282-L335 HydrophobicContact CD1-CD2 4.18Å; F282-L335 HydrophobicContact CE1-CD2 4.44Å; F282-S407 PolarHBondContact N-OG 2.91Å |
| 283 | E | 86.6 | Confident | 78.7 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 40% | 0.397 | 28% | 0.276 | S | S | . | . | trans | -83.5 | -5.9 | 172.6 | -82.4 | -173.1 | -154.7 | 0 | 0 | 113.6 | G45 K47 Y281 | G45-E283 PolarHBondContact O-N 3.31Å; K47-E283 HydrophobicContact CD-CG 4.45Å; K47-E283 WeakPolarHBondContact CD-OE1 3.29Å; K47-E283 VanDerWaalsContact CE-CD 3.4Å; K47-E283 WeakPolarHBondContact CE-OE1 3.37Å; K47-E283 WeakPolarHBondContact CE-OE2 3.4Å; K47-E283 IonicContact NZ-OE1 3.87Å; K47-E283 PolarHBondContact NZ-OE1 3.46Å; K47-E283 IonicContact NZ-OE2 3.08Å; K47-E283 PolarHBondContact NZ-OE2 2.87Å; Y281-E283 HydrophobicContact CD2-CG 4.29Å; Y281-E283 HydrophobicContact CE2-CG 4.05Å | ||
| 284 | G | 79.6 | Confident | 76.5 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -67.6 | 160.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F282 | F282-G284 VanDerWaalsContact C-N 3.33Å; F282-G284 WeakPolarHBondContact CD1-O 3.29Å; F282-G284 WeakPolarHBondContact CE1-O 3.39Å |
| 285 | N | 78.3 | Confident | 74.8 | Confident | 126 Ų | 126 | 53 Ų | 53 | 67% | 0.674 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 147.8 | 158.6 | -69.4 | -18 | 0 | 0 | 0 | 108.9 | ||
| 286 | L | 76.6 | Confident | 73.5 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 136.9 | 170.1 | -64.2 | -172.6 | 0 | 0 | 0 | 109.7 | Y224 L234 F282 E288 P297 V299 L335 I341 | Y224-L286 HydrophobicContact CD1-CD1 4.46Å; Y224-L286 HydrophobicContact CE1-CD1 4.43Å; L234-L286 HydrophobicContact CD1-CD1 4.37Å; F282-L286 HydrophobicContact CE1-CD2 3.99Å; L286-E288 PolarHBondContact O-N 3.44Å; L286-P297 HydrophobicContact CD2-CB 4.12Å; L286-P297 HydrophobicContact CD2-CG 3.94Å; L286-V299 HydrophobicContact CD2-CG2 4.14Å; L286-L335 HydrophobicContact CD1-CD2 4.49Å; L286-L335 HydrophobicContact CD2-CD2 3.75Å; L286-L335 HydrophobicContact CG-CD2 3.85Å; L286-I341 HydrophobicContact CD1-CD1 3.49Å; L286-I341 VanDerWaalsContact CD1-CD1 3.49Å; L286-I341 HydrophobicContact CG-CD1 4.31Å |
| 287 | P | 66.9 | Low | 72.4 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 120.6 | -175.7 | 21.4 | -32.4 | 0 | 0 | 0 | 112.3 | F232 K289 | F232-P287 HydrophobicContact CD1-CG 4.28Å; F232-P287 HydrophobicContact CE1-CB 4.39Å; F232-P287 HydrophobicContact CE1-CG 3.58Å; F232-P287 HydrophobicContact CE2-CG 4.2Å; F232-P287 WeakPolarHBondContact CE2-O 3.21Å; F232-P287 HydrophobicContact CZ-CB 3.93Å; F232-P287 HydrophobicContact CZ-CG 3.53Å; F232-P287 WeakPolarHBondContact CZ-O 3.38Å; P287-K289 PolarHBondContact O-N 3.17Å |
| 288 | E | 60.6 | Low | 71.9 | Confident | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -67.3 | -16.2 | -179.8 | -157.5 | -156.6 | -164.8 | 0 | 0 | 113.2 | R229 L286 | R229-E288 WeakPolarHBondContact CD-O 3.47Å; R229-E288 IonicContact CZ-OE1 3.24Å; R229-E288 IonicContact NH1-OE1 3.85Å; R229-E288 PolarHBondContact NH1-OE1 3.2Å; R229-E288 IonicContact NH2-OE1 3.24Å; L286-E288 PolarHBondContact O-N 3.44Å |
| 289 | K | 55.7 | Low | 71.8 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 55% | 0.548 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -143.9 | 144.3 | -175.2 | -62.8 | 169.8 | -168.7 | 158.6 | 0 | 109.9 | P287 D291 | P287-K289 PolarHBondContact O-N 3.17Å; K289-D291 PolarHBondContact O-N 3.29Å; K289-D291 VanDerWaalsContact O-N 3.15Å |
| 290 | I | 57.8 | Low | 71.9 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 42% | 0.415 | 34% | 0.336 | S | S | . | . | trans | -81.5 | 89.8 | 171.7 | -57 | 175.8 | 0 | 0 | 0 | 109.6 | F232 | F232-I290 HydrophobicContact CE1-CG1 3.91Å; F232-I290 HydrophobicContact CE2-CG1 3.92Å; F232-I290 HydrophobicContact CZ-CB 4.37Å; F232-I290 HydrophobicContact CZ-CG1 3.47Å; F232-I290 VanDerWaalsContact CZ-CG1 3.47Å | ||
| 291 | D | 56.9 | Low | 72 | Confident | 119 Ų | 119 | 56 Ų | 56 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | trans | -70.1 | 126.5 | 160.5 | -76 | -28 | 0 | 0 | 0 | 109 | K289 G293 S294 | K289-D291 PolarHBondContact O-N 3.29Å; K289-D291 VanDerWaalsContact O-N 3.15Å; D291-G293 PolarHBondContact O-N 3.24Å; D291-S294 WeakPolarHBondContact O-CB 3.42Å; D291-S294 PolarHBondContact O-N 2.87Å | ||
| 292 | S | 47.6 | Very low | 72 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 93% | 0.93 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 19.1 | -165.3 | -49.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 293 | G | 48.1 | Very low | 72 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 79% | 0.794 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.4 | 6.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D291 S295 | D291-G293 PolarHBondContact O-N 3.24Å; G293-S295 PolarHBondContact O-N 2.69Å |
| 294 | S | 51 | Low | 72.2 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 49% | 0.49 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 122.8 | 172.7 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | D291 | D291-S294 WeakPolarHBondContact O-CB 3.42Å; D291-S294 PolarHBondContact O-N 2.87Å |
| 295 | S | 58.9 | Low | 72.2 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.2 | 171.3 | 31.7 | 0 | 0 | 0 | 0 | 110.2 | P43 G293 | P43-S295 WeakPolarHBondContact CG-OG 3.43Å; G293-S295 PolarHBondContact O-N 2.69Å |
| 296 | S | 65.9 | Low | 72.2 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 137.4 | 179 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 297 | P | 73.1 | Confident | 71.5 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 8% | 0.078 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 145.9 | -178.9 | 25.7 | -33.7 | 0 | 0 | 0 | 111.1 | L234 F282 L286 V299 | L234-P297 HydrophobicContact CD2-CG 4.47Å; F282-P297 HydrophobicContact CD2-CB 4.47Å; F282-P297 HydrophobicContact CE1-CB 4.23Å; F282-P297 HydrophobicContact CE2-CB 4.05Å; F282-P297 HydrophobicContact CZ-CB 3.91Å; L286-P297 HydrophobicContact CD2-CB 4.12Å; L286-P297 HydrophobicContact CD2-CG 3.94Å; P297-V299 HydrophobicContact CB-CG2 4.02Å; P297-V299 HydrophobicContact CG-CG2 3.94Å; P297-V299 PolarHBondContact O-N 2.99Å |
| 298 | V | 86.1 | Confident | 71.2 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -80.6 | 73.2 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | P43 V46 L275 Q280 | P43-V298 HydrophobicContact CG-CG2 3.93Å; V46-V298 HydrophobicContact CG1-CG2 4.38Å; V46-V298 HydrophobicContact CG2-CB 3.89Å; V46-V298 HydrophobicContact CG2-CG2 3.57Å; L275-V298 HydrophobicContact CD2-CG1 4.13Å; Q280-V298 HydrophobicContact CB-CG1 4.45Å |
| 299 | V | 91.5 | Very high | 71.2 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | trans | -147.7 | 153.2 | -176.6 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | L234 F282 L286 P297 L335 V405 I406 | L234-V299 HydrophobicContact CD2-CG2 3.96Å; F282-V299 HydrophobicContact CB-CG1 3.88Å; F282-V299 HydrophobicContact CD1-CG1 3.91Å; F282-V299 HydrophobicContact CG-CG1 4.09Å; L286-V299 HydrophobicContact CD2-CG2 4.14Å; P297-V299 HydrophobicContact CB-CG2 4.02Å; P297-V299 HydrophobicContact CG-CG2 3.94Å; P297-V299 PolarHBondContact O-N 2.99Å; V299-L335 HydrophobicContact CG1-CD1 4.01Å; V299-L335 HydrophobicContact CG1-CD2 4.4Å; V299-V405 HydrophobicContact CB-CG1 3.72Å; V299-V405 HydrophobicContact CG1-CG1 4.14Å; V299-V405 HydrophobicContact CG2-CG1 3.89Å; V299-I406 CarbonylContact C-O 3.47Å; V299-I406 VanDerWaalsContact CA-O 3.27Å; V299-I406 WeakPolarHBondContact CA-O 3.38Å; V299-I406 WeakPolarHBondContact CB-O 3.2Å | ||
| 300 | V | 94.3 | Very high | 72 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138 | 163.8 | -171.3 | 0 | 0 | 0 | 0 | 108 | I218 L234 D236 L275 L276 W302 I406 | I218-V300 HydrophobicContact CD1-CG1 4.37Å; L234-V300 WeakPolarHBondContact O-CA 3.31Å; D236-V300 HydrophobicContact CB-CG2 4Å; L275-V300 HydrophobicContact CB-CG2 4.33Å; L276-V300 HydrophobicContact CD2-CB 4.02Å; L276-V300 HydrophobicContact CD2-CG2 3.73Å; L276-V300 HydrophobicContact CG-CG2 4.13Å; V300-W302 HydrophobicContact CB-CH2 4.29Å; V300-W302 HydrophobicContact CB-CZ2 4.42Å; V300-W302 HydrophobicContact CG1-CH2 3.89Å; V300-W302 HydrophobicContact CG1-CZ2 3.55Å; V300-I406 PolarHBondContact N-O 3.3Å; V300-I406 PolarHBondContact O-N 2.95Å |
| 301 | G | 93.4 | Very high | 72.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | D222 L234 I404 | D222-G301 PolarHBondContact N-O 2.87Å; L234-G301 PolarHBondContact O-N 3.27Å; G301-I404 VanDerWaalsContact CA-O 3.28Å; G301-I404 WeakPolarHBondContact CA-O 3.42Å |
| 302 | W | 93.3 | Very high | 73 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.3 | -173.4 | -57.3 | -87.6 | 0 | 0 | 0 | 110.9 | I218 P219 V300 I315 M317 F399 W403 I404 I406 | I218-W302 HydrophobicContact CB-CZ2 4.32Å; I218-W302 HydrophobicContact CD1-CZ2 4.25Å; P219-W302 PolarHBondContact O-NE1 2.84Å; V300-W302 HydrophobicContact CB-CH2 4.29Å; V300-W302 HydrophobicContact CB-CZ2 4.42Å; V300-W302 HydrophobicContact CG1-CH2 3.89Å; V300-W302 HydrophobicContact CG1-CZ2 3.55Å; W302-I315 HydrophobicContact CB-CD1 3.98Å; W302-I315 HydrophobicContact CB-CG1 4.1Å; W302-I315 HydrophobicContact CD2-CD1 3.9Å; W302-I315 HydrophobicContact CD2-CG1 4.16Å; W302-I315 HydrophobicContact CD2-CG2 4.2Å; W302-I315 HydrophobicContact CE3-CD1 3.53Å; W302-I315 HydrophobicContact CE3-CG1 4.26Å; W302-I315 HydrophobicContact CE3-CG2 4.38Å; W302-I315 HydrophobicContact CG-CD1 4.15Å; W302-I315 HydrophobicContact CG-CG1 4.14Å; W302-I315 HydrophobicContact CH2-CG2 4.43Å; W302-I315 HydrophobicContact CZ2-CG2 4.28Å; W302-I315 HydrophobicContact CZ3-CD1 4.22Å; W302-I315 HydrophobicContact CZ3-CG2 4.48Å; W302-M317 HydrophobicContact CH2-SD 4.15Å; W302-F399 HydrophobicContact CB-CZ 4.09Å; W302-F399 WeakPolarHBondContact O-CE1 3.43Å; W302-W403 VanDerWaalsContact C-CE3 3.5Å; W302-W403 WeakPolarHBondContact O-CA 3.28Å; W302-W403 VanDerWaalsContact O-CE3 3.24Å; W302-I404 HydrophobicContact CE3-CG2 4.39Å; W302-I404 PolarHBondContact N-O 3.08Å; W302-I404 PolarHBondContact O-N 2.81Å; W302-I406 HydrophobicContact CH2-CD1 3.77Å; W302-I406 HydrophobicContact CH2-CG1 4.09Å; W302-I406 HydrophobicContact CZ3-CD1 3.81Å; W302-I406 HydrophobicContact CZ3-CG1 3.85Å |
| 303 | F | 90.6 | Very high | 74.8 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 23% | 0.232 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.6 | -177.6 | -177.3 | -128.9 | 0 | 0 | 0 | 112.4 | D222 R305 K306 N310 D402 W403 | D222-F303 HydrophobicContact CB-CB 4.27Å; D222-F303 PolarHBondContact OD2-N 3.2Å; F303-R305 HydrophobicContact CD1-CB 4.3Å; F303-R305 HydrophobicContact CE1-CB 3.68Å; F303-R305 HydrophobicContact CE1-CG 4.39Å; F303-R305 HydrophobicContact CZ-CB 3.87Å; F303-R305 HydrophobicContact CZ-CG 4.07Å; F303-R305 PolarHBondContact O-N 2.9Å; F303-R305 VanDerWaalsContact O-N 3.1Å; F303-K306 HydrophobicContact CD1-CB 4.23Å; F303-K306 PolarHBondContact O-N 2.81Å; F303-N310 PolarHBondContact N-ND2 2.88Å; F303-N310 PolarHBondContact O-ND2 2.88Å; F303-D402 HydrophobicContact CD2-CB 4.48Å; F303-D402 VanDerWaalsContact CD2-O 3.28Å; F303-D402 WeakPolarHBondContact CD2-O 3.49Å; F303-D402 HydrophobicContact CE2-CB 4.03Å; F303-W403 HydrophobicContact CB-CD2 4.18Å; F303-W403 HydrophobicContact CB-CE3 4.19Å; F303-W403 HydrophobicContact CB-CH2 3.72Å; F303-W403 HydrophobicContact CB-CZ2 3.7Å; F303-W403 HydrophobicContact CB-CZ3 3.99Å; F303-W403 AromaticContact CD2-CD1 3.89Å; F303-W403 HydrophobicContact CD2-CD2 4.05Å; F303-W403 AromaticContact CD2-CE2 3.45Å; F303-W403 VanDerWaalsContact CD2-CE2 3.45Å; F303-W403 HydrophobicContact CD2-CG 4.28Å; F303-W403 AromaticContact CD2-CZ2 3.79Å; F303-W403 HydrophobicContact CD2-CZ2 3.79Å; F303-W403 AromaticContact CD2-NE1 3.37Å; F303-W403 AromaticContact CE2-NE1 3.77Å; F303-W403 AromaticContact CG-CE2 3.96Å; F303-W403 HydrophobicContact CG-CH2 4.37Å; F303-W403 AromaticContact CG-CZ2 3.86Å; F303-W403 HydrophobicContact CG-CZ2 3.86Å |
| 304 | R | 89.2 | Confident | 76.8 | Confident | 104 Ų | 104 | 44.3 Ų | 44.3 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -37.4 | -175.1 | -175.3 | 177.1 | -179.2 | 162.6 | 3.8 | 114.2 | F399 D400 Y401 D402 | R304-F399 HydrophobicContact CB-CB 4.28Å; R304-F399 HydrophobicContact CB-CD1 3.62Å; R304-F399 HydrophobicContact CB-CD2 4.29Å; R304-F399 HydrophobicContact CB-CE1 3.89Å; R304-F399 HydrophobicContact CB-CG 3.83Å; R304-F399 HydrophobicContact CB-CZ 4.33Å; R304-F399 HydrophobicContact CG-CB 3.98Å; R304-F399 HydrophobicContact CG-CD1 4.24Å; R304-F399 HydrophobicContact CG-CD2 4.24Å; R304-F399 HydrophobicContact CG-CG 3.93Å; R304-F399 PolarHBondContact NH1-O 3.01Å; R304-D400 PolarHBondContact NH1-O 3.46Å; R304-Y401 WeakPolarHBondContact CD-O 3.45Å; R304-Y401 PolarHBondContact NH1-O 2.86Å; R304-D402 WeakPolarHBondContact CB-O 3.19Å; R304-D402 PolarHBondContact N-O 3.06Å |
| 305 | R | 80.5 | Confident | 78.7 | Confident | 162 Ų | 162 | 41 Ų | 41 | 61% | 0.611 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 14.9 | -172.5 | -48.5 | -168 | -170.6 | 100 | 6.4 | 114.3 | F303 P307 D402 | F303-R305 HydrophobicContact CD1-CB 4.3Å; F303-R305 HydrophobicContact CE1-CB 3.68Å; F303-R305 HydrophobicContact CE1-CG 4.39Å; F303-R305 HydrophobicContact CZ-CB 3.87Å; F303-R305 HydrophobicContact CZ-CG 4.07Å; F303-R305 PolarHBondContact O-N 2.9Å; F303-R305 VanDerWaalsContact O-N 3.1Å; R305-P307 WeakPolarHBondContact O-CD 3.09Å; R305-D402 VanDerWaalsContact CZ-CG 3.47Å; R305-D402 IonicContact CZ-OD1 2.69Å; R305-D402 IonicContact CZ-OD2 2.82Å; R305-D402 IonicContact NE-OD1 2.71Å; R305-D402 IonicContact NH1-OD1 3.8Å; R305-D402 IonicContact NH1-OD2 2.79Å; R305-D402 PolarHBondContact NH1-OD2 2.85Å; R305-D402 IonicContact NH2-OD1 3.22Å; R305-D402 PolarHBondContact NH2-OD1 2.76Å; R305-D402 IonicContact NH2-OD2 3.57Å; R305-D402 PolarHBondContact NH2-OD2 2.95Å |
| 306 | K | 78.2 | Confident | 80.3 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | trans | -99.1 | 107 | 176.1 | -168.9 | -173.9 | 177.3 | -153.2 | 0 | 110.8 | D222 F303 T308 T309 N310 | D222-K306 WeakPolarHBondContact OD1-CD 3.32Å; D222-K306 VanDerWaalsContact OD1-CE 3.28Å; D222-K306 WeakPolarHBondContact OD1-CE 3.44Å; D222-K306 IonicContact OD1-NZ 2.88Å; D222-K306 PolarHBondContact OD1-NZ 3.43Å; F303-K306 HydrophobicContact CD1-CB 4.23Å; F303-K306 PolarHBondContact O-N 2.81Å; K306-T308 VanDerWaalsContact CE-OG1 3.29Å; K306-T308 WeakPolarHBondContact CE-OG1 3.48Å; K306-T308 PolarHBondContact O-N 2.88Å; K306-T308 VanDerWaalsContact O-N 3.08Å; K306-T309 HydrophobicContact CD-CG2 4.03Å; K306-T309 WeakPolarHBondContact CD-OG1 3.38Å; K306-T309 PolarHBondContact O-N 2.85Å; K306-T309 VanDerWaalsContact O-N 3.17Å; K306-N310 PolarHBondContact O-N 3.33Å | ||
| 307 | P | 61.8 | Low | 81.7 | Confident | 93 Ų | 93 | 35.5 Ų | 35.5 | 60% | 0.604 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.2 | -174.8 | -21.1 | 34.3 | 0 | 0 | 0 | 114.7 | R305 | R305-P307 WeakPolarHBondContact O-CD 3.09Š|
| 308 | T | 60 | Low | 82.8 | Confident | 68 Ų | 68 | 37.5 Ų | 37.5 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.8 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | T266 K306 | T266-T308 WeakPolarHBondContact CA-O 3.23Å; T266-T308 WeakPolarHBondContact CG2-O 3.48Å; K306-T308 VanDerWaalsContact CE-OG1 3.29Å; K306-T308 WeakPolarHBondContact CE-OG1 3.48Å; K306-T308 PolarHBondContact O-N 2.88Å; K306-T308 VanDerWaalsContact O-N 3.08Å |
| 309 | T | 62.4 | Low | 83.3 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -43.9 | 168.8 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | E220 D222 K306 P311 | E220-T309 WeakPolarHBondContact O-CG2 3.35Å; D222-T309 PolarHBondContact OD2-OG1 3.43Å; K306-T309 HydrophobicContact CD-CG2 4.03Å; K306-T309 WeakPolarHBondContact CD-OG1 3.38Å; K306-T309 PolarHBondContact O-N 2.85Å; K306-T309 VanDerWaalsContact O-N 3.17Å; T309-P311 VanDerWaalsContact O-CD 3.27Å; T309-P311 WeakPolarHBondContact O-CD 3.19Å |
| 310 | N | 71.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | trans | -122.6 | 57.7 | -174 | -54.3 | -66.1 | 0 | 0 | 0 | 112.6 | F303 K306 Y312 G313 I315 F399 | F303-N310 PolarHBondContact N-ND2 2.88Å; F303-N310 PolarHBondContact O-ND2 2.88Å; K306-N310 PolarHBondContact O-N 3.33Å; N310-Y312 PolarHBondContact O-N 3.49Å; N310-Y312 VanDerWaalsContact O-N 3.13Å; N310-G313 PolarHBondContact O-N 2.73Å; N310-I315 VanDerWaalsContact OD1-CG1 3.22Å; N310-I315 WeakPolarHBondContact OD1-CG1 3.18Å; N310-F399 HydrophobicContact CB-CE2 3.91Å; N310-F399 HydrophobicContact CB-CZ 4.25Å | ||
| 311 | P | 64.7 | Low | 83.6 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.3 | -170 | 21.5 | -33 | 0 | 0 | 0 | 115.2 | Q264 T266 T309 | Q264-P311 HydrophobicContact CB-CB 4.34Å; Q264-P311 HydrophobicContact CB-CG 4.48Å; Q264-P311 HydrophobicContact CG-CB 3.61Å; Q264-P311 HydrophobicContact CG-CG 4.22Å; T266-P311 HydrophobicContact CG2-CG 4.13Å; T309-P311 VanDerWaalsContact O-CD 3.27Å; T309-P311 WeakPolarHBondContact O-CD 3.19Å |
| 312 | Y | 72 | Confident | 83.7 | Confident | 92 Ų | 92 | 40.2 Ų | 40.2 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 12.3 | -179.4 | -60.4 | -77.7 | 0 | 0 | 0 | 113.4 | Q264 N310 R314 E445 | Q264-Y312 VanDerWaalsContact OE1-CE2 3.27Å; Q264-Y312 PolarHBondContact OE1-OH 2.83Å; N310-Y312 PolarHBondContact O-N 3.49Å; N310-Y312 VanDerWaalsContact O-N 3.13Å; Y312-R314 PolarHBondContact O-N 2.96Å; Y312-E445 HydrophobicContact CE2-CG 4.45Å |
| 313 | G | 83.8 | Confident | 83.6 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 64.4 | 29.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N310 F399 | N310-G313 PolarHBondContact O-N 2.73Å; G313-F399 WeakPolarHBondContact O-CD2 3.45Å |
| 314 | R | 89.9 | Confident | 83.8 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.9 | 177.9 | 75 | -162.6 | -178.8 | -162.1 | -1.9 | 110.1 | Y312 T396 L397 W398 D441 E445 | Y312-R314 PolarHBondContact O-N 2.96Å; R314-T396 HydrophobicContact CB-CG2 4.05Å; R314-T396 HydrophobicContact CG-CG2 3.97Å; R314-L397 CarbonylContact C-O 3.56Å; R314-L397 WeakPolarHBondContact CA-O 3.49Å; R314-L397 WeakPolarHBondContact CB-O 3.35Å; R314-W398 HydrophobicContact CB-CD2 4.49Å; R314-W398 HydrophobicContact CB-CG 4.37Å; R314-D441 PolarHBondContact NH2-O 3.13Å; R314-E445 IonicContact CZ-OE2 3.35Å; R314-E445 IonicContact NE-OE2 2.73Å; R314-E445 PolarHBondContact NE-OE2 2.88Å; R314-E445 IonicContact NH2-OE2 3.88Å; R314-E445 PolarHBondContact NH2-OE2 2.67Å |
| 315 | I | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.4 | 172 | -59.1 | 146.3 | 0 | 0 | 0 | 107.4 | P219 W302 N310 M317 T396 L397 F399 I404 | P219-I315 HydrophobicContact CG-CG2 4.08Å; W302-I315 HydrophobicContact CB-CD1 3.98Å; W302-I315 HydrophobicContact CB-CG1 4.1Å; W302-I315 HydrophobicContact CD2-CD1 3.9Å; W302-I315 HydrophobicContact CD2-CG1 4.16Å; W302-I315 HydrophobicContact CD2-CG2 4.2Å; W302-I315 HydrophobicContact CE3-CD1 3.53Å; W302-I315 HydrophobicContact CE3-CG1 4.26Å; W302-I315 HydrophobicContact CE3-CG2 4.38Å; W302-I315 HydrophobicContact CG-CD1 4.15Å; W302-I315 HydrophobicContact CG-CG1 4.14Å; W302-I315 HydrophobicContact CH2-CG2 4.43Å; W302-I315 HydrophobicContact CZ2-CG2 4.28Å; W302-I315 HydrophobicContact CZ3-CD1 4.22Å; W302-I315 HydrophobicContact CZ3-CG2 4.48Å; N310-I315 VanDerWaalsContact OD1-CG1 3.22Å; N310-I315 WeakPolarHBondContact OD1-CG1 3.18Å; I315-M317 HydrophobicContact CG2-CG 4.02Å; I315-T396 CarbonylContact O-C 3.58Å; I315-T396 WeakPolarHBondContact O-CA 3.22Å; I315-L397 HydrophobicContact CB-CB 4.49Å; I315-L397 PolarHBondContact N-O 2.87Å; I315-L397 PolarHBondContact O-N 2.98Å; I315-F399 HydrophobicContact CD1-CE1 4.44Å; I315-F399 HydrophobicContact CD1-CE2 3.86Å; I315-F399 HydrophobicContact CD1-CZ 3.72Å; I315-F399 HydrophobicContact CG1-CE2 3.73Å; I315-F399 HydrophobicContact CG1-CZ 3.9Å; I315-I404 HydrophobicContact CD1-CB 3.83Å; I315-I404 HydrophobicContact CD1-CD1 3.71Å; I315-I404 HydrophobicContact CD1-CG1 4.36Å; I315-I404 HydrophobicContact CD1-CG2 3.93Å |
| 316 | T | 92.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.8 | 178 | -49.7 | 0 | 0 | 0 | 0 | 109.7 | P219 R394 I442 | P219-T316 WeakPolarHBondContact CD-O 3.43Å; T316-R394 HydrophobicContact CG2-CG 4Å; T316-I442 HydrophobicContact CG2-CG2 4.26Å |
| 317 | M | 94.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.5 | -178.9 | -53.4 | -172.3 | -71.2 | 0 | 0 | 110.1 | S217 I218 W302 I315 F319 R394 I395 L397 I406 | S217-M317 CarbonylContact O-C 3.47Å; S217-M317 WeakPolarHBondContact O-CA 3.5Å; I218-M317 HydrophobicContact CG2-CB 3.99Å; I218-M317 HydrophobicContact CG2-CG 3.74Å; I218-M317 HydrophobicContact CG2-SD 3.91Å; W302-M317 HydrophobicContact CH2-SD 4.15Å; I315-M317 HydrophobicContact CG2-CG 4.02Å; M317-F319 HydrophobicContact CB-CD2 4.46Å; M317-F319 HydrophobicContact CB-CE2 3.76Å; M317-F319 HydrophobicContact CE-CE2 4.29Å; M317-F319 HydrophobicContact SD-CE2 4.42Å; M317-R394 CarbonylContact O-C 3.47Å; M317-R394 WeakPolarHBondContact O-CA 3.33Å; M317-I395 HydrophobicContact CB-CB 4.49Å; M317-I395 HydrophobicContact CE-CB 4.31Å; M317-I395 HydrophobicContact CE-CG2 3.99Å; M317-I395 PolarHBondContact N-O 3.36Å; M317-I395 PolarHBondContact O-N 2.8Å; M317-L397 HydrophobicContact CE-CD1 3.72Å; M317-L397 HydrophobicContact CE-CG 4.09Å; M317-I406 HydrophobicContact SD-CD1 4.36Å |
| 318 | L | 96.1 | Very high | 87.3 | Confident | 53 Ų | 53 | 25 Ų | 25 | 28% | 0.277 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 118 | 178.5 | 174 | 62.1 | 0 | 0 | 0 | 110.4 | Y216 S217 F358 R394 | Y216-L318 CarbonylContact C-O 3.59Å; Y216-L318 WeakPolarHBondContact CA-O 3.42Å; S217-L318 PolarHBondContact N-O 3.13Å; S217-L318 PolarHBondContact O-N 2.92Å; L318-F358 HydrophobicContact CD1-CE1 4.28Å; L318-F358 HydrophobicContact CD1-CZ 3.73Å; L318-R394 HydrophobicContact CD1-CB 4.24Å |
| 319 | F | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.4 | 177.7 | -65.8 | -96.5 | 0 | 0 | 0 | 110.1 | V213 Y216 M277 M317 F321 Y392 L393 I395 V409 F411 | V213-F319 HydrophobicContact CG1-CD1 4Å; Y216-F319 HydrophobicContact CD1-CD1 4.35Å; Y216-F319 AromaticContact CD1-CE1 3.9Å; Y216-F319 HydrophobicContact CD1-CE1 3.9Å; Y216-F319 HydrophobicContact CG-CD1 4.36Å; Y216-F319 AromaticContact CG-CE1 3.99Å; Y216-F319 HydrophobicContact CG-CE1 3.99Å; M277-F319 HydrophobicContact CE-CD1 4.02Å; M277-F319 HydrophobicContact CE-CE1 3.7Å; M317-F319 HydrophobicContact CB-CD2 4.46Å; M317-F319 HydrophobicContact CB-CE2 3.76Å; M317-F319 HydrophobicContact CE-CE2 4.29Å; M317-F319 HydrophobicContact SD-CE2 4.42Å; F319-F321 HydrophobicContact CB-CE2 3.95Å; F319-F321 HydrophobicContact CB-CZ 4.31Å; F319-Y392 CarbonylContact O-C 3.53Å; F319-Y392 VanDerWaalsContact O-CA 3.29Å; F319-Y392 WeakPolarHBondContact O-CA 3.32Å; F319-L393 PolarHBondContact N-O 2.91Å; F319-L393 PolarHBondContact O-N 3.44Å; F319-I395 HydrophobicContact CD2-CD1 3.74Å; F319-I395 HydrophobicContact CD2-CG1 4.23Å; F319-I395 HydrophobicContact CE2-CD1 3.76Å; F319-I395 HydrophobicContact CE2-CG1 4.41Å; F319-V409 HydrophobicContact CE1-CG1 4.45Å; F319-V409 HydrophobicContact CZ-CB 4.42Å; F319-V409 HydrophobicContact CZ-CG1 4.27Å; F319-V409 HydrophobicContact CZ-CG2 4.34Å; F319-F411 HydrophobicContact CB-CE2 4.42Å; F319-F411 HydrophobicContact CB-CZ 4.12Å; F319-F411 AromaticContact CD1-CE2 3.7Å; F319-F411 HydrophobicContact CD1-CE2 3.7Å; F319-F411 AromaticContact CD1-CZ 3.94Å; F319-F411 HydrophobicContact CD1-CZ 3.94Å; F319-F411 HydrophobicContact CD2-CZ 4.02Å; F319-F411 HydrophobicContact CE1-CE2 4.11Å; F319-F411 HydrophobicContact CE1-CZ 4.4Å; F319-F411 HydrophobicContact CE2-CZ 4.48Å; F319-F411 AromaticContact CG-CE2 3.98Å; F319-F411 HydrophobicContact CG-CE2 3.98Å; F319-F411 AromaticContact CG-CZ 3.74Å; F319-F411 HydrophobicContact CG-CZ 3.74Å |
| 320 | K | 96.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 23.1 Ų | 23.1 | 12% | 0.117 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140 | 173.6 | 173.9 | -165.6 | 176.4 | -160.2 | 0 | 109.9 | E145 V213 V214 E215 Y392 | E145-K320 VanDerWaalsContact OE1-CE 3.28Å; E145-K320 WeakPolarHBondContact OE1-CE 3.5Å; E145-K320 IonicContact OE1-NZ 3.9Å; E145-K320 PolarHBondContact OE1-NZ 3.09Å; E145-K320 IonicContact OE2-NZ 2.71Å; E145-K320 PolarHBondContact OE2-NZ 3.2Å; V213-K320 WeakPolarHBondContact CA-O 3.34Å; V214-K320 HydrophobicContact CG2-CB 4.28Å; V214-K320 HydrophobicContact CG2-CD 3.78Å; V214-K320 HydrophobicContact CG2-CG 3.76Å; V214-K320 WeakPolarHBondContact CG2-O 3.24Å; V214-K320 PolarHBondContact N-O 3.34Å; E215-K320 HydrophobicContact CG-CB 3.99Å; E215-K320 HydrophobicContact CG-CD 3.79Å; E215-K320 PolarHBondContact O-N 3.05Å; E215-K320 WeakPolarHBondContact OE1-CD 3.41Å; E215-K320 WeakPolarHBondContact OE1-CE 3.25Å; E215-K320 IonicContact OE1-NZ 3.67Å; E215-K320 PolarHBondContact OE1-NZ 3.22Å; K320-Y392 HydrophobicContact CB-CD1 3.79Å; K320-Y392 HydrophobicContact CB-CE1 3.7Å; K320-Y392 HydrophobicContact CD-CE1 3.78Å; K320-Y392 HydrophobicContact CG-CD1 3.96Å; K320-Y392 HydrophobicContact CG-CE1 3.45Å; K320-Y392 VanDerWaalsContact CG-CE1 3.45Å |
| 321 | F | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 151.2 | -178.7 | -62.8 | -97.3 | 0 | 0 | 0 | 111.9 | D211 G212 V213 F319 Q323 F327 R391 L393 F411 | D211-F321 WeakPolarHBondContact O-CD1 3.27Å; D211-F321 WeakPolarHBondContact O-CE1 3.41Å; G212-F321 WeakPolarHBondContact O-CA 3.5Å; V213-F321 HydrophobicContact CG2-CD1 4.06Å; V213-F321 HydrophobicContact CG2-CE1 3.48Å; V213-F321 VanDerWaalsContact CG2-CE1 3.48Å; V213-F321 HydrophobicContact CG2-CZ 3.89Å; F319-F321 HydrophobicContact CB-CE2 3.95Å; F319-F321 HydrophobicContact CB-CZ 4.31Å; F321-Q323 WeakPolarHBondContact CB-O 3.3Å; F321-Q323 PolarHBondContact O-N 3Å; F321-F327 AromaticContact CD1-CE1 3.99Å; F321-F327 HydrophobicContact CD1-CE1 3.99Å; F321-F327 AromaticContact CD1-CZ 3.95Å; F321-F327 HydrophobicContact CD1-CZ 3.95Å; F321-F327 HydrophobicContact CD2-CE1 4.32Å; F321-F327 AromaticContact CD2-CZ 3.74Å; F321-F327 HydrophobicContact CD2-CZ 3.74Å; F321-F327 AromaticContact CE1-CE1 3.54Å; F321-F327 HydrophobicContact CE1-CE1 3.54Å; F321-F327 AromaticContact CE1-CZ 3.9Å; F321-F327 HydrophobicContact CE1-CZ 3.9Å; F321-F327 AromaticContact CE2-CE1 3.92Å; F321-F327 HydrophobicContact CE2-CE1 3.92Å; F321-F327 AromaticContact CE2-CZ 3.71Å; F321-F327 HydrophobicContact CE2-CZ 3.71Å; F321-F327 HydrophobicContact CG-CE1 4.37Å; F321-F327 AromaticContact CG-CZ 3.88Å; F321-F327 HydrophobicContact CG-CZ 3.88Å; F321-F327 AromaticContact CZ-CE1 3.51Å; F321-F327 HydrophobicContact CZ-CE1 3.51Å; F321-F327 AromaticContact CZ-CZ 3.8Å; F321-F327 HydrophobicContact CZ-CZ 3.8Å; F321-R391 WeakPolarHBondContact CD2-O 2.89Å; F321-R391 PolarHBondContact N-O 2.81Å; F321-R391 WeakPolarHBondContact O-CG 3.31Å; F321-R391 PolarHBondContact O-NE 3.36Å; F321-R391 PolarHBondContact O-NH2 2.67Å; F321-L393 HydrophobicContact CE2-CB 4.22Å; F321-L393 HydrophobicContact CE2-CD1 4.05Å; F321-L393 HydrophobicContact CE2-CD2 4.38Å; F321-L393 HydrophobicContact CE2-CG 4.43Å; F321-L393 HydrophobicContact CZ-CD2 4.49Å; F321-F411 HydrophobicContact CE1-CB 4.12Å; F321-F411 HydrophobicContact CE1-CD1 4.32Å; F321-F411 AromaticContact CE1-CD2 3.98Å; F321-F411 HydrophobicContact CE1-CD2 3.98Å; F321-F411 HydrophobicContact CE1-CE2 4.46Å; F321-F411 AromaticContact CE1-CG 3.9Å; F321-F411 HydrophobicContact CE1-CG 3.9Å; F321-F411 HydrophobicContact CZ-CB 4.41Å; F321-F411 AromaticContact CZ-CD1 3.77Å; F321-F411 HydrophobicContact CZ-CD1 3.77Å; F321-F411 AromaticContact CZ-CD2 3.81Å; F321-F411 HydrophobicContact CZ-CD2 3.81Å; F321-F411 AromaticContact CZ-CE1 3.85Å; F321-F411 HydrophobicContact CZ-CE1 3.85Å; F321-F411 AromaticContact CZ-CE2 3.89Å; F321-F411 HydrophobicContact CZ-CE2 3.89Å; F321-F411 AromaticContact CZ-CG 3.74Å; F321-F411 HydrophobicContact CZ-CG 3.74Å; F321-F411 AromaticContact CZ-CZ 3.92Å; F321-F411 HydrophobicContact CZ-CZ 3.92Å |
| 322 | D | 93.9 | Very high | 93.5 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 19% | 0.187 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.3 | -48.6 | 176.4 | 54.5 | -6.2 | 0 | 0 | 0 | 112.3 | L116 G212 V214 R325 R391 | L116-D322 HydrophobicContact CD1-CB 4.01Å; G212-D322 PolarHBondContact O-N 2.98Å; V214-D322 HydrophobicContact CG1-CB 3.77Å; D322-R325 IonicContact OD1-CZ 2.67Å; D322-R325 VanDerWaalsContact OD1-CZ 3.31Å; D322-R325 IonicContact OD1-NE 3.45Å; D322-R325 PolarHBondContact OD1-NE 2.66Å; D322-R325 IonicContact OD1-NH2 2.61Å; D322-R325 PolarHBondContact OD1-NH2 3.08Å; D322-R325 IonicContact OD2-CZ 3.18Å; D322-R325 IonicContact OD2-NH2 3.38Å; D322-R325 PolarHBondContact OD2-NH2 3.36Å; D322-R391 PolarHBondContact O-NE 2.82Å; D322-R391 PolarHBondContact O-NH2 2.87Å |
| 323 | Q | 92.4 | Very high | 94.7 | Very high | 87 Ų | 87 | 20.9 Ų | 20.9 | 41% | 0.407 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 173.8 | 173.5 | 58.2 | -169.1 | -23.8 | 0 | 0 | 110.3 | F321 Y415 | F321-Q323 WeakPolarHBondContact CB-O 3.3Å; F321-Q323 PolarHBondContact O-N 3Å; Q323-Y415 HydrophobicContact CG-CD1 4.38Å |
| 324 | A | 94 | Very high | 95.2 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 12% | 0.116 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | G390 R391 L416 L422 | A324-G390 CarbonylContact C-O 3.47Å; A324-G390 VanDerWaalsContact CA-O 3.26Å; A324-G390 WeakPolarHBondContact CA-O 3.46Å; A324-R391 HydrophobicContact CB-CB 4.18Å; A324-L416 HydrophobicContact CB-CD1 3.86Å; A324-L422 HydrophobicContact CB-CD1 3.18Å |
| 325 | R | 94.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 156.8 | -168.5 | -75.4 | 160.4 | 173.3 | -93.1 | 1 | 110.5 | N210 G212 D322 F327 I389 G390 S413 S414 Y415 | N210-R325 PolarHBondContact O-NH1 2.89Å; G212-R325 VanDerWaalsContact CA-CZ 3.45Å; D322-R325 IonicContact OD1-CZ 2.67Å; D322-R325 VanDerWaalsContact OD1-CZ 3.31Å; D322-R325 IonicContact OD1-NE 3.45Å; D322-R325 PolarHBondContact OD1-NE 2.66Å; D322-R325 IonicContact OD1-NH2 2.61Å; D322-R325 PolarHBondContact OD1-NH2 3.08Å; D322-R325 IonicContact OD2-CZ 3.18Å; D322-R325 IonicContact OD2-NH2 3.38Å; D322-R325 PolarHBondContact OD2-NH2 3.36Å; R325-F327 HydrophobicContact CB-CE1 4.37Å; R325-F327 HydrophobicContact CB-CE2 3.89Å; R325-F327 HydrophobicContact CB-CZ 3.81Å; R325-F327 WeakPolarHBondContact O-CD2 3.29Å; R325-F327 WeakPolarHBondContact O-CE2 3.04Å; R325-I389 WeakPolarHBondContact O-CA 3.46Å; R325-G390 PolarHBondContact N-O 2.83Å; R325-G390 PolarHBondContact O-N 3.32Å; R325-G390 VanDerWaalsContact O-N 3.11Å; R325-S413 PolarHBondContact NH1-OG 3.44Å; R325-S414 WeakPolarHBondContact CA-O 3.39Å; R325-Y415 PolarHBondContact NH2-OH 3.35Å |
| 326 | N | 94.8 | Very high | 95.3 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 18% | 0.176 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.8 | 169.2 | -178.8 | -44 | 0 | 0 | 0 | 108.5 | F387 I389 S413 S414 L416 | N326-F387 PolarHBondContact ND2-O 2.86Å; N326-F387 VanDerWaalsContact ND2-O 3.16Å; N326-F387 VanDerWaalsContact OD1-C 3.27Å; N326-F387 WeakPolarHBondContact OD1-CA 3.4Å; N326-F387 VanDerWaalsContact OD1-CB 3.31Å; N326-F387 WeakPolarHBondContact OD1-CB 3.49Å; N326-F387 WeakPolarHBondContact OD1-CD1 3.32Å; N326-F387 PolarHBondContact OD1-O 2.78Å; N326-I389 HydrophobicContact CB-CG1 4.26Å; N326-S413 CarbonylContact O-C 3.49Å; N326-S413 WeakPolarHBondContact O-CA 3.4Å; N326-S413 VanDerWaalsContact O-CB 3.25Å; N326-S413 WeakPolarHBondContact O-CB 3.02Å; N326-S414 PolarHBondContact N-O 3.05Å; N326-S414 PolarHBondContact O-N 2.93Å; N326-L416 HydrophobicContact CB-CD2 4.06Å |
| 327 | F | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.4 | -171.6 | -67.7 | -83.5 | 0 | 0 | 0 | 112.3 | F321 R325 F351 L385 F387 R388 G390 L393 F411 | F321-F327 AromaticContact CD1-CE1 3.99Å; F321-F327 HydrophobicContact CD1-CE1 3.99Å; F321-F327 AromaticContact CD1-CZ 3.95Å; F321-F327 HydrophobicContact CD1-CZ 3.95Å; F321-F327 HydrophobicContact CD2-CE1 4.32Å; F321-F327 AromaticContact CD2-CZ 3.74Å; F321-F327 HydrophobicContact CD2-CZ 3.74Å; F321-F327 AromaticContact CE1-CE1 3.54Å; F321-F327 HydrophobicContact CE1-CE1 3.54Å; F321-F327 AromaticContact CE1-CZ 3.9Å; F321-F327 HydrophobicContact CE1-CZ 3.9Å; F321-F327 AromaticContact CE2-CE1 3.92Å; F321-F327 HydrophobicContact CE2-CE1 3.92Å; F321-F327 AromaticContact CE2-CZ 3.71Å; F321-F327 HydrophobicContact CE2-CZ 3.71Å; F321-F327 HydrophobicContact CG-CE1 4.37Å; F321-F327 AromaticContact CG-CZ 3.88Å; F321-F327 HydrophobicContact CG-CZ 3.88Å; F321-F327 AromaticContact CZ-CE1 3.51Å; F321-F327 HydrophobicContact CZ-CE1 3.51Å; F321-F327 AromaticContact CZ-CZ 3.8Å; F321-F327 HydrophobicContact CZ-CZ 3.8Å; R325-F327 HydrophobicContact CB-CE1 4.37Å; R325-F327 HydrophobicContact CB-CE2 3.89Å; R325-F327 HydrophobicContact CB-CZ 3.81Å; R325-F327 WeakPolarHBondContact O-CD2 3.29Å; R325-F327 WeakPolarHBondContact O-CE2 3.04Å; F327-F351 HydrophobicContact CB-CE1 4.32Å; F327-F351 HydrophobicContact CD2-CD1 4.48Å; F327-F351 HydrophobicContact CD2-CE1 4.13Å; F327-F351 HydrophobicContact CG-CE1 4.43Å; F327-L385 HydrophobicContact CB-CB 4.02Å; F327-L385 HydrophobicContact CB-CD1 3.8Å; F327-L385 HydrophobicContact CD1-CD1 4.48Å; F327-L385 HydrophobicContact CG-CD1 4.39Å; F327-L385 WeakPolarHBondContact O-CB 3.29Å; F327-F387 WeakPolarHBondContact O-CA 3.23Å; F327-F387 PolarHBondContact O-N 3.26Å; F327-R388 PolarHBondContact N-O 3.24Å; F327-G390 WeakPolarHBondContact CE2-O 3.28Å; F327-L393 HydrophobicContact CD1-CD2 4.04Å; F327-L393 HydrophobicContact CD2-CD1 3.9Å; F327-L393 HydrophobicContact CD2-CD2 4.46Å; F327-L393 HydrophobicContact CE1-CD1 4.28Å; F327-L393 HydrophobicContact CE1-CD2 4.11Å; F327-L393 HydrophobicContact CE2-CD1 3.47Å; F327-L393 VanDerWaalsContact CE2-CD1 3.47Å; F327-L393 HydrophobicContact CG-CD1 4.46Å; F327-L393 HydrophobicContact CG-CD2 4.23Å; F327-L393 HydrophobicContact CZ-CD1 3.69Å; F327-L393 HydrophobicContact CZ-CD2 4.35Å; F327-F411 HydrophobicContact CD1-CD1 4.39Å; F327-F411 HydrophobicContact CE1-CD1 4.37Å |
| 328 | S | 96.7 | Very high | 93.7 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 21% | 0.21 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -51.3 | 176.2 | 56 | 0 | 0 | 0 | 0 | 111.8 | L385 E412 | S328-L385 PolarHBondContact O-N 2.88Å; S328-E412 PolarHBondContact N-O 3.4Å; S328-E412 VanDerWaalsContact OG-CB 3.27Å; S328-E412 WeakPolarHBondContact OG-CB 3.33Å; S328-E412 PolarHBondContact OG-O 3.32Å |
| 329 | Q | 97.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.6 | -173.4 | -166.8 | 175.8 | 98.3 | 0 | 0 | 111.1 | P382 I383 D384 E412 | Q329-P382 HydrophobicContact CG-CB 4.31Å; Q329-I383 WeakPolarHBondContact CA-O 3.37Å; Q329-I383 WeakPolarHBondContact CG-O 3.41Å; Q329-D384 PolarHBondContact NE2-OD1 3.23Å; Q329-E412 HydrophobicContact CB-CB 4.36Å; Q329-E412 PolarHBondContact N-O 2.94Å; Q329-E412 PolarHBondContact O-N 3.4Å |
| 330 | I | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.5 | 163.3 | -176.7 | -174 | 0 | 0 | 0 | 108.8 | I332 P382 I383 L385 I395 V409 T410 F411 | I330-I332 HydrophobicContact CD1-CD1 4.34Å; I330-I332 HydrophobicContact CD1-CG1 4.14Å; I330-I332 HydrophobicContact CG1-CG1 4.39Å; I330-P382 CarbonylContact O-C 3.52Å; I330-P382 WeakPolarHBondContact O-CA 3.46Å; I330-I383 HydrophobicContact CG2-CB 3.78Å; I330-I383 HydrophobicContact CG2-CD1 3.96Å; I330-I383 HydrophobicContact CG2-CG1 4.44Å; I330-I383 PolarHBondContact N-O 3.08Å; I330-I383 PolarHBondContact O-N 3.46Å; I330-L385 HydrophobicContact CB-CD1 3.98Å; I330-L385 HydrophobicContact CB-CG 4.45Å; I330-L385 HydrophobicContact CG2-CD1 4.01Å; I330-L385 HydrophobicContact CG2-CD2 3.88Å; I330-L385 HydrophobicContact CG2-CG 4.04Å; I330-I395 HydrophobicContact CD1-CD1 3.3Å; I330-V409 HydrophobicContact CD1-CG1 3.73Å; I330-V409 HydrophobicContact CG1-CG1 3.97Å; I330-T410 CarbonylContact C-O 3.55Å; I330-T410 WeakPolarHBondContact CA-O 3.42Å; I330-T410 WeakPolarHBondContact CG1-O 3.31Å; I330-F411 HydrophobicContact CB-CD1 4.07Å; I330-F411 HydrophobicContact CB-CE1 4.17Å; I330-F411 HydrophobicContact CD1-CD1 4.1Å; I330-F411 HydrophobicContact CD1-CE1 3.4Å; I330-F411 VanDerWaalsContact CD1-CE1 3.4Å; I330-F411 HydrophobicContact CD1-CZ 3.7Å; I330-F411 HydrophobicContact CG1-CD1 3.85Å; I330-F411 HydrophobicContact CG1-CE1 3.69Å; I330-F411 HydrophobicContact CG1-CG 4.49Å; I330-F411 HydrophobicContact CG1-CZ 4.2Å |
| 331 | R | 97.1 | Very high | 91.8 | Very high | 79 Ų | 79 | 30.8 Ų | 30.8 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.4 | 169.1 | -49.1 | -173.3 | 177.2 | 110.1 | 17 | 110.5 | W380 V381 P382 T410 E412 | R331-W380 HydrophobicContact CB-CE3 3.68Å; R331-W380 HydrophobicContact CB-CZ3 4.16Å; R331-V381 WeakPolarHBondContact CA-O 3.21Å; R331-P382 HydrophobicContact CG-CB 4.2Å; R331-T410 PolarHBondContact N-O 2.88Å; R331-T410 PolarHBondContact O-N 3.21Å; R331-E412 IonicContact CZ-OE1 2.75Å; R331-E412 IonicContact CZ-OE2 2.69Å; R331-E412 IonicContact NH1-OE1 3.49Å; R331-E412 PolarHBondContact NH1-OE1 3.5Å; R331-E412 IonicContact NH2-OE1 3.46Å; R331-E412 PolarHBondContact NH2-OE1 2.91Å; R331-E412 IonicContact NH2-OE2 3.86Å; R331-E412 PolarHBondContact NH2-OE2 3.44Å |
| 332 | I | 97.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.8 | 176.7 | -54.5 | -178.5 | 0 | 0 | 0 | 108.2 | I330 T334 F344 I347 V381 I383 L397 I406 V409 | I330-I332 HydrophobicContact CD1-CD1 4.34Å; I330-I332 HydrophobicContact CD1-CG1 4.14Å; I330-I332 HydrophobicContact CG1-CG1 4.39Å; I332-T334 HydrophobicContact CB-CG2 4.33Å; I332-T334 HydrophobicContact CG2-CG2 3.65Å; I332-F344 HydrophobicContact CB-CE1 4.3Å; I332-F344 HydrophobicContact CD1-CE1 4.05Å; I332-F344 HydrophobicContact CD1-CZ 4Å; I332-F344 HydrophobicContact CG2-CE1 4.21Å; I332-I347 HydrophobicContact CD1-CD1 3.85Å; I332-V381 PolarHBondContact N-O 3.19Å; I332-V381 PolarHBondContact O-N 3.44Å; I332-I383 HydrophobicContact CD1-CD1 4.42Å; I332-I383 HydrophobicContact CG1-CD1 4.38Å; I332-L397 HydrophobicContact CD1-CD2 4.19Å; I332-I406 HydrophobicContact CG2-CB 4.34Å; I332-I406 HydrophobicContact CG2-CG2 4.06Å; I332-V409 HydrophobicContact CG1-CG1 4.4Å; I332-V409 HydrophobicContact CG1-CG2 4.38Å; I332-V409 HydrophobicContact CG2-CG2 4.24Å |
| 333 | H | 96.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.8 | 172.4 | -167.7 | -95.1 | 0 | 0 | 0 | 110.5 | Y281 F282 W380 I406 S407 E408 | Y281-H333 AromaticContact CD2-CD2 3.88Å; Y281-H333 AromaticContact CD2-NE2 3.74Å; F282-H333 PolarHBondContact O-CE1 3.05Å; F282-H333 VanDerWaalsContact O-CE1 3.29Å; H333-W380 HydrophobicContact CB-CD2 3.99Å; H333-W380 HydrophobicContact CB-CE3 3.79Å; H333-W380 HydrophobicContact CB-CH2 3.85Å; H333-W380 HydrophobicContact CB-CZ2 4Å; H333-W380 HydrophobicContact CB-CZ3 3.73Å; H333-W380 AromaticContact CD2-CD1 3.79Å; H333-W380 AromaticContact CD2-CD2 3.82Å; H333-W380 AromaticContact CD2-CE2 3.65Å; H333-W380 AromaticContact CD2-CG 3.92Å; H333-W380 AromaticContact CD2-NE1 3.6Å; H333-I406 CarbonylContact O-C 3.58Å; H333-I406 WeakPolarHBondContact O-CA 3.4Å; H333-I406 WeakPolarHBondContact O-CB 3.28Å; H333-S407 PolarHBondContact ND1-OG 3.4Å; H333-S407 PolarHBondContact O-N 3.35Å; H333-E408 HydrophobicContact CB-CB 4.43Å; H333-E408 PolarHBondContact N-O 3.22Å |
| 334 | T | 95 | Very high | 91.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.8 | -166.8 | 54 | 0 | 0 | 0 | 0 | 111.8 | I332 L343 F344 P378 R379 V381 I406 | I332-T334 HydrophobicContact CB-CG2 4.33Å; I332-T334 HydrophobicContact CG2-CG2 3.65Å; T334-L343 WeakPolarHBondContact OG1-CD2 3.27Å; T334-F344 HydrophobicContact CG2-CD1 4.2Å; T334-F344 HydrophobicContact CG2-CE1 3.78Å; T334-P378 CarbonylContact O-C 3.46Å; T334-P378 WeakPolarHBondContact O-CA 3.34Å; T334-R379 PolarHBondContact N-O 3.29Å; T334-R379 PolarHBondContact O-N 3.28Å; T334-R379 PolarHBondContact OG1-O 3.4Å; T334-V381 HydrophobicContact CG2-CG2 4.47Å; T334-V381 WeakPolarHBondContact OG1-CG2 3.49Å; T334-I406 HydrophobicContact CG2-CG2 3.85Å |
| 335 | L | 92.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | trans | -91.2 | 147.3 | 174.2 | -76.9 | 65 | 0 | 0 | 0 | 110.3 | F282 L286 V299 I341 P378 V405 | F282-L335 HydrophobicContact CD1-CD2 4.18Å; F282-L335 HydrophobicContact CE1-CD2 4.44Å; L286-L335 HydrophobicContact CD1-CD2 4.49Å; L286-L335 HydrophobicContact CD2-CD2 3.75Å; L286-L335 HydrophobicContact CG-CD2 3.85Å; V299-L335 HydrophobicContact CG1-CD1 4.01Å; V299-L335 HydrophobicContact CG1-CD2 4.4Å; L335-I341 HydrophobicContact CB-CG2 3.99Å; L335-P378 HydrophobicContact CD1-CB 4.42Å; L335-P378 HydrophobicContact CG-CB 4.23Å; L335-P378 HydrophobicContact CG-CG 4.06Å; L335-V405 HydrophobicContact CB-CB 4.33Å; L335-V405 HydrophobicContact CD1-CG1 4.3Å; L335-V405 HydrophobicContact CD2-CB 4.41Å; L335-V405 HydrophobicContact CD2-CG1 3.99Å; L335-V405 PolarHBondContact N-O 3.3Å | ||
| 336 | N | 90.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | trans | -132.3 | 46.9 | 179.6 | -162.8 | 44 | 0 | 0 | 0 | 112.7 | L338 I341 L343 D372 N375 S376 | N336-L338 PolarHBondContact O-N 2.74Å; N336-L338 VanDerWaalsContact O-N 3.08Å; N336-I341 CarbonylContact C-O 3.56Å; N336-I341 VanDerWaalsContact C-O 3.29Å; N336-L343 HydrophobicContact CB-CD2 4.06Å; N336-L343 HydrophobicContact CB-CG 4.27Å; N336-L343 PolarHBondContact OD1-N 2.95Å; N336-D372 PolarHBondContact ND2-O 3.08Å; N336-N375 PolarHBondContact ND2-O 3.27Å; N336-S376 CarbonylContact C-O 3.54Å; N336-S376 CarbonylContact O-C 3.57Å; N336-S376 VanDerWaalsContact O-CA 3.28Å; N336-S376 WeakPolarHBondContact O-CA 3.27Å | ||
| 337 | S | 82.3 | Confident | 91.7 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | trans | -74.2 | 99 | 177.5 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | D339 Y340 I341 | S337-D339 PolarHBondContact O-N 3.27Å; S337-Y340 PolarHBondContact O-N 3.38Å; S337-I341 CarbonylContact C-O 3.5Å; S337-I341 PolarHBondContact N-O 3.31Å; S337-I341 CarbonylContact O-C 3.51Å; S337-I341 PolarHBondContact O-N 3.37Å | ||
| 338 | L | 71.4 | Confident | 91.6 | Very high | 59 Ų | 59 | 33.8 Ų | 33.8 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -20.7 | -169 | -60.2 | 174.9 | 0 | 0 | 0 | 116.2 | N336 I373 | N336-L338 PolarHBondContact O-N 2.74Å; N336-L338 VanDerWaalsContact O-N 3.08Å; L338-I373 WeakPolarHBondContact CD1-O 3.36Å |
| 339 | D | 75.8 | Confident | 91.6 | Very high | 114 Ų | 114 | 32.4 Ų | 32.4 | 61% | 0.61 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -46.4 | 178.1 | -57.6 | -58.4 | 0 | 0 | 0 | 112.7 | S337 Y401 | S337-D339 PolarHBondContact O-N 3.27Å; D339-Y401 WeakPolarHBondContact O-CE1 3.19Å |
| 340 | Y | 84.8 | Confident | 91.5 | Very high | 123 Ų | 123 | 31 Ų | 31 | 48% | 0.482 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -151.5 | -13.3 | -175.9 | -64.5 | -72.8 | 0 | 0 | 0 | 115.2 | S337 W403 | S337-Y340 PolarHBondContact O-N 3.38Å; Y340-W403 PolarHBondContact O-N 2.97Å |
| 341 | I | 88.9 | Confident | 91.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -116.3 | 118.2 | -170.9 | -60.7 | 158.9 | 0 | 0 | 0 | 109 | Y224 L286 L335 N336 S337 W403 V405 | Y224-I341 HydrophobicContact CE2-CD1 3.95Å; Y224-I341 HydrophobicContact CE2-CG1 4.14Å; L286-I341 HydrophobicContact CD1-CD1 3.49Å; L286-I341 VanDerWaalsContact CD1-CD1 3.49Å; L286-I341 HydrophobicContact CG-CD1 4.31Å; L335-I341 HydrophobicContact CB-CG2 3.99Å; N336-I341 CarbonylContact C-O 3.56Å; N336-I341 VanDerWaalsContact C-O 3.29Å; S337-I341 CarbonylContact C-O 3.5Å; S337-I341 PolarHBondContact N-O 3.31Å; S337-I341 CarbonylContact O-C 3.51Å; S337-I341 PolarHBondContact O-N 3.37Å; I341-W403 HydrophobicContact CB-CB 4.34Å; I341-W403 HydrophobicContact CG1-CB 3.73Å; I341-W403 HydrophobicContact CG1-CG 4.31Å; I341-V405 HydrophobicContact CD1-CG2 4.17Å; I341-V405 HydrophobicContact CG1-CG2 4.09Å; I341-V405 HydrophobicContact CG2-CB 3.97Å; I341-V405 HydrophobicContact CG2-CG2 3.8Å |
| 342 | A | 91.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | trans | -122.8 | 163.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D400 W403 | A342-D400 HydrophobicContact CB-CB 4.19Å; A342-W403 PolarHBondContact N-O 2.87Å; A342-W403 VanDerWaalsContact N-O 3.08Å | ||
| 343 | L | 93 | Very high | 91.1 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -54.5 | 154.9 | 161.2 | -50.8 | 179.4 | 0 | 0 | 0 | 110.5 | T334 N336 I369 D372 V381 D400 | T334-L343 WeakPolarHBondContact OG1-CD2 3.27Å; N336-L343 HydrophobicContact CB-CD2 4.06Å; N336-L343 HydrophobicContact CB-CG 4.27Å; N336-L343 PolarHBondContact OD1-N 2.95Å; L343-I369 HydrophobicContact CD1-CG2 4.42Å; L343-D372 HydrophobicContact CD1-CB 4.45Å; L343-V381 HydrophobicContact CD2-CG2 4.39Å; L343-D400 WeakPolarHBondContact O-CB 3.48Å | ||
| 344 | F | 94.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 137.7 | 167.3 | 51.6 | -94.1 | 0 | 0 | 0 | 109.8 | I332 T334 I347 I369 V381 I383 L397 W398 I404 | I332-F344 HydrophobicContact CB-CE1 4.3Å; I332-F344 HydrophobicContact CD1-CE1 4.05Å; I332-F344 HydrophobicContact CD1-CZ 4Å; I332-F344 HydrophobicContact CG2-CE1 4.21Å; T334-F344 HydrophobicContact CG2-CD1 4.2Å; T334-F344 HydrophobicContact CG2-CE1 3.78Å; F344-I347 HydrophobicContact CD2-CB 3.95Å; F344-I347 HydrophobicContact CD2-CG2 4.39Å; F344-I347 HydrophobicContact CE2-CB 3.62Å; F344-I347 HydrophobicContact CE2-CD1 4.19Å; F344-I347 HydrophobicContact CE2-CG1 4.46Å; F344-I347 HydrophobicContact CE2-CG2 3.76Å; F344-I347 HydrophobicContact CZ-CD1 4.31Å; F344-I369 HydrophobicContact CD2-CD1 3.95Å; F344-I369 HydrophobicContact CE2-CD1 3.35Å; F344-I369 HydrophobicContact CE2-CG1 4.38Å; F344-I369 HydrophobicContact CZ-CD1 3.98Å; F344-V381 HydrophobicContact CE2-CG1 4.37Å; F344-V381 HydrophobicContact CZ-CB 4.31Å; F344-V381 HydrophobicContact CZ-CG1 3.83Å; F344-I383 HydrophobicContact CZ-CD1 4.4Å; F344-L397 HydrophobicContact CB-CB 4.05Å; F344-L397 HydrophobicContact CB-CD2 4.48Å; F344-L397 HydrophobicContact CD1-CD1 4Å; F344-L397 HydrophobicContact CD1-CD2 3.94Å; F344-L397 HydrophobicContact CD1-CG 4.43Å; F344-L397 HydrophobicContact CD2-CD2 3.95Å; F344-L397 HydrophobicContact CE1-CD1 4.43Å; F344-L397 HydrophobicContact CE1-CD2 4.09Å; F344-L397 HydrophobicContact CE2-CD2 4.09Å; F344-L397 HydrophobicContact CG-CB 4.35Å; F344-L397 HydrophobicContact CG-CD1 4.46Å; F344-L397 HydrophobicContact CG-CD2 3.87Å; F344-L397 HydrophobicContact CG-CG 4.45Å; F344-L397 HydrophobicContact CZ-CD2 4.16Å; F344-W398 CarbonylContact C-O 3.59Å; F344-W398 VanDerWaalsContact CA-O 3.28Å; F344-W398 WeakPolarHBondContact CA-O 3.31Å; F344-W398 WeakPolarHBondContact CB-O 3.41Å; F344-I404 HydrophobicContact CB-CD1 3.78Å; F344-I404 HydrophobicContact CB-CG1 4.34Å |
| 345 | R | 93.7 | Very high | 90.6 | Very high | 149 Ų | 149 | 30.5 Ų | 30.5 | 56% | 0.562 | 15% | 0.152 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -33.5 | -178.9 | 173.8 | 171.5 | 167.4 | 151.7 | -0.7 | 112.7 | I369 W398 D400 | R345-I369 PolarHBondContact O-N 3.4Å; R345-W398 PolarHBondContact N-O 3.2Å; R345-D400 HydrophobicContact CB-CB 3.84Å |
| 346 | R | 94.8 | Very high | 90.3 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.3 | 179 | -175.3 | 176.9 | -79.5 | -157.2 | -10.5 | 108.8 | V366 V367 D368 W398 | R346-V366 HydrophobicContact CG-CG1 4.08Å; R346-V367 WeakPolarHBondContact CA-O 3.39Å; R346-D368 WeakPolarHBondContact CB-OD1 3.33Å; R346-D368 IonicContact CZ-OD1 2.69Å; R346-D368 IonicContact CZ-OD2 3.96Å; R346-D368 IonicContact NE-OD1 3.04Å; R346-D368 PolarHBondContact NE-OD1 2.89Å; R346-D368 IonicContact NE-OD2 3.32Å; R346-D368 PolarHBondContact NE-OD2 3.35Å; R346-D368 IonicContact NH2-OD1 3.18Å; R346-D368 PolarHBondContact NH2-OD1 3.43Å; R346-D368 IonicContact NH2-OD2 2.78Å; R346-D368 PolarHBondContact NH2-OD2 2.93Å; R346-W398 HydrophobicContact CB-CB 4.1Å; R346-W398 HydrophobicContact CB-CD2 4.26Å; R346-W398 HydrophobicContact CB-CE3 3.96Å; R346-W398 HydrophobicContact CB-CG 4.35Å; R346-W398 HydrophobicContact CG-CD2 4.5Å; R346-W398 HydrophobicContact CG-CE3 3.98Å; R346-W398 HydrophobicContact CG-CZ3 4.37Å; R346-W398 PolarHBondContact O-N 2.96Å |
| 347 | I | 96.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.1 | 168.2 | 179.2 | 169.4 | 0 | 0 | 0 | 109.3 | I332 F344 V349 V366 V367 I383 I395 T396 L397 | I332-I347 HydrophobicContact CD1-CD1 3.85Å; F344-I347 HydrophobicContact CD2-CB 3.95Å; F344-I347 HydrophobicContact CD2-CG2 4.39Å; F344-I347 HydrophobicContact CE2-CB 3.62Å; F344-I347 HydrophobicContact CE2-CD1 4.19Å; F344-I347 HydrophobicContact CE2-CG1 4.46Å; F344-I347 HydrophobicContact CE2-CG2 3.76Å; F344-I347 HydrophobicContact CZ-CD1 4.31Å; I347-V349 HydrophobicContact CD1-CG2 3.96Å; I347-V349 HydrophobicContact CG1-CG2 3.98Å; I347-V366 WeakPolarHBondContact O-CA 3.39Å; I347-V367 HydrophobicContact CG2-CB 3.91Å; I347-V367 PolarHBondContact N-O 2.59Å; I347-V367 PolarHBondContact O-N 3.19Å; I347-I383 HydrophobicContact CD1-CD1 3.88Å; I347-I383 HydrophobicContact CD1-CG1 4.14Å; I347-I383 HydrophobicContact CG2-CG1 4.1Å; I347-I383 HydrophobicContact CG2-CG2 4.47Å; I347-I395 HydrophobicContact CD1-CG2 3.88Å; I347-I395 HydrophobicContact CG1-CG2 4.06Å; I347-T396 VanDerWaalsContact CA-O 3.32Å; I347-T396 WeakPolarHBondContact CA-O 3.48Å; I347-L397 HydrophobicContact CB-CD2 3.96Å; I347-L397 HydrophobicContact CD1-CD2 3.75Å; I347-L397 HydrophobicContact CG1-CD2 3.72Å |
| 348 | S | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.2 | 167.3 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | V365 I395 T396 F437 | S348-V365 CarbonylContact C-O 3.55Å; S348-V365 VanDerWaalsContact CA-O 3.3Å; S348-V365 WeakPolarHBondContact CA-O 3.28Å; S348-I395 WeakPolarHBondContact O-CA 3.46Å; S348-T396 PolarHBondContact N-O 3.3Å; S348-T396 PolarHBondContact O-N 2.7Å; S348-F437 VanDerWaalsContact CB-CZ 3.49Å; S348-F437 WeakPolarHBondContact OG-CE1 3.39Å; S348-F437 WeakPolarHBondContact OG-CZ 3.42Å |
| 349 | V | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.4 | 177 | -173.9 | 0 | 0 | 0 | 0 | 109 | I347 F351 V365 L385 L393 I395 | I347-V349 HydrophobicContact CD1-CG2 3.96Å; I347-V349 HydrophobicContact CG1-CG2 3.98Å; V349-F351 HydrophobicContact CB-CE2 4.41Å; V349-F351 HydrophobicContact CG1-CE2 3.99Å; V349-F351 HydrophobicContact CG1-CZ 3.91Å; V349-F351 WeakPolarHBondContact O-CE2 3.34Å; V349-V365 HydrophobicContact CB-CB 4.33Å; V349-V365 PolarHBondContact N-O 3.38Å; V349-V365 PolarHBondContact O-N 3.35Å; V349-L385 HydrophobicContact CB-CD2 3.97Å; V349-L385 HydrophobicContact CG1-CD2 3.91Å; V349-L385 HydrophobicContact CG2-CD2 3.99Å; V349-L393 HydrophobicContact CG1-CB 4.42Å; V349-L393 HydrophobicContact CG1-CD2 4.03Å; V349-L393 HydrophobicContact CG1-CG 4.07Å; V349-I395 HydrophobicContact CG1-CG1 4.28Å; V349-I395 HydrophobicContact CG2-CG1 4.3Å; V349-I395 HydrophobicContact CG2-CG2 4.47Å |
| 350 | Q | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140 | -170.7 | -58.5 | -176.5 | -80.2 | 0 | 0 | 109.5 | F358 D359 P364 L393 R394 | Q350-F358 HydrophobicContact CB-CB 4.32Å; Q350-F358 HydrophobicContact CB-CD1 4.04Å; Q350-D359 VanDerWaalsContact CA-OD1 3.23Å; Q350-D359 WeakPolarHBondContact CA-OD1 3.1Å; Q350-D359 VanDerWaalsContact CB-OD1 3.22Å; Q350-D359 WeakPolarHBondContact CB-OD1 3.47Å; Q350-D359 WeakPolarHBondContact CG-OD2 3.32Å; Q350-D359 PolarHBondContact NE2-OD2 2.88Å; Q350-P364 HydrophobicContact CG-CB 4.06Å; Q350-L393 WeakPolarHBondContact O-CA 3.4Å; Q350-R394 HydrophobicContact CB-CB 4.24Å; Q350-R394 PolarHBondContact N-O 3Å; Q350-R394 PolarHBondContact O-N 3.5Å; Q350-R394 VanDerWaalsContact OE1-CZ 3.32Å |
| 351 | F | 95.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.022 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 142 | -167.1 | -63.4 | -99.4 | 0 | 0 | 0 | 111.9 | F327 V349 F358 D359 V365 L385 R388 L393 | F327-F351 HydrophobicContact CB-CE1 4.32Å; F327-F351 HydrophobicContact CD2-CD1 4.48Å; F327-F351 HydrophobicContact CD2-CE1 4.13Å; F327-F351 HydrophobicContact CG-CE1 4.43Å; V349-F351 HydrophobicContact CB-CE2 4.41Å; V349-F351 HydrophobicContact CG1-CE2 3.99Å; V349-F351 HydrophobicContact CG1-CZ 3.91Å; V349-F351 WeakPolarHBondContact O-CE2 3.34Å; F351-F358 WeakPolarHBondContact O-CA 3.19Å; F351-D359 PolarHBondContact N-OD1 2.9Å; F351-D359 PolarHBondContact O-N 3.28Å; F351-D359 VanDerWaalsContact O-N 3.09Å; F351-V365 HydrophobicContact CE2-CG2 3.95Å; F351-V365 HydrophobicContact CZ-CG2 4.43Å; F351-L385 HydrophobicContact CZ-CB 4.14Å; F351-L385 HydrophobicContact CZ-CD1 4.39Å; F351-L385 HydrophobicContact CZ-CD2 4.19Å; F351-L385 HydrophobicContact CZ-CG 4.46Å; F351-R388 HydrophobicContact CD1-CB 4.03Å; F351-R388 HydrophobicContact CE1-CB 3.79Å; F351-R388 HydrophobicContact CE2-CB 4.32Å; F351-R388 VanDerWaalsContact CE2-CD 3.49Å; F351-R388 HydrophobicContact CG-CB 4.39Å; F351-R388 HydrophobicContact CZ-CB 3.95Å; F351-L393 HydrophobicContact CD1-CD1 3.76Å; F351-L393 HydrophobicContact CD1-CG 4.07Å; F351-L393 HydrophobicContact CE1-CD1 3.95Å; F351-L393 HydrophobicContact CE1-CD2 4.13Å; F351-L393 HydrophobicContact CE1-CG 3.96Å |
| 352 | S | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 146.5 | 173 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | G354 G355 Y357 R391 Y392 E425 | S352-G354 PolarHBondContact OG-N 3.5Å; S352-G355 PolarHBondContact OG-N 2.94Å; S352-Y357 VanDerWaalsContact CB-O 3.3Å; S352-Y357 WeakPolarHBondContact CB-O 3.27Å; S352-Y357 PolarHBondContact OG-O 3.11Å; S352-R391 PolarHBondContact O-N 3.45Å; S352-Y392 PolarHBondContact N-O 3.21Å; S352-Y392 PolarHBondContact O-N 2.88Å; S352-E425 WeakPolarHBondContact CA-OE1 3.13Å; S352-E425 PolarHBondContact OG-OE2 2.97Å |
| 353 | N | 93 | Very high | 92.3 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -88.8 | -39 | 168.8 | -71.5 | -29.1 | 0 | 0 | 0 | 111.3 | I361 G390 Y392 H423 E425 | N353-I361 WeakPolarHBondContact ND2-CD1 3.36Å; N353-G390 WeakPolarHBondContact OD1-CA 3.27Å; N353-Y392 WeakPolarHBondContact O-CD2 3.32Å; N353-Y392 WeakPolarHBondContact O-CE2 3.43Å; N353-H423 PolarHBondContact ND2-O 3.34Å; N353-E425 VanDerWaalsContact N-CD 3.27Å; N353-E425 PolarHBondContact N-OE1 3.42Å; N353-E425 PolarHBondContact N-OE2 3.22Å |
| 354 | G | 89.8 | Confident | 92.4 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -86.8 | -15.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S352 R356 E425 | S352-G354 PolarHBondContact OG-N 3.5Å; G354-R356 VanDerWaalsContact C-N 3.26Å; G354-R356 PolarHBondContact O-N 3.31Å; G354-E425 PolarHBondContact N-OE2 3.22Å |
| 355 | G | 90.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 71.9 | 15 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S352 Y392 | S352-G355 PolarHBondContact OG-N 2.94Å; G355-Y392 VanDerWaalsContact CA-CD2 3.42Å; G355-Y392 VanDerWaalsContact N-CD2 3.31Å |
| 356 | R | 88.4 | Confident | 92.5 | Very high | 179 Ų | 179 | 32.7 Ų | 32.7 | 68% | 0.675 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -118.1 | -61.2 | 178.6 | -66.9 | -169 | -177.6 | -169.3 | 7.1 | 112.1 | G354 | G354-R356 VanDerWaalsContact C-N 3.26Å; G354-R356 PolarHBondContact O-N 3.31Å |
| 357 | Y | 90.5 | Very high | 92.5 | Very high | 82 Ų | 82 | 31.9 Ų | 31.9 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -95.7 | 118.6 | 177.8 | -49 | -70.5 | 0 | 0 | 0 | 108.3 | S352 E425 | S352-Y357 VanDerWaalsContact CB-O 3.3Å; S352-Y357 WeakPolarHBondContact CB-O 3.27Å; S352-Y357 PolarHBondContact OG-O 3.11Å; Y357-E425 HydrophobicContact CD2-CB 4.33Å; Y357-E425 WeakPolarHBondContact CD2-O 3.32Å |
| 358 | F | 91.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | trans | -97.8 | 161.4 | 177.2 | -71.2 | -94.6 | 0 | 0 | 0 | 110.4 | L318 Q350 F351 R360 R394 | L318-F358 HydrophobicContact CD1-CE1 4.28Å; L318-F358 HydrophobicContact CD1-CZ 3.73Å; Q350-F358 HydrophobicContact CB-CB 4.32Å; Q350-F358 HydrophobicContact CB-CD1 4.04Å; F351-F358 WeakPolarHBondContact O-CA 3.19Å; F358-R360 VanDerWaalsContact C-N 3.27Å; F358-R360 WeakPolarHBondContact O-CD 3.3Å; F358-R360 PolarHBondContact O-N 3.44Å; F358-R360 PolarHBondContact O-NE 3.14Å; F358-R394 HydrophobicContact CD1-CB 3.95Å; F358-R394 HydrophobicContact CE1-CB 3.6Å; F358-R394 HydrophobicContact CZ-CB 3.98Å | ||
| 359 | D | 88.8 | Confident | 92.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 56.8 | 32.4 | 171 | -53.9 | -20.1 | 0 | 0 | 0 | 114.7 | Q350 F351 Y362 Q432 | Q350-D359 VanDerWaalsContact CA-OD1 3.23Å; Q350-D359 WeakPolarHBondContact CA-OD1 3.1Å; Q350-D359 VanDerWaalsContact CB-OD1 3.22Å; Q350-D359 WeakPolarHBondContact CB-OD1 3.47Å; Q350-D359 WeakPolarHBondContact CG-OD2 3.32Å; Q350-D359 PolarHBondContact NE2-OD2 2.88Å; F351-D359 PolarHBondContact N-OD1 2.9Å; F351-D359 PolarHBondContact O-N 3.28Å; F351-D359 VanDerWaalsContact O-N 3.09Å; D359-Y362 VanDerWaalsContact CA-O 3.28Å; D359-Y362 WeakPolarHBondContact CA-O 3.42Å; D359-Q432 WeakPolarHBondContact O-CB 3.46Å; D359-Q432 PolarHBondContact O-N 3.29Å |
| 360 | R | 87.5 | Confident | 92 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -90.8 | -38.4 | 176.7 | -52.8 | -53 | 171.4 | 110.8 | 0.4 | 113.5 | F358 E425 S427 D429 P430 Q432 | F358-R360 VanDerWaalsContact C-N 3.27Å; F358-R360 WeakPolarHBondContact O-CD 3.3Å; F358-R360 PolarHBondContact O-N 3.44Å; F358-R360 PolarHBondContact O-NE 3.14Å; R360-E425 HydrophobicContact CB-CB 4.29Å; R360-E425 HydrophobicContact CB-CG 3.84Å; R360-E425 HydrophobicContact CG-CB 4.08Å; R360-E425 HydrophobicContact CG-CG 4.02Å; R360-S427 PolarHBondContact NH1-O 3.08Å; R360-D429 HydrophobicContact CB-CB 3.84Å; R360-D429 WeakPolarHBondContact CD-O 3.19Å; R360-D429 HydrophobicContact CG-CB 4.02Å; R360-D429 PolarHBondContact NH1-O 2.61Å; R360-P430 WeakPolarHBondContact CA-O 3.39Å; R360-Q432 VanDerWaalsContact O-CG 3.27Å; R360-Q432 WeakPolarHBondContact O-CG 3.25Å; R360-Q432 PolarHBondContact O-NE2 3.44Å |
| 361 | I | 86.6 | Confident | 91.5 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -88.6 | -34.7 | 178.2 | -52.5 | 176.4 | 0 | 0 | 0 | 110.9 | N353 E425 | N353-I361 WeakPolarHBondContact ND2-CD1 3.36Å; I361-E425 HydrophobicContact CD1-CG 4.44Å; I361-E425 WeakPolarHBondContact CD1-OE1 3.46Å; I361-E425 HydrophobicContact CG1-CG 4.37Å |
| 362 | Y | 90.2 | Very high | 90.9 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 26% | 0.263 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -139.9 | 134.8 | -170.5 | -68.2 | -63.4 | 0 | 0 | 0 | 110.9 | D359 R388 I389 | D359-Y362 VanDerWaalsContact CA-O 3.28Å; D359-Y362 WeakPolarHBondContact CA-O 3.42Å; Y362-R388 HydrophobicContact CD1-CG 4.07Å; Y362-R388 HydrophobicContact CD2-CB 4.15Å; Y362-R388 HydrophobicContact CD2-CG 4.5Å; Y362-R388 HydrophobicContact CE1-CG 4.47Å; Y362-R388 HydrophobicContact CE2-CB 4.38Å; Y362-R388 HydrophobicContact CG-CB 4.24Å; Y362-R388 HydrophobicContact CG-CG 4.08Å; Y362-I389 HydrophobicContact CE2-CB 3.95Å; Y362-I389 VanDerWaalsContact CE2-N 3.26Å; Y362-I389 WeakPolarHBondContact CE2-O 3.35Å |
| 363 | P | 91.8 | Very high | 90.4 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | trans | -69.5 | 152.1 | 174.2 | 27.3 | -33.8 | 0 | 0 | 0 | 111.7 | R388 Q432 | P363-R388 VanDerWaalsContact O-CZ 3.23Å; P363-R388 PolarHBondContact O-NH1 3.5Å; P363-R388 PolarHBondContact O-NH2 3Å; P363-Q432 WeakPolarHBondContact CA-O 3.44Å; P363-Q432 HydrophobicContact CB-CB 3.82Å; P363-Q432 HydrophobicContact CG-CB 4.38Å | ||
| 364 | P | 93.5 | Very high | 90 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | trans | -62.7 | 139.4 | -174.8 | 23.4 | -33 | 0 | 0 | 0 | 113.1 | Q350 V366 Q432 T434 F437 | Q350-P364 HydrophobicContact CG-CB 4.06Å; P364-V366 HydrophobicContact CB-CG2 4.2Å; P364-V366 HydrophobicContact CG-CG2 4.4Å; P364-V366 PolarHBondContact O-N 3.18Å; P364-Q432 VanDerWaalsContact CD-O 3.29Å; P364-Q432 WeakPolarHBondContact CD-O 3.35Å; P364-T434 WeakPolarHBondContact CD-OG1 3.29Å; P364-T434 WeakPolarHBondContact CG-OG1 3.34Å; P364-T434 PolarHBondContact O-OG1 3.02Å; P364-F437 HydrophobicContact CB-CD1 4.28Å; P364-F437 HydrophobicContact CB-CE1 4.16Å; P364-F437 HydrophobicContact CG-CD1 3.63Å; P364-F437 HydrophobicContact CG-CE1 3.92Å | ||
| 365 | V | 95.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 106.8 | 170.2 | 174.3 | 0 | 0 | 0 | 0 | 108 | S348 V349 F351 V367 I383 D384 L385 | S348-V365 CarbonylContact C-O 3.55Å; S348-V365 VanDerWaalsContact CA-O 3.3Å; S348-V365 WeakPolarHBondContact CA-O 3.28Å; V349-V365 HydrophobicContact CB-CB 4.33Å; V349-V365 PolarHBondContact N-O 3.38Å; V349-V365 PolarHBondContact O-N 3.35Å; F351-V365 HydrophobicContact CE2-CG2 3.95Å; F351-V365 HydrophobicContact CZ-CG2 4.43Å; V365-V367 HydrophobicContact CG1-CG2 4.37Å; V365-I383 HydrophobicContact CG1-CG2 4.22Å; V365-D384 WeakPolarHBondContact CG1-O 3.37Å; V365-L385 HydrophobicContact CB-CD2 4.49Å; V365-L385 HydrophobicContact CG1-CD2 4.3Å |
| 366 | V | 95.5 | Very high | 89.5 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.2 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | R346 I347 P364 F437 | R346-V366 HydrophobicContact CG-CG1 4.08Å; I347-V366 WeakPolarHBondContact O-CA 3.39Å; P364-V366 HydrophobicContact CB-CG2 4.2Å; P364-V366 HydrophobicContact CG-CG2 4.4Å; P364-V366 PolarHBondContact O-N 3.18Å; V366-F437 HydrophobicContact CG1-CD2 4.1Å; V366-F437 HydrophobicContact CG2-CB 4.01Å; V366-F437 HydrophobicContact CG2-CD1 3.98Å; V366-F437 HydrophobicContact CG2-CD2 3.75Å; V366-F437 HydrophobicContact CG2-CE1 4.38Å; V366-F437 HydrophobicContact CG2-CE2 4.18Å; V366-F437 HydrophobicContact CG2-CG 3.64Å; V366-F437 HydrophobicContact CG2-CZ 4.47Å |
| 367 | V | 95.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 33% | 0.333 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.5 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | R346 I347 V365 I369 I383 | R346-V367 WeakPolarHBondContact CA-O 3.39Å; I347-V367 HydrophobicContact CG2-CB 3.91Å; I347-V367 PolarHBondContact N-O 2.59Å; I347-V367 PolarHBondContact O-N 3.19Å; V365-V367 HydrophobicContact CG1-CG2 4.37Å; V367-I369 HydrophobicContact CG1-CG1 4.39Å; V367-I383 HydrophobicContact CB-CG2 4.44Å; V367-I383 HydrophobicContact CG2-CG2 3.88Å |
| 368 | D | 95.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136 | 167.2 | -80.6 | -52.6 | 0 | 0 | 0 | 110.5 | R346 | R346-D368 WeakPolarHBondContact CB-OD1 3.33Å; R346-D368 IonicContact CZ-OD1 2.69Å; R346-D368 IonicContact CZ-OD2 3.96Å; R346-D368 IonicContact NE-OD1 3.04Å; R346-D368 PolarHBondContact NE-OD1 2.89Å; R346-D368 IonicContact NE-OD2 3.32Å; R346-D368 PolarHBondContact NE-OD2 3.35Å; R346-D368 IonicContact NH2-OD1 3.18Å; R346-D368 PolarHBondContact NH2-OD1 3.43Å; R346-D368 IonicContact NH2-OD2 2.78Å; R346-D368 PolarHBondContact NH2-OD2 2.93Å |
| 369 | I | 93.3 | Very high | 89.6 | Confident | 30 Ų | 30 | 67 Ų | 67 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | trans | -115.4 | 121.7 | 179.1 | -60.9 | -169.5 | 0 | 0 | 0 | 108.4 | L343 F344 R345 V367 V381 | L343-I369 HydrophobicContact CD1-CG2 4.42Å; F344-I369 HydrophobicContact CD2-CD1 3.95Å; F344-I369 HydrophobicContact CE2-CD1 3.35Å; F344-I369 HydrophobicContact CE2-CG1 4.38Å; F344-I369 HydrophobicContact CZ-CD1 3.98Å; R345-I369 PolarHBondContact O-N 3.4Å; V367-I369 HydrophobicContact CG1-CG1 4.39Å; I369-V381 HydrophobicContact CD1-CG1 3.35Å | ||
| 370 | H | 89.4 | Confident | 89.8 | Confident | 166 Ų | 166 | 70.4 Ų | 70.4 | 77% | 0.769 | 33% | 0.334 | S | S | * | . | trans | -70.2 | 133.2 | 176 | -66.3 | 83.6 | 0 | 0 | 0 | 110 | D372 | H370-D372 PolarHBondContact O-N 2.82Å; H370-D372 VanDerWaalsContact O-N 3.17Å | ||
| 371 | R | 84.9 | Confident | 90.2 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | trans | -58.6 | 118.9 | 177.3 | -176.9 | -169.3 | 179.8 | 138.9 | -5 | 110 | I373 D400 | R371-I373 HydrophobicContact CG-CG1 3.96Å; R371-I373 PolarHBondContact O-N 2.83Å; R371-D400 VanDerWaalsContact CD-OD2 3.23Å; R371-D400 WeakPolarHBondContact CD-OD2 3.15Å; R371-D400 WeakPolarHBondContact CG-OD2 3.31Å; R371-D400 IonicContact CZ-OD2 3.55Å; R371-D400 IonicContact NE-OD2 2.65Å; R371-D400 IonicContact NH1-OD2 3.43Å; R371-D400 PolarHBondContact NH1-OD2 2.97Å | ||
| 372 | D | 83.4 | Confident | 90.7 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | trans | -85.4 | 111.4 | 171.9 | -164.3 | -28.1 | 0 | 0 | 0 | 109.6 | N336 L343 H370 Y374 N375 R379 | N336-D372 PolarHBondContact ND2-O 3.08Å; L343-D372 HydrophobicContact CD1-CB 4.45Å; H370-D372 PolarHBondContact O-N 2.82Å; H370-D372 VanDerWaalsContact O-N 3.17Å; D372-Y374 PolarHBondContact OD1-N 3.18Å; D372-N375 PolarHBondContact OD1-N 2.7Å; D372-R379 IonicContact OD2-CZ 3.69Å; D372-R379 IonicContact OD2-NH1 3.12Å; D372-R379 PolarHBondContact OD2-NH1 2.85Å; D372-R379 IonicContact OD2-NH2 2.87Å; D372-R379 PolarHBondContact OD2-NH2 2.85Å | ||
| 373 | I | 84.1 | Confident | 91.1 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 52% | 0.518 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -97.1 | -13.7 | 178.5 | -53.9 | 176.8 | 0 | 0 | 0 | 110.6 | L338 R371 | L338-I373 WeakPolarHBondContact CD1-O 3.36Å; R371-I373 HydrophobicContact CG-CG1 3.96Å; R371-I373 PolarHBondContact O-N 2.83Å |
| 374 | Y | 83.9 | Confident | 91.3 | Very high | 226 Ų | 226 | 69.5 Ų | 69.5 | 89% | 0.886 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -94.3 | -35.2 | -172.7 | -57.8 | -74.4 | 0 | 0 | 0 | 112.3 | D372 | D372-Y374 PolarHBondContact OD1-N 3.18Š|
| 375 | N | 85.5 | Confident | 91.5 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | trans | -108.8 | 98.6 | -179.6 | -174 | 6 | 0 | 0 | 0 | 111.6 | N336 D372 K377 | N336-N375 PolarHBondContact ND2-O 3.27Å; D372-N375 PolarHBondContact OD1-N 2.7Å; N375-K377 VanDerWaalsContact C-N 3.26Å; N375-K377 PolarHBondContact O-N 2.91Å; N375-K377 VanDerWaalsContact OD1-CB 3.31Å; N375-K377 WeakPolarHBondContact OD1-CB 3.34Å; N375-K377 WeakPolarHBondContact OD1-CG 3.16Å; N375-K377 PolarHBondContact OD1-N 3.38Å; N375-K377 VanDerWaalsContact OD1-N 3.16Å | ||
| 376 | S | 85.1 | Confident | 91.4 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | trans | -79.2 | 0.2 | 178.3 | 57 | 0 | 0 | 0 | 0 | 114.9 | N336 | N336-S376 CarbonylContact C-O 3.54Å; N336-S376 CarbonylContact O-C 3.57Å; N336-S376 VanDerWaalsContact O-CA 3.28Å; N336-S376 WeakPolarHBondContact O-CA 3.27Å | ||
| 377 | K | 88.3 | Confident | 91.3 | Very high | 143 Ų | 143 | 75.9 Ų | 75.9 | 62% | 0.622 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -76 | 149.3 | -178.2 | -61.7 | -178.9 | 179.8 | 179 | 0 | 111.5 | N375 | N375-K377 VanDerWaalsContact C-N 3.26Å; N375-K377 PolarHBondContact O-N 2.91Å; N375-K377 VanDerWaalsContact OD1-CB 3.31Å; N375-K377 WeakPolarHBondContact OD1-CB 3.34Å; N375-K377 WeakPolarHBondContact OD1-CG 3.16Å; N375-K377 PolarHBondContact OD1-N 3.38Å; N375-K377 VanDerWaalsContact OD1-N 3.16Å |
| 378 | P | 90.7 | Very high | 91.3 | Very high | 20 Ų | 20 | 75.5 Ų | 75.5 | 13% | 0.13 | 37% | 0.37 | C | S | . | . | trans | -58.3 | 144.5 | 164.7 | -20.5 | 34.1 | 0 | 0 | 0 | 110.9 | T334 L335 | T334-P378 CarbonylContact O-C 3.46Å; T334-P378 WeakPolarHBondContact O-CA 3.34Å; L335-P378 HydrophobicContact CD1-CB 4.42Å; L335-P378 HydrophobicContact CG-CB 4.23Å; L335-P378 HydrophobicContact CG-CG 4.06Å | ||
| 379 | R | 92.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158.4 | 179.8 | 72.1 | 178.2 | -178.5 | -161.2 | -0.1 | 114.3 | T334 D372 V381 | T334-R379 PolarHBondContact N-O 3.29Å; T334-R379 PolarHBondContact O-N 3.28Å; T334-R379 PolarHBondContact OG1-O 3.4Å; D372-R379 IonicContact OD2-CZ 3.69Å; D372-R379 IonicContact OD2-NH1 3.12Å; D372-R379 PolarHBondContact OD2-NH1 2.85Å; D372-R379 IonicContact OD2-NH2 2.87Å; D372-R379 PolarHBondContact OD2-NH2 2.85Å; R379-V381 HydrophobicContact CG-CG2 4.43Å |
| 380 | W | 94.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 72 Ų | 72 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.7 | 162.7 | -67.8 | 99.5 | 0 | 0 | 0 | 110.9 | V49 Y281 R331 H333 E408 T410 | V49-W380 HydrophobicContact CG2-CH2 4.1Å; V49-W380 HydrophobicContact CG2-CZ2 3.97Å; Y281-W380 AromaticContact CD1-CZ2 3.87Å; Y281-W380 HydrophobicContact CD1-CZ2 3.87Å; Y281-W380 HydrophobicContact CD2-CZ2 4.36Å; Y281-W380 HydrophobicContact CE1-CZ2 4.42Å; Y281-W380 AromaticContact CG-CZ2 3.83Å; Y281-W380 HydrophobicContact CG-CZ2 3.83Å; R331-W380 HydrophobicContact CB-CE3 3.68Å; R331-W380 HydrophobicContact CB-CZ3 4.16Å; H333-W380 HydrophobicContact CB-CD2 3.99Å; H333-W380 HydrophobicContact CB-CE3 3.79Å; H333-W380 HydrophobicContact CB-CH2 3.85Å; H333-W380 HydrophobicContact CB-CZ2 4Å; H333-W380 HydrophobicContact CB-CZ3 3.73Å; H333-W380 AromaticContact CD2-CD1 3.79Å; H333-W380 AromaticContact CD2-CD2 3.82Å; H333-W380 AromaticContact CD2-CE2 3.65Å; H333-W380 AromaticContact CD2-CG 3.92Å; H333-W380 AromaticContact CD2-NE1 3.6Å; W380-E408 HydrophobicContact CH2-CB 4.04Å; W380-E408 HydrophobicContact CH2-CG 3.63Å; W380-E408 HydrophobicContact CZ3-CG 4.36Å; W380-T410 HydrophobicContact CH2-CG2 3.75Å; W380-T410 HydrophobicContact CZ3-CG2 3.87Å |
| 381 | V | 95.7 | Very high | 91.5 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 106.4 | 171.1 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | R331 I332 T334 L343 F344 I369 R379 I383 | R331-V381 WeakPolarHBondContact CA-O 3.21Å; I332-V381 PolarHBondContact N-O 3.19Å; I332-V381 PolarHBondContact O-N 3.44Å; T334-V381 HydrophobicContact CG2-CG2 4.47Å; T334-V381 WeakPolarHBondContact OG1-CG2 3.49Å; L343-V381 HydrophobicContact CD2-CG2 4.39Å; F344-V381 HydrophobicContact CE2-CG1 4.37Å; F344-V381 HydrophobicContact CZ-CB 4.31Å; F344-V381 HydrophobicContact CZ-CG1 3.83Å; I369-V381 HydrophobicContact CD1-CG1 3.35Å; R379-V381 HydrophobicContact CG-CG2 4.43Å; V381-I383 HydrophobicContact CG1-CD1 4.05Å; V381-I383 HydrophobicContact CG1-CG1 4.46Å; V381-I383 WeakPolarHBondContact O-CD1 3.27Å |
| 382 | P | 96.8 | Very high | 92.1 | Very high | 75 Ų | 75 | 65.1 Ų | 65.1 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 143.7 | 173.1 | 32.7 | -32.9 | 0 | 0 | 0 | 111.2 | Q329 I330 R331 | Q329-P382 HydrophobicContact CG-CB 4.31Å; I330-P382 CarbonylContact O-C 3.52Å; I330-P382 WeakPolarHBondContact O-CA 3.46Å; R331-P382 HydrophobicContact CG-CB 4.2Å |
| 383 | I | 97.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 118 | 173.9 | -51.5 | 94.6 | 0 | 0 | 0 | 108.3 | Q329 I330 I332 F344 I347 V365 V367 V381 L385 | Q329-I383 WeakPolarHBondContact CA-O 3.37Å; Q329-I383 WeakPolarHBondContact CG-O 3.41Å; I330-I383 HydrophobicContact CG2-CB 3.78Å; I330-I383 HydrophobicContact CG2-CD1 3.96Å; I330-I383 HydrophobicContact CG2-CG1 4.44Å; I330-I383 PolarHBondContact N-O 3.08Å; I330-I383 PolarHBondContact O-N 3.46Å; I332-I383 HydrophobicContact CD1-CD1 4.42Å; I332-I383 HydrophobicContact CG1-CD1 4.38Å; F344-I383 HydrophobicContact CZ-CD1 4.4Å; I347-I383 HydrophobicContact CD1-CD1 3.88Å; I347-I383 HydrophobicContact CD1-CG1 4.14Å; I347-I383 HydrophobicContact CG2-CG1 4.1Å; I347-I383 HydrophobicContact CG2-CG2 4.47Å; V365-I383 HydrophobicContact CG1-CG2 4.22Å; V367-I383 HydrophobicContact CB-CG2 4.44Å; V367-I383 HydrophobicContact CG2-CG2 3.88Å; V381-I383 HydrophobicContact CG1-CD1 4.05Å; V381-I383 HydrophobicContact CG1-CG1 4.46Å; V381-I383 WeakPolarHBondContact O-CD1 3.27Å; I383-L385 PolarHBondContact O-N 2.85Å |
| 384 | D | 97.3 | Very high | 93.2 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.6 | 179.1 | -62.5 | -49.3 | 0 | 0 | 0 | 110.9 | Q329 V365 | Q329-D384 PolarHBondContact NE2-OD1 3.23Å; V365-D384 WeakPolarHBondContact CG1-O 3.37Å |
| 385 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -6.5 | -175.9 | -63.2 | -174 | 0 | 0 | 0 | 112.9 | F327 S328 I330 V349 F351 V365 I383 R388 L393 | F327-L385 HydrophobicContact CB-CB 4.02Å; F327-L385 HydrophobicContact CB-CD1 3.8Å; F327-L385 HydrophobicContact CD1-CD1 4.48Å; F327-L385 HydrophobicContact CG-CD1 4.39Å; F327-L385 WeakPolarHBondContact O-CB 3.29Å; S328-L385 PolarHBondContact O-N 2.88Å; I330-L385 HydrophobicContact CB-CD1 3.98Å; I330-L385 HydrophobicContact CB-CG 4.45Å; I330-L385 HydrophobicContact CG2-CD1 4.01Å; I330-L385 HydrophobicContact CG2-CD2 3.88Å; I330-L385 HydrophobicContact CG2-CG 4.04Å; V349-L385 HydrophobicContact CB-CD2 3.97Å; V349-L385 HydrophobicContact CG1-CD2 3.91Å; V349-L385 HydrophobicContact CG2-CD2 3.99Å; F351-L385 HydrophobicContact CZ-CB 4.14Å; F351-L385 HydrophobicContact CZ-CD1 4.39Å; F351-L385 HydrophobicContact CZ-CD2 4.19Å; F351-L385 HydrophobicContact CZ-CG 4.46Å; V365-L385 HydrophobicContact CB-CD2 4.49Å; V365-L385 HydrophobicContact CG1-CD2 4.3Å; I383-L385 PolarHBondContact O-N 2.85Å; L385-R388 WeakPolarHBondContact O-CD 3.27Å; L385-R388 VanDerWaalsContact O-CG 3.23Å; L385-R388 WeakPolarHBondContact O-CG 3.41Å; L385-R388 PolarHBondContact O-NE 2.85Å; L385-L393 HydrophobicContact CD1-CD2 3.96Å |
| 386 | G | 93.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 54% | 0.536 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.7 | 30.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R388 | G386-R388 PolarHBondContact O-N 3.42Å |
| 387 | F | 94.1 | Very high | 94.8 | Very high | 138 Ų | 138 | 42.4 Ų | 42.4 | 61% | 0.605 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 58.6 | 30.6 | 178.5 | -57.9 | -79.3 | 0 | 0 | 0 | 114.3 | N326 F327 | N326-F387 PolarHBondContact ND2-O 2.86Å; N326-F387 VanDerWaalsContact ND2-O 3.16Å; N326-F387 VanDerWaalsContact OD1-C 3.27Å; N326-F387 WeakPolarHBondContact OD1-CA 3.4Å; N326-F387 VanDerWaalsContact OD1-CB 3.31Å; N326-F387 WeakPolarHBondContact OD1-CB 3.49Å; N326-F387 WeakPolarHBondContact OD1-CD1 3.32Å; N326-F387 PolarHBondContact OD1-O 2.78Å; F327-F387 WeakPolarHBondContact O-CA 3.23Å; F327-F387 PolarHBondContact O-N 3.26Å |
| 388 | R | 94.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 18% | 0.181 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 148 | 178.6 | -66.6 | 168.4 | -165 | -106.5 | 20 | 110.8 | F327 F351 Y362 P363 L385 G386 | F327-R388 PolarHBondContact N-O 3.24Å; F351-R388 HydrophobicContact CD1-CB 4.03Å; F351-R388 HydrophobicContact CE1-CB 3.79Å; F351-R388 HydrophobicContact CE2-CB 4.32Å; F351-R388 VanDerWaalsContact CE2-CD 3.49Å; F351-R388 HydrophobicContact CG-CB 4.39Å; F351-R388 HydrophobicContact CZ-CB 3.95Å; Y362-R388 HydrophobicContact CD1-CG 4.07Å; Y362-R388 HydrophobicContact CD2-CB 4.15Å; Y362-R388 HydrophobicContact CD2-CG 4.5Å; Y362-R388 HydrophobicContact CE1-CG 4.47Å; Y362-R388 HydrophobicContact CE2-CB 4.38Å; Y362-R388 HydrophobicContact CG-CB 4.24Å; Y362-R388 HydrophobicContact CG-CG 4.08Å; P363-R388 VanDerWaalsContact O-CZ 3.23Å; P363-R388 PolarHBondContact O-NH1 3.5Å; P363-R388 PolarHBondContact O-NH2 3Å; L385-R388 WeakPolarHBondContact O-CD 3.27Å; L385-R388 VanDerWaalsContact O-CG 3.23Å; L385-R388 WeakPolarHBondContact O-CG 3.41Å; L385-R388 PolarHBondContact O-NE 2.85Å; G386-R388 PolarHBondContact O-N 3.42Å |
| 389 | I | 93.8 | Very high | 95.2 | Very high | 31 Ų | 31 | 38 Ų | 38 | 16% | 0.159 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.7 | -179.8 | -63.8 | 174.5 | 0 | 0 | 0 | 110.4 | R325 N326 Y362 L416 L422 | R325-I389 WeakPolarHBondContact O-CA 3.46Å; N326-I389 HydrophobicContact CB-CG1 4.26Å; Y362-I389 HydrophobicContact CE2-CB 3.95Å; Y362-I389 VanDerWaalsContact CE2-N 3.26Å; Y362-I389 WeakPolarHBondContact CE2-O 3.35Å; I389-L416 HydrophobicContact CD1-CD2 3.78Å; I389-L416 HydrophobicContact CG1-CD2 4.07Å; I389-L416 HydrophobicContact CG2-CD1 3.75Å; I389-L422 HydrophobicContact CG2-CD2 3.82Å |
| 390 | G | 93.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A324 R325 F327 N353 | A324-G390 CarbonylContact C-O 3.47Å; A324-G390 VanDerWaalsContact CA-O 3.26Å; A324-G390 WeakPolarHBondContact CA-O 3.46Å; R325-G390 PolarHBondContact N-O 2.83Å; R325-G390 PolarHBondContact O-N 3.32Å; R325-G390 VanDerWaalsContact O-N 3.11Å; F327-G390 WeakPolarHBondContact CE2-O 3.28Å; N353-G390 WeakPolarHBondContact OD1-CA 3.27Å |
| 391 | R | 95.1 | Very high | 95 | Very high | 66 Ų | 66 | 36.2 Ų | 36.2 | 25% | 0.249 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -15.1 | 165.5 | -173.2 | 172.2 | -178.1 | -147.3 | -4.3 | 112.9 | E145 F321 D322 A324 S352 | E145-R391 IonicContact OE1-NH2 2.78Å; E145-R391 PolarHBondContact OE1-NH2 2.83Å; F321-R391 WeakPolarHBondContact CD2-O 2.89Å; F321-R391 PolarHBondContact N-O 2.81Å; F321-R391 WeakPolarHBondContact O-CG 3.31Å; F321-R391 PolarHBondContact O-NE 3.36Å; F321-R391 PolarHBondContact O-NH2 2.67Å; D322-R391 PolarHBondContact O-NE 2.82Å; D322-R391 PolarHBondContact O-NH2 2.87Å; A324-R391 HydrophobicContact CB-CB 4.18Å; S352-R391 PolarHBondContact O-N 3.45Å |
| 392 | Y | 96.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 36.6 Ų | 36.6 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.6 | 178.5 | -63.4 | -98.6 | 0 | 0 | 0 | 109.2 | F319 K320 S352 N353 G355 | F319-Y392 CarbonylContact O-C 3.53Å; F319-Y392 VanDerWaalsContact O-CA 3.29Å; F319-Y392 WeakPolarHBondContact O-CA 3.32Å; K320-Y392 HydrophobicContact CB-CD1 3.79Å; K320-Y392 HydrophobicContact CB-CE1 3.7Å; K320-Y392 HydrophobicContact CD-CE1 3.78Å; K320-Y392 HydrophobicContact CG-CD1 3.96Å; K320-Y392 HydrophobicContact CG-CE1 3.45Å; K320-Y392 VanDerWaalsContact CG-CE1 3.45Å; S352-Y392 PolarHBondContact N-O 3.21Å; S352-Y392 PolarHBondContact O-N 2.88Å; N353-Y392 WeakPolarHBondContact O-CD2 3.32Å; N353-Y392 WeakPolarHBondContact O-CE2 3.43Å; G355-Y392 VanDerWaalsContact CA-CD2 3.42Å; G355-Y392 VanDerWaalsContact N-CD2 3.31Å |
| 393 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.1 | 174.6 | -88.5 | 59.6 | 0 | 0 | 0 | 108.9 | F319 F321 F327 V349 Q350 F351 L385 F411 | F319-L393 PolarHBondContact N-O 2.91Å; F319-L393 PolarHBondContact O-N 3.44Å; F321-L393 HydrophobicContact CE2-CB 4.22Å; F321-L393 HydrophobicContact CE2-CD1 4.05Å; F321-L393 HydrophobicContact CE2-CD2 4.38Å; F321-L393 HydrophobicContact CE2-CG 4.43Å; F321-L393 HydrophobicContact CZ-CD2 4.49Å; F327-L393 HydrophobicContact CD1-CD2 4.04Å; F327-L393 HydrophobicContact CD2-CD1 3.9Å; F327-L393 HydrophobicContact CD2-CD2 4.46Å; F327-L393 HydrophobicContact CE1-CD1 4.28Å; F327-L393 HydrophobicContact CE1-CD2 4.11Å; F327-L393 HydrophobicContact CE2-CD1 3.47Å; F327-L393 VanDerWaalsContact CE2-CD1 3.47Å; F327-L393 HydrophobicContact CG-CD1 4.46Å; F327-L393 HydrophobicContact CG-CD2 4.23Å; F327-L393 HydrophobicContact CZ-CD1 3.69Å; F327-L393 HydrophobicContact CZ-CD2 4.35Å; V349-L393 HydrophobicContact CG1-CB 4.42Å; V349-L393 HydrophobicContact CG1-CD2 4.03Å; V349-L393 HydrophobicContact CG1-CG 4.07Å; Q350-L393 WeakPolarHBondContact O-CA 3.4Å; F351-L393 HydrophobicContact CD1-CD1 3.76Å; F351-L393 HydrophobicContact CD1-CG 4.07Å; F351-L393 HydrophobicContact CE1-CD1 3.95Å; F351-L393 HydrophobicContact CE1-CD2 4.13Å; F351-L393 HydrophobicContact CE1-CG 3.96Å; L385-L393 HydrophobicContact CD1-CD2 3.96Å; L393-F411 HydrophobicContact CD2-CD1 4.09Å; L393-F411 HydrophobicContact CD2-CE1 3.66Å |
| 394 | R | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.3 | 170.4 | -176.9 | 176.6 | 67.5 | -158.4 | -2.9 | 108.3 | T316 M317 L318 Q350 F358 D443 | T316-R394 HydrophobicContact CG2-CG 4Å; M317-R394 CarbonylContact O-C 3.47Å; M317-R394 WeakPolarHBondContact O-CA 3.33Å; L318-R394 HydrophobicContact CD1-CB 4.24Å; Q350-R394 HydrophobicContact CB-CB 4.24Å; Q350-R394 PolarHBondContact N-O 3Å; Q350-R394 PolarHBondContact O-N 3.5Å; Q350-R394 VanDerWaalsContact OE1-CZ 3.32Å; F358-R394 HydrophobicContact CD1-CB 3.95Å; F358-R394 HydrophobicContact CE1-CB 3.6Å; F358-R394 HydrophobicContact CZ-CB 3.98Å; R394-D443 IonicContact CZ-OD1 3.45Å; R394-D443 IonicContact NH1-OD1 2.68Å; R394-D443 PolarHBondContact NH1-OD1 2.97Å; R394-D443 IonicContact NH2-OD1 3.46Å; R394-D443 PolarHBondContact NH2-OD1 2.88Å; R394-D443 IonicContact NH2-OD2 3.27Å |
| 395 | I | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121 | -174 | -56.5 | -178.5 | 0 | 0 | 0 | 108.3 | M317 F319 I330 I347 S348 V349 L397 F411 | M317-I395 HydrophobicContact CB-CB 4.49Å; M317-I395 HydrophobicContact CE-CB 4.31Å; M317-I395 HydrophobicContact CE-CG2 3.99Å; M317-I395 PolarHBondContact N-O 3.36Å; M317-I395 PolarHBondContact O-N 2.8Å; F319-I395 HydrophobicContact CD2-CD1 3.74Å; F319-I395 HydrophobicContact CD2-CG1 4.23Å; F319-I395 HydrophobicContact CE2-CD1 3.76Å; F319-I395 HydrophobicContact CE2-CG1 4.41Å; I330-I395 HydrophobicContact CD1-CD1 3.3Å; I347-I395 HydrophobicContact CD1-CG2 3.88Å; I347-I395 HydrophobicContact CG1-CG2 4.06Å; S348-I395 WeakPolarHBondContact O-CA 3.46Å; V349-I395 HydrophobicContact CG1-CG1 4.28Å; V349-I395 HydrophobicContact CG2-CG1 4.3Å; V349-I395 HydrophobicContact CG2-CG2 4.47Å; I395-L397 HydrophobicContact CG2-CD2 3.98Å; I395-L397 HydrophobicContact CG2-CG 4.44Å; I395-F411 HydrophobicContact CD1-CE1 4.18Å; I395-F411 HydrophobicContact CD1-CZ 3.98Å |
| 396 | T | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.8 | 176.5 | -49.9 | 0 | 0 | 0 | 0 | 109.5 | R314 I315 I347 S348 W398 I442 | R314-T396 HydrophobicContact CB-CG2 4.05Å; R314-T396 HydrophobicContact CG-CG2 3.97Å; I315-T396 CarbonylContact O-C 3.58Å; I315-T396 WeakPolarHBondContact O-CA 3.22Å; I347-T396 VanDerWaalsContact CA-O 3.32Å; I347-T396 WeakPolarHBondContact CA-O 3.48Å; S348-T396 PolarHBondContact N-O 3.3Å; S348-T396 PolarHBondContact O-N 2.7Å; T396-W398 HydrophobicContact CG2-CD2 4.44Å; T396-W398 HydrophobicContact CG2-CE3 4.11Å; T396-W398 HydrophobicContact CG2-CH2 3.41Å; T396-W398 VanDerWaalsContact CG2-CH2 3.41Å; T396-W398 HydrophobicContact CG2-CZ2 3.8Å; T396-W398 HydrophobicContact CG2-CZ3 3.59Å; T396-W398 VanDerWaalsContact O-CZ3 3.25Å; T396-W398 WeakPolarHBondContact O-CZ3 3.39Å; T396-I442 HydrophobicContact CG2-CD1 4.24Å |
| 397 | L | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.5 | 178.8 | -55.5 | -177.8 | 0 | 0 | 0 | 110.3 | R314 I315 M317 I332 F344 I347 I395 I404 | R314-L397 CarbonylContact C-O 3.56Å; R314-L397 WeakPolarHBondContact CA-O 3.49Å; R314-L397 WeakPolarHBondContact CB-O 3.35Å; I315-L397 HydrophobicContact CB-CB 4.49Å; I315-L397 PolarHBondContact N-O 2.87Å; I315-L397 PolarHBondContact O-N 2.98Å; M317-L397 HydrophobicContact CE-CD1 3.72Å; M317-L397 HydrophobicContact CE-CG 4.09Å; I332-L397 HydrophobicContact CD1-CD2 4.19Å; F344-L397 HydrophobicContact CB-CB 4.05Å; F344-L397 HydrophobicContact CB-CD2 4.48Å; F344-L397 HydrophobicContact CD1-CD1 4Å; F344-L397 HydrophobicContact CD1-CD2 3.94Å; F344-L397 HydrophobicContact CD1-CG 4.43Å; F344-L397 HydrophobicContact CD2-CD2 3.95Å; F344-L397 HydrophobicContact CE1-CD1 4.43Å; F344-L397 HydrophobicContact CE1-CD2 4.09Å; F344-L397 HydrophobicContact CE2-CD2 4.09Å; F344-L397 HydrophobicContact CG-CB 4.35Å; F344-L397 HydrophobicContact CG-CD1 4.46Å; F344-L397 HydrophobicContact CG-CD2 3.87Å; F344-L397 HydrophobicContact CG-CG 4.45Å; F344-L397 HydrophobicContact CZ-CD2 4.16Å; I347-L397 HydrophobicContact CB-CD2 3.96Å; I347-L397 HydrophobicContact CD1-CD2 3.75Å; I347-L397 HydrophobicContact CG1-CD2 3.72Å; I395-L397 HydrophobicContact CG2-CD2 3.98Å; I395-L397 HydrophobicContact CG2-CG 4.44Å; L397-I404 HydrophobicContact CB-CD1 4.3Å |
| 398 | W | 94.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 19.5 Ų | 19.5 | 24% | 0.235 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.6 | 175.8 | -73.9 | -102 | 0 | 0 | 0 | 111.4 | R314 F344 R345 R346 T396 D400 F437 I442 | R314-W398 HydrophobicContact CB-CD2 4.49Å; R314-W398 HydrophobicContact CB-CG 4.37Å; F344-W398 CarbonylContact C-O 3.59Å; F344-W398 VanDerWaalsContact CA-O 3.28Å; F344-W398 WeakPolarHBondContact CA-O 3.31Å; F344-W398 WeakPolarHBondContact CB-O 3.41Å; R345-W398 PolarHBondContact N-O 3.2Å; R346-W398 HydrophobicContact CB-CB 4.1Å; R346-W398 HydrophobicContact CB-CD2 4.26Å; R346-W398 HydrophobicContact CB-CE3 3.96Å; R346-W398 HydrophobicContact CB-CG 4.35Å; R346-W398 HydrophobicContact CG-CD2 4.5Å; R346-W398 HydrophobicContact CG-CE3 3.98Å; R346-W398 HydrophobicContact CG-CZ3 4.37Å; R346-W398 PolarHBondContact O-N 2.96Å; T396-W398 HydrophobicContact CG2-CD2 4.44Å; T396-W398 HydrophobicContact CG2-CE3 4.11Å; T396-W398 HydrophobicContact CG2-CH2 3.41Å; T396-W398 VanDerWaalsContact CG2-CH2 3.41Å; T396-W398 HydrophobicContact CG2-CZ2 3.8Å; T396-W398 HydrophobicContact CG2-CZ3 3.59Å; T396-W398 VanDerWaalsContact O-CZ3 3.25Å; T396-W398 WeakPolarHBondContact O-CZ3 3.39Å; W398-D400 PolarHBondContact O-N 2.96Å; W398-F437 AromaticContact CH2-CE2 3.56Å; W398-F437 HydrophobicContact CH2-CE2 3.56Å; W398-F437 AromaticContact CH2-CZ 3.93Å; W398-F437 HydrophobicContact CH2-CZ 3.93Å; W398-F437 HydrophobicContact CZ2-CE2 4.04Å; W398-F437 HydrophobicContact CZ3-CE2 4.39Å; W398-I442 HydrophobicContact CH2-CD1 3.92Å; W398-I442 HydrophobicContact CZ2-CD1 4.14Å |
| 399 | F | 93.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.035 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.1 | 178.9 | -71.7 | -100.9 | 0 | 0 | 0 | 112.2 | W302 R304 N310 G313 I315 I404 | W302-F399 HydrophobicContact CB-CZ 4.09Å; W302-F399 WeakPolarHBondContact O-CE1 3.43Å; R304-F399 HydrophobicContact CB-CB 4.28Å; R304-F399 HydrophobicContact CB-CD1 3.62Å; R304-F399 HydrophobicContact CB-CD2 4.29Å; R304-F399 HydrophobicContact CB-CE1 3.89Å; R304-F399 HydrophobicContact CB-CG 3.83Å; R304-F399 HydrophobicContact CB-CZ 4.33Å; R304-F399 HydrophobicContact CG-CB 3.98Å; R304-F399 HydrophobicContact CG-CD1 4.24Å; R304-F399 HydrophobicContact CG-CD2 4.24Å; R304-F399 HydrophobicContact CG-CG 3.93Å; R304-F399 PolarHBondContact NH1-O 3.01Å; N310-F399 HydrophobicContact CB-CE2 3.91Å; N310-F399 HydrophobicContact CB-CZ 4.25Å; G313-F399 WeakPolarHBondContact O-CD2 3.45Å; I315-F399 HydrophobicContact CD1-CE1 4.44Å; I315-F399 HydrophobicContact CD1-CE2 3.86Å; I315-F399 HydrophobicContact CD1-CZ 3.72Å; I315-F399 HydrophobicContact CG1-CE2 3.73Å; I315-F399 HydrophobicContact CG1-CZ 3.9Å; F399-I404 HydrophobicContact CB-CD1 4.31Å; F399-I404 HydrophobicContact CD1-CB 4.33Å; F399-I404 HydrophobicContact CD1-CD1 3.83Å; F399-I404 HydrophobicContact CD1-CG1 3.78Å; F399-I404 HydrophobicContact CD2-CD1 4.04Å; F399-I404 HydrophobicContact CE1-CB 4.11Å; F399-I404 HydrophobicContact CE1-CD1 4.16Å; F399-I404 HydrophobicContact CE1-CG1 4.06Å; F399-I404 HydrophobicContact CE2-CD1 4.37Å; F399-I404 HydrophobicContact CG-CD1 3.77Å; F399-I404 HydrophobicContact CG-CG1 4.22Å; F399-I404 HydrophobicContact CZ-CD1 4.43Å |
| 400 | D | 91.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 16.4 Ų | 16.4 | 16% | 0.16 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -70.1 | -52.3 | 160.2 | -169.5 | 64.7 | 0 | 0 | 0 | 110 | R304 A342 L343 R345 R371 W398 | R304-D400 PolarHBondContact NH1-O 3.46Å; A342-D400 HydrophobicContact CB-CB 4.19Å; L343-D400 WeakPolarHBondContact O-CB 3.48Å; R345-D400 HydrophobicContact CB-CB 3.84Å; R371-D400 VanDerWaalsContact CD-OD2 3.23Å; R371-D400 WeakPolarHBondContact CD-OD2 3.15Å; R371-D400 WeakPolarHBondContact CG-OD2 3.31Å; R371-D400 IonicContact CZ-OD2 3.55Å; R371-D400 IonicContact NE-OD2 2.65Å; R371-D400 IonicContact NH1-OD2 3.43Å; R371-D400 PolarHBondContact NH1-OD2 2.97Å; W398-D400 PolarHBondContact O-N 2.96Å |
| 401 | Y | 90.1 | Very high | 94.7 | Very high | 78 Ų | 78 | 16.8 Ų | 16.8 | 31% | 0.306 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -121.1 | -151.4 | -171.1 | -153.2 | -143.7 | 0 | 0 | 0 | 112.5 | R304 D339 | R304-Y401 WeakPolarHBondContact CD-O 3.45Å; R304-Y401 PolarHBondContact NH1-O 2.86Å; D339-Y401 WeakPolarHBondContact O-CE1 3.19Å |
| 402 | D | 89.5 | Confident | 94.7 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 9% | 0.086 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -80.6 | -32.7 | -171.2 | -90.9 | 5.7 | 0 | 0 | 0 | 114.2 | F303 R304 R305 | F303-D402 HydrophobicContact CD2-CB 4.48Å; F303-D402 VanDerWaalsContact CD2-O 3.28Å; F303-D402 WeakPolarHBondContact CD2-O 3.49Å; F303-D402 HydrophobicContact CE2-CB 4.03Å; R304-D402 WeakPolarHBondContact CB-O 3.19Å; R304-D402 PolarHBondContact N-O 3.06Å; R305-D402 VanDerWaalsContact CZ-CG 3.47Å; R305-D402 IonicContact CZ-OD1 2.69Å; R305-D402 IonicContact CZ-OD2 2.82Å; R305-D402 IonicContact NE-OD1 2.71Å; R305-D402 IonicContact NH1-OD1 3.8Å; R305-D402 IonicContact NH1-OD2 2.79Å; R305-D402 PolarHBondContact NH1-OD2 2.85Å; R305-D402 IonicContact NH2-OD1 3.22Å; R305-D402 PolarHBondContact NH2-OD1 2.76Å; R305-D402 IonicContact NH2-OD2 3.57Å; R305-D402 PolarHBondContact NH2-OD2 2.95Å |
| 403 | W | 91.4 | Very high | 94.6 | Very high | 18 Ų | 18 | 16.3 Ų | 16.3 | 7% | 0.068 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.2 | 178.3 | -68.9 | 83.3 | 0 | 0 | 0 | 112 | D222 V223 Y224 L234 W302 F303 Y340 I341 A342 V405 | D222-W403 HydrophobicContact CB-CH2 3.8Å; D222-W403 HydrophobicContact CB-CZ3 3.64Å; V223-W403 WeakPolarHBondContact O-CH2 3.47Å; Y224-W403 VanDerWaalsContact CA-CH2 3.5Å; Y224-W403 AromaticContact CD2-CD2 3.69Å; Y224-W403 HydrophobicContact CD2-CD2 3.69Å; Y224-W403 AromaticContact CD2-CE2 3.47Å; Y224-W403 VanDerWaalsContact CD2-CE2 3.47Å; Y224-W403 HydrophobicContact CD2-CE3 4.05Å; Y224-W403 HydrophobicContact CD2-CG 4.21Å; Y224-W403 HydrophobicContact CD2-CH2 4.07Å; Y224-W403 AromaticContact CD2-CZ2 3.7Å; Y224-W403 HydrophobicContact CD2-CZ2 3.7Å; Y224-W403 HydrophobicContact CD2-CZ3 4.22Å; Y224-W403 AromaticContact CD2-NE1 3.81Å; Y224-W403 AromaticContact CE2-CD1 3.94Å; Y224-W403 HydrophobicContact CE2-CD2 4.12Å; Y224-W403 AromaticContact CE2-CE2 3.94Å; Y224-W403 HydrophobicContact CE2-CG 4.16Å; Y224-W403 AromaticContact CE2-NE1 3.79Å; Y224-W403 HydrophobicContact CG-CZ2 4.42Å; L234-W403 HydrophobicContact CD1-CE3 4.25Å; L234-W403 HydrophobicContact CD1-CZ3 4.11Å; W302-W403 VanDerWaalsContact C-CE3 3.5Å; W302-W403 WeakPolarHBondContact O-CA 3.28Å; W302-W403 VanDerWaalsContact O-CE3 3.24Å; F303-W403 HydrophobicContact CB-CD2 4.18Å; F303-W403 HydrophobicContact CB-CE3 4.19Å; F303-W403 HydrophobicContact CB-CH2 3.72Å; F303-W403 HydrophobicContact CB-CZ2 3.7Å; F303-W403 HydrophobicContact CB-CZ3 3.99Å; F303-W403 AromaticContact CD2-CD1 3.89Å; F303-W403 HydrophobicContact CD2-CD2 4.05Å; F303-W403 AromaticContact CD2-CE2 3.45Å; F303-W403 VanDerWaalsContact CD2-CE2 3.45Å; F303-W403 HydrophobicContact CD2-CG 4.28Å; F303-W403 AromaticContact CD2-CZ2 3.79Å; F303-W403 HydrophobicContact CD2-CZ2 3.79Å; F303-W403 AromaticContact CD2-NE1 3.37Å; F303-W403 AromaticContact CE2-NE1 3.77Å; F303-W403 AromaticContact CG-CE2 3.96Å; F303-W403 HydrophobicContact CG-CH2 4.37Å; F303-W403 AromaticContact CG-CZ2 3.86Å; F303-W403 HydrophobicContact CG-CZ2 3.86Å; Y340-W403 PolarHBondContact O-N 2.97Å; I341-W403 HydrophobicContact CB-CB 4.34Å; I341-W403 HydrophobicContact CG1-CB 3.73Å; I341-W403 HydrophobicContact CG1-CG 4.31Å; A342-W403 PolarHBondContact N-O 2.87Å; A342-W403 VanDerWaalsContact N-O 3.08Å; W403-V405 HydrophobicContact CB-CG2 4.3Å |
| 404 | I | 94 | Very high | 94.5 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130 | 157.1 | -73.3 | 165.2 | 0 | 0 | 0 | 106.1 | G301 W302 I315 F344 L397 F399 I406 | G301-I404 VanDerWaalsContact CA-O 3.28Å; G301-I404 WeakPolarHBondContact CA-O 3.42Å; W302-I404 HydrophobicContact CE3-CG2 4.39Å; W302-I404 PolarHBondContact N-O 3.08Å; W302-I404 PolarHBondContact O-N 2.81Å; I315-I404 HydrophobicContact CD1-CB 3.83Å; I315-I404 HydrophobicContact CD1-CD1 3.71Å; I315-I404 HydrophobicContact CD1-CG1 4.36Å; I315-I404 HydrophobicContact CD1-CG2 3.93Å; F344-I404 HydrophobicContact CB-CD1 3.78Å; F344-I404 HydrophobicContact CB-CG1 4.34Å; L397-I404 HydrophobicContact CB-CD1 4.3Å; F399-I404 HydrophobicContact CB-CD1 4.31Å; F399-I404 HydrophobicContact CD1-CB 4.33Å; F399-I404 HydrophobicContact CD1-CD1 3.83Å; F399-I404 HydrophobicContact CD1-CG1 3.78Å; F399-I404 HydrophobicContact CD2-CD1 4.04Å; F399-I404 HydrophobicContact CE1-CB 4.11Å; F399-I404 HydrophobicContact CE1-CD1 4.16Å; F399-I404 HydrophobicContact CE1-CG1 4.06Å; F399-I404 HydrophobicContact CE2-CD1 4.37Å; F399-I404 HydrophobicContact CG-CD1 3.77Å; F399-I404 HydrophobicContact CG-CG1 4.22Å; F399-I404 HydrophobicContact CZ-CD1 4.43Å; I404-I406 HydrophobicContact CG2-CG2 3.92Å |
| 405 | V | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.2 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | L234 V299 L335 I341 W403 | L234-V405 HydrophobicContact CD1-CG1 4.3Å; L234-V405 HydrophobicContact CD1-CG2 3.89Å; V299-V405 HydrophobicContact CB-CG1 3.72Å; V299-V405 HydrophobicContact CG1-CG1 4.14Å; V299-V405 HydrophobicContact CG2-CG1 3.89Å; L335-V405 HydrophobicContact CB-CB 4.33Å; L335-V405 HydrophobicContact CD1-CG1 4.3Å; L335-V405 HydrophobicContact CD2-CB 4.41Å; L335-V405 HydrophobicContact CD2-CG1 3.99Å; L335-V405 PolarHBondContact N-O 3.3Å; I341-V405 HydrophobicContact CD1-CG2 4.17Å; I341-V405 HydrophobicContact CG1-CG2 4.09Å; I341-V405 HydrophobicContact CG2-CB 3.97Å; I341-V405 HydrophobicContact CG2-CG2 3.8Å; W403-V405 HydrophobicContact CB-CG2 4.3Å |
| 406 | I | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.3 | -175.5 | 72.6 | 174 | 0 | 0 | 0 | 110.5 | L276 V299 V300 W302 M317 I332 H333 T334 I404 V409 | L276-I406 HydrophobicContact CD1-CD1 3.97Å; L276-I406 HydrophobicContact CD2-CD1 3.67Å; L276-I406 HydrophobicContact CD2-CG1 3.61Å; L276-I406 HydrophobicContact CG-CD1 4.46Å; V299-I406 CarbonylContact C-O 3.47Å; V299-I406 VanDerWaalsContact CA-O 3.27Å; V299-I406 WeakPolarHBondContact CA-O 3.38Å; V299-I406 WeakPolarHBondContact CB-O 3.2Å; V300-I406 PolarHBondContact N-O 3.3Å; V300-I406 PolarHBondContact O-N 2.95Å; W302-I406 HydrophobicContact CH2-CD1 3.77Å; W302-I406 HydrophobicContact CH2-CG1 4.09Å; W302-I406 HydrophobicContact CZ3-CD1 3.81Å; W302-I406 HydrophobicContact CZ3-CG1 3.85Å; M317-I406 HydrophobicContact SD-CD1 4.36Å; I332-I406 HydrophobicContact CG2-CB 4.34Å; I332-I406 HydrophobicContact CG2-CG2 4.06Å; H333-I406 CarbonylContact O-C 3.58Å; H333-I406 WeakPolarHBondContact O-CA 3.4Å; H333-I406 WeakPolarHBondContact O-CB 3.28Å; T334-I406 HydrophobicContact CG2-CG2 3.85Å; I404-I406 HydrophobicContact CG2-CG2 3.92Å; I406-V409 HydrophobicContact CD1-CG2 4.29Å |
| 407 | S | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -51.6 | 177 | -37.7 | 0 | 0 | 0 | 0 | 112.5 | F282 H333 | F282-S407 PolarHBondContact N-OG 2.91Å; H333-S407 PolarHBondContact ND1-OG 3.4Å; H333-S407 PolarHBondContact O-N 3.35Å |
| 408 | E | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 148.8 | -164.5 | 169.3 | 72.5 | -148.9 | 0 | 0 | 108.6 | V49 D278 K279 Q280 H333 W380 T410 | V49-E408 HydrophobicContact CG2-CG 4.14Å; D278-E408 PolarHBondContact N-OE2 2.7Å; K279-E408 WeakPolarHBondContact CA-OE2 3.39Å; K279-E408 WeakPolarHBondContact CD-OE1 3.21Å; K279-E408 PolarHBondContact N-OE2 2.73Å; K279-E408 IonicContact NZ-OE1 2.69Å; K279-E408 PolarHBondContact NZ-OE1 3.14Å; Q280-E408 PolarHBondContact N-OE2 3.41Å; H333-E408 HydrophobicContact CB-CB 4.43Å; H333-E408 PolarHBondContact N-O 3.22Å; W380-E408 HydrophobicContact CH2-CB 4.04Å; W380-E408 HydrophobicContact CH2-CG 3.63Å; W380-E408 HydrophobicContact CZ3-CG 4.36Å; E408-T410 HydrophobicContact CG-CG2 3.88Å |
| 409 | V | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.1 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | L276 M277 F319 I330 I332 I406 F411 | L276-V409 PolarHBondContact O-N 3.25Å; M277-V409 HydrophobicContact CE-CB 3.89Å; M277-V409 HydrophobicContact CE-CG1 4.16Å; M277-V409 WeakPolarHBondContact CE-O 3.37Å; F319-V409 HydrophobicContact CE1-CG1 4.45Å; F319-V409 HydrophobicContact CZ-CB 4.42Å; F319-V409 HydrophobicContact CZ-CG1 4.27Å; F319-V409 HydrophobicContact CZ-CG2 4.34Å; I330-V409 HydrophobicContact CD1-CG1 3.73Å; I330-V409 HydrophobicContact CG1-CG1 3.97Å; I332-V409 HydrophobicContact CG1-CG1 4.4Å; I332-V409 HydrophobicContact CG1-CG2 4.38Å; I332-V409 HydrophobicContact CG2-CG2 4.24Å; I406-V409 HydrophobicContact CD1-CG2 4.29Å; V409-F411 HydrophobicContact CG1-CD2 4.36Å; V409-F411 HydrophobicContact CG1-CE2 3.69Å; V409-F411 HydrophobicContact CG1-CZ 3.9Å |
| 410 | T | 96.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.4 | 179.6 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | D211 I330 R331 W380 E408 | D211-T410 VanDerWaalsContact OD2-CA 3.31Å; D211-T410 WeakPolarHBondContact OD2-CA 3.41Å; I330-T410 CarbonylContact C-O 3.55Å; I330-T410 WeakPolarHBondContact CA-O 3.42Å; I330-T410 WeakPolarHBondContact CG1-O 3.31Å; R331-T410 PolarHBondContact N-O 2.88Å; R331-T410 PolarHBondContact O-N 3.21Å; W380-T410 HydrophobicContact CH2-CG2 3.75Å; W380-T410 HydrophobicContact CZ3-CG2 3.87Å; E408-T410 HydrophobicContact CG-CG2 3.88Å |
| 411 | F | 97.2 | Very high | 88.5 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.5 | -175.9 | -67.9 | -85.7 | 0 | 0 | 0 | 111.1 | D211 V213 M277 F319 F321 F327 I330 L393 I395 V409 | D211-F411 HydrophobicContact CB-CB 4.34Å; D211-F411 PolarHBondContact OD2-N 3.11Å; V213-F411 HydrophobicContact CG2-CD2 3.63Å; V213-F411 HydrophobicContact CG2-CE2 3.82Å; M277-F411 HydrophobicContact CE-CD2 3.91Å; M277-F411 HydrophobicContact CE-CE2 3.62Å; F319-F411 HydrophobicContact CB-CE2 4.42Å; F319-F411 HydrophobicContact CB-CZ 4.12Å; F319-F411 AromaticContact CD1-CE2 3.7Å; F319-F411 HydrophobicContact CD1-CE2 3.7Å; F319-F411 AromaticContact CD1-CZ 3.94Å; F319-F411 HydrophobicContact CD1-CZ 3.94Å; F319-F411 HydrophobicContact CD2-CZ 4.02Å; F319-F411 HydrophobicContact CE1-CE2 4.11Å; F319-F411 HydrophobicContact CE1-CZ 4.4Å; F319-F411 HydrophobicContact CE2-CZ 4.48Å; F319-F411 AromaticContact CG-CE2 3.98Å; F319-F411 HydrophobicContact CG-CE2 3.98Å; F319-F411 AromaticContact CG-CZ 3.74Å; F319-F411 HydrophobicContact CG-CZ 3.74Å; F321-F411 HydrophobicContact CE1-CB 4.12Å; F321-F411 HydrophobicContact CE1-CD1 4.32Å; F321-F411 AromaticContact CE1-CD2 3.98Å; F321-F411 HydrophobicContact CE1-CD2 3.98Å; F321-F411 HydrophobicContact CE1-CE2 4.46Å; F321-F411 AromaticContact CE1-CG 3.9Å; F321-F411 HydrophobicContact CE1-CG 3.9Å; F321-F411 HydrophobicContact CZ-CB 4.41Å; F321-F411 AromaticContact CZ-CD1 3.77Å; F321-F411 HydrophobicContact CZ-CD1 3.77Å; F321-F411 AromaticContact CZ-CD2 3.81Å; F321-F411 HydrophobicContact CZ-CD2 3.81Å; F321-F411 AromaticContact CZ-CE1 3.85Å; F321-F411 HydrophobicContact CZ-CE1 3.85Å; F321-F411 AromaticContact CZ-CE2 3.89Å; F321-F411 HydrophobicContact CZ-CE2 3.89Å; F321-F411 AromaticContact CZ-CG 3.74Å; F321-F411 HydrophobicContact CZ-CG 3.74Å; F321-F411 AromaticContact CZ-CZ 3.92Å; F321-F411 HydrophobicContact CZ-CZ 3.92Å; F327-F411 HydrophobicContact CD1-CD1 4.39Å; F327-F411 HydrophobicContact CE1-CD1 4.37Å; I330-F411 HydrophobicContact CB-CD1 4.07Å; I330-F411 HydrophobicContact CB-CE1 4.17Å; I330-F411 HydrophobicContact CD1-CD1 4.1Å; I330-F411 HydrophobicContact CD1-CE1 3.4Å; I330-F411 VanDerWaalsContact CD1-CE1 3.4Å; I330-F411 HydrophobicContact CD1-CZ 3.7Å; I330-F411 HydrophobicContact CG1-CD1 3.85Å; I330-F411 HydrophobicContact CG1-CE1 3.69Å; I330-F411 HydrophobicContact CG1-CG 4.49Å; I330-F411 HydrophobicContact CG1-CZ 4.2Å; L393-F411 HydrophobicContact CD2-CD1 4.09Å; L393-F411 HydrophobicContact CD2-CE1 3.66Å; I395-F411 HydrophobicContact CD1-CE1 4.18Å; I395-F411 HydrophobicContact CD1-CZ 3.98Å; V409-F411 HydrophobicContact CG1-CD2 4.36Å; V409-F411 HydrophobicContact CG1-CE2 3.69Å; V409-F411 HydrophobicContact CG1-CZ 3.9Å |
| 412 | E | 95.6 | Very high | 88 | Confident | 75 Ų | 75 | 48.6 Ų | 48.6 | 35% | 0.35 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 116.7 | 167.8 | -63.9 | -171.8 | 155.3 | 0 | 0 | 108.9 | S328 Q329 R331 | S328-E412 PolarHBondContact N-O 3.4Å; S328-E412 VanDerWaalsContact OG-CB 3.27Å; S328-E412 WeakPolarHBondContact OG-CB 3.33Å; S328-E412 PolarHBondContact OG-O 3.32Å; Q329-E412 HydrophobicContact CB-CB 4.36Å; Q329-E412 PolarHBondContact N-O 2.94Å; Q329-E412 PolarHBondContact O-N 3.4Å; R331-E412 IonicContact CZ-OE1 2.75Å; R331-E412 IonicContact CZ-OE2 2.69Å; R331-E412 IonicContact NH1-OE1 3.49Å; R331-E412 PolarHBondContact NH1-OE1 3.5Å; R331-E412 IonicContact NH2-OE1 3.46Å; R331-E412 PolarHBondContact NH2-OE1 2.91Å; R331-E412 IonicContact NH2-OE2 3.86Å; R331-E412 PolarHBondContact NH2-OE2 3.44Å |
| 413 | S | 95.4 | Very high | 87.6 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.8 | -177.6 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | R325 N326 | R325-S413 PolarHBondContact NH1-OG 3.44Å; N326-S413 CarbonylContact O-C 3.49Å; N326-S413 WeakPolarHBondContact O-CA 3.4Å; N326-S413 VanDerWaalsContact O-CB 3.25Å; N326-S413 WeakPolarHBondContact O-CB 3.02Å |
| 414 | S | 93.7 | Very high | 87.3 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 152.2 | 171.5 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | R325 N326 | R325-S414 WeakPolarHBondContact CA-O 3.39Å; N326-S414 PolarHBondContact N-O 3.05Å; N326-S414 PolarHBondContact O-N 2.93Å |
| 415 | Y | 88.9 | Confident | 87 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 40% | 0.404 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.3 | 172.6 | -60.4 | -72.4 | 0 | 0 | 0 | 110.7 | Q323 R325 | Q323-Y415 HydrophobicContact CG-CD1 4.38Å; R325-Y415 PolarHBondContact NH2-OH 3.35Å |
| 416 | L | 86.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 149.5 | 169.6 | -58.7 | 171.9 | 0 | 0 | 0 | 110 | A324 N326 I389 L422 | A324-L416 HydrophobicContact CB-CD1 3.86Å; N326-L416 HydrophobicContact CB-CD2 4.06Å; I389-L416 HydrophobicContact CD1-CD2 3.78Å; I389-L416 HydrophobicContact CG1-CD2 4.07Å; I389-L416 HydrophobicContact CG2-CD1 3.75Å; L416-L422 HydrophobicContact CD1-CD1 3.76Å; L416-L422 HydrophobicContact CD1-CD2 4.13Å; L416-L422 HydrophobicContact CD1-CG 4.39Å |
| 417 | S | 77.8 | Confident | 85.9 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -73 | 147.6 | 168.3 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | E419 V420 | S417-E419 PolarHBondContact O-N 2.85Å; S417-V420 PolarHBondContact O-N 3.36Å; S417-V420 VanDerWaalsContact O-N 3.11Å |
| 418 | N | 68.3 | Low | 85.4 | Confident | 165 Ų | 165 | 74.6 Ų | 74.6 | 88% | 0.882 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -2.4 | -178.8 | -66.2 | -8.2 | 0 | 0 | 0 | 114.5 | ||
| 419 | E | 68.4 | Low | 84.9 | Confident | 175 Ų | 175 | 77.3 Ų | 77.3 | 82% | 0.818 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -17 | 178 | -60.2 | 177.9 | 151.7 | 0 | 0 | 112.3 | S417 V421 | S417-E419 PolarHBondContact O-N 2.85Å; E419-V421 PolarHBondContact O-N 2.99Å; E419-V421 VanDerWaalsContact O-N 3.16Å |
| 420 | V | 73.1 | Confident | 84.3 | Confident | 66 Ų | 66 | 81.7 Ų | 81.7 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | trans | -78.8 | 99.9 | 178.6 | -175 | 0 | 0 | 0 | 0 | 109.9 | S417 L422 | S417-V420 PolarHBondContact O-N 3.36Å; S417-V420 VanDerWaalsContact O-N 3.11Å; V420-L422 HydrophobicContact CG1-CD2 3.83Å; V420-L422 HydrophobicContact CG1-CG 4.22Å; V420-L422 PolarHBondContact O-N 2.97Å; V420-L422 VanDerWaalsContact O-N 3.12Å | ||
| 421 | V | 75 | Confident | 83.8 | Confident | 119 Ų | 119 | 84.5 Ų | 84.5 | 72% | 0.721 | 46% | 0.458 | S | S | * | . | trans | -68.2 | 107.8 | 168.6 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | E419 | E419-V421 PolarHBondContact O-N 2.99Å; E419-V421 VanDerWaalsContact O-N 3.16Å | ||
| 422 | L | 79.2 | Confident | 83.2 | Confident | 64 Ų | 64 | 87.7 Ų | 87.7 | 34% | 0.335 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 125 | 176.7 | -66.2 | 170.1 | 0 | 0 | 0 | 110.7 | A324 I389 L416 V420 | A324-L422 HydrophobicContact CB-CD1 3.18Å; I389-L422 HydrophobicContact CG2-CD2 3.82Å; L416-L422 HydrophobicContact CD1-CD1 3.76Å; L416-L422 HydrophobicContact CD1-CD2 4.13Å; L416-L422 HydrophobicContact CD1-CG 4.39Å; V420-L422 HydrophobicContact CG1-CD2 3.83Å; V420-L422 HydrophobicContact CG1-CG 4.22Å; V420-L422 PolarHBondContact O-N 2.97Å; V420-L422 VanDerWaalsContact O-N 3.12Å |
| 423 | H | 79.8 | Confident | 82.4 | Confident | 146 Ų | 146 | 90.2 Ų | 90.2 | 68% | 0.676 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 127.6 | 168.8 | -60.5 | -73.5 | 0 | 0 | 0 | 109.4 | N353 | N353-H423 PolarHBondContact ND2-O 3.34Š|
| 424 | T | 85.7 | Confident | 81.8 | Confident | 92 Ų | 92 | 91 Ų | 91 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 134.1 | 165.5 | -56.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 425 | E | 88.5 | Confident | 80.5 | Confident | 14 Ų | 14 | 92 Ų | 92 | 7% | 0.065 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.8 | -179 | -57.5 | 81.3 | -179.3 | 0 | 0 | 112.2 | S352 N353 G354 Y357 R360 I361 D429 | S352-E425 WeakPolarHBondContact CA-OE1 3.13Å; S352-E425 PolarHBondContact OG-OE2 2.97Å; N353-E425 VanDerWaalsContact N-CD 3.27Å; N353-E425 PolarHBondContact N-OE1 3.42Å; N353-E425 PolarHBondContact N-OE2 3.22Å; G354-E425 PolarHBondContact N-OE2 3.22Å; Y357-E425 HydrophobicContact CD2-CB 4.33Å; Y357-E425 WeakPolarHBondContact CD2-O 3.32Å; R360-E425 HydrophobicContact CB-CB 4.29Å; R360-E425 HydrophobicContact CB-CG 3.84Å; R360-E425 HydrophobicContact CG-CB 4.08Å; R360-E425 HydrophobicContact CG-CG 4.02Å; I361-E425 HydrophobicContact CD1-CG 4.44Å; I361-E425 WeakPolarHBondContact CD1-OE1 3.46Å; I361-E425 HydrophobicContact CG1-CG 4.37Å; E425-D429 WeakPolarHBondContact CA-OD2 3.38Å |
| 426 | Q | 83.6 | Confident | 79.8 | Confident | 125 Ų | 125 | 94.8 Ų | 94.8 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | trans | -112.1 | 167.9 | 175.3 | -54.4 | -170.7 | 31.1 | 0 | 0 | 110.4 | D428 D429 | Q426-D428 PolarHBondContact O-N 2.86Å; Q426-D429 PolarHBondContact N-OD2 3.17Å | ||
| 427 | S | 83 | Confident | 79.4 | Confident | 66 Ų | 66 | 94 Ų | 94 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.8 | 177.3 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | R360 | R360-S427 PolarHBondContact NH1-O 3.08Š|
| 428 | D | 84.8 | Confident | 79.5 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 75% | 0.749 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.6 | -164.6 | -55.1 | 2.1 | 0 | 0 | 0 | 112.2 | Q426 | Q426-D428 PolarHBondContact O-N 2.86Š|
| 429 | D | 84.9 | Confident | 80 | Confident | 58 Ų | 58 | 87 Ų | 87 | 31% | 0.31 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -62.4 | 141.4 | 174.4 | -66.1 | -30.8 | 0 | 0 | 0 | 110.5 | R360 E425 Q426 | R360-D429 HydrophobicContact CB-CB 3.84Å; R360-D429 WeakPolarHBondContact CD-O 3.19Å; R360-D429 HydrophobicContact CG-CB 4.02Å; R360-D429 PolarHBondContact NH1-O 2.61Å; E425-D429 WeakPolarHBondContact CA-OD2 3.38Å; Q426-D429 PolarHBondContact N-OD2 3.17Å |
| 430 | P | 84.9 | Confident | 80.4 | Confident | 92 Ų | 92 | 81 Ų | 81 | 60% | 0.597 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 140.4 | -179.9 | 27.3 | -34.9 | 0 | 0 | 0 | 112.2 | R360 Q432 | R360-P430 WeakPolarHBondContact CA-O 3.39Å; P430-Q432 PolarHBondContact O-N 3.46Å |
| 431 | I | 85.3 | Confident | 80.5 | Confident | 72 Ų | 72 | 82.6 Ų | 82.6 | 37% | 0.369 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 117.9 | 172.8 | -59.5 | 171.2 | 0 | 0 | 0 | 109.2 | K433 | I431-K433 HydrophobicContact CG2-CG 4.09Å; I431-K433 PolarHBondContact O-N 2.83Å |
| 432 | Q | 84.9 | Confident | 80.6 | Confident | 75 Ų | 75 | 77 Ų | 77 | 35% | 0.35 | 42% | 0.423 | S | S | . | . | trans | -75.2 | 105.7 | 171.6 | -53.4 | -62.9 | -22 | 0 | 0 | 108.9 | D359 R360 P363 P364 P430 | D359-Q432 WeakPolarHBondContact O-CB 3.46Å; D359-Q432 PolarHBondContact O-N 3.29Å; R360-Q432 VanDerWaalsContact O-CG 3.27Å; R360-Q432 WeakPolarHBondContact O-CG 3.25Å; R360-Q432 PolarHBondContact O-NE2 3.44Å; P363-Q432 WeakPolarHBondContact CA-O 3.44Å; P363-Q432 HydrophobicContact CB-CB 3.82Å; P363-Q432 HydrophobicContact CG-CB 4.38Å; P364-Q432 VanDerWaalsContact CD-O 3.29Å; P364-Q432 WeakPolarHBondContact CD-O 3.35Å; P430-Q432 PolarHBondContact O-N 3.46Å | ||
| 433 | K | 79.8 | Confident | 80.6 | Confident | 127 Ų | 127 | 75.6 Ų | 75.6 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 143.5 | 177.7 | -61.6 | -160.3 | 179.3 | -163.1 | 0 | 111.7 | I431 D438 | I431-K433 HydrophobicContact CG2-CG 4.09Å; I431-K433 PolarHBondContact O-N 2.83Å; K433-D438 IonicContact NZ-OD1 3.78Å; K433-D438 PolarHBondContact NZ-OD1 2.88Å |
| 434 | T | 80.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 142.3 | 164 | -59.6 | 0 | 0 | 0 | 0 | 108.1 | P364 F437 | P364-T434 WeakPolarHBondContact CD-OG1 3.29Å; P364-T434 WeakPolarHBondContact CG-OG1 3.34Å; P364-T434 PolarHBondContact O-OG1 3.02Å; T434-F437 PolarHBondContact O-N 3.35Å |
| 435 | A | 66.9 | Low | 79.7 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 70% | 0.702 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 146.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F437 | A435-F437 PolarHBondContact O-N 2.88Å; A435-F437 VanDerWaalsContact O-N 3.12Å |
| 436 | D | 74 | Confident | 78.8 | Confident | 160 Ų | 160 | 68.5 Ų | 68.5 | 86% | 0.856 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 18.7 | -177 | -52.5 | -29.4 | 0 | 0 | 0 | 116 | ||
| 437 | F | 79.4 | Confident | 78.2 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 8% | 0.083 | 39% | 0.389 | C | S | . | . | trans | -138.5 | 117.4 | 175.3 | -170.8 | -97.3 | 0 | 0 | 0 | 112.7 | S348 P364 V366 W398 T434 A435 I442 | S348-F437 VanDerWaalsContact CB-CZ 3.49Å; S348-F437 WeakPolarHBondContact OG-CE1 3.39Å; S348-F437 WeakPolarHBondContact OG-CZ 3.42Å; P364-F437 HydrophobicContact CB-CD1 4.28Å; P364-F437 HydrophobicContact CB-CE1 4.16Å; P364-F437 HydrophobicContact CG-CD1 3.63Å; P364-F437 HydrophobicContact CG-CE1 3.92Å; V366-F437 HydrophobicContact CG1-CD2 4.1Å; V366-F437 HydrophobicContact CG2-CB 4.01Å; V366-F437 HydrophobicContact CG2-CD1 3.98Å; V366-F437 HydrophobicContact CG2-CD2 3.75Å; V366-F437 HydrophobicContact CG2-CE1 4.38Å; V366-F437 HydrophobicContact CG2-CE2 4.18Å; V366-F437 HydrophobicContact CG2-CG 3.64Å; V366-F437 HydrophobicContact CG2-CZ 4.47Å; W398-F437 AromaticContact CH2-CE2 3.56Å; W398-F437 HydrophobicContact CH2-CE2 3.56Å; W398-F437 AromaticContact CH2-CZ 3.93Å; W398-F437 HydrophobicContact CH2-CZ 3.93Å; W398-F437 HydrophobicContact CZ2-CE2 4.04Å; W398-F437 HydrophobicContact CZ3-CE2 4.39Å; T434-F437 PolarHBondContact O-N 3.35Å; A435-F437 PolarHBondContact O-N 2.88Å; A435-F437 VanDerWaalsContact O-N 3.12Å; F437-I442 HydrophobicContact CE1-CD1 4.37Å; F437-I442 HydrophobicContact CE2-CD1 4.39Å; F437-I442 HydrophobicContact CZ-CD1 3.59Å | ||
| 438 | D | 79.3 | Confident | 77.3 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | trans | -103.6 | 130.2 | 168.8 | -167.1 | 31.4 | 0 | 0 | 0 | 111 | K433 S440 | K433-D438 IonicContact NZ-OD1 3.78Å; K433-D438 PolarHBondContact NZ-OD1 2.88Å; D438-S440 WeakPolarHBondContact OD2-CB 3.41Å; D438-S440 PolarHBondContact OD2-OG 3.22Å | ||
| 439 | S | 79.3 | Confident | 76.3 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | trans | -87.8 | -13.1 | -178 | 75.2 | 0 | 0 | 0 | 0 | 113.6 | D441 I442 D443 | S439-D441 VanDerWaalsContact C-N 3.33Å; S439-D441 PolarHBondContact O-N 2.95Å; S439-I442 WeakPolarHBondContact O-CA 3.44Å; S439-I442 WeakPolarHBondContact O-CB 3.4Å; S439-I442 PolarHBondContact O-N 2.85Å; S439-D443 VanDerWaalsContact CB-OD2 3.23Å; S439-D443 WeakPolarHBondContact CB-OD2 3.42Å; S439-D443 PolarHBondContact O-N 2.87Å; S439-D443 PolarHBondContact OG-OD2 3.44Å | ||
| 440 | S | 76.2 | Confident | 75.3 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.2 | -44.5 | -166.8 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | D438 I442 S444 | D438-S440 WeakPolarHBondContact OD2-CB 3.41Å; D438-S440 PolarHBondContact OD2-OG 3.22Å; S440-I442 VanDerWaalsContact C-N 3.3Å; S440-I442 PolarHBondContact O-N 3.26Å; S440-S444 VanDerWaalsContact O-CB 3.3Å; S440-S444 WeakPolarHBondContact O-CB 3.48Å; S440-S444 PolarHBondContact O-N 3Å; S440-S444 PolarHBondContact O-OG 3.3Å |
| 441 | D | 75.1 | Confident | 74.1 | Confident | 98 Ų | 98 | 68 Ų | 68 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -29.5 | 176.1 | -82.7 | -23.8 | 0 | 0 | 0 | 113.4 | R314 S439 E445 | R314-D441 PolarHBondContact NH2-O 3.13Å; S439-D441 VanDerWaalsContact C-N 3.33Å; S439-D441 PolarHBondContact O-N 2.95Å; D441-E445 PolarHBondContact O-N 2.83Å |
| 442 | I | 77.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -84.9 | -40.4 | -178.3 | -54.6 | 168.4 | 0 | 0 | 0 | 109.7 | T316 T396 W398 F437 S439 S440 E445 A446 | T316-I442 HydrophobicContact CG2-CG2 4.26Å; T396-I442 HydrophobicContact CG2-CD1 4.24Å; W398-I442 HydrophobicContact CH2-CD1 3.92Å; W398-I442 HydrophobicContact CZ2-CD1 4.14Å; F437-I442 HydrophobicContact CE1-CD1 4.37Å; F437-I442 HydrophobicContact CE2-CD1 4.39Å; F437-I442 HydrophobicContact CZ-CD1 3.59Å; S439-I442 WeakPolarHBondContact O-CA 3.44Å; S439-I442 WeakPolarHBondContact O-CB 3.4Å; S439-I442 PolarHBondContact O-N 2.85Å; S440-I442 VanDerWaalsContact C-N 3.3Å; S440-I442 PolarHBondContact O-N 3.26Å; I442-E445 PolarHBondContact O-N 2.88Å; I442-A446 WeakPolarHBondContact O-CB 3.49Å; I442-A446 PolarHBondContact O-N 3.47Å |
| 443 | D | 78.5 | Confident | 70.8 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 173.3 | -73.9 | -58 | 0 | 0 | 0 | 111.6 | R394 S439 E445 A446 E447 | R394-D443 IonicContact CZ-OD1 3.45Å; R394-D443 IonicContact NH1-OD1 2.68Å; R394-D443 PolarHBondContact NH1-OD1 2.97Å; R394-D443 IonicContact NH2-OD1 3.46Å; R394-D443 PolarHBondContact NH2-OD1 2.88Å; R394-D443 IonicContact NH2-OD2 3.27Å; S439-D443 VanDerWaalsContact CB-OD2 3.23Å; S439-D443 WeakPolarHBondContact CB-OD2 3.42Å; S439-D443 PolarHBondContact O-N 2.87Å; S439-D443 PolarHBondContact OG-OD2 3.44Å; D443-E445 VanDerWaalsContact C-N 3.29Å; D443-E445 PolarHBondContact O-N 2.98Å; D443-A446 PolarHBondContact O-N 2.79Å; D443-E447 PolarHBondContact O-N 3.49Å |
| 444 | S | 74 | Confident | 68.9 | Low | 65 Ų | 65 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 176 | -58 | 0 | 0 | 0 | 0 | 113.5 | S440 R448 | S440-S444 VanDerWaalsContact O-CB 3.3Å; S440-S444 WeakPolarHBondContact O-CB 3.48Å; S440-S444 PolarHBondContact O-N 3Å; S440-S444 PolarHBondContact O-OG 3.3Å; S444-R448 WeakPolarHBondContact O-CG 3.36Å |
| 445 | E | 72.3 | Confident | 66.7 | Low | 16 Ų | 16 | 69.7 Ų | 69.7 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.2 | -48.8 | 171.8 | -172.5 | -179.3 | 175.2 | 0 | 0 | 110.3 | Y312 R314 D441 I442 D443 E447 R448 L449 | Y312-E445 HydrophobicContact CE2-CG 4.45Å; R314-E445 IonicContact CZ-OE2 3.35Å; R314-E445 IonicContact NE-OE2 2.73Å; R314-E445 PolarHBondContact NE-OE2 2.88Å; R314-E445 IonicContact NH2-OE2 3.88Å; R314-E445 PolarHBondContact NH2-OE2 2.67Å; D441-E445 PolarHBondContact O-N 2.83Å; I442-E445 PolarHBondContact O-N 2.88Å; D443-E445 VanDerWaalsContact C-N 3.29Å; D443-E445 PolarHBondContact O-N 2.98Å; E445-E447 PolarHBondContact O-N 2.94Å; E445-R448 PolarHBondContact O-N 3.41Å; E445-L449 HydrophobicContact CG-CD1 4.43Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 2.95Å |
| 446 | A | 71.1 | Confident | 64.8 | Low | 22 Ų | 22 | 71.8 Ų | 71.8 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | I442 D443 R448 L449 S450 | I442-A446 WeakPolarHBondContact O-CB 3.49Å; I442-A446 PolarHBondContact O-N 3.47Å; D443-A446 PolarHBondContact O-N 2.79Å; A446-R448 PolarHBondContact O-N 2.78Å; A446-L449 PolarHBondContact O-N 2.98Å; A446-S450 PolarHBondContact O-N 2.7Å |
| 447 | E | 70.5 | Confident | 62.7 | Low | 130 Ų | 130 | 68.5 Ų | 68.5 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 177.1 | -174.8 | 172.3 | -150.9 | 0 | 0 | 111.2 | D443 E445 L449 S450 I451 | D443-E447 PolarHBondContact O-N 3.49Å; E445-E447 PolarHBondContact O-N 2.94Å; E447-L449 VanDerWaalsContact C-N 3.3Å; E447-L449 PolarHBondContact O-N 3.12Å; E447-S450 WeakPolarHBondContact O-CB 3.35Å; E447-S450 PolarHBondContact O-N 3.44Å; E447-S450 VanDerWaalsContact O-N 3.1Å; E447-S450 PolarHBondContact O-OG 2.78Å; E447-I451 HydrophobicContact CG-CD1 4.25Å; E447-I451 WeakPolarHBondContact O-CG1 3.47Å; E447-I451 PolarHBondContact O-N 2.94Å |
| 448 | R | 64.4 | Low | 60.4 | Low | 140 Ų | 140 | 72.5 Ų | 72.5 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 175.2 | -65.8 | 174.2 | -178.9 | -167.6 | 1.2 | 111.8 | S444 E445 A446 I451 M452 | S444-R448 WeakPolarHBondContact O-CG 3.36Å; E445-R448 PolarHBondContact O-N 3.41Å; A446-R448 PolarHBondContact O-N 2.78Å; R448-I451 PolarHBondContact O-N 3.03Å; R448-M452 WeakPolarHBondContact O-CG 3.39Å; R448-M452 PolarHBondContact O-N 2.88Å |
| 449 | L | 63.9 | Low | 57.8 | Low | 33 Ų | 33 | 76.8 Ų | 76.8 | 17% | 0.173 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.7 | -61.7 | 174.1 | 0 | 0 | 0 | 112 | Y268 E445 A446 E447 I451 M452 S453 | Y268-L449 HydrophobicContact CD2-CD2 3.56Å; Y268-L449 HydrophobicContact CE1-CD1 3.89Å; Y268-L449 HydrophobicContact CE2-CD1 3.86Å; Y268-L449 HydrophobicContact CE2-CD2 3.32Å; Y268-L449 HydrophobicContact CE2-CG 4.24Å; Y268-L449 HydrophobicContact CG-CD2 4.3Å; Y268-L449 VanDerWaalsContact CZ-CD1 3.48Å; E445-L449 HydrophobicContact CG-CD1 4.43Å; E445-L449 WeakPolarHBondContact O-CG 3.48Å; E445-L449 PolarHBondContact O-N 2.95Å; A446-L449 PolarHBondContact O-N 2.98Å; E447-L449 VanDerWaalsContact C-N 3.3Å; E447-L449 PolarHBondContact O-N 3.12Å; L449-I451 VanDerWaalsContact C-N 3.27Å; L449-I451 PolarHBondContact O-N 2.83Å; L449-M452 HydrophobicContact CD2-CE 4.36Å; L449-M452 PolarHBondContact O-N 3.29Å; L449-S453 WeakPolarHBondContact O-CB 3.12Å; L449-S453 PolarHBondContact O-N 2.85Å; L449-S453 PolarHBondContact O-OG 2.7Å |
| 450 | S | 63.3 | Low | 55.5 | Low | 57 Ų | 57 | 85.2 Ų | 85.2 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -25.7 | 176.1 | 84.4 | 0 | 0 | 0 | 0 | 113.8 | A446 E447 | A446-S450 PolarHBondContact O-N 2.7Å; E447-S450 WeakPolarHBondContact O-CB 3.35Å; E447-S450 PolarHBondContact O-N 3.44Å; E447-S450 VanDerWaalsContact O-N 3.1Å; E447-S450 PolarHBondContact O-OG 2.78Å |
| 451 | I | 58.9 | Low | 53.1 | Low | 112 Ų | 112 | 87.2 Ų | 87.2 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -77.4 | -41.6 | 172.3 | -65.8 | 163.4 | 0 | 0 | 0 | 109.8 | E447 R448 L449 | E447-I451 HydrophobicContact CG-CD1 4.25Å; E447-I451 WeakPolarHBondContact O-CG1 3.47Å; E447-I451 PolarHBondContact O-N 2.94Å; R448-I451 PolarHBondContact O-N 3.03Å; L449-I451 VanDerWaalsContact C-N 3.27Å; L449-I451 PolarHBondContact O-N 2.83Å |
| 452 | M | 52.3 | Low | 51 | Low | 54 Ų | 54 | 91.2 Ų | 91.2 | 27% | 0.266 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -28.7 | 177.2 | -74.3 | 171.5 | 43.8 | 0 | 0 | 114.3 | P246 R448 L449 | P246-M452 HydrophobicContact CB-CE 3.74Å; P246-M452 HydrophobicContact CB-SD 4.35Å; P246-M452 HydrophobicContact CG-CE 4.13Å; R448-M452 WeakPolarHBondContact O-CG 3.39Å; R448-M452 PolarHBondContact O-N 2.88Å; L449-M452 HydrophobicContact CD2-CE 4.36Å; L449-M452 PolarHBondContact O-N 3.29Å |
| 453 | S | 49 | Very low | 48.6 | Very low | 55 Ų | 55 | 96.3 Ų | 96.3 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.8 | -174.9 | 65.7 | 0 | 0 | 0 | 0 | 115 | L449 P455 | L449-S453 WeakPolarHBondContact O-CB 3.12Å; L449-S453 PolarHBondContact O-N 2.85Å; L449-S453 PolarHBondContact O-OG 2.7Å; S453-P455 WeakPolarHBondContact O-CD 3.47Å |
| 454 | K | 40.8 | Very low | 46.4 | Very low | 142 Ų | 142 | 102.5 Ų | 102.5 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -72.7 | 118.9 | 173.5 | -77.2 | 178.5 | -179.8 | 173.1 | 0 | 110.9 | ||
| 455 | P | 34.8 | Very low | 44.1 | Very low | 103 Ų | 103 | 105 Ų | 105 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | trans | -66.4 | 141.3 | 167.1 | 29.3 | -33.6 | 0 | 0 | 0 | 109.9 | S453 S457 | S453-P455 WeakPolarHBondContact O-CD 3.47Å; P455-S457 VanDerWaalsContact C-N 3.25Å; P455-S457 PolarHBondContact O-N 2.69Å | ||
| 456 | S | 26.6 | Very low | 42.3 | Very low | 129 Ų | 129 | 110 Ų | 110 | 90% | 0.902 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -76 | 73.5 | 176.6 | 57 | 0 | 0 | 0 | 0 | 110.9 | ||
| 457 | S | 29.2 | Very low | 40.4 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | trans | -147.6 | 62.1 | -174.1 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | P455 | P455-S457 VanDerWaalsContact C-N 3.25Å; P455-S457 PolarHBondContact O-N 2.69Å | ||
| 458 | S | 30.7 | Very low | 38.6 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | trans | -162.1 | 101.8 | 159.8 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | Q460 | S458-Q460 PolarHBondContact O-N 2.88Š| ||
| 459 | D | 26.3 | Very low | 36.9 | Very low | 171 Ų | 171 | 118.5 Ų | 118.5 | 91% | 0.914 | 69% | 0.685 | S | S | * | * | trans | -71.9 | 91.9 | 163.1 | -75.2 | -60 | 0 | 0 | 0 | 109.7 | ||||
| 460 | Q | 31.3 | Very low | 35.5 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | -126.5 | 55.7 | 166.8 | -74.4 | -163.8 | -12.9 | 0 | 0 | 111.2 | S458 Q462 | S458-Q460 PolarHBondContact O-N 2.88Å; Q460-Q462 PolarHBondContact O-N 3.2Å | ||
| 461 | A | 25.7 | Very low | 33.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -88 | 72.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 462 | Q | 30.9 | Very low | 32.5 | Very low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -158.6 | 142.3 | 166.2 | -121.9 | 152.9 | 89.4 | 0 | 0 | 115 | Q460 | Q460-Q462 PolarHBondContact O-N 3.2Š| ||
| 463 | S | 26.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 48.6 | 101.5 | 166.2 | 61.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 464 | L | 31.7 | Very low | 30.9 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | -156.8 | 65.7 | 130 | -114.7 | 170.7 | 0 | 0 | 0 | 111.4 | V466 | L464-V466 HydrophobicContact CD2-CG2 4.09Š| |||
| 465 | S | 26.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -90.8 | 97.5 | 171.8 | 59 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 466 | V | 35.3 | Very low | 30.6 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -103.1 | 102.2 | 166.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | L464 | L464-V466 HydrophobicContact CD2-CG2 4.09Š| ||
| 467 | K | 29.6 | Very low | 30.9 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 132.7 | 161.3 | -69.2 | 179.2 | 178.6 | 179 | 0 | 107.8 | ||||
| 468 | N | 32.9 | Very low | 31.4 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -149.4 | 121.8 | 139.5 | -110.7 | -15.9 | 0 | 0 | 0 | 110 | ||||
| 469 | S | 29.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -90.4 | 139.4 | 177 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 470 | L | 33 | Very low | 32 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -138.7 | 114.6 | 151.8 | -146 | 77.2 | 0 | 0 | 0 | 109.9 | ||||
| 471 | S | 26.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -98.8 | 123.3 | 176.9 | 52 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 472 | V | 34.2 | Very low | 32.8 | Very low | 136 Ų | 136 | 149 Ų | 149 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 122.1 | 159.8 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 473 | Q | 30.2 | Very low | 32.9 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -107.4 | 135.3 | -178.1 | 178.7 | 176.1 | -23.6 | 0 | 0 | 108.5 | D475 | Q473-D475 PolarHBondContact NE2-OD1 2.81Š| ||
| 474 | K | 35.8 | Very low | 33.4 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -153.8 | 134.8 | 161.5 | -141.8 | 169.5 | -171.8 | 176 | 0 | 111.1 | ||||
| 475 | D | 31.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | trans | -93.9 | 151.7 | -165.1 | -32.1 | -91.7 | 0 | 0 | 0 | 111 | Q473 | Q473-D475 PolarHBondContact NE2-OD1 2.81Š| ||
| 476 | L | 39 | Very low | 33.5 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -162.7 | 130.2 | 143.5 | -121.9 | 132.8 | 0 | 0 | 0 | 110.3 | ||||
| 477 | D | 32.9 | Very low | 33.1 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 158.6 | -171.9 | -51 | -94.9 | 0 | 0 | 0 | 113.8 | ||||
| 478 | I | 40.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 143 Ų | 143 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | -162.4 | 148.4 | 128.8 | -100.3 | 152.4 | 0 | 0 | 0 | 110.3 | |||||
| 479 | E | 35.1 | Very low | 33 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -28.7 | 133.2 | -178 | -68.4 | -164.9 | 104.7 | 0 | 0 | 118.5 | ||||
| 480 | K | 32.6 | Very low | 33 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 81% | 0.809 | 80% | 0.799 | S | S | * | * | 104 | 150.5 | 57 | -108.7 | -152.3 | 169.5 | -179.6 | 0 | 111.8 | |||||
| 481 | P | 35.9 | Very low | 32.8 | Very low | 109 Ų | 109 | 142 Ų | 142 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | -139 | -147.8 | -114.9 | 46.3 | -23.5 | 0 | 0 | 0 | 112.6 | |||||
| 482 | P | 39.5 | Very low | 32.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -104.6 | 177.1 | -156.7 | 43.6 | -41.4 | 0 | 0 | 0 | 116 | ||||
| 483 | S | 33.2 | Very low | 32.9 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -176.7 | 162.4 | 144.7 | 49 | 0 | 0 | 0 | 0 | 114 | ||||
| 484 | S | 35.2 | Very low | 33 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 54.1 | 133.9 | 154.2 | 51.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 485 | V | 29.4 | Very low | 32.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | cis | 63.3 | 90.9 | 26.7 | -167.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 486 | L | 31.5 | Very low | 33 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -169.4 | -179.4 | 131 | -116.4 | 141.4 | 0 | 0 | 0 | 113.5 | ||||
| 487 | L | 26.1 | Very low | 32.8 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -127.2 | 120.4 | -164.2 | -172.1 | 90.6 | 0 | 0 | 0 | 111.3 | ||||
| 488 | A | 31.7 | Very low | 32.9 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -168.3 | 138.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 489 | Q | 29.2 | Very low | 32.7 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | cis | 78.9 | 135.5 | 44.3 | -76.3 | -158.8 | -41.3 | 0 | 0 | 115.9 | ||||
| 490 | V | 30.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 77.7 | 150.6 | 165.5 | 173 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 491 | T | 27.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | cis | -168.8 | 162.9 | -46.2 | -60.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 492 | L | 29.5 | Very low | 32.9 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 72.5 | 161.7 | 169.5 | -65.6 | 120.4 | 0 | 0 | 0 | 116.5 | ||||
| 493 | S | 35.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | -147.9 | 139.7 | 8 | -17.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 494 | T | 31.4 | Very low | 33.1 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 16.9 | 133.8 | 142.8 | 55.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 495 | A | 34.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | 143.4 | 160 | 121.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 496 | A | 33.5 | Very low | 33.4 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -177.6 | 163.2 | -40.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 497 | S | 35.4 | Very low | 33.5 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 69.6 | 121 | 173.6 | 80.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 498 | S | 34.6 | Very low | 34.2 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 88.4 | 145.6 | 63.9 | 81 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 499 | T | 35.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -155.2 | 162.4 | 21.8 | 41.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 500 | T | 35.4 | Very low | 34.5 | Very low | 128 Ų | 128 | 120 Ų | 120 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 48.3 | 138.5 | 147.8 | 53 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 501 | S | 36.1 | Very low | 34.6 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -160.6 | -158.2 | -1.1 | 47.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 502 | S | 36.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -156.9 | -154.1 | 22 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 503 | S | 35.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -146.3 | -170.9 | 179.3 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 504 | P | 41.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -116 | 162.1 | 6.5 | 11 | 16.7 | 0 | 0 | 0 | 115.1 | ||||
| 505 | L | 34.4 | Very low | 35.9 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | 72.5 | 134.6 | 75.3 | -126.5 | 67.2 | 0 | 0 | 0 | 112.6 | |||||
| 506 | D | 36.3 | Very low | 36.1 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | -145.8 | 167.6 | 52.7 | -75.5 | -37.3 | 0 | 0 | 0 | 117.6 | |||||
| 507 | T | 34.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | -148 | 153.9 | 168.3 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 508 | P | 41.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -148.2 | 150 | 102.8 | 40 | -24.5 | 0 | 0 | 0 | 113 | |||||
| 509 | I | 31.5 | Very low | 40 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | 59.2 | 110.5 | 60.1 | -54.5 | -179 | 0 | 0 | 0 | 114.7 | |||||
| 510 | S | 35.4 | Very low | 41.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -157.8 | 129.4 | 147.9 | -84.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 511 | A | 31.3 | Very low | 44 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -144.5 | 124 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 512 | T | 40.4 | Very low | 46.1 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | trans | -149.5 | 155.8 | 178.6 | 51.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 513 | F | 34.8 | Very low | 48.4 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 75% | 0.746 | 73% | 0.726 | S | S | * | * | cis | -148.9 | 142.7 | -40.9 | -170.4 | -96.6 | 0 | 0 | 0 | 107.8 | ||||
| 514 | K | 37 | Very low | 50.8 | Low | 167 Ų | 167 | 129.1 Ų | 129.1 | 73% | 0.726 | 71% | 0.714 | S | S | * | * | trans | -20.6 | 131.2 | 177.8 | -58.6 | 162.4 | -177.6 | 168.4 | 0 | 116.6 | ||||
| 515 | L | 39.4 | Very low | 52.9 | Low | 179 Ų | 179 | 126.5 Ų | 126.5 | 94% | 0.937 | 70% | 0.702 | S | S | * | * | trans | -124.1 | 144.3 | 140.1 | -137.4 | 80.4 | 0 | 0 | 0 | 111.4 | G517 | L515-G517 PolarHBondContact O-N 2.86Š| ||
| 516 | R | 38.7 | Very low | 55.5 | Low | 247 Ų | 247 | 124.3 Ų | 124.3 | 93% | 0.932 | 69% | 0.69 | S | S | * | * | trans | -83.9 | 76.8 | -154.9 | -167.2 | 180 | -167.4 | 165 | 0.7 | 112.5 | S518 | R516-S518 PolarHBondContact O-N 2.83Š| ||
| 517 | G | 50 | Low | 58.1 | Low | 69 Ų | 69 | 121.9 Ų | 121.9 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | trans | -54.8 | 125.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L515 | L515-G517 PolarHBondContact O-N 2.86Š| ||
| 518 | S | 61.8 | Low | 60.8 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | trans | -75.7 | 143.5 | -176.1 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | R516 V520 P521 | R516-S518 PolarHBondContact O-N 2.83Å; S518-V520 PolarHBondContact O-N 3.47Å; S518-V520 VanDerWaalsContact OG-CG2 3.29Å; S518-V520 WeakPolarHBondContact OG-CG2 3.46Å; S518-V520 PolarHBondContact OG-N 3.29Å; S518-P521 WeakPolarHBondContact O-CD 3.44Å | ||
| 519 | N | 71.9 | Confident | 63.1 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -73.2 | -2.3 | 175.6 | -71.2 | -15.7 | 0 | 0 | 0 | 113.9 | P521 Y522 I523 | N519-P521 VanDerWaalsContact C-CD 3.43Å; N519-Y522 PolarHBondContact O-N 3.28Å; N519-I523 HydrophobicContact CB-CD1 4.34Å; N519-I523 PolarHBondContact O-N 3.15Å; N519-I523 VanDerWaalsContact O-N 3.14Å |
| 520 | V | 76.5 | Confident | 66 | Low | 77 Ų | 77 | 115.5 Ų | 115.5 | 47% | 0.467 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -49.4 | -44.6 | -179.4 | 165 | 0 | 0 | 0 | 0 | 115.5 | S518 Y522 I523 I524 | S518-V520 PolarHBondContact O-N 3.47Å; S518-V520 VanDerWaalsContact OG-CG2 3.29Å; S518-V520 WeakPolarHBondContact OG-CG2 3.46Å; S518-V520 PolarHBondContact OG-N 3.29Å; V520-Y522 VanDerWaalsContact C-N 3.34Å; V520-Y522 PolarHBondContact O-N 2.95Å; V520-I523 PolarHBondContact O-N 2.99Å; V520-I524 HydrophobicContact CG1-CD1 3.56Å; V520-I524 HydrophobicContact CG1-CG1 4.25Å; V520-I524 WeakPolarHBondContact O-CG1 3.31Å; V520-I524 PolarHBondContact O-N 2.91Å |
| 521 | P | 79.6 | Confident | 68.6 | Low | 78 Ų | 78 | 114.7 Ų | 114.7 | 51% | 0.506 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.5 | -33.3 | -178.8 | 27.1 | -32.8 | 0 | 0 | 0 | 112.5 | S518 N519 I524 A525 | S518-P521 WeakPolarHBondContact O-CD 3.44Å; N519-P521 VanDerWaalsContact C-CD 3.43Å; P521-I524 PolarHBondContact O-N 2.92Å; P521-A525 WeakPolarHBondContact O-CB 3.44Å; P521-A525 PolarHBondContact O-N 3.01Å |
| 522 | Y | 80.7 | Confident | 71.5 | Confident | 173 Ų | 173 | 112.2 Ų | 112.2 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -40.6 | 173 | -70.5 | -78.2 | 0 | 0 | 0 | 111.7 | N519 V520 A525 I526 | N519-Y522 PolarHBondContact O-N 3.28Å; V520-Y522 VanDerWaalsContact C-N 3.34Å; V520-Y522 PolarHBondContact O-N 2.95Å; Y522-A525 PolarHBondContact O-N 3.2Å; Y522-I526 VanDerWaalsContact O-CG1 3.3Å; Y522-I526 WeakPolarHBondContact O-CG1 3.37Å; Y522-I526 PolarHBondContact O-N 3.27Å |
| 523 | I | 84.5 | Confident | 73.9 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 47% | 0.472 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.8 | -43.8 | 175.7 | -65 | 167.4 | 0 | 0 | 0 | 110.5 | N519 V520 I526 I527 | N519-I523 HydrophobicContact CB-CD1 4.34Å; N519-I523 PolarHBondContact O-N 3.15Å; N519-I523 VanDerWaalsContact O-N 3.14Å; V520-I523 PolarHBondContact O-N 2.99Å; I523-I526 PolarHBondContact O-N 3.04Å; I523-I527 HydrophobicContact CG2-CD1 3.81Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.41Å; I523-I527 PolarHBondContact O-N 3.38Å |
| 524 | I | 85.6 | Confident | 76.6 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 175.1 | -69.3 | 168.9 | 0 | 0 | 0 | 111.1 | V520 P521 I527 C528 | V520-I524 HydrophobicContact CG1-CD1 3.56Å; V520-I524 HydrophobicContact CG1-CG1 4.25Å; V520-I524 WeakPolarHBondContact O-CG1 3.31Å; V520-I524 PolarHBondContact O-N 2.91Å; P521-I524 PolarHBondContact O-N 2.92Å; I524-I527 PolarHBondContact O-N 2.88Å; I524-C528 VanDerWaalsContact O-CB 3.29Å; I524-C528 WeakPolarHBondContact O-CB 3.28Å; I524-C528 PolarHBondContact O-N 3.1Å |
| 525 | A | 85.4 | Confident | 79.1 | Confident | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P521 Y522 C528 C529 | P521-A525 WeakPolarHBondContact O-CB 3.44Å; P521-A525 PolarHBondContact O-N 3.01Å; Y522-A525 PolarHBondContact O-N 3.2Å; A525-C528 PolarHBondContact O-N 2.75Å; A525-C529 WeakPolarHBondContact O-CB 3.19Å; A525-C529 PolarHBondContact O-N 3.49Å |
| 526 | I | 89.6 | Confident | 81.4 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.7 | -48.7 | 175.4 | -68.7 | 164.2 | 0 | 0 | 0 | 110.5 | Y522 I523 C528 C529 C530 | Y522-I526 VanDerWaalsContact O-CG1 3.3Å; Y522-I526 WeakPolarHBondContact O-CG1 3.37Å; Y522-I526 PolarHBondContact O-N 3.27Å; I523-I526 PolarHBondContact O-N 3.04Å; I526-C528 VanDerWaalsContact C-N 3.32Å; I526-C528 PolarHBondContact O-N 3.34Å; I526-C529 PolarHBondContact O-N 2.75Å; I526-C530 PolarHBondContact O-N 3.06Å; I526-C530 PolarHBondContact O-SG 3.08Å; I526-C530 VanDerWaalsContact O-SG 3.33Å |
| 527 | I | 91.2 | Very high | 83.9 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 177.4 | -70.1 | 167.2 | 0 | 0 | 0 | 110.8 | I523 I524 C529 C530 L531 | I523-I527 HydrophobicContact CG2-CD1 3.81Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.41Å; I523-I527 PolarHBondContact O-N 3.38Å; I524-I527 PolarHBondContact O-N 2.88Å; I527-C529 PolarHBondContact O-N 2.87Å; I527-C530 PolarHBondContact O-N 2.81Å; I527-L531 HydrophobicContact CG2-CD1 3.83Å; I527-L531 HydrophobicContact CG2-CG 4.39Å; I527-L531 WeakPolarHBondContact O-CB 3.4Å; I527-L531 VanDerWaalsContact O-CG 3.29Å; I527-L531 WeakPolarHBondContact O-CG 3.43Å; I527-L531 PolarHBondContact O-N 3.41Å |
| 528 | C | 89.9 | Confident | 85.7 | Confident | 84 Ų | 84 | 91.5 Ų | 91.5 | 57% | 0.568 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 177.5 | -167.1 | 0 | 0 | 0 | 0 | 112.1 | I524 A525 I526 L531 G532 | I524-C528 VanDerWaalsContact O-CB 3.29Å; I524-C528 WeakPolarHBondContact O-CB 3.28Å; I524-C528 PolarHBondContact O-N 3.1Å; A525-C528 PolarHBondContact O-N 2.75Å; I526-C528 VanDerWaalsContact C-N 3.32Å; I526-C528 PolarHBondContact O-N 3.34Å; C528-L531 PolarHBondContact O-N 3.17Å; C528-G532 PolarHBondContact O-N 3.46Å |
| 529 | C | 89.4 | Confident | 87 | Confident | 85 Ų | 85 | 94 Ų | 94 | 57% | 0.574 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 176.9 | -167.8 | 0 | 0 | 0 | 0 | 112.5 | A525 I526 I527 G532 S533 | A525-C529 WeakPolarHBondContact O-CB 3.19Å; A525-C529 PolarHBondContact O-N 3.49Å; I526-C529 PolarHBondContact O-N 2.75Å; I527-C529 PolarHBondContact O-N 2.87Å; C529-G532 PolarHBondContact O-N 3.36Å; C529-S533 WeakPolarHBondContact O-CB 3.23Å; C529-S533 PolarHBondContact O-N 2.68Å; C529-S533 PolarHBondContact O-OG 3.16Å |
| 530 | C | 91.9 | Very high | 87.7 | Confident | 79 Ų | 79 | 94.2 Ų | 94.2 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 173.7 | -67.6 | 0 | 0 | 0 | 0 | 112 | I526 I527 S533 F534 | I526-C530 PolarHBondContact O-N 3.06Å; I526-C530 PolarHBondContact O-SG 3.08Å; I526-C530 VanDerWaalsContact O-SG 3.33Å; I527-C530 PolarHBondContact O-N 2.81Å; C530-S533 PolarHBondContact O-N 3.44Å; C530-F534 WeakPolarHBondContact O-CB 3.46Å; C530-F534 PolarHBondContact O-N 2.84Å |
| 531 | L | 91.6 | Very high | 88.3 | Confident | 113 Ų | 113 | 93.4 Ų | 93.4 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 176 | -73.2 | 170.6 | 0 | 0 | 0 | 111.9 | I527 C528 F534 A535 | I527-L531 HydrophobicContact CG2-CD1 3.83Å; I527-L531 HydrophobicContact CG2-CG 4.39Å; I527-L531 WeakPolarHBondContact O-CB 3.4Å; I527-L531 VanDerWaalsContact O-CG 3.29Å; I527-L531 WeakPolarHBondContact O-CG 3.43Å; I527-L531 PolarHBondContact O-N 3.41Å; C528-L531 PolarHBondContact O-N 3.17Å; L531-F534 PolarHBondContact O-N 3.38Å; L531-A535 WeakPolarHBondContact O-CB 3.28Å; L531-A535 PolarHBondContact O-N 3.4Å |
| 532 | G | 91.3 | Very high | 88.7 | Confident | 42 Ų | 42 | 94.1 Ų | 94.1 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C528 C529 A535 F536 | C528-G532 PolarHBondContact O-N 3.46Å; C529-G532 PolarHBondContact O-N 3.36Å; G532-A535 PolarHBondContact O-N 3.23Å; G532-F536 WeakPolarHBondContact O-CB 3.21Å; G532-F536 PolarHBondContact O-N 3.01Å |
| 533 | S | 90.6 | Very high | 89 | Confident | 72 Ų | 72 | 90 Ų | 90 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | C529 C530 F536 A537 | C529-S533 WeakPolarHBondContact O-CB 3.23Å; C529-S533 PolarHBondContact O-N 2.68Å; C529-S533 PolarHBondContact O-OG 3.16Å; C530-S533 PolarHBondContact O-N 3.44Å; S533-F536 PolarHBondContact O-N 3.39Å; S533-A537 WeakPolarHBondContact O-CB 3.3Å; S533-A537 PolarHBondContact O-N 2.99Å |
| 534 | F | 91.7 | Very high | 89.1 | Confident | 143 Ų | 143 | 89.7 Ų | 89.7 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -41.6 | 176 | -173.5 | -98.4 | 0 | 0 | 0 | 112.1 | C530 L531 A537 C538 | C530-F534 WeakPolarHBondContact O-CB 3.46Å; C530-F534 PolarHBondContact O-N 2.84Å; L531-F534 PolarHBondContact O-N 3.38Å; F534-A537 PolarHBondContact O-N 2.84Å; F534-C538 WeakPolarHBondContact O-CB 3.43Å; F534-C538 PolarHBondContact O-N 2.94Å; F534-C538 PolarHBondContact O-SG 2.89Å; F534-C538 VanDerWaalsContact O-SG 3.34Å |
| 535 | A | 89.5 | Confident | 89.2 | Confident | 58 Ų | 58 | 90.1 Ų | 90.1 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L531 G532 C538 F539 | L531-A535 WeakPolarHBondContact O-CB 3.28Å; L531-A535 PolarHBondContact O-N 3.4Å; G532-A535 PolarHBondContact O-N 3.23Å; A535-C538 PolarHBondContact O-N 2.73Å; A535-F539 WeakPolarHBondContact O-CB 3.41Å; A535-F539 PolarHBondContact O-N 2.87Å |
| 536 | F | 88.5 | Confident | 89.3 | Confident | 146 Ų | 146 | 94.8 Ų | 94.8 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 175.8 | -171.5 | -94.7 | 0 | 0 | 0 | 111.8 | G532 S533 C538 F539 F540 | G532-F536 WeakPolarHBondContact O-CB 3.21Å; G532-F536 PolarHBondContact O-N 3.01Å; S533-F536 PolarHBondContact O-N 3.39Å; F536-C538 PolarHBondContact O-N 2.9Å; F536-F539 PolarHBondContact O-N 3.1Å; F536-F540 WeakPolarHBondContact O-CB 3.42Å; F536-F540 PolarHBondContact O-N 2.88Å |
| 537 | A | 89.8 | Confident | 89 | Confident | 57 Ų | 57 | 94.4 Ų | 94.4 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S533 F534 F540 A541 | S533-A537 WeakPolarHBondContact O-CB 3.3Å; S533-A537 PolarHBondContact O-N 2.99Å; F534-A537 PolarHBondContact O-N 2.84Å; A537-F540 PolarHBondContact O-N 2.81Å; A537-A541 WeakPolarHBondContact O-CB 3.39Å; A537-A541 PolarHBondContact O-N 3.2Å |
| 538 | C | 89.4 | Confident | 88.7 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 42% | 0.419 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.2 | -76.3 | 0 | 0 | 0 | 0 | 112.3 | F534 A535 F536 F542 | F534-C538 WeakPolarHBondContact O-CB 3.43Å; F534-C538 PolarHBondContact O-N 2.94Å; F534-C538 PolarHBondContact O-SG 2.89Å; F534-C538 VanDerWaalsContact O-SG 3.34Å; A535-C538 PolarHBondContact O-N 2.73Å; F536-C538 PolarHBondContact O-N 2.9Å; C538-F542 WeakPolarHBondContact O-CB 3.32Å; C538-F542 PolarHBondContact O-N 3.35Å |
| 539 | F | 88.2 | Confident | 88.4 | Confident | 134 Ų | 134 | 98.7 Ų | 98.7 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 176.7 | -166.4 | -91.9 | 0 | 0 | 0 | 111.8 | A535 F536 F542 M543 | A535-F539 WeakPolarHBondContact O-CB 3.41Å; A535-F539 PolarHBondContact O-N 2.87Å; F536-F539 PolarHBondContact O-N 3.1Å; F539-F542 PolarHBondContact O-N 3.05Å; F539-M543 HydrophobicContact CD1-CG 3.91Å; F539-M543 HydrophobicContact CE1-CG 3.69Å; F539-M543 HydrophobicContact CE1-SD 4.28Å; F539-M543 HydrophobicContact CZ-CG 4.4Å; F539-M543 WeakPolarHBondContact O-CB 3.42Å; F539-M543 WeakPolarHBondContact O-CG 3.48Å; F539-M543 PolarHBondContact O-N 3.47Å |
| 540 | F | 86.9 | Confident | 88 | Confident | 121 Ų | 121 | 101.5 Ų | 101.5 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.6 | -162 | -103.4 | 0 | 0 | 0 | 111.6 | F536 A537 F542 M543 I544 | F536-F540 WeakPolarHBondContact O-CB 3.42Å; F536-F540 PolarHBondContact O-N 2.88Å; A537-F540 PolarHBondContact O-N 2.81Å; F540-F542 VanDerWaalsContact C-N 3.35Å; F540-F542 PolarHBondContact O-N 2.88Å; F540-M543 PolarHBondContact O-N 3.48Å; F540-I544 HydrophobicContact CD1-CD1 3.74Å; F540-I544 HydrophobicContact CD1-CG1 4.5Å; F540-I544 HydrophobicContact CE1-CD1 3.62Å; F540-I544 HydrophobicContact CE1-CG1 4.45Å; F540-I544 HydrophobicContact CZ-CD1 4.49Å; F540-I544 WeakPolarHBondContact O-CG1 3.25Å; F540-I544 PolarHBondContact O-N 3.18Å |
| 541 | A | 88.4 | Confident | 87.5 | Confident | 59 Ų | 59 | 106.5 Ų | 106.5 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A537 I544 F545 | A537-A541 WeakPolarHBondContact O-CB 3.39Å; A537-A541 PolarHBondContact O-N 3.2Å; A541-I544 PolarHBondContact O-N 3.15Å; A541-F545 WeakPolarHBondContact O-CB 3.4Å; A541-F545 PolarHBondContact O-N 3.22Å |
| 542 | F | 89.3 | Confident | 87 | Confident | 93 Ų | 93 | 109.5 Ų | 109.5 | 41% | 0.408 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 175 | -177.1 | -106.4 | 0 | 0 | 0 | 112.7 | C538 F539 F540 F545 R546 | C538-F542 WeakPolarHBondContact O-CB 3.32Å; C538-F542 PolarHBondContact O-N 3.35Å; F539-F542 PolarHBondContact O-N 3.05Å; F540-F542 VanDerWaalsContact C-N 3.35Å; F540-F542 PolarHBondContact O-N 2.88Å; F542-F545 PolarHBondContact O-N 2.89Å; F542-R546 HydrophobicContact CD1-CG 4.48Å; F542-R546 HydrophobicContact CE1-CG 4.24Å; F542-R546 HydrophobicContact CZ-CG 4.38Å; F542-R546 WeakPolarHBondContact O-CB 3.34Å; F542-R546 PolarHBondContact O-N 3.08Å |
| 543 | M | 85.6 | Confident | 86.4 | Confident | 88 Ų | 88 | 115.5 Ų | 115.5 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 173.4 | -77.5 | -69.2 | -81.2 | 0 | 0 | 111.5 | F539 F540 F545 R546 L547 | F539-M543 HydrophobicContact CD1-CG 3.91Å; F539-M543 HydrophobicContact CE1-CG 3.69Å; F539-M543 HydrophobicContact CE1-SD 4.28Å; F539-M543 HydrophobicContact CZ-CG 4.4Å; F539-M543 WeakPolarHBondContact O-CB 3.42Å; F539-M543 WeakPolarHBondContact O-CG 3.48Å; F539-M543 PolarHBondContact O-N 3.47Å; F540-M543 PolarHBondContact O-N 3.48Å; M543-F545 VanDerWaalsContact C-N 3.33Å; M543-F545 PolarHBondContact O-N 2.84Å; M543-R546 PolarHBondContact O-N 3.47Å; M543-L547 WeakPolarHBondContact O-CB 3.42Å; M543-L547 WeakPolarHBondContact O-CG 3.2Å; M543-L547 PolarHBondContact O-N 2.94Å |
| 544 | I | 87.3 | Confident | 85.7 | Confident | 84 Ų | 84 | 119.6 Ų | 119.6 | 43% | 0.431 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 171.6 | -70.8 | 172 | 0 | 0 | 0 | 110.5 | F540 A541 L547 K548 | F540-I544 HydrophobicContact CD1-CD1 3.74Å; F540-I544 HydrophobicContact CD1-CG1 4.5Å; F540-I544 HydrophobicContact CE1-CD1 3.62Å; F540-I544 HydrophobicContact CE1-CG1 4.45Å; F540-I544 HydrophobicContact CZ-CD1 4.49Å; F540-I544 WeakPolarHBondContact O-CG1 3.25Å; F540-I544 PolarHBondContact O-N 3.18Å; A541-I544 PolarHBondContact O-N 3.15Å; I544-L547 PolarHBondContact O-N 2.86Å; I544-K548 WeakPolarHBondContact O-CB 3.35Å; I544-K548 PolarHBondContact O-N 2.82Å |
| 545 | F | 86.9 | Confident | 85 | Confident | 113 Ų | 113 | 117.4 Ų | 117.4 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176 | 177.8 | -102.2 | 0 | 0 | 0 | 112.1 | A541 F542 M543 K548 R549 | A541-F545 WeakPolarHBondContact O-CB 3.4Å; A541-F545 PolarHBondContact O-N 3.22Å; F542-F545 PolarHBondContact O-N 2.89Å; M543-F545 VanDerWaalsContact C-N 3.33Å; M543-F545 PolarHBondContact O-N 2.84Å; F545-K548 PolarHBondContact O-N 2.97Å; F545-R549 WeakPolarHBondContact O-CB 3.42Å; F545-R549 PolarHBondContact O-N 3.4Å |
| 546 | R | 87.1 | Confident | 84.3 | Confident | 156 Ų | 156 | 121.9 Ų | 121.9 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 174.6 | -80.8 | -168.2 | 169.7 | -157.2 | -0.2 | 111.9 | F542 M543 R549 Y550 | F542-R546 HydrophobicContact CD1-CG 4.48Å; F542-R546 HydrophobicContact CE1-CG 4.24Å; F542-R546 HydrophobicContact CZ-CG 4.38Å; F542-R546 WeakPolarHBondContact O-CB 3.34Å; F542-R546 PolarHBondContact O-N 3.08Å; M543-R546 PolarHBondContact O-N 3.47Å; R546-R549 PolarHBondContact O-N 2.94Å; R546-Y550 VanDerWaalsContact O-CB 3.25Å; R546-Y550 WeakPolarHBondContact O-CB 3.32Å; R546-Y550 PolarHBondContact O-N 2.82Å |
| 547 | L | 84.1 | Confident | 83.6 | Confident | 100 Ų | 100 | 122.1 Ų | 122.1 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.4 | -76.4 | 164.8 | 0 | 0 | 0 | 111.9 | M543 I544 Y550 R551 | M543-L547 WeakPolarHBondContact O-CB 3.42Å; M543-L547 WeakPolarHBondContact O-CG 3.2Å; M543-L547 PolarHBondContact O-N 2.94Å; I544-L547 PolarHBondContact O-N 2.86Å; L547-Y550 PolarHBondContact O-N 2.86Å; L547-R551 WeakPolarHBondContact O-CB 3.34Å; L547-R551 WeakPolarHBondContact O-CG 3.38Å; L547-R551 PolarHBondContact O-N 3.42Å |
| 548 | K | 84.9 | Confident | 82.2 | Confident | 133 Ų | 133 | 123.8 Ų | 123.8 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.7 | -37.1 | 178.2 | -156.3 | 167.2 | -171.7 | 173.4 | 0 | 111.4 | I544 F545 R552 | I544-K548 WeakPolarHBondContact O-CB 3.35Å; I544-K548 PolarHBondContact O-N 2.82Å; F545-K548 PolarHBondContact O-N 2.97Å; K548-R552 WeakPolarHBondContact O-CB 3.38Å; K548-R552 VanDerWaalsContact O-CG 3.3Å; K548-R552 WeakPolarHBondContact O-CG 3.33Å; K548-R552 PolarHBondContact O-N 2.77Å |
| 549 | R | 84 | Confident | 80.7 | Confident | 135 Ų | 135 | 126.4 Ų | 126.4 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.7 | -35.6 | 173.7 | -166.7 | 173.6 | -171.6 | 177.6 | 3 | 112.4 | F545 R546 R553 | F545-R549 WeakPolarHBondContact O-CB 3.42Å; F545-R549 PolarHBondContact O-N 3.4Å; R546-R549 PolarHBondContact O-N 2.94Å; R549-R553 WeakPolarHBondContact O-CB 3.44Å; R549-R553 WeakPolarHBondContact O-CG 3.47Å; R549-R553 PolarHBondContact O-N 3.34Å |
| 550 | Y | 81.1 | Confident | 79.2 | Confident | 143 Ų | 143 | 127.8 Ų | 127.8 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.6 | -50 | 173.8 | -178.9 | -89.9 | 0 | 0 | 0 | 111.1 | R546 L547 R552 R553 R554 | R546-Y550 VanDerWaalsContact O-CB 3.25Å; R546-Y550 WeakPolarHBondContact O-CB 3.32Å; R546-Y550 PolarHBondContact O-N 2.82Å; L547-Y550 PolarHBondContact O-N 2.86Å; Y550-R552 PolarHBondContact O-N 2.86Å; Y550-R553 CarbonylContact O-C 3.21Å; Y550-R553 WeakPolarHBondContact O-CA 3.36Å; Y550-R553 PolarHBondContact O-N 2.72Å; Y550-R554 PolarHBondContact O-N 2.69Å |
| 551 | R | 81.1 | Confident | 77.5 | Confident | 185 Ų | 185 | 129.1 Ų | 129.1 | 70% | 0.698 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -55.8 | -46.7 | 172.8 | -74.9 | -176.1 | 177.8 | -171.1 | 0 | 111.3 | L547 R553 R554 L555 | L547-R551 WeakPolarHBondContact O-CB 3.34Å; L547-R551 WeakPolarHBondContact O-CG 3.38Å; L547-R551 PolarHBondContact O-N 3.42Å; R551-R553 VanDerWaalsContact C-N 3.34Å; R551-R553 PolarHBondContact O-N 3.04Å; R551-R554 PolarHBondContact O-N 2.82Å; R551-L555 WeakPolarHBondContact O-CB 3.41Å; R551-L555 PolarHBondContact O-N 3.36Å |
| 552 | R | 80.7 | Confident | 75.4 | Confident | 176 Ų | 176 | 134.4 Ų | 134.4 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60 | -37.2 | 173.3 | -78.7 | 179 | 170 | -173.4 | -2.6 | 113.3 | K548 Y550 K556 | K548-R552 WeakPolarHBondContact O-CB 3.38Å; K548-R552 VanDerWaalsContact O-CG 3.3Å; K548-R552 WeakPolarHBondContact O-CG 3.33Å; K548-R552 PolarHBondContact O-N 2.77Å; Y550-R552 PolarHBondContact O-N 2.86Å; R552-K556 WeakPolarHBondContact O-CB 3.44Å; R552-K556 WeakPolarHBondContact O-CG 3.44Å; R552-K556 PolarHBondContact O-N 3.34Å |
| 553 | R | 80.1 | Confident | 72.9 | Confident | 167 Ų | 167 | 138.1 Ų | 138.1 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.5 | -38.6 | 174.1 | -82.4 | 177.5 | 166.6 | 176.6 | -5.4 | 112.6 | R549 Y550 R551 K556 K557 | R549-R553 WeakPolarHBondContact O-CB 3.44Å; R549-R553 WeakPolarHBondContact O-CG 3.47Å; R549-R553 PolarHBondContact O-N 3.34Å; Y550-R553 CarbonylContact O-C 3.21Å; Y550-R553 WeakPolarHBondContact O-CA 3.36Å; Y550-R553 PolarHBondContact O-N 2.72Å; R551-R553 VanDerWaalsContact C-N 3.34Å; R551-R553 PolarHBondContact O-N 3.04Å; R553-K556 PolarHBondContact O-N 3.44Å; R553-K557 PolarHBondContact O-N 2.84Å |
| 554 | R | 76.1 | Confident | 70.7 | Confident | 159 Ų | 159 | 140.8 Ų | 140.8 | 60% | 0.6 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -43.8 | 177.2 | -160.3 | 173.4 | -175.8 | -177.2 | 0.9 | 111 | Y550 R551 K557 L558 | Y550-R554 PolarHBondContact O-N 2.69Å; R551-R554 PolarHBondContact O-N 2.82Å; R554-K557 PolarHBondContact O-N 3.37Å; R554-K557 VanDerWaalsContact O-N 3.1Å; R554-L558 WeakPolarHBondContact O-CG 3.4Å; R554-L558 PolarHBondContact O-N 2.88Å |
| 555 | L | 75 | Confident | 68.4 | Low | 96 Ų | 96 | 141.6 Ų | 141.6 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -57.7 | -46.1 | 169.2 | -91.3 | 149.3 | 0 | 0 | 0 | 112.3 | R551 K557 L558 Q559 | R551-L555 WeakPolarHBondContact O-CB 3.41Å; R551-L555 PolarHBondContact O-N 3.36Å; L555-K557 PolarHBondContact O-N 2.7Å; L555-L558 PolarHBondContact O-N 2.65Å; L555-Q559 WeakPolarHBondContact O-CB 3.35Å; L555-Q559 WeakPolarHBondContact O-CG 3.38Å; L555-Q559 PolarHBondContact O-N 3.24Å |
| 556 | K | 76.7 | Confident | 65.8 | Low | 153 Ų | 153 | 145.7 Ų | 145.7 | 67% | 0.665 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.8 | -16.7 | 174.9 | -75.9 | -170.1 | 176.4 | -163.6 | 0 | 114.7 | R552 R553 K560 | R552-K556 WeakPolarHBondContact O-CB 3.44Å; R552-K556 WeakPolarHBondContact O-CG 3.44Å; R552-K556 PolarHBondContact O-N 3.34Å; R553-K556 PolarHBondContact O-N 3.44Å; K556-K560 WeakPolarHBondContact O-CB 3.29Å; K556-K560 WeakPolarHBondContact O-CG 3.29Å |
| 557 | K | 72.5 | Confident | 63.1 | Low | 151 Ų | 151 | 143.7 Ų | 143.7 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.8 | -48.2 | 168 | -80.1 | -168.1 | 171 | -166.1 | 0 | 111.1 | R553 R554 L555 Q559 K560 Q561 | R553-K557 PolarHBondContact O-N 2.84Å; R554-K557 PolarHBondContact O-N 3.37Å; R554-K557 VanDerWaalsContact O-N 3.1Å; L555-K557 PolarHBondContact O-N 2.7Å; K557-Q559 PolarHBondContact O-N 2.81Å; K557-K560 CarbonylContact O-C 3.55Å; K557-K560 WeakPolarHBondContact O-CA 3.3Å; K557-K560 PolarHBondContact O-N 2.87Å; K557-Q561 PolarHBondContact O-N 3.46Å |
| 558 | L | 61.1 | Low | 60.7 | Low | 92 Ų | 92 | 146.4 Ų | 146.4 | 48% | 0.482 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -58.3 | -48.3 | 176.5 | -69.3 | 165.2 | 0 | 0 | 0 | 111.6 | R554 L555 K560 Q561 Q562 | R554-L558 WeakPolarHBondContact O-CG 3.4Å; R554-L558 PolarHBondContact O-N 2.88Å; L555-L558 PolarHBondContact O-N 2.65Å; L558-K560 PolarHBondContact O-N 2.92Å; L558-K560 VanDerWaalsContact O-N 3.15Å; L558-Q561 PolarHBondContact O-N 2.83Å; L558-Q562 PolarHBondContact O-N 3.27Å |
| 559 | Q | 58.5 | Low | 58.2 | Low | 117 Ų | 117 | 147.1 Ų | 147.1 | 55% | 0.547 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -67 | -10.3 | 173.7 | -70.2 | -177.8 | -36.8 | 0 | 0 | 114.4 | L555 K557 K563 | L555-Q559 WeakPolarHBondContact O-CB 3.35Å; L555-Q559 WeakPolarHBondContact O-CG 3.38Å; L555-Q559 PolarHBondContact O-N 3.24Å; K557-Q559 PolarHBondContact O-N 2.81Å; Q559-K563 VanDerWaalsContact O-CB 3.27Å; Q559-K563 WeakPolarHBondContact O-CB 3.42Å; Q559-K563 WeakPolarHBondContact O-CG 3.28Å; Q559-K563 PolarHBondContact O-N 3.46Å |
| 560 | K | 56.4 | Low | 55.7 | Low | 162 Ų | 162 | 150.3 Ų | 150.3 | 70% | 0.704 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -98.5 | -14 | 168.9 | -85.3 | -166.2 | 168 | -156.8 | 0 | 113.5 | K556 K557 L558 K563 | K556-K560 WeakPolarHBondContact O-CB 3.29Å; K556-K560 WeakPolarHBondContact O-CG 3.29Å; K557-K560 CarbonylContact O-C 3.55Å; K557-K560 WeakPolarHBondContact O-CA 3.3Å; K557-K560 PolarHBondContact O-N 2.87Å; L558-K560 PolarHBondContact O-N 2.92Å; L558-K560 VanDerWaalsContact O-N 3.15Å; K560-K563 CarbonylContact O-C 3.55Å |
| 561 | Q | 50.6 | Low | 53.2 | Low | 149 Ų | 149 | 151.3 Ų | 151.3 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -90.1 | -32.1 | 169.9 | -69.8 | 177.8 | -74.8 | 0 | 0 | 111 | K557 L558 K563 | K557-Q561 PolarHBondContact O-N 3.46Å; L558-Q561 PolarHBondContact O-N 2.83Å; Q561-K563 VanDerWaalsContact C-N 3.29Å |
| 562 | Q | 43.9 | Very low | 50.8 | Low | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 0.5 | 164.4 | -71.7 | 179.6 | -44.8 | 0 | 0 | 113.8 | L558 | L558-Q562 PolarHBondContact O-N 3.27Š|
| 563 | K | 37 | Very low | 48.2 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 61 | 165 | -67.2 | -166.6 | 171.4 | -167.2 | 0 | 110.8 | Q559 K560 Q561 | Q559-K563 VanDerWaalsContact O-CB 3.27Å; Q559-K563 WeakPolarHBondContact O-CB 3.42Å; Q559-K563 WeakPolarHBondContact O-CG 3.28Å; Q559-K563 PolarHBondContact O-N 3.46Å; K560-K563 CarbonylContact O-C 3.55Å; Q561-K563 VanDerWaalsContact C-N 3.29Å |
| 564 | L | 39.7 | Very low | 45.8 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -70.6 | 137 | 155.5 | -146.3 | 65.8 | 0 | 0 | 0 | 107.6 | H566 | L564-H566 PolarHBondContact O-N 2.89Š| ||
| 565 | P | 39.1 | Very low | 43.7 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | trans | -85.8 | 117.5 | -158.5 | 30.6 | -35 | 0 | 0 | 0 | 114.5 | T567 | P565-T567 PolarHBondContact O-N 3.4Å; P565-T567 VanDerWaalsContact O-N 3.11Å | ||
| 566 | H | 32 | Very low | 41.6 | Very low | 199 Ų | 199 | 149 Ų | 149 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 84.3 | 159.5 | -80.5 | -89.9 | 0 | 0 | 0 | 110.5 | L564 | L564-H566 PolarHBondContact O-N 2.89Š| ||
| 567 | T | 31.1 | Very low | 39.3 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | -145.1 | 68.4 | 172.4 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | P565 | P565-T567 PolarHBondContact O-N 3.4Å; P565-T567 VanDerWaalsContact O-N 3.11Å | ||
| 568 | L | 34.1 | Very low | 37.2 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 175.4 | 127.2 | 153.9 | -116.1 | 80 | 0 | 0 | 0 | 104.6 | ||
| 569 | D | 32.2 | Very low | 35.6 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | cis | -129.2 | 165.4 | 0.1 | -92.2 | -57.1 | 0 | 0 | 0 | 112.1 | ||||
| 570 | K | 31.3 | Very low | 34.2 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -141.2 | 85 | -169.5 | -170.9 | -164.7 | -173.7 | -171.4 | 0 | 112.2 | ||||
| 571 | Q | 29.2 | Very low | 32.8 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -166.4 | 118.5 | 164.2 | -119 | 169.8 | -6.3 | 0 | 0 | 113.3 | ||||
| 572 | S | 28.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 147.4 | 55.2 | 142.2 | 68.2 | 0 | 0 | 0 | 0 | 117 | ||
| 573 | S | 26.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -158.9 | 99.9 | 145.2 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 574 | M | 29.8 | Very low | 30.6 | Very low | 181 Ų | 181 | 146.8 Ų | 146.8 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | 175.6 | 59.5 | 168.2 | -99.2 | -83.9 | -86.6 | 0 | 0 | 110.5 | ||||
| 575 | H | 31.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -151.9 | 141.3 | 161.1 | -107.2 | 43.2 | 0 | 0 | 0 | 106.2 | ||||
| 576 | H | 31.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | cis | -146.6 | 133.7 | 3 | -159.8 | 77.3 | 0 | 0 | 0 | 108.6 | ||||
| 577 | Q | 27.8 | Very low | 29.8 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -121.4 | 88.4 | 170.6 | -173.7 | -175.1 | 23.3 | 0 | 0 | 108 | ||||
| 578 | H | 30.4 | Very low | 29.9 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -171.7 | 131.9 | 147.6 | -116.6 | -92.5 | 0 | 0 | 0 | 111.4 | ||||
| 579 | L | 26.6 | Very low | 29.9 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 45.6 | 115.8 | 138.6 | -155.6 | 76 | 0 | 0 | 0 | 120.2 | ||||
| 580 | L | 28 | Very low | 29.9 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | -169.2 | 124.3 | 119.3 | -98.7 | 172.3 | 0 | 0 | 0 | 112.1 | |||||
| 581 | L | 27.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 38.4 | 114.4 | 153.2 | -92 | 79.8 | 0 | 0 | 0 | 123.6 | ||||
| 582 | T | 26.9 | Very low | 29.9 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 76.8 | 148.1 | 125 | 54.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 583 | T | 29.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 67.9 | 90.6 | 152.5 | 41 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 584 | A | 29.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | 51.1 | 125 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 585 | G | 30.6 | Very low | 30.4 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 131.3 | 111.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 586 | Q | 33.3 | Very low | 30.4 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 50.2 | 123.6 | 142.5 | -62.1 | -175.6 | -19.9 | 0 | 0 | 122.4 | ||||
| 587 | N | 30.8 | Very low | 30.6 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 48.3 | 120 | 132.9 | -67.3 | -7.2 | 0 | 0 | 0 | 123 | ||||
| 588 | Q | 32.9 | Very low | 31.4 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 85.5 | 128 | 128.9 | -78 | -166.2 | 24.5 | 0 | 0 | 123 | |||||
| 589 | N | 33 | Very low | 32.1 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | 90.7 | 126.7 | 140.3 | -57.3 | -17.5 | 0 | 0 | 0 | 123.1 | ||||
| 590 | S | 31.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 69 | 108.6 | 143.1 | 53.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 591 | L | 30.8 | Very low | 32.8 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | 77 | 131.3 | 122 | -66.8 | 168 | 0 | 0 | 0 | 124.3 | |||||
| 592 | S | 31.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 85.5 | 119.8 | 139.3 | 43.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 593 | S | 32 | Very low | 33.4 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 85.7 | 107.3 | 125.5 | 66.7 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 594 | T | 31.7 | Very low | 33.7 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 78.5 | 119.2 | 122.5 | 57.9 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 595 | L | 31.2 | Very low | 34 | Very low | 160 Ų | 160 | 123.3 Ų | 123.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | 94.7 | 134.6 | 128.4 | -106.5 | 73.5 | 0 | 0 | 0 | 125.9 | |||||
| 596 | S | 31.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 98.8 | 159.2 | 148.1 | 74.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 597 | T | 35.7 | Very low | 34.4 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -143.5 | -167.3 | -155.5 | 60.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 598 | P | 45 | Very low | 34.5 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | cis | -127.6 | -121 | -5 | 31.2 | -3.7 | 0 | 0 | 0 | 112.1 | ||||
| 599 | P | 44.5 | Very low | 34.6 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | cis | -139.6 | 169.1 | -34.8 | 37.4 | -17 | 0 | 0 | 0 | 119.6 | ||||
| 600 | S | 34.8 | Very low | 34.5 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 84 | 142.8 | 139.7 | 70.9 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 601 | S | 35.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 82 | 166.9 | 170.4 | 83.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 602 | S | 35.9 | Very low | 35.3 | Very low | 110 Ų | 110 | 115 Ų | 115 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | cis | -168.4 | -178.7 | -40.4 | 67.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 603 | C | 30.2 | Very low | 35.3 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | cis | -165 | -175.2 | -2.7 | -149.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 604 | L | 35.1 | Very low | 35.5 | Very low | 166 Ų | 166 | 118 Ų | 118 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | 78.9 | -167.2 | 157.3 | -68.1 | 174.3 | 0 | 0 | 0 | 123.5 | ||||
| 605 | S | 35.6 | Very low | 35.7 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -140.7 | -159.1 | -150.6 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 606 | S | 36 | Very low | 36 | Very low | 103 Ų | 103 | 115.2 Ų | 115.2 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -177.5 | 170.8 | 8 | 18.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 607 | S | 36.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | -176.4 | 171.8 | -22.2 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 608 | T | 33.9 | Very low | 35.8 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | trans | 67.9 | 157.7 | 160.5 | 29.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 609 | S | 35.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 119 Ų | 119 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | cis | -156.6 | -166.6 | 0.7 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 610 | A | 30.7 | Very low | 34.7 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -156 | -168.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 611 | P | 43.2 | Very low | 34.5 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -150.4 | -146 | 11.5 | 44.2 | -19.1 | 0 | 0 | 0 | 117.3 | ||||
| 612 | T | 35.1 | Very low | 34.2 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 93.9 | 109 | 148.2 | 25.5 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 613 | S | 32.4 | Very low | 33.8 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 55.7 | 133.5 | 128.3 | 63.6 | 0 | 0 | 0 | 0 | 127 | |||||
| 614 | I | 34.7 | Very low | 33.7 | Very low | 167 Ų | 167 | 126 Ų | 126 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | 175.9 | 156 | 122.3 | -91.6 | 159.9 | 0 | 0 | 0 | 112 | |||||
| 615 | P | 37.2 | Very low | 33.3 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -131.1 | 161.9 | -166.4 | 41.9 | -26.6 | 0 | 0 | 0 | 120.3 | ||||
| 616 | S | 37.5 | Very low | 32.8 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -161.6 | 151.1 | 160 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 617 | I | 30.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | cis | 104.1 | 136.2 | -6.1 | -43.5 | 162.6 | 0 | 0 | 0 | 116.7 | ||||
| 618 | I | 33 | Very low | 32 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | 79.9 | 133.3 | 174 | -39.4 | 177.1 | 0 | 0 | 0 | 117.3 | ||||
| 619 | P | 35.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | cis | -130.7 | -171.9 | -43 | 38.1 | -20 | 0 | 0 | 0 | 114.6 | ||||
| 620 | A | 30 | Very low | 31.2 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -86.6 | 169 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 621 | L | 32.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | -146.7 | 149.4 | 139.7 | -115.1 | 164.3 | 0 | 0 | 0 | 110.3 | ||||
| 622 | N | 27.3 | Very low | 30.2 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -96.3 | 151.6 | -167.2 | -59.3 | -41 | 0 | 0 | 0 | 112.5 | ||||
| 623 | N | 29.1 | Very low | 29.9 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | -157.1 | 144.6 | 111.7 | -114 | -22.5 | 0 | 0 | 0 | 113.3 | |||||
| 624 | T | 26.8 | Very low | 29.5 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -107.4 | 128.3 | -174.2 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 625 | S | 28.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -139.3 | 124.3 | 151.3 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 626 | S | 24.7 | Very low | 28.6 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -93.9 | 97.3 | -177.8 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 627 | L | 26.6 | Very low | 28.1 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -117.5 | 123.9 | 167.8 | -141.6 | 76.3 | 0 | 0 | 0 | 109.1 | Q629 | L627-Q629 PolarHBondContact O-N 3.27Š| ||
| 628 | H | 27.2 | Very low | 27.9 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -78.1 | 64.6 | 177 | -109.2 | -58.9 | 0 | 0 | 0 | 110.9 | Y630 | H628-Y630 VanDerWaalsContact C-N 3.33Å; H628-Y630 PolarHBondContact O-N 2.82Å | ||
| 629 | Q | 25.5 | Very low | 27.6 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | trans | -72.8 | 85.9 | 175.6 | -173 | 176.1 | -5.6 | 0 | 0 | 109.6 | L627 N631 | L627-Q629 PolarHBondContact O-N 3.27Å; Q629-N631 WeakPolarHBondContact CG-OD1 3.34Å; Q629-N631 PolarHBondContact NE2-OD1 2.83Å; Q629-N631 PolarHBondContact O-N 3.45Å | ||
| 630 | Y | 27.5 | Very low | 27.2 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -68.6 | 85.2 | 164.6 | -115.2 | -77.5 | 0 | 0 | 0 | 108.5 | H628 Q632 | H628-Y630 VanDerWaalsContact C-N 3.33Å; H628-Y630 PolarHBondContact O-N 2.82Å; Y630-Q632 PolarHBondContact O-N 3.41Å | ||
| 631 | N | 28.6 | Very low | 27 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | trans | -59.4 | 137.2 | -178.6 | -90.4 | -43.5 | 0 | 0 | 0 | 111.2 | Q629 L633 | Q629-N631 WeakPolarHBondContact CG-OD1 3.34Å; Q629-N631 PolarHBondContact NE2-OD1 2.83Å; Q629-N631 PolarHBondContact O-N 3.45Å; N631-L633 PolarHBondContact O-N 3.34Å | ||
| 632 | Q | 26 | Very low | 26.7 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 58% | 0.575 | 74% | 0.74 | S | S | * | * | trans | -66 | 96.4 | 173.7 | -57.7 | -172.9 | -62.9 | 0 | 0 | 109.3 | E247 Y630 K634 | E247-Q632 PolarHBondContact OE2-NE2 2.7Å; Y630-Q632 PolarHBondContact O-N 3.41Å; Q632-K634 PolarHBondContact O-N 2.93Å | ||
| 633 | L | 26.9 | Very low | 26.7 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -78.9 | 99.2 | 169.1 | -85.7 | 168.9 | 0 | 0 | 0 | 108.6 | N631 L635 | N631-L633 PolarHBondContact O-N 3.34Å; L633-L635 PolarHBondContact O-N 3.46Å | ||
| 634 | K | 25.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -40.9 | 121 | 172.2 | -66.1 | 177.3 | 173.1 | -177.2 | 0 | 111.3 | Q632 S636 | Q632-K634 PolarHBondContact O-N 2.93Å; K634-S636 PolarHBondContact O-N 3.39Å | ||
| 635 | L | 27.2 | Very low | 26.7 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | -89.5 | 52.9 | 152.1 | -93.4 | 79.9 | 0 | 0 | 0 | 110.1 | L633 N637 | L633-L635 PolarHBondContact O-N 3.46Å; L635-N637 PolarHBondContact O-N 2.93Å | ||
| 636 | S | 24.9 | Very low | 26.8 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 51% | 0.51 | 74% | 0.736 | S | S | . | * | trans | -74.3 | 72.3 | 158.1 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | K634 | K634-S636 PolarHBondContact O-N 3.39Š| ||
| 637 | N | 27.4 | Very low | 27.1 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -148.8 | 73 | 173.1 | -125.2 | 30.1 | 0 | 0 | 0 | 108.9 | L635 N639 | L635-N637 PolarHBondContact O-N 2.93Å; N637-N639 PolarHBondContact O-N 3.22Å | ||
| 638 | G | 25.9 | Very low | 27.2 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -71.4 | 93.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | H640 | G638-H640 PolarHBondContact O-N 3.44Š| ||
| 639 | N | 26.6 | Very low | 27.4 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | trans | -72.2 | 98.5 | 163.9 | -84.9 | 17.8 | 0 | 0 | 0 | 108.2 | N637 Y641 | N637-N639 PolarHBondContact O-N 3.22Å; N639-Y641 PolarHBondContact O-N 2.89Å | ||
| 640 | H | 26.9 | Very low | 27.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | -53.3 | 126.2 | 162.7 | -75.3 | -79.9 | 0 | 0 | 0 | 109.8 | G638 T642 | G638-H640 PolarHBondContact O-N 3.44Å; H640-T642 HydrophobicContact CB-CG2 4.1Å; H640-T642 WeakPolarHBondContact CB-OG1 3.19Å; H640-T642 PolarHBondContact O-N 2.9Å | ||
| 641 | Y | 25.4 | Very low | 27.9 | Very low | 216 Ų | 216 | 134.3 Ų | 134.3 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -92.4 | 58.4 | 149.2 | -88 | -77.4 | 0 | 0 | 0 | 109.1 | N639 | N639-Y641 PolarHBondContact O-N 2.89Š| ||
| 642 | T | 26.1 | Very low | 28.1 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 52% | 0.521 | 73% | 0.727 | S | S | . | * | trans | -85.2 | 98.5 | 157 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | H640 D644 | H640-T642 HydrophobicContact CB-CG2 4.1Å; H640-T642 WeakPolarHBondContact CB-OG1 3.19Å; H640-T642 PolarHBondContact O-N 2.9Å; T642-D644 PolarHBondContact O-N 3.44Å | ||
| 643 | T | 27.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -78.3 | 66 | 176.4 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | I645 | T643-I645 PolarHBondContact O-N 3.33Š| ||
| 644 | D | 25.3 | Very low | 28.4 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -79.9 | 105.7 | 165.3 | -79.5 | -48 | 0 | 0 | 0 | 109.1 | T642 | T642-D644 PolarHBondContact O-N 3.44Š| ||
| 645 | I | 31 | Very low | 28.4 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | trans | -133 | 108 | 163.1 | -61.1 | -178.4 | 0 | 0 | 0 | 107.3 | T643 | T643-I645 PolarHBondContact O-N 3.33Š| ||
| 646 | H | 29.6 | Very low | 28.6 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 29.1 | 138.8 | 146.2 | -72.3 | -72.5 | 0 | 0 | 0 | 120.2 | ||||
| 647 | S | 30.8 | Very low | 28.8 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | cis | -171.6 | 171.4 | 15.2 | -126.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 648 | N | 29.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 48.6 | 132.2 | 146.1 | -61.7 | -0.6 | 0 | 0 | 0 | 119 | ||||
| 649 | N | 31.9 | Very low | 29.3 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | cis | -172 | 153.5 | 32.6 | -121 | -8.5 | 0 | 0 | 0 | 112.6 | ||||
| 650 | N | 33.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 51.4 | 123.8 | 144.4 | -59.1 | -20.9 | 0 | 0 | 0 | 122.8 | ||||
| 651 | N | 30 | Very low | 29.6 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 148.6 | 166.1 | -62 | -49.3 | 0 | 0 | 0 | 113.5 | ||||
| 652 | S | 32.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -154.9 | 138.2 | 143.7 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 653 | N | 28.3 | Very low | 29.8 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -85.2 | 138.9 | -167.1 | -55.3 | -46.8 | 0 | 0 | 0 | 114 | ||||
| 654 | K | 30.6 | Very low | 30 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | 176 | 127.8 | 133.3 | -97.2 | 162.9 | -179.2 | -177.1 | 0 | 109 | ||||
| 655 | M | 25.6 | Very low | 30.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | 54.3 | 107.1 | 70.7 | -86.3 | -172.8 | 154.5 | 0 | 0 | 114.9 | |||||
| 656 | V | 31.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | -176.1 | 162.9 | 120 | 147 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 657 | H | 29.1 | Very low | 30.2 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -85.6 | 173.5 | -169.4 | -114.4 | -127.9 | 0 | 0 | 0 | 115.1 | ||||
| 658 | P | 35.9 | Very low | 30 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 61% | 0.61 | 79% | 0.79 | S | S | * | * | trans | -103.4 | -175 | -169.9 | 41.9 | -36.6 | 0 | 0 | 0 | 115.2 | ||||
| 659 | N | 28.3 | Very low | 30 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 64.3 | 102.4 | 160.4 | -65.9 | -4.8 | 0 | 0 | 0 | 119.5 | ||||
| 660 | V | 32.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 145 Ų | 145 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -140.5 | 144.3 | 144.6 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 661 | V | 28 | Very low | 29.5 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -104.7 | 137.8 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110 | L663 | V661-L663 HydrophobicContact CG1-CD1 4.42Š| ||
| 662 | S | 30.9 | Very low | 29.5 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -146.4 | 132.9 | 159.1 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 663 | L | 24.7 | Very low | 29.3 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -77 | 157.1 | 170 | -69.4 | 68.1 | 0 | 0 | 0 | 109.4 | V661 | V661-L663 HydrophobicContact CG1-CD1 4.42Š| ||
| 664 | L | 30.1 | Very low | 29.5 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | -172.6 | 137.1 | 120.3 | -119.2 | 63.2 | 0 | 0 | 0 | 112.5 | |||||
| 665 | Q | 31.4 | Very low | 29.4 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 42.3 | 114.6 | 143 | -68.9 | 158.8 | -13 | 0 | 0 | 119.8 | ||||
| 666 | T | 27.4 | Very low | 29.7 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | 63.4 | 148.7 | 67.8 | 68.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 667 | P | 33.2 | Very low | 29.7 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -133.6 | -167.7 | 2.7 | 41.7 | -23.3 | 0 | 0 | 0 | 115.1 | ||||
| 668 | T | 26 | Very low | 29.6 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -82.3 | 151.1 | 170 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 669 | I | 30.1 | Very low | 29.3 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -169.4 | 112.1 | 152.5 | -98.9 | 147.3 | 0 | 0 | 0 | 106.2 | ||||
| 670 | M | 25.7 | Very low | 29.3 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | 35.3 | 116.5 | 105 | -68.3 | -171.3 | -67.6 | 0 | 0 | 115.3 | |||||
| 671 | D | 27.3 | Very low | 29.2 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | 178.5 | 175.7 | 97.8 | -123.5 | -43.4 | 0 | 0 | 0 | 114.8 | |||||
| 672 | M | 30.8 | Very low | 29.1 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 65.8 | 92.9 | 159.9 | -64.3 | -135.5 | -81.9 | 0 | 0 | 120.3 | ||||
| 673 | H | 27.8 | Very low | 29.1 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | 11.2 | 129.6 | 122.3 | -90.7 | -110.6 | 0 | 0 | 0 | 118.6 | |||||
| 674 | N | 33.1 | Very low | 29.3 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -148.6 | 105.8 | 131.9 | -118.5 | -38.9 | 0 | 0 | 0 | 111 | ||||
| 675 | N | 28.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 57% | 0.572 | 78% | 0.778 | S | S | * | * | trans | -104.6 | 98.7 | 179.7 | 178.7 | 29.1 | 0 | 0 | 0 | 109.9 | N677 | N675-N677 PolarHBondContact ND2-OD1 2.92Å; N675-N677 PolarHBondContact O-N 3.38Å | ||
| 676 | Y | 32.3 | Very low | 29 | Very low | 220 Ų | 220 | 139 Ų | 139 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | trans | -84.1 | 89.6 | 173.6 | -105.8 | -82.5 | 0 | 0 | 0 | 111 | ||||
| 677 | N | 30.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 57% | 0.572 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 152.1 | 173 | -79.2 | -34.4 | 0 | 0 | 0 | 112.7 | N675 | N675-N677 PolarHBondContact ND2-OD1 2.92Å; N675-N677 PolarHBondContact O-N 3.38Å | ||
| 678 | H | 27.9 | Very low | 28.7 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 47.5 | 118.8 | 147.4 | -78 | -115.4 | 0 | 0 | 0 | 119.9 | ||||
| 679 | L | 29.6 | Very low | 28.7 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | -165 | 116.4 | 110.8 | -122.9 | 75.3 | 0 | 0 | 0 | 112.6 | |||||
| 680 | T | 27.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | 42.3 | 135.8 | 130 | 60.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 681 | G | 30 | Very low | 28.5 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 125.4 | 85.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 682 | A | 26.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | 72.1 | 71.3 | 43.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 683 | L | 29.8 | Very low | 28.2 | Very low | 173 Ų | 173 | 146 Ų | 146 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -179 | 137.4 | 158.8 | -98.3 | 163.1 | 0 | 0 | 0 | 106.7 | ||||
| 684 | S | 30.7 | Very low | 28.3 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | cis | -142.6 | 155.1 | -7 | -175.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 685 | Q | 27 | Very low | 28 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -83 | 171 | 165.8 | -67.1 | 166.4 | -41.4 | 0 | 0 | 111.1 | ||||
| 686 | G | 27.6 | Very low | 28.3 | Very low | 63 Ų | 63 | 148.5 Ų | 148.5 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 113 | 123.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 687 | Y | 29.3 | Very low | 28 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | cis | -133.9 | 133 | 8.4 | -81.7 | -100.8 | 0 | 0 | 0 | 112.2 | ||||
| 688 | S | 25.1 | Very low | 27.7 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -92.8 | 171.2 | 144.9 | -68.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 689 | E | 26.2 | Very low | 27.7 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | 63 | 91.7 | 170.9 | -56.5 | -168.8 | 155.3 | 0 | 0 | 117.1 | ||||
| 690 | M | 26.3 | Very low | 27.4 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | -131.9 | 115.5 | 118.8 | -75.5 | -154.5 | 81.4 | 0 | 0 | 109.8 | |||||
| 691 | L | 24.7 | Very low | 27.3 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 129.2 | 155.3 | -87.3 | 69.3 | 0 | 0 | 0 | 107.9 | ||||
| 692 | T | 26.7 | Very low | 27.1 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -162.1 | 149.1 | 141.2 | 2.7 | 0 | 0 | 0 | 0 | 110.5 | H694 | T692-H694 PolarHBondContact O-N 3.34Š| ||
| 693 | H | 25.1 | Very low | 27.1 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -57.5 | 135.2 | 178.8 | -70.5 | -109.3 | 0 | 0 | 0 | 112 | ||||
| 694 | H | 30.3 | Very low | 26.9 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | -161.9 | 112.4 | 126.7 | -104.2 | -63.6 | 0 | 0 | 0 | 112 | T692 | T692-H694 PolarHBondContact O-N 3.34Š| |||
| 695 | Q | 26.8 | Very low | 26.7 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 147.4 | 153.7 | -67.7 | 173.2 | -51.3 | 0 | 0 | 109.1 | ||||
| 696 | P | 33.8 | Very low | 26.8 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -108.1 | 138.5 | 135.4 | 32.1 | -28 | 0 | 0 | 0 | 110 | ||||
| 697 | A | 26.9 | Very low | 26.7 | Very low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 154.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 698 | G | 24.5 | Very low | 26.7 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -70.8 | 172.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 699 | T | 26.8 | Very low | 27 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -123.2 | 108.8 | 155.3 | -62.2 | 0 | 0 | 0 | 0 | 107.3 | C701 | T699-C701 PolarHBondContact O-N 2.84Š| ||
| 700 | I | 24 | Very low | 27.6 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -82.2 | 103.5 | 172.1 | -61.6 | 172.4 | 0 | 0 | 0 | 106.9 | A702 | I700-A702 PolarHBondContact O-N 2.94Š| ||
| 701 | C | 24.7 | Very low | 28 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -78 | 103.1 | 172.1 | -72.8 | 0 | 0 | 0 | 0 | 109.6 | T699 | T699-C701 PolarHBondContact O-N 2.84Š| ||
| 702 | A | 26.4 | Very low | 28.4 | Very low | 59 Ų | 59 | 127.9 Ų | 127.9 | 49% | 0.488 | 74% | 0.742 | S | S | . | * | trans | -65.7 | 149.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I700 Y704 | I700-A702 PolarHBondContact O-N 2.94Å; A702-Y704 WeakPolarHBondContact O-CD2 3.32Å; A702-Y704 PolarHBondContact O-N 3.37Å | ||
| 703 | P | 26.8 | Very low | 29 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 84% | 0.844 | 73% | 0.728 | S | S | * | * | trans | -70.2 | 112.3 | 172.9 | 28.9 | -33.3 | 0 | 0 | 0 | 110.3 | S705 | P703-S705 PolarHBondContact O-N 3.49Š| ||
| 704 | Y | 26.1 | Very low | 29.5 | Very low | 214 Ų | 214 | 118.7 Ų | 118.7 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -80.8 | 113.4 | 176.8 | -80.1 | -87.7 | 0 | 0 | 0 | 111.3 | A702 T706 | A702-Y704 WeakPolarHBondContact O-CD2 3.32Å; A702-Y704 PolarHBondContact O-N 3.37Å; Y704-T706 PolarHBondContact O-N 2.87Å | ||
| 705 | S | 24.8 | Very low | 29.8 | Very low | 91 Ų | 91 | 115.9 Ų | 115.9 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | trans | 1.1 | 103.6 | 165.5 | 174.8 | 0 | 0 | 0 | 0 | 116.9 | P703 N707 | P703-S705 PolarHBondContact O-N 3.49Å; S705-N707 VanDerWaalsContact OG-CG 3.3Å; S705-N707 PolarHBondContact OG-OD1 3.33Å | ||
| 706 | T | 29.1 | Very low | 30.2 | Very low | 96 Ų | 96 | 110 Ų | 110 | 59% | 0.589 | 68% | 0.677 | S | S | * | * | trans | -95.2 | 74.2 | 164.6 | 44.4 | 0 | 0 | 0 | 0 | 110.6 | Y704 G708 | Y704-T706 PolarHBondContact O-N 2.87Å; T706-G708 PolarHBondContact O-N 2.86Å | ||
| 707 | N | 26.4 | Very low | 30.5 | Very low | 154 Ų | 154 | 108.4 Ų | 108.4 | 82% | 0.824 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 92.5 | 172.7 | -70.7 | -4.4 | 0 | 0 | 0 | 110.2 | S705 | S705-N707 VanDerWaalsContact OG-CG 3.3Å; S705-N707 PolarHBondContact OG-OD1 3.33Å |
| 708 | G | 29.6 | Very low | 30.9 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.6 | 3.2 | 176 | 0 | 0 | 0 | 0 | 0 | 117.5 | T706 | T706-G708 PolarHBondContact O-N 2.86Š|
| 709 | I | 30.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 55% | 0.549 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -123.2 | 129.7 | 179.2 | -55.4 | 177.3 | 0 | 0 | 0 | 109.2 | Q711 L714 | I709-Q711 PolarHBondContact O-N 3.39Å; I709-L714 HydrophobicContact CG2-CD1 4.06Å |
| 710 | D | 39 | Very low | 32 | Very low | 95 Ų | 95 | 110.3 Ų | 110.3 | 51% | 0.508 | 63% | 0.627 | S | S | . | * | trans | -59.3 | 130.4 | 174.8 | -67.8 | -39.2 | 0 | 0 | 0 | 110.5 | K51 D712 | K51-D710 VanDerWaalsContact CE-OD2 3.24Å; K51-D710 WeakPolarHBondContact CE-OD2 3.46Å; K51-D710 IonicContact NZ-OD1 2.75Å; K51-D710 IonicContact NZ-OD2 2.67Å; K51-D710 PolarHBondContact NZ-OD2 3.05Å; D710-D712 VanDerWaalsContact C-N 3.3Å; D710-D712 PolarHBondContact O-N 2.97Å | ||
| 711 | Q | 33.9 | Very low | 32.6 | Very low | 158 Ų | 158 | 110 Ų | 110 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -71.9 | -24.1 | -170.3 | -66.9 | -173 | -22.2 | 0 | 0 | 113.5 | I709 G713 L714 | I709-Q711 PolarHBondContact O-N 3.39Å; Q711-G713 VanDerWaalsContact C-N 3.26Å; Q711-G713 PolarHBondContact O-N 2.93Å; Q711-L714 PolarHBondContact O-N 3.4Å |
| 712 | D | 34.2 | Very low | 32.9 | Very low | 138 Ų | 138 | 112.3 Ų | 112.3 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -63.5 | -29.5 | -170.4 | -49.7 | -50.9 | 0 | 0 | 0 | 113.3 | D710 | D710-D712 VanDerWaalsContact C-N 3.3Å; D710-D712 PolarHBondContact O-N 2.97Å |
| 713 | G | 38.9 | Very low | 33.2 | Very low | 46 Ų | 46 | 112.9 Ų | 112.9 | 47% | 0.474 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -78.3 | -23.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q711 F717 | Q711-G713 VanDerWaalsContact C-N 3.26Å; Q711-G713 PolarHBondContact O-N 2.93Å; G713-F717 WeakPolarHBondContact O-CD2 3.29Å |
| 714 | L | 35.4 | Very low | 33.5 | Very low | 65 Ų | 65 | 112.4 Ų | 112.4 | 34% | 0.34 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | -26.1 | -170 | -87.1 | 160.3 | 0 | 0 | 0 | 113.9 | I709 Q711 A716 F717 Q718 | I709-L714 HydrophobicContact CG2-CD1 4.06Å; Q711-L714 PolarHBondContact O-N 3.4Å; L714-A716 PolarHBondContact O-N 3.37Å; L714-F717 PolarHBondContact O-N 2.91Å; L714-Q718 PolarHBondContact O-N 3.5Å |
| 715 | L | 36.7 | Very low | 33.8 | Very low | 125 Ų | 125 | 108.5 Ų | 108.5 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -57.6 | -33.7 | 177.2 | -92.8 | 145.6 | 0 | 0 | 0 | 113.1 | ||
| 716 | A | 36.5 | Very low | 34 | Very low | 56 Ų | 56 | 111.4 Ų | 111.4 | 46% | 0.463 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.3 | -28.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L714 | L714-A716 PolarHBondContact O-N 3.37Å |
| 717 | F | 39.5 | Very low | 33.9 | Very low | 89 Ų | 89 | 109.9 Ų | 109.9 | 39% | 0.39 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -86.6 | -31.7 | -178.3 | -75.8 | -77.1 | 0 | 0 | 0 | 113.6 | F123 V172 G713 L714 L719 L720 | F123-F717 HydrophobicContact CE1-CE1 4.49Å; F123-F717 HydrophobicContact CZ-CE1 4.04Å; F123-F717 HydrophobicContact CZ-CZ 4.5Å; V172-F717 HydrophobicContact CG1-CE1 4.23Å; G713-F717 WeakPolarHBondContact O-CD2 3.29Å; L714-F717 PolarHBondContact O-N 2.91Å; F717-L719 VanDerWaalsContact C-N 3.26Å; F717-L719 PolarHBondContact O-N 3.37Å; F717-L720 PolarHBondContact O-N 2.92Å |
| 718 | Q | 35.6 | Very low | 33.9 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.9 | -26.8 | 178.3 | -92.7 | 176.5 | -98.4 | 0 | 0 | 113.6 | L714 L720 Q721 | L714-Q718 PolarHBondContact O-N 3.5Å; Q718-L720 VanDerWaalsContact C-N 3.29Å; Q718-L720 PolarHBondContact O-N 3.19Å; Q718-Q721 PolarHBondContact O-N 3.38Å |
| 719 | L | 36.9 | Very low | 33.8 | Very low | 144 Ų | 144 | 110.8 Ų | 110.8 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -68.6 | -24.8 | 176.1 | -68.9 | 170.2 | 0 | 0 | 0 | 113.2 | F717 Q721 | F717-L719 VanDerWaalsContact C-N 3.26Å; F717-L719 PolarHBondContact O-N 3.37Å; L719-Q721 VanDerWaalsContact C-N 3.26Å; L719-Q721 PolarHBondContact O-N 2.87Å |
| 720 | L | 38.1 | Very low | 33.8 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 41% | 0.408 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -74.6 | -9.6 | 179.2 | -83.5 | 161.9 | 0 | 0 | 0 | 114.2 | F85 F123 F717 Q718 | F85-L720 HydrophobicContact CE1-CD1 4.3Å; F85-L720 HydrophobicContact CE1-CD2 4.31Å; F85-L720 HydrophobicContact CE1-CG 4.27Å; F85-L720 HydrophobicContact CZ-CD1 4.27Å; F123-L720 HydrophobicContact CE1-CD1 4.2Å; F717-L720 PolarHBondContact O-N 2.92Å; Q718-L720 VanDerWaalsContact C-N 3.29Å; Q718-L720 PolarHBondContact O-N 3.19Å |
| 721 | Q | 35.2 | Very low | 33.1 | Very low | 161 Ų | 161 | 117 Ų | 117 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -100.1 | 0.5 | -178.1 | -64.8 | -169.9 | -16.5 | 0 | 0 | 114.3 | Q718 L719 | Q718-Q721 PolarHBondContact O-N 3.38Å; L719-Q721 VanDerWaalsContact C-N 3.26Å; L719-Q721 PolarHBondContact O-N 2.87Å |
| 722 | H | 31.7 | Very low | 32.8 | Very low | 161 Ų | 161 | 112.8 Ų | 112.8 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | trans | -124 | 78.7 | -174.9 | -67.6 | -59.1 | 0 | 0 | 0 | 113 | ||||
| 723 | G | 31.7 | Very low | 32.6 | Very low | 71 Ų | 71 | 114.6 Ų | 114.6 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | trans | -139.8 | 111.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 724 | P | 33.4 | Very low | 32 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -87.8 | 141.8 | -169.9 | 32.8 | -34.9 | 0 | 0 | 0 | 115.3 | ||||
| 725 | T | 32.3 | Very low | 31.5 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | trans | 15.1 | 115.9 | 149.1 | 54.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 726 | V | 29.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | trans | 1.2 | 129 | 139.3 | -173.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 727 | G | 26.5 | Very low | 30.6 | Very low | 64 Ų | 64 | 126.9 Ų | 126.9 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | 167.1 | 95.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 728 | S | 27.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 50.9 | 134.5 | 148.9 | 59.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 729 | N | 27.3 | Very low | 29.7 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 55.8 | 102.5 | 142.9 | -55.9 | -6.3 | 0 | 0 | 0 | 119.7 | ||||
| 730 | F | 28.9 | Very low | 29.3 | Very low | 204 Ų | 204 | 132 Ų | 132 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | -160.5 | 75.9 | 126.3 | -106.7 | -64.6 | 0 | 0 | 0 | 111.8 | A732 | F730-A732 PolarHBondContact O-N 3.37Š| |||
| 731 | S | 24.9 | Very low | 28.9 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -81 | 63.5 | 172.2 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 732 | A | 27.5 | Very low | 28.5 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 58% | 0.579 | 79% | 0.791 | S | S | * | * | trans | -157.5 | 81.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F730 | F730-A732 PolarHBondContact O-N 3.37Š| ||
| 733 | L | 30.8 | Very low | 28.4 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 178.3 | 107.5 | 137.2 | -98.6 | 161.7 | 0 | 0 | 0 | 109.9 | ||||
| 734 | N | 25.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -70 | 159 | 164.5 | -74.3 | -30.7 | 0 | 0 | 0 | 110.2 | ||||
| 735 | S | 25.2 | Very low | 28.1 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 52.5 | 96.8 | 162.7 | 58.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 736 | L | 27.8 | Very low | 27.9 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -152.1 | 73.2 | 150.3 | -118.4 | 172.1 | 0 | 0 | 0 | 112.4 | L738 | L736-L738 PolarHBondContact O-N 2.97Š| ||
| 737 | T | 27.5 | Very low | 28 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 110.5 | 164.4 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 738 | L | 27.6 | Very low | 28.4 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -140.5 | 112.4 | 170.1 | -133.7 | 70.2 | 0 | 0 | 0 | 107.9 | L736 | L736-L738 PolarHBondContact O-N 2.97Š| ||
| 739 | A | 28 | Very low | 28.8 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | 73.1 | 123.8 | 49.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 740 | R | 27.8 | Very low | 29.2 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -97.6 | 105.8 | -160 | -177.3 | -169.2 | -165.4 | -178.4 | 6.9 | 112.3 | ||||
| 741 | R | 29.6 | Very low | 29.6 | Very low | 247 Ų | 247 | 133.9 Ų | 133.9 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -156.9 | 150.4 | 162.1 | -93.5 | 171.6 | -174.1 | 172.2 | 0.7 | 108.5 | ||||
| 742 | G | 26.4 | Very low | 30.1 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | cis | 123 | 62.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 743 | L | 29.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -170.3 | 120.6 | 165.6 | -84.5 | 129.3 | 0 | 0 | 0 | 103.3 | ||||
| 744 | S | 28.5 | Very low | 30.6 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | 59.9 | 117.7 | 66.2 | 96.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 745 | D | 31.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | -163 | 146.2 | 64.3 | -80.4 | -7.5 | 0 | 0 | 0 | 114.9 | |||||
| 746 | N | 28.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 49 | 141.2 | 139.9 | -63.5 | -42.5 | 0 | 0 | 0 | 125.3 | ||||
| 747 | S | 31.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 81 | 133.1 | 150.7 | -159.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 748 | S | 34.5 | Very low | 30.9 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | cis | -166.6 | 157.6 | -18.9 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 749 | N | 35.5 | Very low | 31 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 66.3 | 144.1 | 157.8 | -57.2 | -14.8 | 0 | 0 | 0 | 118.1 | ||||
| 750 | N | 37 | Very low | 30.9 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | cis | -161.3 | 149.7 | -7 | -108.2 | -10.7 | 0 | 0 | 0 | 111 | ||||
| 751 | N | 36.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 54.2 | 124 | 145.8 | -54.9 | -9.9 | 0 | 0 | 0 | 119 | ||||
| 752 | N | 35.1 | Very low | 31 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | cis | -154.5 | 170.9 | 26.1 | -90.1 | -29.5 | 0 | 0 | 0 | 113.1 | ||||
| 753 | S | 33.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -106.9 | -167.9 | -175.2 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 754 | P | 35.7 | Very low | 31 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | cis | -123.4 | -178.7 | -16.8 | 29.9 | -8.8 | 0 | 0 | 0 | 112.4 | ||||
| 755 | G | 28.8 | Very low | 31 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | cis | 167.3 | 136.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 756 | V | 26.3 | Very low | 30.9 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -130.5 | 136.6 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 757 | F | 29.9 | Very low | 31.2 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -91.7 | 149.6 | 178.5 | -89.7 | -95.3 | 0 | 0 | 0 | 112.5 | ||||
| 758 | A | 27 | Very low | 31.2 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -83.4 | -171.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 759 | V | 29.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | -169.1 | 136.7 | 79.8 | 149 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 760 | H | 27.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | 37.1 | 129.4 | 159.8 | -54.5 | -31.7 | 0 | 0 | 0 | 124 | ||||
| 761 | P | 28.2 | Very low | 30.7 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -101 | 159.3 | 132.9 | 36.7 | -30.8 | 0 | 0 | 0 | 111.7 | ||||
| 762 | M | 30.6 | Very low | 30.3 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 95% | 0.946 | 80% | 0.801 | S | S | * | * | trans | -123.5 | 144.5 | -179.7 | -158 | 174.3 | -169.5 | 0 | 0 | 111.1 | ||||
| 763 | V | 28.1 | Very low | 30.1 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -131.8 | 131.6 | -173.5 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 764 | T | 28.4 | Very low | 29.9 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -65.7 | 147.4 | 177.9 | -39.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 765 | L | 28.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -136 | 128.5 | -178.8 | -139.4 | 160.7 | 0 | 0 | 0 | 110 | T767 | L765-T767 HydrophobicContact CD2-CG2 4.02Š| ||
| 766 | G | 29.4 | Very low | 29.7 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -127 | 146.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 767 | T | 35.4 | Very low | 30 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -145.7 | 120.1 | 176 | 53 | 0 | 0 | 0 | 0 | 110.1 | L765 | L765-T767 HydrophobicContact CD2-CG2 4.02Š| ||
| 768 | D | 30.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -66.4 | 152.4 | 167.3 | -72.7 | -71.7 | 0 | 0 | 0 | 111.6 | ||||
| 769 | N | 35.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 135 Ų | 135 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -149 | 146.1 | 152.1 | -117 | -38.4 | 0 | 0 | 0 | 110.8 | ||||
| 770 | K | 28.8 | Very low | 30.3 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | -128.5 | 105.3 | -157.7 | 175.5 | -167.4 | 175 | -176.7 | 0 | 112 | ||||
| 771 | V | 31.8 | Very low | 30.2 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -138.7 | 111.5 | 167.2 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 772 | I | 28.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 24 | 117.9 | 140 | -46.2 | 173.1 | 0 | 0 | 0 | 117.3 | ||||
| 773 | G | 30 | Very low | 30 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -160.6 | 8 | -177 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 774 | I | 30.2 | Very low | 30 | Very low | 141 Ų | 141 | 130 Ų | 130 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | 53.8 | 116.7 | 157.5 | -56.1 | 178.1 | 0 | 0 | 0 | 119.8 | ||||
| 775 | N | 29.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 76.8 | 114.7 | 150.6 | -66.7 | -5.4 | 0 | 0 | 0 | 124.2 | ||||
| 776 | L | 30.3 | Very low | 30.4 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 58.2 | 125.8 | 133.3 | -79.2 | 84.1 | 0 | 0 | 0 | 122.7 | ||||
| 777 | P | 33.5 | Very low | 30.5 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -84.7 | -174.1 | 151.5 | 42.3 | -36.8 | 0 | 0 | 0 | 110 | ||||
| 778 | P | 35.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | cis | -139.8 | -150.4 | 12.6 | 35.5 | -10 | 0 | 0 | 0 | 114.3 | ||||
| 779 | T | 30.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 89.2 | 116.8 | 162.3 | 70.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 780 | S | 26 | Very low | 30 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 43 | 155.4 | 133.8 | 61.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 781 | C | 26.4 | Very low | 30.1 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | 77 | 117.4 | 170.3 | -60.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 782 | N | 26 | Very low | 29.9 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | 92.5 | 151.4 | 59.8 | -81.4 | -7.8 | 0 | 0 | 0 | 112.8 | |||||
| 783 | F | 28.2 | Very low | 29.7 | Very low | 192 Ų | 192 | 131 Ų | 131 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | 71.1 | 94.7 | 177.3 | -57.4 | -76.3 | 0 | 0 | 0 | 115.6 | ||||
| 784 | A | 28.4 | Very low | 29.7 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | 77.4 | 135.8 | 80.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 785 | P | 35.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -94 | 157.8 | -164 | 37.4 | -37.6 | 0 | 0 | 0 | 114.9 | ||||
| 786 | Q | 28.3 | Very low | 29.5 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -156.6 | 164.2 | 164.7 | -100 | -55.1 | -25.9 | 0 | 0 | 112.4 | ||||
| 787 | L | 32.1 | Very low | 29.6 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 72.6 | 147.5 | 170.8 | -54 | 172.6 | 0 | 0 | 0 | 118.6 | ||||
| 788 | K | 29 | Very low | 29.4 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | cis | -173.4 | 150.3 | -39.8 | -124.1 | -174.1 | -168 | 173.9 | 0 | 111 | ||||
| 789 | G | 31.9 | Very low | 29.3 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 84.8 | 132.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 790 | N | 30.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | cis | 76.9 | 98.7 | 38.5 | -62.4 | 8.6 | 0 | 0 | 0 | 114.8 | ||||
| 791 | L | 31.1 | Very low | 29.7 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | -169 | 136.6 | 108.6 | -112 | 71.6 | 0 | 0 | 0 | 106.6 | |||||
| 792 | L | 26.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | cis | 78.3 | 130.7 | 49.4 | -107 | 167 | 0 | 0 | 0 | 115.3 | ||||
| 793 | C | 24.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 71.7 | 152 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 794 | S | 28.9 | Very low | 30.8 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | cis | -146.1 | 177 | 2 | -154.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 795 | Q | 29 | Very low | 31 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | -78.6 | 177.4 | -175.8 | -51.5 | 169.6 | -25.8 | 0 | 0 | 115 | ||||
| 796 | N | 27.8 | Very low | 31 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 76.5 | 148.8 | 144.1 | -75.5 | -23.9 | 0 | 0 | 0 | 119.1 | ||||
| 797 | S | 31.9 | Very low | 31.1 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | cis | -167.6 | 153.9 | -10.9 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 798 | N | 29.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 58.6 | 141.4 | 133.4 | -66.7 | -0.7 | 0 | 0 | 0 | 124.2 | ||||
| 799 | N | 33.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | 89 | 115.2 | 136.7 | -72.6 | -2 | 0 | 0 | 0 | 122.6 | ||||
| 800 | N | 31.5 | Very low | 31.3 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | 75.1 | 150.9 | 120.8 | -67.2 | -3.3 | 0 | 0 | 0 | 120.8 | |||||
| 801 | V | 32.2 | Very low | 31.4 | Very low | 109 Ų | 109 | 132 Ų | 132 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | cis | -169 | 176.5 | -26.1 | 99.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 802 | N | 35.7 | Very low | 31.6 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | 81.4 | 151.7 | 174.4 | -56.1 | -48.4 | 0 | 0 | 0 | 117.1 | ||||
| 803 | N | 33.6 | Very low | 32 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | cis | -166.8 | 159.4 | -31.1 | -105.6 | -16.4 | 0 | 0 | 0 | 110.5 | ||||
| 804 | G | 35.6 | Very low | 32.4 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | trans | 120.6 | 98.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 805 | I | 32.9 | Very low | 32.5 | Very low | 153 Ų | 153 | 128 Ų | 128 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | 67.3 | 118.8 | 60.7 | -52.4 | 169.1 | 0 | 0 | 0 | 109.7 | |||||
| 806 | M | 34.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | cis | -145.7 | 166.6 | 40.2 | -147.8 | 171 | -65.8 | 0 | 0 | 115.8 | ||||
| 807 | N | 30.8 | Very low | 33.1 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | -49.8 | 166.3 | 179.7 | -57.4 | -26.4 | 0 | 0 | 0 | 116 | ||||
| 808 | T | 35.3 | Very low | 33.4 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | cis | -147.1 | 137 | 35.7 | 52.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 809 | T | 32.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | 2.9 | 145.2 | 141.2 | 58.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 810 | F | 29.9 | Very low | 35.3 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | cis | -151 | 134.8 | 48.6 | -118.1 | -94.4 | 0 | 0 | 0 | 114.7 | ||||
| 811 | V | 33.3 | Very low | 36.5 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 45 | 117.4 | 145.8 | 179.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 812 | A | 33.5 | Very low | 38.1 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -100.4 | 171.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 813 | P | 36.7 | Very low | 38.7 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | -158.1 | -174.4 | 62.5 | 42.2 | -19.4 | 0 | 0 | 0 | 118.3 | |||||
| 814 | H | 31.3 | Very low | 39 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 113.4 | 152.8 | -61.4 | -45.7 | 0 | 0 | 0 | 122.9 | ||||
| 815 | S | 30.9 | Very low | 39.4 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 43.2 | 114.3 | 135.1 | 62.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 816 | S | 35.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -112.5 | 132.2 | 149.6 | 43.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 817 | L | 35.6 | Very low | 40.3 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | cis | 66.7 | 131.2 | 23.1 | -85 | 167.4 | 0 | 0 | 0 | 115.3 | ||||
| 818 | L | 37.5 | Very low | 41.6 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 151.8 | -171.2 | -72.4 | 83 | 0 | 0 | 0 | 112.3 | ||
| 819 | P | 57.9 | Low | 42 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.3 | 170.5 | 29.9 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 820 | P | 44.1 | Very low | 42.3 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 160.9 | 176.2 | 34.9 | -35.7 | 0 | 0 | 0 | 112.8 | ||
| 821 | P | 56.5 | Low | 43.4 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 155.4 | 169.3 | 32.6 | -35.1 | 0 | 0 | 0 | 112.4 | ||
| 822 | P | 67 | Low | 43.6 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 154.9 | 177.7 | 32.2 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 823 | P | 48.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 149.7 | -166.9 | 36.8 | -36.7 | 0 | 0 | 0 | 116.8 | ||
| 824 | D | 39.1 | Very low | 43.5 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | 42.9 | 123.9 | 142.6 | -54.9 | -24 | 0 | 0 | 0 | 123.1 | ||||
| 825 | Q | 44.7 | Very low | 43.6 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -131.8 | 148.6 | 137.1 | -97 | -167.3 | -14.4 | 0 | 0 | 110.4 | ||||
| 826 | P | 42.2 | Very low | 43.8 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 150.8 | -161.8 | 33.8 | -36.9 | 0 | 0 | 0 | 115.2 | ||
| 827 | L | 43.6 | Very low | 43.6 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 140.4 | 170.8 | -74.1 | 165.9 | 0 | 0 | 0 | 112 | ||
| 828 | P | 57.6 | Low | 43.6 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 158.5 | 165.2 | 32.7 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 829 | P | 44.1 | Very low | 43.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 153 | -165.3 | 32.5 | -36.9 | 0 | 0 | 0 | 115.6 | ||
| 830 | L | 39.7 | Very low | 42.4 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 138.1 | 169.3 | -80.1 | 159.1 | 0 | 0 | 0 | 111.9 | ||
| 831 | P | 51.1 | Low | 42 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75 | 157.4 | 162.8 | -14.8 | 31 | 0 | 0 | 0 | 112.7 | ||
| 832 | N | 38.1 | Very low | 40.9 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 160.9 | -174.6 | -83.5 | -26.2 | 0 | 0 | 0 | 115.2 | ||
| 833 | L | 30.3 | Very low | 39.2 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144.7 | 162 | -80.6 | 67.8 | 0 | 0 | 0 | 111.7 | ||
| 834 | S | 37.7 | Very low | 38.3 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -137.8 | 150.3 | 143.3 | 60.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 835 | S | 32.9 | Very low | 38 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -72 | 156.5 | 178.4 | 55.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 836 | D | 35.2 | Very low | 37.4 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | -170.4 | 168.8 | 103.5 | -93.5 | -0.1 | 0 | 0 | 0 | 112.1 | |||||
| 837 | S | 32 | Very low | 36.8 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -102.7 | 145.9 | -174.3 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 838 | N | 36 | Very low | 36.2 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 164.9 | 152.1 | 114.5 | -87.5 | -62.4 | 0 | 0 | 0 | 114.3 | |||||
| 839 | N | 34.5 | Very low | 35 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 52.6 | 97.3 | 151.1 | -70.8 | -27.3 | 0 | 0 | 0 | 122.1 | ||||
| 840 | A | 34.6 | Very low | 34.4 | Very low | 78 Ų | 78 | 142 Ų | 142 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | 75.7 | 146.9 | 105.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 841 | N | 35.9 | Very low | 34 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 79.5 | 94 | 154.9 | -59.6 | -30.1 | 0 | 0 | 0 | 120.7 | ||||
| 842 | N | 32.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | 47.3 | 99.3 | 125 | -61.5 | -21.2 | 0 | 0 | 0 | 119.9 | |||||
| 843 | R | 32.8 | Very low | 32.8 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | -174.7 | 168.7 | 104.2 | -103.5 | 176.2 | 173.3 | -168.4 | -2.4 | 113.9 | |||||
| 844 | L | 28.9 | Very low | 32.9 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -44.9 | 144.2 | 179.8 | -71.2 | 63.5 | 0 | 0 | 0 | 114.2 | ||||
| 845 | L | 32.9 | Very low | 33 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | -167.9 | 125.5 | 108.1 | -100.2 | 165.9 | 0 | 0 | 0 | 113.7 | |||||
| 846 | I | 32.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | 3.2 | 116.8 | 151.5 | -53.8 | 164.1 | 0 | 0 | 0 | 117.4 | ||||
| 847 | N | 30.1 | Very low | 33.1 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -166 | 166 | 112.9 | -116.8 | -36.8 | 0 | 0 | 0 | 114.5 | |||||
| 848 | T | 29.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -103.9 | 139.3 | -174.3 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 849 | S | 33.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | -179.1 | 139.8 | 127 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 850 | L | 31.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 37.6 | 145.6 | 145.2 | -67 | 162.7 | 0 | 0 | 0 | 123.2 | ||||
| 851 | S | 29.9 | Very low | 32.5 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -86.7 | 164.1 | -174.1 | 54.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 852 | S | 33.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -133.7 | 148.3 | 143.1 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 853 | V | 31 | Very low | 32.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -83.3 | 144.3 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 854 | F | 34.1 | Very low | 32.2 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -176.1 | 169.4 | 149.8 | -94.8 | -52.3 | 0 | 0 | 0 | 109.8 | ||||
| 855 | P | 38.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | -120.9 | -179.8 | -85.1 | 26.7 | -4.9 | 0 | 0 | 0 | 112.6 | |||||
| 856 | Y | 35.6 | Very low | 32.3 | Very low | 241 Ų | 241 | 126.9 Ų | 126.9 | 95% | 0.945 | 79% | 0.791 | S | S | * | * | trans | -156 | 137.5 | 133.4 | -114.2 | -72.6 | 0 | 0 | 0 | 111 | ||||
| 857 | A | 34.5 | Very low | 32.3 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -130.1 | 152.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 858 | A | 31.1 | Very low | 32.5 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | 43.3 | 102 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 859 | T | 32.5 | Very low | 32.4 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | -133.5 | 143.6 | 124.6 | 14.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 860 | A | 30.9 | Very low | 32.5 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -138.4 | 166.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 861 | A | 30.9 | Very low | 32.4 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 92 | 154.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 862 | A | 31.3 | Very low | 32.5 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 77.3 | 129.7 | 166 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 863 | V | 30.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | cis | -160.7 | 169.6 | -11.6 | -100 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 864 | S | 33.1 | Very low | 32.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 95.7 | 142.1 | 164.2 | -37 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 865 | S | 33.8 | Very low | 32.8 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | cis | -179.4 | 107.2 | -17.1 | 47.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 866 | S | 30.1 | Very low | 32.4 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | 80.2 | 149.6 | 91.1 | 72.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 867 | F | 32.4 | Very low | 32.3 | Very low | 205 Ų | 205 | 124.9 Ų | 124.9 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | trans | 78.1 | 145.3 | -175.7 | -55.1 | -78.4 | 0 | 0 | 0 | 115.9 | ||||
| 868 | A | 33.2 | Very low | 31.9 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | cis | -138.1 | -168.8 | 2.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 869 | S | 29.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -137.3 | -174.6 | -166.3 | 63.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 870 | Q | 34.2 | Very low | 31.6 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 96.1 | 137.6 | -179.1 | -59.1 | -177.2 | 20.1 | 0 | 0 | 115.1 | ||||
| 871 | A | 31 | Very low | 31.4 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -152.5 | 162.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 872 | Y | 31.4 | Very low | 31.4 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -88 | 171.4 | 173 | -85.5 | -89.4 | 0 | 0 | 0 | 112.2 | T874 | Y872-T874 HydrophobicContact CD1-CG2 3.58Å; Y872-T874 HydrophobicContact CE1-CG2 3.99Å; Y872-T874 HydrophobicContact CG-CG2 4.15Å | ||
| 873 | P | 37.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | -126.1 | 158.6 | 95.2 | 37.6 | -33.2 | 0 | 0 | 0 | 114.5 | |||||
| 874 | T | 31.8 | Very low | 31.2 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 56% | 0.564 | 78% | 0.782 | S | S | * | * | trans | -120.1 | 146.3 | -179.2 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | Y872 | Y872-T874 HydrophobicContact CD1-CG2 3.58Å; Y872-T874 HydrophobicContact CE1-CG2 3.99Å; Y872-T874 HydrophobicContact CG-CG2 4.15Å | ||
| 875 | E | 35.1 | Very low | 31.4 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -156.8 | 119.8 | 133.4 | -74.7 | -142.2 | 139.7 | 0 | 0 | 106.8 | ||||
| 876 | N | 31 | Very low | 31.4 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | 86.2 | 92.6 | 60.9 | -76.4 | -17.7 | 0 | 0 | 0 | 114.5 | |||||
| 877 | S | 32.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -161 | 142.2 | 133.2 | 11.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 878 | F | 27.9 | Very low | 31.6 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -95.6 | 154.6 | -178 | -80.1 | -115.9 | 0 | 0 | 0 | 111.4 | ||||
| 879 | I | 30.8 | Very low | 31.4 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | -158.8 | 143.8 | 120.8 | -101.3 | 155 | 0 | 0 | 0 | 108.9 | |||||
| 880 | L | 25.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 156.4 | 179 | -58.2 | 110 | 0 | 0 | 0 | 109.9 | ||||
| 881 | S | 27.6 | Very low | 31.1 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | -176.5 | 136.8 | 77.3 | -66.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 882 | I | 30 | Very low | 30.9 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | 65.6 | 120 | 131.6 | -59.8 | 168.3 | 0 | 0 | 0 | 119.2 | ||||
| 883 | D | 28.5 | Very low | 30.9 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -64.6 | 150.8 | 165.1 | -56.8 | -85.9 | 0 | 0 | 0 | 114.1 | ||||
| 884 | S | 29.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -164.5 | 153.3 | 141.1 | -85.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 885 | P | 36.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -95.4 | -176.7 | -171.5 | 38.8 | -37.9 | 0 | 0 | 0 | 115.4 | ||||
| 886 | M | 34.5 | Very low | 29.9 | Very low | 156 Ų | 156 | 138 Ų | 138 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | trans | -37.1 | 146.7 | 172.5 | -146.4 | -173.4 | 157.8 | 0 | 0 | 115.5 | E888 | M886-E888 HydrophobicContact CE-CG 4.08Š| ||
| 887 | P | 34.7 | Very low | 30 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -145.5 | -159.5 | 98.3 | 41.1 | -24.9 | 0 | 0 | 0 | 114.8 | |||||
| 888 | E | 30.4 | Very low | 29.8 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -99.5 | 179.1 | -163.8 | -52.9 | 178.7 | 116.4 | 0 | 0 | 116.8 | M886 | M886-E888 HydrophobicContact CE-CG 4.08Š| ||
| 889 | Y | 30.3 | Very low | 29.9 | Very low | 199 Ų | 199 | 131.8 Ų | 131.8 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 72.4 | 106.2 | 150.7 | -83.3 | -70 | 0 | 0 | 0 | 122.3 | ||||
| 890 | A | 29.7 | Very low | 30 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | 47.8 | 129.6 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 891 | S | 27.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | -167 | 148.6 | 121.6 | -87.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 892 | A | 25.6 | Very low | 30.5 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 28.6 | 138.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 893 | S | 32.1 | Very low | 30.7 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -61.6 | 151 | 158.8 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 894 | L | 25.5 | Very low | 30.7 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | 160 | 106.9 | 127.4 | -88.9 | 163.5 | 0 | 0 | 0 | 111.1 | |||||
| 895 | F | 29.9 | Very low | 30.8 | Very low | 221 Ų | 221 | 128.5 Ų | 128.5 | 97% | 0.969 | 80% | 0.798 | S | S | * | * | trans | -149.9 | 129.2 | 146.8 | -104.4 | -71.9 | 0 | 0 | 0 | 110.2 | ||||
| 896 | S | 27.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -96.8 | 128.9 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 897 | G | 32.4 | Very low | 30.7 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -113.9 | 84.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 898 | T | 29.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -73.6 | 128.3 | -178.4 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 899 | G | 29.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -160.2 | 44.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 900 | S | 32.7 | Very low | 31 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -147 | 125.9 | 164.9 | -173.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 901 | G | 31.4 | Very low | 31 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -129.1 | 129.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 902 | T | 32.5 | Very low | 31.3 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -161.6 | 111 | 138.6 | 36.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 903 | I | 33.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 130 Ų | 130 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 48.8 | 137.4 | 136.3 | -51.9 | 179.1 | 0 | 0 | 0 | 119.1 | ||||
| 904 | S | 28.3 | Very low | 31.8 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -115.1 | -168.8 | -166.6 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 905 | L | 32.3 | Very low | 32 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 81.5 | 129.5 | 176.3 | -49.3 | 164 | 0 | 0 | 0 | 114.4 | ||||
| 906 | G | 33.5 | Very low | 32.1 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | -166.6 | 167.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 907 | P | 36.1 | Very low | 32.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -95.5 | 149.3 | -169.1 | 36 | -34.6 | 0 | 0 | 0 | 114.9 | ||||
| 908 | N | 33.2 | Very low | 32.5 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | -179.2 | 170.5 | 129.4 | -93.3 | -16.2 | 0 | 0 | 0 | 113.6 | |||||
| 909 | D | 34.9 | Very low | 32.5 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 75.1 | 88 | 158.8 | -63.2 | -12.5 | 0 | 0 | 0 | 122.9 | ||||
| 910 | L | 32.9 | Very low | 32.5 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 74.8 | 105.6 | 111.1 | -73.2 | 165.5 | 0 | 0 | 0 | 122.8 | |||||
| 911 | R | 30.1 | Very low | 32.2 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | 83.4 | 138.6 | 125.1 | -98.4 | -176.7 | 174.2 | 167.6 | -1.9 | 122.1 | |||||
| 912 | N | 33.4 | Very low | 32 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 70.3 | 142.1 | 158.9 | -56.7 | -10.8 | 0 | 0 | 0 | 114.3 | ||||
| 913 | S | 32.4 | Very low | 31.6 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | cis | -168.6 | 148.4 | 9.1 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 914 | V | 35.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | cis | -163.9 | 141.1 | -6.3 | 128.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 915 | I | 31.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 25.8 | 127.8 | 137.7 | -47.2 | 171.4 | 0 | 0 | 0 | 117 | ||||
| 916 | S | 32.1 | Very low | 31.3 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -172.9 | 172.1 | 30.5 | 33 | 0 | 0 | 0 | 0 | 111 | ||||
| 917 | K | 35.5 | Very low | 31.2 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | cis | -155.6 | 132.4 | 3.2 | -124.9 | 161 | -175.9 | 178.4 | 0 | 112 | ||||
| 918 | T | 32.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | 41.3 | 124.7 | 137.3 | 58.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 919 | T | 28.6 | Very low | 30.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | cis | 85 | 149.2 | 12.6 | 85 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 920 | F | 29.9 | Very low | 30.3 | Very low | 176 Ų | 176 | 140 Ų | 140 | 77% | 0.772 | 75% | 0.754 | S | S | * | * | trans | 74.3 | 135.3 | 177.2 | -55 | -78.5 | 0 | 0 | 0 | 117.6 | ||||
| 921 | D | 26.2 | Very low | 30.1 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | 97.4 | 154.5 | 15.9 | -64.9 | -57 | 0 | 0 | 0 | 117.4 | ||||
| 922 | S | 26.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 85.5 | 107.1 | 154.6 | -171.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 923 | C | 23.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 40.4 | 132.8 | 133.1 | -55.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 924 | C | 30.2 | Very low | 29.2 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 96% | 0.959 | 76% | 0.764 | S | S | * | * | -155.6 | 156.3 | 127.6 | -114.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 925 | D | 28.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -132 | 156.4 | -162.8 | -156.8 | -2.9 | 0 | 0 | 0 | 113.6 | ||||
| 926 | T | 29.8 | Very low | 28.5 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | 47.3 | 122.8 | 168.6 | 60.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 927 | T | 32 | Very low | 28.3 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | 167.7 | 136.8 | 102.2 | 38.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 928 | N | 30.6 | Very low | 27.7 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 51.7 | 123.8 | 140.6 | -75.7 | -57.7 | 0 | 0 | 0 | 124.8 | ||||
| 929 | K | 27.7 | Very low | 27.5 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 81.2 | 127.9 | 125.6 | -75.7 | -179.2 | -179.1 | -179.2 | 0 | 122.1 | |||||
| 930 | Y | 26.6 | Very low | 27.6 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 49.9 | 100.9 | 148.5 | -75.9 | -84.2 | 0 | 0 | 0 | 119.1 | ||||
| 931 | K | 29.6 | Very low | 27.3 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -145.1 | 109.3 | 131.2 | -137.4 | 179.6 | -172.1 | -172.7 | 0 | 112 | L933 | K931-L933 HydrophobicContact CD-CD1 4.41Š| ||
| 932 | Q | 26 | Very low | 27.6 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 131.9 | 150.8 | -74.4 | 176.8 | -26.9 | 0 | 0 | 107.5 | ||||
| 933 | L | 27.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -164.3 | 143.3 | 151 | -108.5 | 156.4 | 0 | 0 | 0 | 108.3 | K931 | K931-L933 HydrophobicContact CD-CD1 4.41Š| ||
| 934 | M | 23.2 | Very low | 27.9 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -73 | 131.5 | 176.1 | -66 | 175.4 | 170.6 | 0 | 0 | 109.8 | ||||
| 935 | E | 28.2 | Very low | 27.7 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -139.5 | 97 | 158.9 | -118.7 | 167.9 | -118 | 0 | 0 | 110 | Y937 | E935-Y937 HydrophobicContact CB-CD2 4.37Å; E935-Y937 HydrophobicContact CB-CE2 4.1Å; E935-Y937 HydrophobicContact CG-CE2 4.06Å; E935-Y937 PolarHBondContact O-N 3.33Å | ||
| 936 | T | 24.1 | Very low | 27.6 | Very low | 133 Ų | 133 | 150 Ų | 150 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 115.1 | 173.5 | 40.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 937 | Y | 26.5 | Very low | 27.5 | Very low | 190 Ų | 190 | 155.1 Ų | 155.1 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -115 | 111.9 | 167.5 | -83.3 | -81.8 | 0 | 0 | 0 | 111.4 | E935 V939 | E935-Y937 HydrophobicContact CB-CD2 4.37Å; E935-Y937 HydrophobicContact CB-CE2 4.1Å; E935-Y937 HydrophobicContact CG-CE2 4.06Å; E935-Y937 PolarHBondContact O-N 3.33Å; Y937-V939 PolarHBondContact O-N 2.91Å | ||
| 938 | C | 24 | Very low | 27.3 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 121.1 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 939 | V | 28.5 | Very low | 27.2 | Very low | 135 Ų | 135 | 160.2 Ų | 160.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 130.3 | 158.3 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | Y937 Q941 | Y937-V939 PolarHBondContact O-N 2.91Å; V939-Q941 PolarHBondContact O-N 3.49Å |
| 940 | P | 28.9 | Very low | 27.2 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 133.9 | -169.5 | -23 | 33.9 | 0 | 0 | 0 | 113.6 | ||
| 941 | Q | 24.9 | Very low | 27.4 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 134.3 | 155.5 | -69.3 | -172 | -1.5 | 0 | 0 | 108.9 | V939 | V939-Q941 PolarHBondContact O-N 3.49Š|
| 942 | H | 32.9 | Very low | 27.4 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -121.3 | 118.3 | 160 | -123.5 | -82 | 0 | 0 | 0 | 108.7 | ||||
| 943 | M | 26 | Very low | 27.6 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | -85.2 | 177.5 | -176.8 | -58.4 | -172.4 | 82.6 | 0 | 0 | 111.9 | ||||
| 944 | N | 29.5 | Very low | 27.8 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 90.1 | 126 | 170.4 | -50.8 | -25.7 | 0 | 0 | 0 | 114.7 | ||||
| 945 | S | 27.2 | Very low | 28.3 | Very low | 105 Ų | 105 | 153 Ų | 153 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -155.3 | 133.5 | -1 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 946 | C | 25 | Very low | 28.4 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | 38.1 | 101 | 142.3 | -55.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 947 | F | 27.2 | Very low | 28.8 | Very low | 213 Ų | 213 | 150.5 Ų | 150.5 | 93% | 0.934 | 79% | 0.787 | S | S | * | * | -144.9 | 115.4 | 129.5 | -104.8 | -79.8 | 0 | 0 | 0 | 108.5 | |||||
| 948 | W | 27.7 | Very low | 29 | Very low | 244 Ų | 244 | 147.8 Ų | 147.8 | 92% | 0.924 | 78% | 0.782 | S | S | * | * | trans | -106.5 | 143.4 | 172.6 | -93.2 | 74.5 | 0 | 0 | 0 | 109.6 | ||||
| 949 | P | 29.2 | Very low | 29.2 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 152.8 | -177.4 | 34.8 | -35.6 | 0 | 0 | 0 | 112.6 | ||||
| 950 | S | 27.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 154.3 Ų | 154.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -154.3 | 117.4 | 162.3 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 951 | N | 29.8 | Very low | 29.4 | Very low | 139 Ų | 139 | 157.7 Ų | 157.7 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | 179.6 | 107.3 | 117.1 | -94.2 | 3.7 | 0 | 0 | 0 | 111.1 | |||||
| 952 | Y | 29.7 | Very low | 29.6 | Very low | 228 Ų | 228 | 154 Ų | 154 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -161.3 | 87.4 | 134.3 | -105.4 | -68.2 | 0 | 0 | 0 | 107.5 | ||||
| 953 | N | 31.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -106.6 | 129.3 | 168.2 | -86.8 | -0.5 | 0 | 0 | 0 | 108.1 | ||||
| 954 | N | 32.7 | Very low | 29.8 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -103.9 | 153.9 | 158.1 | -84 | -7 | 0 | 0 | 0 | 109.7 | ||||
| 955 | D | 32.5 | Very low | 30 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 68.1 | 149.8 | 171.3 | -68.3 | -31.8 | 0 | 0 | 0 | 120.4 | ||||
| 956 | P | 30.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 151.8 Ų | 151.8 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -127.1 | 152.8 | -150.6 | 37.7 | -20.6 | 0 | 0 | 0 | 114.9 | ||||
| 957 | N | 32.4 | Very low | 30.7 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | -175.8 | 136.6 | 125.8 | -103.8 | -63.2 | 0 | 0 | 0 | 113.1 | |||||
| 958 | Q | 30.7 | Very low | 30.6 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | 31.3 | 128.7 | 132.2 | -73 | -171.7 | 62.8 | 0 | 0 | 119.8 | ||||
| 959 | R | 30.1 | Very low | 30.7 | Very low | 219 Ų | 219 | 148.5 Ų | 148.5 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | cis | -146.7 | 166.4 | 15.4 | -63.4 | -165.4 | 168.5 | -177 | -4 | 113.9 | ||||
| 960 | Q | 29 | Very low | 30.6 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -78.6 | 159 | 174.1 | -58.9 | 166.3 | -28.9 | 0 | 0 | 113.3 | ||||
| 961 | L | 32.1 | Very low | 30.8 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -135.1 | 146.3 | 131 | -97.3 | 171.1 | 0 | 0 | 0 | 108.3 | ||||
| 962 | N | 27.8 | Very low | 30.9 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 51% | 0.513 | 78% | 0.78 | S | S | . | * | trans | -151.9 | 151.1 | -162.4 | 177.1 | 39.9 | 0 | 0 | 0 | 111.9 | N964 | N962-N964 PolarHBondContact ND2-OD1 2.88Š| ||
| 963 | F | 33.9 | Very low | 31 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -145.4 | 146 | 165.9 | -96.6 | -79.1 | 0 | 0 | 0 | 111.4 | ||||
| 964 | N | 29.8 | Very low | 30.8 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | trans | -117.3 | 164 | -153.2 | -63.9 | -46 | 0 | 0 | 0 | 116 | N962 I966 | N962-N964 PolarHBondContact ND2-OD1 2.88Å; N964-I966 HydrophobicContact CB-CD1 4.19Å | ||
| 965 | G | 33.2 | Very low | 30.8 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 143.6 | 95.2 | 165 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 966 | I | 33.3 | Very low | 30.6 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | 76.3 | 132.6 | 34.5 | -54.1 | 174.7 | 0 | 0 | 0 | 112.5 | N964 | N964-I966 HydrophobicContact CB-CD1 4.19Š| ||
| 967 | P | 33.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | cis | -124.9 | -176.8 | -1.1 | 35.9 | -17.7 | 0 | 0 | 0 | 116 | ||||
| 968 | K | 25.7 | Very low | 30.5 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -105.3 | 164.7 | 160 | -69.4 | 177.1 | 176.5 | 177.5 | 0 | 110.4 | ||||
| 969 | L | 29.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 147 Ų | 147 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -141.3 | 155.8 | 156.1 | -160.4 | 67.8 | 0 | 0 | 0 | 110.7 | ||||
| 970 | S | 27.5 | Very low | 30.5 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -155.7 | 136.2 | -170.4 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 971 | T | 32.4 | Very low | 30.4 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -165.2 | 140.7 | 162.3 | 20.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 972 | P | 31.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -99 | 149.5 | 168.3 | 37 | -31.1 | 0 | 0 | 0 | 112.3 | ||||
| 973 | I | 32.4 | Very low | 30.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -141.8 | 139.2 | 172.6 | -62.7 | -177.5 | 0 | 0 | 0 | 110.1 | ||||
| 974 | T | 27.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -100.5 | 152.7 | 172.9 | 9.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 975 | G | 32.3 | Very low | 30.2 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -166.9 | 145.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 976 | T | 28.9 | Very low | 30.1 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -133.3 | 144.9 | -173 | 46.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 977 | V | 31.4 | Very low | 29.9 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -140.7 | 163.7 | 169 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 978 | Q | 28.4 | Very low | 29.5 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -148.1 | 175.8 | -147.7 | -171.9 | -178.6 | -21.2 | 0 | 0 | 112.6 | ||||
| 979 | M | 29.1 | Very low | 29.9 | Very low | 169 Ų | 169 | 128 Ų | 128 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 83.3 | 148.1 | 168.9 | -51.1 | -82.4 | -85.9 | 0 | 0 | 115.1 | ||||
| 980 | A | 31.6 | Very low | 29.8 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -164.3 | 153.1 | -13 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 981 | A | 27.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | cis | 122.1 | 100.8 | 16.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 982 | A | 31.7 | Very low | 29.6 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -172.1 | 118.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 983 | T | 27.3 | Very low | 29.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | 54.3 | 131 | 78.6 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 984 | S | 31.6 | Very low | 29.2 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | cis | -154.8 | 139.8 | 18.2 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 985 | S | 29 | Very low | 29.3 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | 77.6 | 149.7 | 99.3 | 83.2 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 986 | D | 30.9 | Very low | 28.9 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 69.1 | 150.6 | 161.6 | -52.4 | -54.6 | 0 | 0 | 0 | 119.7 | ||||
| 987 | S | 28.2 | Very low | 29 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | cis | -159.6 | 160.5 | -27.9 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 988 | T | 26.5 | Very low | 28.9 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -11.3 | 137.9 | 162.5 | 49.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 989 | H | 32.6 | Very low | 28.7 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | -171.4 | 157 | 102.5 | -109.3 | -79.7 | 0 | 0 | 0 | 115 | |||||
| 990 | N | 26.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -80.4 | 157.1 | 175.4 | -51.7 | -38 | 0 | 0 | 0 | 112 | ||||
| 991 | N | 29.7 | Very low | 28.4 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | -171.7 | 145.6 | 106.8 | -93.8 | -23.5 | 0 | 0 | 0 | 114.3 | |||||
| 992 | T | 26.9 | Very low | 28.5 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -84.7 | 148 | 173.6 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 993 | Q | 30.1 | Very low | 28.1 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 94% | 0.944 | 79% | 0.787 | S | S | * | * | trans | -148.3 | 155.9 | 141 | -117.6 | 174.5 | 27 | 0 | 0 | 111.3 | ||||
| 994 | S | 25.1 | Very low | 28.1 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -134.8 | 140.4 | -163.1 | 56 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 995 | S | 29.3 | Very low | 27.9 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 134.9 | 157.3 | 50.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 996 | S | 25 | Very low | 27.8 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -90.5 | 161.9 | 174.7 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 997 | I | 30.3 | Very low | 27.6 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -167.5 | 118.1 | 136 | -98.6 | 149.4 | 0 | 0 | 0 | 111 | ||||
| 998 | N | 28.6 | Very low | 27.5 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | 34.1 | 125.7 | 145 | -49 | -13.5 | 0 | 0 | 0 | 122.8 | ||||
| 999 | N | 25.3 | Very low | 27.5 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | 29.8 | 134.4 | 124.2 | -53.2 | -6.3 | 0 | 0 | 0 | 120.6 | |||||
| 1000 | E | 29.3 | Very low | 27.2 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | -156.9 | 167.6 | 104.1 | -118.3 | 174 | -153.5 | 0 | 0 | 113.4 | |||||
| 1001 | N | 24.6 | Very low | 27.2 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -89.3 | 154.9 | -171.2 | -62.2 | -76.2 | 0 | 0 | 0 | 112.8 | ||||
| 1002 | L | 29.3 | Very low | 27.1 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -152.6 | 120.8 | 145.9 | -112.8 | 161.9 | 0 | 0 | 0 | 111 | ||||
| 1003 | S | 23.3 | Very low | 27 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -90.9 | -169.3 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1004 | E | 27.9 | Very low | 26.9 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 82.7 | 145 | -178.8 | -51 | 177.1 | -168.6 | 0 | 0 | 114.3 | ||||
| 1005 | S | 27.5 | Very low | 27 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | -142.2 | 173.4 | -2.8 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1006 | L | 25.8 | Very low | 27.1 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -54.7 | 147.1 | 160.3 | -57.5 | 145.8 | 0 | 0 | 0 | 110.7 | ||||
| 1007 | D | 27 | Very low | 27.2 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 167 | 140.6 | 96.3 | -103.7 | -37.9 | 0 | 0 | 0 | 116.3 | |||||
| 1008 | S | 26.2 | Very low | 27.2 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 46.3 | 135.5 | 146.4 | 78.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1009 | S | 26.3 | Very low | 27.3 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 76.2 | 144.5 | 144.5 | 81.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1010 | G | 27.8 | Very low | 27.6 | Very low | 51 Ų | 51 | 147 Ų | 147 | 53% | 0.526 | 78% | 0.778 | S | S | . | * | trans | 105 | 84.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y1012 | G1010-Y1012 PolarHBondContact O-N 3.23Š| ||
| 1011 | M | 26.1 | Very low | 27.8 | Very low | 187 Ų | 187 | 144 Ų | 144 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -68.6 | 82.7 | 157.7 | -86.4 | -68.9 | -73.3 | 0 | 0 | 110.1 | ||||
| 1012 | Y | 26.9 | Very low | 28.2 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -102.1 | 123.9 | 170.9 | -82.8 | -79.4 | 0 | 0 | 0 | 110.7 | G1010 L1014 | G1010-Y1012 PolarHBondContact O-N 3.23Å; Y1012-L1014 PolarHBondContact O-N 3.14Å; Y1012-L1014 VanDerWaalsContact O-N 3.08Å | ||
| 1013 | Y | 26.1 | Very low | 28.4 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -61.5 | 109.8 | 168 | -80.2 | -91.4 | 0 | 0 | 0 | 110.4 | T1015 | Y1013-T1015 PolarHBondContact O-N 3.18Š| ||
| 1014 | L | 27.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 144 Ų | 144 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -70.7 | 86.4 | 177.5 | -86.1 | 168.3 | 0 | 0 | 0 | 111.5 | Y1012 H1016 | Y1012-L1014 PolarHBondContact O-N 3.14Å; Y1012-L1014 VanDerWaalsContact O-N 3.08Å; L1014-H1016 VanDerWaalsContact C-N 3.31Å; L1014-H1016 PolarHBondContact O-N 3.41Å | ||
| 1015 | T | 27.5 | Very low | 29.1 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -75 | 82.1 | 169.2 | 40.1 | 0 | 0 | 0 | 0 | 110.3 | Y1013 K1017 | Y1013-T1015 PolarHBondContact O-N 3.18Å; T1015-K1017 PolarHBondContact O-N 3.22Å | ||
| 1016 | H | 30.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -67.9 | 89.4 | -179.4 | -112.9 | -85.1 | 0 | 0 | 0 | 112.1 | L1014 K1018 | L1014-H1016 VanDerWaalsContact C-N 3.31Å; L1014-H1016 PolarHBondContact O-N 3.41Å; H1016-K1018 PolarHBondContact O-N 3.45Å | ||
| 1017 | K | 28.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | -78.7 | 98.5 | 171.6 | -170.1 | -173.2 | 179.2 | -163.7 | 0 | 110.2 | T1015 H1019 | T1015-K1017 PolarHBondContact O-N 3.22Å; K1017-H1019 PolarHBondContact NZ-NE2 3.04Å; K1017-H1019 VanDerWaalsContact NZ-NE2 3.2Å | ||
| 1018 | K | 29.9 | Very low | 29.8 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -71.1 | 130.8 | 168.6 | -149 | 176.9 | -176.1 | -173.3 | 0 | 109.7 | H1016 | H1016-K1018 PolarHBondContact O-N 3.45Š| ||
| 1019 | H | 30.2 | Very low | 29.8 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | trans | -121.5 | 148.1 | 158.9 | -111.2 | -79 | 0 | 0 | 0 | 105.4 | K1017 D1021 | K1017-H1019 PolarHBondContact NZ-NE2 3.04Å; K1017-H1019 VanDerWaalsContact NZ-NE2 3.2Å; H1019-D1021 IonicContact ND1-OD1 3.12Å | ||
| 1020 | G | 32.2 | Very low | 30 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 155.3 | 101.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 1021 | D | 33.4 | Very low | 30 | Very low | 131 Ų | 131 | 151 Ų | 151 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 159.2 | -158.6 | -46.1 | -58.4 | 0 | 0 | 0 | 111.7 | H1019 | H1019-D1021 IonicContact ND1-OD1 3.12Š| ||
| 1022 | D | 31.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | 8.3 | 122.1 | 157.4 | -46.7 | -31.2 | 0 | 0 | 0 | 118.5 | ||||
| 1023 | D | 35.5 | Very low | 30.3 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | -155.1 | 152.2 | 108.4 | -126.1 | -35.6 | 0 | 0 | 0 | 115.2 | |||||
| 1024 | N | 32.1 | Very low | 30.4 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -36.3 | 134.3 | -171.6 | -81 | -86.2 | 0 | 0 | 0 | 123 | ||||
| 1025 | N | 32.4 | Very low | 30.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | 87.6 | 134.9 | 125.2 | -65.7 | -21.2 | 0 | 0 | 0 | 125.3 | |||||
| 1026 | N | 32.5 | Very low | 30.5 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 73.6 | 93.9 | 146.2 | -61.8 | -7.2 | 0 | 0 | 0 | 121.3 | ||||
| 1027 | N | 30.3 | Very low | 30.5 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 16.7 | 133.7 | 120.2 | -56.8 | -13.1 | 0 | 0 | 0 | 119 | |||||
| 1028 | D | 32.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | -159.5 | 161.7 | 99.9 | -105.2 | -24.3 | 0 | 0 | 0 | 113.3 | |||||
| 1029 | N | 27.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -118 | 122.9 | -176.9 | -69.2 | -83.4 | 0 | 0 | 0 | 112 | ||||
| 1030 | I | 30.6 | Very low | 30.2 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -139.5 | 102.9 | 163.5 | -56.3 | -176.9 | 0 | 0 | 0 | 111.7 | ||||
| 1031 | S | 26.6 | Very low | 30 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | 36.7 | 160.2 | 125.5 | -63.1 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1032 | P | 35 | Very low | 29.7 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | trans | -109.5 | -176 | -153.8 | 43 | -37.1 | 0 | 0 | 0 | 116.5 | ||||
| 1033 | N | 25.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 77.6 | 113.3 | 169.5 | -55.9 | -29.1 | 0 | 0 | 0 | 117.1 | ||||
| 1034 | L | 27.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | -174.8 | 132.9 | 114.7 | -118.8 | 65.3 | 0 | 0 | 0 | 113.2 | |||||
| 1035 | I | 29.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 57.7 | 119.5 | 144.4 | -64.3 | 166.2 | 0 | 0 | 0 | 121.1 | ||||
| 1036 | H | 27.5 | Very low | 28.8 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 0.1 | 135.4 | 150.2 | -72.1 | -88.6 | 0 | 0 | 0 | 121.1 | ||||
| 1037 | K | 30.4 | Very low | 28.6 | Very low | 205 Ų | 205 | 143.4 Ų | 143.4 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | -157.5 | 128.9 | 126.2 | -108.1 | 158.4 | -174.6 | 173.9 | 0 | 111.4 | |||||
| 1038 | N | 24.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 155.4 | 172.4 | -65.4 | 2.8 | 0 | 0 | 0 | 110.6 | ||||
| 1039 | P | 31.2 | Very low | 28.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | -130.1 | 140.1 | 104.7 | 32.5 | -21.9 | 0 | 0 | 0 | 111.9 | |||||
| 1040 | T | 25.9 | Very low | 28.5 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | 77.6 | 145.6 | 62.3 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1041 | V | 26.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 93.6 | 122.7 | -174.2 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1042 | F | 26.8 | Very low | 28.7 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | cis | -152.5 | 145.5 | -16.8 | -130.9 | -95.7 | 0 | 0 | 0 | 107.9 | ||||
| 1043 | L | 23.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -117.2 | 138.3 | 173.2 | -75.3 | 172 | 0 | 0 | 0 | 110.6 | ||||
| 1044 | P | 33.1 | Very low | 29.1 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 123 | 152 | 31.3 | -28.3 | 0 | 0 | 0 | 108.8 | ||||
| 1045 | F | 26.9 | Very low | 29.4 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 153 | 175.8 | -63.6 | -103.2 | 0 | 0 | 0 | 110.5 | ||||
| 1046 | T | 29.1 | Very low | 29.5 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | -134.7 | 140.5 | 85.2 | 35.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1047 | A | 30 | Very low | 29.8 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -82.3 | 165.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1048 | G | 31.1 | Very low | 29.9 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | cis | -174.6 | -167.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1049 | G | 29.5 | Very low | 30.3 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 145.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1050 | G | 27.2 | Very low | 30.3 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 153.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1051 | T | 32.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 147.2 | 153.4 | 30.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1052 | S | 28.7 | Very low | 31 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 170.6 | 171.7 | -66.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1053 | P | 35.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -134.7 | -168.3 | -25.5 | 28.9 | -6.3 | 0 | 0 | 0 | 113.3 | ||||
| 1054 | A | 33 | Very low | 31.9 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | 97.9 | 130.1 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1055 | T | 32.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 116.7 Ų | 116.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 72.8 | 108.2 | 138.2 | 42.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1056 | T | 33.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 113.6 Ų | 113.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | 115.3 | 99.4 | 117.3 | -61.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1057 | A | 32.5 | Very low | 32.2 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 78.4 | 162.1 | 133.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1058 | A | 33.8 | Very low | 32.2 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 65.4 | 88.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1059 | T | 32.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | 84.2 | 101.6 | 44.6 | -51.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1060 | L | 32.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -173.6 | 105.1 | 140.5 | -104.3 | 157.7 | 0 | 0 | 0 | 113.1 | ||||
| 1061 | Q | 33.3 | Very low | 32.7 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 30.7 | 123 | 148.5 | -64.4 | 160.5 | -8.7 | 0 | 0 | 120.3 | ||||
| 1062 | T | 33.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | 66.5 | 143.8 | 36.9 | 80.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1063 | P | 38.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -141.3 | -169.4 | 34.4 | 40.4 | -20.4 | 0 | 0 | 0 | 116.2 | ||||
| 1064 | L | 31.1 | Very low | 32.5 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | -171.1 | 158.3 | -50.5 | -159.1 | 88.4 | 0 | 0 | 0 | 108 | T1066 | L1064-T1066 HydrophobicContact CD2-CG2 3.88Å; L1064-T1066 HydrophobicContact CG-CG2 4.34Å | |||
| 1065 | G | 32.6 | Very low | 32.5 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 160.4 | 50.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1066 | T | 32.7 | Very low | 32.5 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | 65 | 106 | 104.1 | 61.2 | 0 | 0 | 0 | 0 | 116.7 | L1064 | L1064-T1066 HydrophobicContact CD2-CG2 3.88Å; L1064-T1066 HydrophobicContact CG-CG2 4.34Å | |||
| 1067 | H | 30.5 | Very low | 32.4 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 162.1 | 160.4 | -78.4 | -109.6 | 0 | 0 | 0 | 112 | ||||
| 1068 | L | 30.9 | Very low | 32.4 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -131.4 | 142.9 | 160.5 | -96.6 | 169.2 | 0 | 0 | 0 | 111.6 | ||||
| 1069 | I | 28.8 | Very low | 32.3 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 67% | 0.672 | 79% | 0.785 | S | S | * | * | trans | -118.4 | 131.9 | 175.6 | -55.7 | 169.8 | 0 | 0 | 0 | 107.4 | I1071 | I1069-I1071 HydrophobicContact CG2-CG1 4.06Å; I1069-I1071 PolarHBondContact O-N 3.32Å | ||
| 1070 | P | 37 | Very low | 32.4 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -85 | 95 | 170 | 32.5 | -30.7 | 0 | 0 | 0 | 110.8 | ||||
| 1071 | I | 32.4 | Very low | 32.5 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | -88.8 | 151.6 | 163.3 | -68.9 | 179.5 | 0 | 0 | 0 | 109.2 | I1069 | I1069-I1071 HydrophobicContact CG2-CG1 4.06Å; I1069-I1071 PolarHBondContact O-N 3.32Å | ||
| 1072 | R | 27.8 | Very low | 32.4 | Very low | 232 Ų | 232 | 138.2 Ų | 138.2 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -54 | 140.6 | -179.3 | -61.8 | 173.9 | 175.9 | 172.1 | -3.1 | 112.9 | ||||
| 1073 | T | 32.7 | Very low | 32.4 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -117.5 | 129.3 | 159.5 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1074 | I | 31 | Very low | 31.9 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -101.4 | 134.9 | 173 | -66.2 | 171.8 | 0 | 0 | 0 | 108.1 | ||||
| 1075 | G | 33.6 | Very low | 32 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -131.1 | 145.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1076 | L | 32.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -126.1 | 146.3 | -164.8 | -76.8 | 163.3 | 0 | 0 | 0 | 113.5 | ||||
| 1077 | R | 30.5 | Very low | 31.8 | Very low | 241 Ų | 241 | 137 Ų | 137 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | 69.1 | 154.1 | 158.5 | -82.6 | -179.2 | 172.7 | -165.6 | -2.9 | 117.3 | ||||
| 1078 | S | 34.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -162.4 | 147.3 | -0.9 | 43.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1079 | G | 32 | Very low | 31.8 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 76.7 | 157.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1080 | N | 34.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | cis | -163.8 | 160.9 | -3.6 | -134 | 16.6 | 0 | 0 | 0 | 111.9 | ||||
| 1081 | S | 32.9 | Very low | 31.9 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 58.5 | 105 | 157.9 | -161.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1082 | V | 32.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | 68.5 | 116.1 | 77.3 | 176.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 1083 | A | 32.8 | Very low | 32.4 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -165.9 | 150.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1084 | S | 29.2 | Very low | 32.5 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -140.4 | 154.9 | -176.3 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1085 | G | 32.3 | Very low | 32.7 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -174.7 | 144.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1086 | G | 27.4 | Very low | 32.6 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -158.2 | 150 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1087 | I | 33.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -149 | 112.6 | -174.7 | -59.4 | 177.5 | 0 | 0 | 0 | 104.7 | ||||
| 1088 | I | 27.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | 70.5 | 108.3 | 57.7 | -58 | -178.8 | 0 | 0 | 0 | 114 | |||||
| 1089 | L | 34.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 128 Ų | 128 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 178.9 | 111.2 | 149.5 | -92 | 155 | 0 | 0 | 0 | 105.2 | ||||
| 1090 | A | 33.6 | Very low | 32.6 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | 74.3 | 131 | 64 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1091 | N | 33.3 | Very low | 32.5 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | cis | -167.5 | 176.6 | -2.8 | -173.3 | 22.9 | 0 | 0 | 0 | 110.7 | ||||
| 1092 | R | 33.5 | Very low | 32.5 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 75% | 0.751 | 78% | 0.775 | S | S | * | * | trans | 83.3 | 143.9 | 160.6 | -47.9 | -168.1 | 84.2 | 132.9 | 11.5 | 118 | ||||
| 1093 | D | 37 | Very low | 32.4 | Very low | 94 Ų | 94 | 135 Ų | 135 | 50% | 0.503 | 77% | 0.772 | S | S | . | * | cis | -159.7 | 149.6 | -13.9 | -103.1 | -9.1 | 0 | 0 | 0 | 110 | ||||
| 1094 | N | 35.3 | Very low | 32.5 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 63.3 | 149.8 | 154.3 | -67.2 | -24.3 | 0 | 0 | 0 | 121.1 | ||||
| 1095 | S | 35.3 | Very low | 32.6 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | cis | -173.9 | 143.7 | -15.5 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1096 | I | 31.3 | Very low | 32.7 | Very low | 163 Ų | 163 | 139 Ų | 139 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 58.9 | 130.2 | 140.8 | -62.9 | 166.8 | 0 | 0 | 0 | 117.3 | ||||
| 1097 | S | 33.9 | Very low | 32.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -152.9 | 173 | 39.6 | 41.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1098 | N | 28.6 | Very low | 32.8 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -85.2 | 166.5 | 179.3 | -50.3 | -60.7 | 0 | 0 | 0 | 114.1 | ||||
| 1099 | I | 35 | Very low | 33.2 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | -160.7 | 145.8 | 123.1 | -100.8 | 153.2 | 0 | 0 | 0 | 111.2 | |||||
| 1100 | H | 30.5 | Very low | 33 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -77.3 | 163.4 | 178.6 | -97 | -74.1 | 0 | 0 | 0 | 112.1 | ||||
| 1101 | Y | 32.8 | Very low | 33.4 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | -171.1 | 165.6 | 84.4 | -110 | -89.3 | 0 | 0 | 0 | 115.8 | |||||
| 1102 | Q | 33.1 | Very low | 33.4 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -23.1 | 141.6 | 177.8 | -67.5 | 155.9 | -20.7 | 0 | 0 | 118.2 | ||||
| 1103 | S | 29.6 | Very low | 33.5 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | 81.4 | 111.4 | 32.9 | 85.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1104 | A | 35 | Very low | 33.6 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -142.1 | 130.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1105 | L | 31.6 | Very low | 33.4 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -153.3 | 125 | -172.8 | -153.3 | 170.6 | 0 | 0 | 0 | 108.4 | T1107 | L1105-T1107 HydrophobicContact CD2-CG2 3.71Š| ||
| 1106 | T | 34.3 | Very low | 33.3 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -125.1 | 116.9 | -179.8 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1107 | T | 28.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -122.2 | 125.3 | -178.9 | 42.6 | 0 | 0 | 0 | 0 | 112.1 | L1105 | L1105-T1107 HydrophobicContact CD2-CG2 3.71Š| ||
| 1108 | T | 34.7 | Very low | 33.2 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -167.9 | 145.3 | 164.2 | 36.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 1109 | T | 35.3 | Very low | 33.2 | Very low | 128 Ų | 128 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -160.6 | 145.2 | -16.4 | 10.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1110 | T | 30.5 | Very low | 33.3 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -97.3 | 156.5 | 168.6 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1111 | P | 43.2 | Very low | 33.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -130 | 159.4 | 141.1 | 36.9 | -27.4 | 0 | 0 | 0 | 112.2 | ||||
| 1112 | A | 32.6 | Very low | 33.6 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -130.3 | 145.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1113 | S | 36.1 | Very low | 33.7 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -164.3 | 161.6 | 168.6 | -89.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1114 | P | 38.3 | Very low | 34 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | trans | -127.3 | 178.7 | -139.4 | 42.9 | -30.3 | 0 | 0 | 0 | 116.3 | ||||
| 1115 | N | 30.3 | Very low | 34 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 34.6 | 126.6 | 148.4 | -60.7 | -9.3 | 0 | 0 | 0 | 120.2 | ||||
| 1116 | H | 33.8 | Very low | 34.1 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | -154.3 | 141.7 | 121.4 | -121 | -80.5 | 0 | 0 | 0 | 113.5 | |||||
| 1117 | F | 28.4 | Very low | 34 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 153 | 168.3 | -96.1 | -110.1 | 0 | 0 | 0 | 110.9 | ||||
| 1118 | Y | 34.3 | Very low | 34.2 | Very low | 225 Ų | 225 | 143 Ų | 143 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -140.4 | 129.8 | 142 | -101.2 | -78.9 | 0 | 0 | 0 | 111 | ||||
| 1119 | H | 30 | Very low | 34.1 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 62% | 0.616 | 76% | 0.764 | S | S | * | * | trans | -101.5 | 155.5 | 171 | -115.5 | -81.3 | 0 | 0 | 0 | 108.8 | ||||
| 1120 | H | 37.2 | Very low | 33.9 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | -142.7 | 164.7 | 145.2 | -111.3 | -82 | 0 | 0 | 0 | 110.2 | ||||
| 1121 | H | 33.6 | Very low | 34 | Very low | 169 Ų | 169 | 144 Ų | 144 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -130.8 | 160.6 | -156.6 | -123.8 | -94.7 | 0 | 0 | 0 | 112.4 | ||||
| 1122 | G | 35.1 | Very low | 33.3 | Very low | 58 Ų | 58 | 145.9 Ų | 145.9 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | trans | 125.4 | 137.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1123 | D | 35.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | cis | -156.9 | 178.5 | -10.9 | -105 | -29.1 | 0 | 0 | 0 | 112 | ||||
| 1124 | E | 35.7 | Very low | 32.9 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | trans | -54.1 | 174.6 | 178.3 | -40.9 | -172.1 | 168.8 | 0 | 0 | 116.1 | ||||
| 1125 | N | 35.3 | Very low | 32.6 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | cis | -159 | -170.6 | -2.2 | -131 | -45.6 | 0 | 0 | 0 | 106.4 | ||||
| 1126 | M | 32.7 | Very low | 32.5 | Very low | 143 Ų | 143 | 153 Ų | 153 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | cis | -154.6 | 142.7 | 0.2 | -120.9 | -159.1 | -156.9 | 0 | 0 | 107.1 | ||||
| 1127 | K | 32.5 | Very low | 32.4 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 70% | 0.7 | 76% | 0.758 | S | S | * | * | 70.4 | 145.8 | 96 | -81.4 | -167.2 | 175.7 | -175.3 | 0 | 120.8 | |||||
| 1128 | D | 34.2 | Very low | 32.5 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 72.3 | 144.1 | 153.9 | -61 | -5 | 0 | 0 | 0 | 120.6 | ||||
| 1129 | L | 32.6 | Very low | 32.4 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -160.7 | 158.7 | -25 | -149.3 | 82.5 | 0 | 0 | 0 | 112.8 | ||||
| 1130 | N | 30.5 | Very low | 32.6 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | -12.9 | 140.3 | 166.2 | -54.1 | -22.3 | 0 | 0 | 0 | 123 | ||||
| 1131 | N | 32.3 | Very low | 32.4 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 177.5 | 122.1 | 114.8 | -87.3 | -23.8 | 0 | 0 | 0 | 110 | |||||
| 1132 | F | 28.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | 57.9 | 112.3 | 69 | -98.8 | -77.1 | 0 | 0 | 0 | 116.8 | |||||
| 1133 | T | 31.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | -170.3 | 155.9 | 118.1 | -72.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 1134 | I | 28.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | trans | -107 | 147.8 | -170.9 | -62.8 | 156.6 | 0 | 0 | 0 | 110.6 | Q1136 | I1134-Q1136 HydrophobicContact CG2-CG 4.2Š| ||
| 1135 | Q | 32 | Very low | 31.7 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -145.5 | 144.2 | 140.7 | -119.3 | 174.2 | 19.5 | 0 | 0 | 112.1 | ||||
| 1136 | Q | 28.2 | Very low | 31.5 | Very low | 163 Ų | 163 | 151 Ų | 151 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -109.4 | 150.2 | -177.3 | -57.1 | 164.6 | -60.7 | 0 | 0 | 109.6 | I1134 | I1134-Q1136 HydrophobicContact CG2-CG 4.2Š| ||
| 1137 | T | 32.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -141.9 | 137.8 | 145.5 | -24.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1138 | T | 30.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -123.9 | 133.2 | -166.6 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1139 | T | 32.7 | Very low | 31.2 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -154.3 | 118.7 | 149.4 | 24.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1140 | I | 33 | Very low | 31.1 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | 67.6 | 113.5 | 67.8 | -64.5 | 168.2 | 0 | 0 | 0 | 109.2 | |||||
| 1141 | T | 33.2 | Very low | 31.2 | Very low | 128 Ų | 128 | 155 Ų | 155 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | cis | -153 | 171.8 | 13.4 | 5.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1142 | P | 33.8 | Very low | 31.1 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -100.4 | -176.6 | -158 | 41.4 | -39.8 | 0 | 0 | 0 | 116.8 | ||||
| 1143 | N | 29.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -31.7 | 149.7 | 172.8 | -55.3 | 2.3 | 0 | 0 | 0 | 117.5 | ||||
| 1144 | R | 30.1 | Very low | 31.3 | Very low | 293 Ų | 293 | 154.8 Ų | 154.8 | 100% | 1.106 | 81% | 0.808 | S | S | * | * | -108 | 0 | 128.2 | -165.9 | -178.7 | -166 | -167.4 | 4.4 | 108.1 |
Retrieved 1,144 of 1,144 residues in 1445.2 ms
(Link to these results)