| 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 | 42.2 | Very low | 56.6 | Low | 218 Ų | 218 | 114.8 Ų | 114.8 | 100% | 1.074 | 64% | 0.64 | S | S | * | * | 0 | 79.1 | 0 | -122 | 162.8 | 71.9 | 0 | 0 | 104 | |||||
| 2 | D | 46.5 | Very low | 57.9 | Low | 132 Ų | 132 | 114.2 Ų | 114.2 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -130.6 | 38.3 | -169 | -61.8 | -79.3 | 0 | 0 | 0 | 110.1 | S4 | D2-S4 PolarHBondContact O-N 3.42Š| ||
| 3 | T | 52.7 | Low | 59 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.4 | -8.3 | 172.6 | 34.6 | 0 | 0 | 0 | 0 | 112.2 | T7 | T3-T7 PolarHBondContact O-OG1 3.18Å |
| 4 | S | 54.6 | Low | 59.9 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.8 | -33.2 | -173.1 | -161.9 | 0 | 0 | 0 | 0 | 113.9 | D2 | D2-S4 PolarHBondContact O-N 3.42Å |
| 5 | H | 53 | Low | 60.5 | Low | 156 Ų | 156 | 111.7 Ų | 111.7 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.8 | -39.2 | -177.9 | -88.5 | -97.8 | 0 | 0 | 0 | 112.9 | T7 K8 S9 | H5-T7 PolarHBondContact O-N 3.17Å; H5-K8 PolarHBondContact O-N 3.33Å; H5-S9 PolarHBondContact O-N 3.42Å |
| 6 | T | 53.6 | Low | 61.1 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.5 | -40.2 | -177.1 | -43.1 | 0 | 0 | 0 | 0 | 111.8 | K8 S9 C10 | T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 PolarHBondContact O-N 3.47Å; T6-S9 PolarHBondContact O-N 3.1Å; T6-C10 PolarHBondContact O-N 3.32Å; T6-C10 VanDerWaalsContact O-N 3.15Å; T6-C10 PolarHBondContact O-SG 3.47Å; T6-C10 VanDerWaalsContact O-SG 3.41Å |
| 7 | T | 57.6 | Low | 61.5 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66 | -38.2 | 178.3 | -22.4 | 0 | 0 | 0 | 0 | 111.8 | T3 H5 C10 V11 | T3-T7 PolarHBondContact O-OG1 3.18Å; H5-T7 PolarHBondContact O-N 3.17Å; T7-C10 PolarHBondContact O-N 3.41Å; T7-V11 WeakPolarHBondContact O-CB 3.37Å; T7-V11 WeakPolarHBondContact O-CG2 3.42Å; T7-V11 PolarHBondContact O-N 3.15Å |
| 8 | K | 58.2 | Low | 61.7 | Low | 154 Ų | 154 | 108.2 Ų | 108.2 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.6 | -35.7 | -178 | -162.5 | 166.3 | 175.8 | 165.1 | 0 | 111.8 | H5 T6 L12 | H5-K8 PolarHBondContact O-N 3.33Å; T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 PolarHBondContact O-N 3.47Å; K8-L12 VanDerWaalsContact O-CG 3.3Å; K8-L12 WeakPolarHBondContact O-CG 3.46Å; K8-L12 PolarHBondContact O-N 3.32Å |
| 9 | S | 64.4 | Low | 61.8 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69 | -45.7 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | H5 T6 V11 L12 I13 | H5-S9 PolarHBondContact O-N 3.42Å; T6-S9 PolarHBondContact O-N 3.1Å; S9-V11 VanDerWaalsContact C-N 3.34Å; S9-V11 PolarHBondContact O-N 3.45Å; S9-L12 PolarHBondContact O-N 3.48Å; S9-I13 WeakPolarHBondContact O-CG1 3.5Å; S9-I13 PolarHBondContact O-N 3.2Å; S9-I13 VanDerWaalsContact O-N 3.08Å |
| 10 | C | 65.3 | Low | 61.7 | Low | 66 Ų | 66 | 108.1 Ų | 108.1 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.7 | -38.4 | 177.5 | -68.8 | 0 | 0 | 0 | 0 | 113 | T6 T7 L12 I13 L14 | T6-C10 PolarHBondContact O-N 3.32Å; T6-C10 VanDerWaalsContact O-N 3.15Å; T6-C10 PolarHBondContact O-SG 3.47Å; T6-C10 VanDerWaalsContact O-SG 3.41Å; T7-C10 PolarHBondContact O-N 3.41Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-I13 PolarHBondContact O-N 2.77Å; C10-L14 WeakPolarHBondContact O-CG 3.39Å; C10-L14 PolarHBondContact O-N 3.41Å |
| 11 | V | 74.3 | Confident | 61.5 | Low | 78 Ų | 78 | 105.8 Ų | 105.8 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.2 | -39.7 | 177 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | T7 S9 L14 L15 | T7-V11 WeakPolarHBondContact O-CB 3.37Å; T7-V11 WeakPolarHBondContact O-CG2 3.42Å; T7-V11 PolarHBondContact O-N 3.15Å; S9-V11 VanDerWaalsContact C-N 3.34Å; S9-V11 PolarHBondContact O-N 3.45Å; V11-L14 PolarHBondContact O-N 3.01Å; V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 WeakPolarHBondContact O-CB 3.18Å; V11-L15 PolarHBondContact O-N 3.33Å |
| 12 | L | 71.9 | Confident | 62.1 | Low | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.2 | -41.9 | 176.6 | -71.6 | 168.6 | 0 | 0 | 0 | 111.9 | K8 S9 C10 L15 V16 | K8-L12 VanDerWaalsContact O-CG 3.3Å; K8-L12 WeakPolarHBondContact O-CG 3.46Å; K8-L12 PolarHBondContact O-N 3.32Å; S9-L12 PolarHBondContact O-N 3.48Å; C10-L12 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 2.94Å; L12-V16 WeakPolarHBondContact O-CG2 3.35Å; L12-V16 PolarHBondContact O-N 3.45Å |
| 13 | I | 73.1 | Confident | 62.5 | Low | 108 Ų | 108 | 107 Ų | 107 | 55% | 0.554 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 177.4 | -64.7 | 165.3 | 0 | 0 | 0 | 110.8 | S9 C10 V16 A17 | S9-I13 WeakPolarHBondContact O-CG1 3.5Å; S9-I13 PolarHBondContact O-N 3.2Å; S9-I13 VanDerWaalsContact O-N 3.08Å; C10-I13 PolarHBondContact O-N 2.77Å; I13-V16 PolarHBondContact O-N 2.91Å; I13-A17 PolarHBondContact O-N 2.96Å |
| 14 | L | 71.5 | Confident | 62.8 | Low | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 176.4 | -75.7 | 166.4 | 0 | 0 | 0 | 112.4 | C10 V11 A17 L18 | C10-L14 WeakPolarHBondContact O-CG 3.39Å; C10-L14 PolarHBondContact O-N 3.41Å; V11-L14 PolarHBondContact O-N 3.01Å; L14-A17 PolarHBondContact O-N 3.49Å; L14-L18 WeakPolarHBondContact O-CB 3.5Å; L14-L18 WeakPolarHBondContact O-CD1 3.23Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.37Å; L14-L18 PolarHBondContact O-N 3.4Å |
| 15 | L | 68.8 | Low | 63.5 | Low | 89 Ų | 89 | 108.4 Ų | 108.4 | 47% | 0.466 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.9 | -44.7 | 175.1 | -99.7 | 150.4 | 0 | 0 | 0 | 111.9 | V11 L12 L18 L19 | V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 WeakPolarHBondContact O-CB 3.18Å; V11-L15 PolarHBondContact O-N 3.33Å; L12-L15 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.38Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CD1 3.47Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 3.08Å |
| 16 | V | 70.8 | Confident | 65 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -44.4 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | L12 I13 L18 L19 C20 | L12-V16 WeakPolarHBondContact O-CG2 3.35Å; L12-V16 PolarHBondContact O-N 3.45Å; I13-V16 PolarHBondContact O-N 2.91Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 3.33Å; V16-C20 PolarHBondContact O-N 3.29Å; V16-C20 PolarHBondContact O-SG 3.04Å |
| 17 | A | 67.9 | Low | 66.9 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I13 L14 A21 | I13-A17 PolarHBondContact O-N 2.96Å; L14-A17 PolarHBondContact O-N 3.49Å; A17-A21 WeakPolarHBondContact O-CB 3.46Å; A17-A21 PolarHBondContact O-N 3Å; A17-A21 VanDerWaalsContact O-N 3.08Å |
| 18 | L | 65.1 | Low | 68.7 | Low | 123 Ų | 123 | 97.8 Ų | 97.8 | 64% | 0.644 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -75.4 | -33.5 | 176.7 | -73.8 | 167.8 | 0 | 0 | 0 | 113 | L14 L15 V16 C20 A21 | L14-L18 WeakPolarHBondContact O-CB 3.5Å; L14-L18 WeakPolarHBondContact O-CD1 3.23Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.37Å; L14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.38Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.08Å; L18-C20 VanDerWaalsContact C-N 3.35Å; L18-A21 CarbonylContact O-C 3.54Å; L18-A21 VanDerWaalsContact O-C 3.29Å; L18-A21 WeakPolarHBondContact O-CA 3.41Å; L18-A21 WeakPolarHBondContact O-CB 3.26Å; L18-A21 PolarHBondContact O-N 3.45Å; L18-A21 VanDerWaalsContact O-N 3.11Å |
| 19 | L | 62 | Low | 70.6 | Confident | 108 Ų | 108 | 90.4 Ų | 90.4 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -37.3 | 172 | -73.7 | 160.1 | 0 | 0 | 0 | 111 | L15 V16 A21 E22 | L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CD1 3.47Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 3.33Å; L19-A21 PolarHBondContact O-N 3.01Å; L19-E22 WeakPolarHBondContact O-CG 3.46Å; L19-E22 PolarHBondContact O-N 3.23Å |
| 20 | C | 60.1 | Low | 72.2 | Confident | 107 Ų | 107 | 90.7 Ų | 90.7 | 72% | 0.723 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -16.5 | 169.8 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | V16 L18 E22 | V16-C20 PolarHBondContact O-N 3.29Å; V16-C20 PolarHBondContact O-SG 3.04Å; L18-C20 VanDerWaalsContact C-N 3.35Å; C20-E22 PolarHBondContact O-N 3.39Å |
| 21 | A | 58.7 | Low | 73.6 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 50% | 0.496 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 34.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | A17 L18 L19 R23 | A17-A21 WeakPolarHBondContact O-CB 3.46Å; A17-A21 PolarHBondContact O-N 3Å; A17-A21 VanDerWaalsContact O-N 3.08Å; L18-A21 CarbonylContact O-C 3.54Å; L18-A21 VanDerWaalsContact O-C 3.29Å; L18-A21 WeakPolarHBondContact O-CA 3.41Å; L18-A21 WeakPolarHBondContact O-CB 3.26Å; L18-A21 PolarHBondContact O-N 3.45Å; L18-A21 VanDerWaalsContact O-N 3.11Å; L19-A21 PolarHBondContact O-N 3.01Å; A21-R23 VanDerWaalsContact C-N 3.34Å; A21-R23 PolarHBondContact O-N 3.29Å |
| 22 | E | 53.7 | Low | 74.7 | Confident | 160 Ų | 160 | 87.4 Ų | 87.4 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | trans | -47.3 | 108.3 | 158.5 | -96 | 163.6 | 154.5 | 0 | 0 | 106.9 | L19 C20 A24 | L19-E22 WeakPolarHBondContact O-CG 3.46Å; L19-E22 PolarHBondContact O-N 3.23Å; C20-E22 PolarHBondContact O-N 3.39Å; E22-A24 PolarHBondContact O-N 2.98Å | ||
| 23 | R | 54.5 | Low | 75.9 | Confident | 214 Ų | 214 | 88.7 Ų | 88.7 | 81% | 0.808 | 47% | 0.467 | S | S | * | . | trans | -57.8 | 104.8 | 167.2 | -70.9 | -167.9 | -175.7 | -139.6 | 3.3 | 104.1 | A21 Q25 | A21-R23 VanDerWaalsContact C-N 3.34Å; A21-R23 PolarHBondContact O-N 3.29Å; R23-Q25 HydrophobicContact CB-CG 3.8Å; R23-Q25 PolarHBondContact O-N 3.39Å | ||
| 24 | A | 60.5 | Low | 76.9 | Confident | 75 Ų | 75 | 85.6 Ų | 85.6 | 62% | 0.62 | 46% | 0.461 | S | S | * | . | trans | -60.3 | 72.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | E22 G26 A48 | E22-A24 PolarHBondContact O-N 2.98Å; A24-G26 VanDerWaalsContact C-N 3.33Å; A24-G26 PolarHBondContact O-N 3.2Å; A24-A48 HydrophobicContact CB-CB 4.24Å | ||
| 25 | Q | 69.6 | Low | 78 | Confident | 164 Ų | 164 | 82 Ų | 82 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | trans | -58 | 109.6 | 166.4 | -64.5 | 174.5 | 32 | 0 | 0 | 102.7 | R23 L27 | R23-Q25 HydrophobicContact CB-CG 3.8Å; R23-Q25 PolarHBondContact O-N 3.39Å; Q25-L27 PolarHBondContact O-N 3.29Å | ||
| 26 | G | 83.2 | Confident | 79.2 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 12% | 0.124 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -56 | 142.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A24 Q28 | A24-G26 VanDerWaalsContact C-N 3.33Å; A24-G26 PolarHBondContact O-N 3.2Å; G26-Q28 PolarHBondContact O-N 3.37Å |
| 27 | L | 93.6 | Very high | 80.2 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.131 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -46.5 | 133.3 | 175.5 | -174 | 68.9 | 0 | 0 | 0 | 109.7 | Q25 C46 | Q25-L27 PolarHBondContact O-N 3.29Å; L27-C46 HydrophobicContact CB-CB 4.29Å; L27-C46 WeakPolarHBondContact O-CB 3.41Å; L27-C46 PolarHBondContact O-N 2.99Å; L27-C46 PolarHBondContact O-SG 3.3Å |
| 28 | Q | 96.5 | Very high | 81.2 | Confident | 80 Ų | 80 | 82.6 Ų | 82.6 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.5 | 171.4 | -64.6 | -162.2 | -46 | 0 | 0 | 109.5 | G26 V44 C53 D99 L100 | G26-Q28 PolarHBondContact O-N 3.37Å; Q28-V44 CarbonylContact C-O 3.29Å; Q28-V44 VanDerWaalsContact CA-O 3.31Å; Q28-V44 WeakPolarHBondContact CA-O 3.28Å; Q28-C53 PolarHBondContact O-SG 3.1Å; Q28-C53 VanDerWaalsContact O-SG 3.41Å; Q28-D99 HydrophobicContact CB-CB 4.22Å; Q28-D99 PolarHBondContact N-OD1 2.78Å; Q28-D99 CarbonylContact O-C 3.56Å; Q28-D99 WeakPolarHBondContact O-CA 3.2Å; Q28-L100 HydrophobicContact CB-CD2 3.85Å; Q28-L100 HydrophobicContact CB-CG 4.17Å; Q28-L100 PolarHBondContact O-N 2.83Å |
| 29 | C | 97.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160.1 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | A43 V44 C46 C53 | C29-A43 CarbonylContact O-C 3.56Å; C29-A43 WeakPolarHBondContact O-CA 3.15Å; C29-V44 PolarHBondContact N-O 3.41Å; C29-V44 PolarHBondContact O-N 3.45Å; C29-C46 PolarHBondContact SG-SG 2.92Å; C29-C53 HydrophobicContact CB-CB 3.8Å; C29-C53 WeakPolarHBondContact CB-SG 3.35Å; C29-C53 WeakPolarHBondContact SG-CA 3.35Å; C29-C53 WeakPolarHBondContact SG-CB 3.37Å; C29-C53 CovalentContact SG-SG 2.02Å; C29-C53 PolarHBondContact SG-SG 3.35Å |
| 30 | Y | 97.6 | Very high | 84 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 142.4 | 163 | -67.5 | -69.5 | 0 | 0 | 0 | 110.7 | C41 P42 A43 R72 Q73 L100 N102 A103 | Y30-C41 WeakPolarHBondContact CD1-O 3.49Å; Y30-P42 WeakPolarHBondContact CA-O 3Å; Y30-A43 HydrophobicContact CD1-CB 4.29Å; Y30-A43 HydrophobicContact CE1-CB 4.18Å; Y30-R72 CarbonylContact O-C 3.52Å; Y30-R72 WeakPolarHBondContact O-CB 3.28Å; Y30-Q73 PolarHBondContact O-N 2.02Å; Y30-L100 HydrophobicContact CD2-CB 4.47Å; Y30-L100 HydrophobicContact CE2-CB 3.87Å; Y30-L100 HydrophobicContact CE2-CD2 4.3Å; Y30-N102 WeakPolarHBondContact CB-OD1 3.48Å; Y30-N102 WeakPolarHBondContact CD2-OD1 3.46Å; Y30-N102 PolarHBondContact N-OD1 2.84Å; Y30-N102 PolarHBondContact O-ND2 3.1Å; Y30-A103 HydrophobicContact CD2-CB 4.11Å; Y30-A103 HydrophobicContact CE2-CB 3.66Å |
| 31 | E | 96.2 | Very high | 85.7 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 29% | 0.29 | 40% | 0.399 | S | S | . | . | trans | -134 | 127 | 180 | -171.2 | 171.6 | -126.9 | 0 | 0 | 113.3 | Y33 P42 V44 R72 | E31-Y33 HydrophobicContact CG-CE2 3.72Å; E31-Y33 PolarHBondContact OE1-OH 3.11Å; E31-P42 PolarHBondContact N-O 2.69Å; E31-P42 VanDerWaalsContact O-CD 3.28Å; E31-P42 WeakPolarHBondContact O-CD 3.45Å; E31-V44 HydrophobicContact CB-CB 4.49Å; E31-V44 HydrophobicContact CB-CG1 3.99Å; E31-V44 HydrophobicContact CB-CG2 3.63Å; E31-R72 CarbonylContact C-O 3.57Å; E31-R72 VanDerWaalsContact CA-O 3.24Å; E31-R72 WeakPolarHBondContact CA-O 3.36Å | ||
| 32 | C | 96.9 | Very high | 87.6 | Confident | 14 Ų | 14 | 76 Ų | 76 | 10% | 0.095 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 156.2 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | V35 C41 T71 R72 | C32-V35 HydrophobicContact CB-CG1 4.37Å; C32-V35 HydrophobicContact CB-CG2 3.92Å; C32-C41 HydrophobicContact CB-CB 3.58Å; C32-C41 WeakPolarHBondContact CB-SG 3.06Å; C32-C41 WeakPolarHBondContact SG-CB 3.3Å; C32-C41 CovalentContact SG-SG 2.02Å; C32-C41 PolarHBondContact SG-SG 2.94Å; C32-T71 CarbonylContact O-C 3.59Å; C32-T71 VanDerWaalsContact O-CA 3.29Å; C32-T71 WeakPolarHBondContact O-CA 3.1Å; C32-R72 PolarHBondContact N-O 2.72Å; C32-R72 PolarHBondContact O-N 3.41Å |
| 33 | Y | 95.9 | Very high | 89.6 | Confident | 134 Ų | 134 | 71 Ų | 71 | 53% | 0.525 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.8 | -171.9 | -61.5 | -87.4 | 0 | 0 | 0 | 111.2 | E31 V35 T71 Q73 | E31-Y33 HydrophobicContact CG-CE2 3.72Å; E31-Y33 PolarHBondContact OE1-OH 3.11Å; Y33-V35 PolarHBondContact O-N 2.91Å; Y33-V35 VanDerWaalsContact O-N 3.08Å; Y33-T71 HydrophobicContact CD1-CG2 3.88Å; Y33-T71 HydrophobicContact CE1-CG2 4.36Å; Y33-Q73 HydrophobicContact CE1-CB 4.15Å |
| 34 | G | 94.1 | Very high | 91.6 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.6 | 26.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K70 T71 | G34-K70 WeakPolarHBondContact CA-O 3.02Å; G34-K70 PolarHBondContact N-O 2.85Å; G34-T71 PolarHBondContact N-OG1 2.02Å; G34-T71 VanDerWaalsContact N-OG1 3.1Å |
| 35 | V | 95.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 156.5 | -178.5 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | C32 Y33 T39 L69 K70 | C32-V35 HydrophobicContact CB-CG1 4.37Å; C32-V35 HydrophobicContact CB-CG2 3.92Å; Y33-V35 PolarHBondContact O-N 2.91Å; Y33-V35 VanDerWaalsContact O-N 3.08Å; V35-T39 HydrophobicContact CB-CG2 4.02Å; V35-T39 HydrophobicContact CG1-CG2 4.39Å; V35-T39 HydrophobicContact CG2-CG2 4.12Å; V35-L69 CarbonylContact O-C 3.57Å; V35-L69 VanDerWaalsContact O-CA 3.3Å; V35-L69 WeakPolarHBondContact O-CA 3.41Å; V35-K70 HydrophobicContact CG2-CG 3.79Å; V35-K70 PolarHBondContact N-O 2.91Å; V35-K70 PolarHBondContact O-N 2.88Å |
| 36 | P | 94 | Very high | 94.5 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 146.3 | 169.4 | -26.4 | 34.5 | 0 | 0 | 0 | 112.2 | E38 T39 | P36-E38 PolarHBondContact O-N 3.43Å; P36-E38 VanDerWaalsContact O-N 3.07Å; P36-T39 WeakPolarHBondContact CD-OG1 3.49Å; P36-T39 VanDerWaalsContact O-CB 3.3Å; P36-T39 WeakPolarHBondContact O-CB 3.49Å; P36-T39 PolarHBondContact O-N 2.9Å; P36-T39 PolarHBondContact O-OG1 3.11Å |
| 37 | I | 91.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 18% | 0.179 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27 | -174.5 | -160.9 | 163.3 | 0 | 0 | 0 | 113.8 | K68 K70 | I37-K68 HydrophobicContact CB-CB 4.28Å; I37-K68 HydrophobicContact CG2-CB 4.2Å; I37-K68 PolarHBondContact N-O 3.08Å; I37-K70 HydrophobicContact CG1-CD 4.36Å; I37-K70 WeakPolarHBondContact O-CE 3.09Å; I37-K70 PolarHBondContact O-NZ 3.43Å |
| 38 | E | 90.3 | Very high | 94.5 | Very high | 142 Ų | 142 | 66.8 Ų | 66.8 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.2 | 179.2 | -50.4 | -54.9 | 159.5 | 0 | 0 | 113.4 | P36 S40 | P36-E38 PolarHBondContact O-N 3.43Å; P36-E38 VanDerWaalsContact O-N 3.07Å; E38-S40 PolarHBondContact O-N 2.78Å |
| 39 | T | 92.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -69 | 124.1 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | V35 P36 K70 | V35-T39 HydrophobicContact CB-CG2 4.02Å; V35-T39 HydrophobicContact CG1-CG2 4.39Å; V35-T39 HydrophobicContact CG2-CG2 4.12Å; P36-T39 WeakPolarHBondContact CD-OG1 3.49Å; P36-T39 VanDerWaalsContact O-CB 3.3Å; P36-T39 WeakPolarHBondContact O-CB 3.49Å; P36-T39 PolarHBondContact O-N 2.9Å; P36-T39 PolarHBondContact O-OG1 3.11Å; T39-K70 WeakPolarHBondContact O-CE 3.36Å; T39-K70 PolarHBondContact O-NZ 2.88Å |
| 40 | S | 93.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 67.9 Ų | 67.9 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | trans | -65.2 | 139.9 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | E38 | E38-S40 PolarHBondContact O-N 2.78Š| ||
| 41 | C | 95.9 | Very high | 93.6 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.054 | 40% | 0.395 | C | S | . | . | trans | -106.6 | 133.8 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 108 | Y30 C32 K70 | Y30-C41 WeakPolarHBondContact CD1-O 3.49Å; C32-C41 HydrophobicContact CB-CB 3.58Å; C32-C41 WeakPolarHBondContact CB-SG 3.06Å; C32-C41 WeakPolarHBondContact SG-CB 3.3Å; C32-C41 CovalentContact SG-SG 2.02Å; C32-C41 PolarHBondContact SG-SG 2.94Å; C41-K70 VanDerWaalsContact SG-CE 3.58Å | ||
| 42 | P | 96.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | trans | -65.5 | 151.4 | 175.5 | 27.9 | -36.3 | 0 | 0 | 0 | 111.3 | Y30 E31 | Y30-P42 WeakPolarHBondContact CA-O 3Å; E31-P42 PolarHBondContact N-O 2.69Å; E31-P42 VanDerWaalsContact O-CD 3.28Å; E31-P42 WeakPolarHBondContact O-CD 3.45Å | ||
| 43 | A | 97 | Very high | 93.5 | Very high | 56 Ų | 56 | 66 Ų | 66 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 138.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | C29 Y30 L100 | C29-A43 CarbonylContact O-C 3.56Å; C29-A43 WeakPolarHBondContact O-CA 3.15Å; Y30-A43 HydrophobicContact CD1-CB 4.29Å; Y30-A43 HydrophobicContact CE1-CB 4.18Å; A43-L100 HydrophobicContact CB-CD2 3.65Å |
| 44 | V | 95.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.2 | 177.7 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | Q28 C29 E31 | Q28-V44 CarbonylContact C-O 3.29Å; Q28-V44 VanDerWaalsContact CA-O 3.31Å; Q28-V44 WeakPolarHBondContact CA-O 3.28Å; C29-V44 PolarHBondContact N-O 3.41Å; C29-V44 PolarHBondContact O-N 3.45Å; E31-V44 HydrophobicContact CB-CB 4.49Å; E31-V44 HydrophobicContact CB-CG1 3.99Å; E31-V44 HydrophobicContact CB-CG2 3.63Å |
| 45 | T | 96.2 | Very high | 93.5 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 55% | 0.546 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.3 | 168 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 46 | C | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 165.1 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | L27 C29 D50 C74 | L27-C46 HydrophobicContact CB-CB 4.29Å; L27-C46 WeakPolarHBondContact O-CB 3.41Å; L27-C46 PolarHBondContact O-N 2.99Å; L27-C46 PolarHBondContact O-SG 3.3Å; C29-C46 PolarHBondContact SG-SG 2.92Å; C46-D50 HydrophobicContact CB-CB 3.97Å; C46-C74 WeakPolarHBondContact CA-SG 3.31Å; C46-C74 HydrophobicContact CB-CB 3.61Å; C46-C74 WeakPolarHBondContact CB-SG 2.94Å; C46-C74 WeakPolarHBondContact SG-CB 3.43Å; C46-C74 CovalentContact SG-SG 2.03Å; C46-C74 PolarHBondContact SG-SG 3.47Å |
| 47 | R | 92.2 | Very high | 93.4 | Very high | 186 Ų | 186 | 56.7 Ų | 56.7 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 154.3 | 171 | -59.9 | 177.8 | -177.8 | 148.3 | 2.1 | 109.6 | S49 D50 | R47-S49 PolarHBondContact O-N 2.74Å; R47-S49 VanDerWaalsContact O-N 3.11Å; R47-D50 WeakPolarHBondContact CB-OD2 3.46Å; R47-D50 WeakPolarHBondContact O-CB 3.41Å; R47-D50 PolarHBondContact O-N 2.03Å |
| 48 | A | 85.9 | Confident | 93.4 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A24 D50 | A24-A48 HydrophobicContact CB-CB 4.24Å; A48-D50 VanDerWaalsContact C-N 3.32Å |
| 49 | S | 88.3 | Confident | 93.5 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.8 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | R47 S76 | R47-S49 PolarHBondContact O-N 2.74Å; R47-S49 VanDerWaalsContact O-N 3.11Å; S49-S76 WeakPolarHBondContact O-CA 3.02Å; S49-S76 WeakPolarHBondContact O-CB 3.29Å |
| 50 | D | 91.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | trans | -98.3 | 101.2 | -172 | -61.9 | -20.8 | 0 | 0 | 0 | 109.5 | C46 R47 A48 C74 S76 | C46-D50 HydrophobicContact CB-CB 3.97Å; R47-D50 WeakPolarHBondContact CB-OD2 3.46Å; R47-D50 WeakPolarHBondContact O-CB 3.41Å; R47-D50 PolarHBondContact O-N 2.03Å; A48-D50 VanDerWaalsContact C-N 3.32Å; D50-C74 HydrophobicContact CB-CB 4.09Å; D50-S76 PolarHBondContact OD1-N 3.35Å | ||
| 51 | G | 91.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | trans | -93 | 0.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L75 S97 | G51-L75 PolarHBondContact N-O 2.97Å; G51-S97 WeakPolarHBondContact O-CB 3.35Å | ||
| 52 | F | 95.2 | Very high | 92.7 | Very high | 71 Ų | 71 | 54 Ų | 54 | 31% | 0.311 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.6 | -174.3 | -60.2 | -83.6 | 0 | 0 | 0 | 113.1 | I54 L75 C96 | F52-I54 HydrophobicContact CB-CD1 4.14Å; F52-L75 PolarHBondContact N-O 3.24Å; F52-L75 PolarHBondContact O-N 3.14Å; F52-C96 CarbonylContact C-O 3.58Å; F52-C96 WeakPolarHBondContact CA-O 3.47Å |
| 53 | C | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130.3 | 160.3 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | Q28 C29 C95 C96 N102 | Q28-C53 PolarHBondContact O-SG 3.1Å; Q28-C53 VanDerWaalsContact O-SG 3.41Å; C29-C53 HydrophobicContact CB-CB 3.8Å; C29-C53 WeakPolarHBondContact CB-SG 3.35Å; C29-C53 WeakPolarHBondContact SG-CA 3.35Å; C29-C53 WeakPolarHBondContact SG-CB 3.37Å; C29-C53 CovalentContact SG-SG 2.02Å; C29-C53 PolarHBondContact SG-SG 3.35Å; C53-C95 WeakPolarHBondContact O-CA 3.35Å; C53-C96 PolarHBondContact N-O 3.18Å; C53-C96 PolarHBondContact O-N 3.23Å; C53-N102 HydrophobicContact CB-CB 3.67Å |
| 54 | I | 95.3 | Very high | 91 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.9 | 178 | -49 | -59.8 | 0 | 0 | 0 | 109.6 | F52 R72 Q73 L75 T93 C95 N102 | F52-I54 HydrophobicContact CB-CD1 4.14Å; I54-R72 WeakPolarHBondContact O-CA 3.35Å; I54-Q73 HydrophobicContact CB-CG 3.83Å; I54-Q73 HydrophobicContact CG1-CG 4.17Å; I54-Q73 HydrophobicContact CG2-CG 4.42Å; I54-Q73 PolarHBondContact N-O 2.94Å; I54-Q73 PolarHBondContact O-N 2.79Å; I54-L75 HydrophobicContact CD1-CB 4.29Å; I54-L75 HydrophobicContact CD1-CD1 4.29Å; I54-L75 HydrophobicContact CG1-CB 3.96Å; I54-L75 HydrophobicContact CG1-CD1 3.77Å; I54-L75 HydrophobicContact CG1-CG 3.85Å; I54-T93 HydrophobicContact CG2-CG2 4.07Å; I54-C95 HydrophobicContact CD1-CB 3.96Å; I54-C95 WeakPolarHBondContact CD1-SG 3.35Å; I54-N102 PolarHBondContact O-ND2 3.46Å |
| 55 | A | 95 | Very high | 90.5 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 112.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T93 S94 N102 | A55-T93 CarbonylContact O-C 3.49Å; A55-T93 WeakPolarHBondContact O-CA 3.43Å; A55-S94 PolarHBondContact N-O 2.82Å; A55-S94 PolarHBondContact O-N 3.09Å; A55-S94 PolarHBondContact O-OG 2.94Å; A55-N102 HydrophobicContact CB-CB 4.09Å |
| 56 | Q | 93.1 | Very high | 90.1 | Very high | 44 Ų | 44 | 68 Ų | 68 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.4 | 173.9 | -179.4 | -176.3 | 56.2 | 0 | 0 | 109.1 | I58 K70 T71 R72 E91 R92 | Q56-I58 HydrophobicContact CG-CD1 4.46Å; Q56-I58 HydrophobicContact CG-CG1 4.18Å; Q56-K70 CarbonylContact O-C 3.54Å; Q56-K70 VanDerWaalsContact O-CA 3.29Å; Q56-K70 WeakPolarHBondContact O-CA 3.24Å; Q56-T71 PolarHBondContact N-O 2.81Å; Q56-T71 PolarHBondContact O-N 3.29Å; Q56-T71 VanDerWaalsContact O-O 3.13Å; Q56-R72 PolarHBondContact O-NH1 3.48Å; Q56-E91 HydrophobicContact CG-CG 4.25Å; Q56-E91 PolarHBondContact NE2-OE1 2.68Å; Q56-R92 CarbonylContact C-O 3.58Å; Q56-R92 WeakPolarHBondContact CA-O 3.47Å |
| 57 | N | 92.4 | Very high | 90 | Very high | 41 Ų | 41 | 74.1 Ų | 74.1 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.4 | 173.1 | -54.9 | -59.8 | 0 | 0 | 0 | 108.5 | L69 K70 R72 E91 R92 | N57-L69 CarbonylContact C-O 3.58Å; N57-L69 WeakPolarHBondContact CA-O 3.29Å; N57-K70 WeakPolarHBondContact OD1-CB 3.26Å; N57-R72 PolarHBondContact OD1-NH1 3.3Å; N57-R72 PolarHBondContact OD1-NH2 2.97Å; N57-E91 WeakPolarHBondContact O-CA 3.2Å; N57-R92 PolarHBondContact N-O 3.1Å; N57-R92 PolarHBondContact O-N 3.01Å |
| 58 | I | 91.1 | Very high | 90 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 22% | 0.221 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127 | -178 | -56 | 174.8 | 0 | 0 | 0 | 107.7 | Q56 L60 K68 L69 I89 R90 E91 | Q56-I58 HydrophobicContact CG-CD1 4.46Å; Q56-I58 HydrophobicContact CG-CG1 4.18Å; I58-L60 HydrophobicContact CG2-CD2 3.89Å; I58-L60 HydrophobicContact CG2-CG 4.12Å; I58-K68 CarbonylContact O-C 3.35Å; I58-K68 WeakPolarHBondContact O-CA 3.18Å; I58-L69 PolarHBondContact N-O 2.82Å; I58-L69 PolarHBondContact O-N 3.05Å; I58-I89 HydrophobicContact CG2-CG2 4.01Å; I58-R90 CarbonylContact C-O 3.55Å; I58-R90 WeakPolarHBondContact CA-O 3.3Å; I58-E91 HydrophobicContact CG1-CG 4.34Å |
| 59 | E | 92.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.3 | 169.6 | 177.5 | 175.5 | -137.2 | 0 | 0 | 108.3 | R66 R67 K68 I89 R90 | E59-R66 WeakPolarHBondContact OE1-CD 3.45Å; E59-R66 IonicContact OE1-NH1 3.99Å; E59-R67 CarbonylContact C-O 3.57Å; E59-R67 WeakPolarHBondContact CA-O 3.45Å; E59-K68 HydrophobicContact CB-CG 4.28Å; E59-K68 HydrophobicContact CG-CG 4.22Å; E59-K68 VanDerWaalsContact OE1-CE 3.27Å; E59-K68 WeakPolarHBondContact OE1-CE 3.09Å; E59-I89 WeakPolarHBondContact O-CA 3.48Å; E59-R90 HydrophobicContact CB-CB 4.2Å; E59-R90 PolarHBondContact N-O 2.89Å; E59-R90 PolarHBondContact O-N 2.8Å; E59-R90 WeakPolarHBondContact OE2-CD 2.89Å; E59-R90 IonicContact OE2-NH1 3.99Å |
| 60 | L | 91.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130 | 176.2 | -57.6 | 169.3 | 0 | 0 | 0 | 108.6 | I58 R66 R67 L69 I89 | I58-L60 HydrophobicContact CG2-CD2 3.89Å; I58-L60 HydrophobicContact CG2-CG 4.12Å; L60-R66 WeakPolarHBondContact O-CA 3.02Å; L60-R67 HydrophobicContact CB-CB 4.4Å; L60-R67 PolarHBondContact N-O 3.27Å; L60-R67 PolarHBondContact O-N 2.8Å; L60-L69 HydrophobicContact CD1-CD1 4.02Å; L60-I89 HydrophobicContact CD2-CB 4.49Å; L60-I89 HydrophobicContact CD2-CD1 4.21Å; L60-I89 HydrophobicContact CD2-CG1 3.88Å; L60-I89 HydrophobicContact CD2-CG2 4.15Å |
| 61 | I | 89.9 | Confident | 90.8 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 105.9 | 178.8 | -54.3 | 171.1 | 0 | 0 | 0 | 107.4 | N88 | I61-N88 HydrophobicContact CB-CB 4.33Å; I61-N88 PolarHBondContact N-O 2Å; I61-N88 WeakPolarHBondContact O-CB 3.31Å |
| 62 | E | 85.6 | Confident | 91.1 | Very high | 119 Ų | 119 | 63.1 Ų | 63.1 | 56% | 0.556 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 114.2 | 177.8 | -169.4 | 175.4 | -160.8 | 0 | 0 | 108.4 | S64 Q65 | E62-S64 VanDerWaalsContact C-N 3.26Å; E62-S64 PolarHBondContact O-N 3.06Å; E62-Q65 PolarHBondContact N-O 3.06Å; E62-Q65 PolarHBondContact O-N 3.06Å |
| 63 | D | 79.1 | Confident | 91.1 | Very high | 166 Ų | 166 | 61.6 Ų | 61.6 | 89% | 0.888 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -75.5 | -172.9 | -55.9 | -40.9 | 0 | 0 | 0 | 114.3 | ||
| 64 | S | 78.4 | Confident | 91.1 | Very high | 109 Ų | 109 | 62.3 Ų | 62.3 | 76% | 0.762 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.8 | -6.6 | 178.8 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | E62 | E62-S64 VanDerWaalsContact C-N 3.26Å; E62-S64 PolarHBondContact O-N 3.06Å |
| 65 | Q | 84.9 | Confident | 91.1 | Very high | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136.1 | 178.2 | -65.9 | -172.6 | 13.5 | 0 | 0 | 110.3 | E62 | E62-Q65 PolarHBondContact N-O 3.06Å; E62-Q65 PolarHBondContact O-N 3.06Å |
| 66 | R | 88.9 | Confident | 91.1 | Very high | 167 Ų | 167 | 67.2 Ų | 67.2 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.7 | 173 | -61.3 | -171.7 | -174.1 | -179.5 | 4.7 | 109.2 | E59 L60 | E59-R66 WeakPolarHBondContact OE1-CD 3.45Å; E59-R66 IonicContact OE1-NH1 3.99Å; L60-R66 WeakPolarHBondContact O-CA 3.02Å |
| 67 | R | 91.5 | Very high | 91.1 | Very high | 137 Ų | 137 | 70.7 Ų | 70.7 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.4 | 174.2 | -64.2 | -175.4 | -179.3 | 176.2 | 4.8 | 109.1 | E59 L60 | E59-R67 CarbonylContact C-O 3.57Å; E59-R67 WeakPolarHBondContact CA-O 3.45Å; L60-R67 HydrophobicContact CB-CB 4.4Å; L60-R67 PolarHBondContact N-O 3.27Å; L60-R67 PolarHBondContact O-N 2.8Å |
| 68 | K | 92.6 | Very high | 91.1 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.2 | 177.8 | -66.8 | -178.9 | -177.7 | 176.3 | 0 | 109.8 | I37 I58 E59 | I37-K68 HydrophobicContact CB-CB 4.28Å; I37-K68 HydrophobicContact CG2-CB 4.2Å; I37-K68 PolarHBondContact N-O 3.08Å; I58-K68 CarbonylContact O-C 3.35Å; I58-K68 WeakPolarHBondContact O-CA 3.18Å; E59-K68 HydrophobicContact CB-CG 4.28Å; E59-K68 HydrophobicContact CG-CG 4.22Å; E59-K68 VanDerWaalsContact OE1-CE 3.27Å; E59-K68 WeakPolarHBondContact OE1-CE 3.09Å |
| 69 | L | 93.6 | Very high | 90.9 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 154.4 | 178.8 | -56.5 | 178.9 | 0 | 0 | 0 | 109.6 | V35 N57 I58 L60 | V35-L69 CarbonylContact O-C 3.57Å; V35-L69 VanDerWaalsContact O-CA 3.3Å; V35-L69 WeakPolarHBondContact O-CA 3.41Å; N57-L69 CarbonylContact C-O 3.58Å; N57-L69 WeakPolarHBondContact CA-O 3.29Å; I58-L69 PolarHBondContact N-O 2.82Å; I58-L69 PolarHBondContact O-N 3.05Å; L60-L69 HydrophobicContact CD1-CD1 4.02Å |
| 70 | K | 94.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 74.6 Ų | 74.6 | 5% | 0.048 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148 | 173.3 | 67.8 | 177.1 | 175.2 | -171.6 | 0 | 111.8 | G34 V35 I37 T39 C41 Q56 N57 | G34-K70 WeakPolarHBondContact CA-O 3.02Å; G34-K70 PolarHBondContact N-O 2.85Å; V35-K70 HydrophobicContact CG2-CG 3.79Å; V35-K70 PolarHBondContact N-O 2.91Å; V35-K70 PolarHBondContact O-N 2.88Å; I37-K70 HydrophobicContact CG1-CD 4.36Å; I37-K70 WeakPolarHBondContact O-CE 3.09Å; I37-K70 PolarHBondContact O-NZ 3.43Å; T39-K70 WeakPolarHBondContact O-CE 3.36Å; T39-K70 PolarHBondContact O-NZ 2.88Å; C41-K70 VanDerWaalsContact SG-CE 3.58Å; Q56-K70 CarbonylContact O-C 3.54Å; Q56-K70 VanDerWaalsContact O-CA 3.29Å; Q56-K70 WeakPolarHBondContact O-CA 3.24Å; N57-K70 WeakPolarHBondContact OD1-CB 3.26Å |
| 71 | T | 95.1 | Very high | 89.4 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.1 | 167.1 | -64.3 | 0 | 0 | 0 | 0 | 107.9 | C32 Y33 G34 Q56 Q73 | C32-T71 CarbonylContact O-C 3.59Å; C32-T71 VanDerWaalsContact O-CA 3.29Å; C32-T71 WeakPolarHBondContact O-CA 3.1Å; Y33-T71 HydrophobicContact CD1-CG2 3.88Å; Y33-T71 HydrophobicContact CE1-CG2 4.36Å; G34-T71 PolarHBondContact N-OG1 2.02Å; G34-T71 VanDerWaalsContact N-OG1 3.1Å; Q56-T71 PolarHBondContact N-O 2.81Å; Q56-T71 PolarHBondContact O-N 3.29Å; Q56-T71 VanDerWaalsContact O-O 3.13Å; T71-Q73 HydrophobicContact CG2-CG 4.35Å |
| 72 | R | 96.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 77.8 Ų | 77.8 | 2% | 0.019 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.3 | 174.1 | -58.9 | -66.2 | -179.1 | -95.6 | -2.1 | 106.1 | Y30 E31 C32 I54 Q56 N57 N102 A104 | Y30-R72 CarbonylContact O-C 3.52Å; Y30-R72 WeakPolarHBondContact O-CB 3.28Å; E31-R72 CarbonylContact C-O 3.57Å; E31-R72 VanDerWaalsContact CA-O 3.24Å; E31-R72 WeakPolarHBondContact CA-O 3.36Å; C32-R72 PolarHBondContact N-O 2.72Å; C32-R72 PolarHBondContact O-N 3.41Å; I54-R72 WeakPolarHBondContact O-CA 3.35Å; Q56-R72 PolarHBondContact O-NH1 3.48Å; N57-R72 PolarHBondContact OD1-NH1 3.3Å; N57-R72 PolarHBondContact OD1-NH2 2.97Å; R72-N102 VanDerWaalsContact CD-O 3.31Å; R72-N102 WeakPolarHBondContact CD-O 3.36Å; R72-N102 PolarHBondContact NE-O 2.73Å; R72-N102 VanDerWaalsContact NE-O 3.09Å; R72-A104 PolarHBondContact NH2-O 3.27Å |
| 73 | Q | 96.1 | Very high | 87.9 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 19% | 0.187 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 161.9 | -174.8 | 58.9 | -174 | -31.6 | 0 | 0 | 111.9 | Y30 Y33 I54 T71 L75 | Y30-Q73 PolarHBondContact O-N 2.02Å; Y33-Q73 HydrophobicContact CE1-CB 4.15Å; I54-Q73 HydrophobicContact CB-CG 3.83Å; I54-Q73 HydrophobicContact CG1-CG 4.17Å; I54-Q73 HydrophobicContact CG2-CG 4.42Å; I54-Q73 PolarHBondContact N-O 2.94Å; I54-Q73 PolarHBondContact O-N 2.79Å; T71-Q73 HydrophobicContact CG2-CG 4.35Å; Q73-L75 HydrophobicContact CG-CG 4.41Å |
| 74 | C | 96.3 | Very high | 88 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 10% | 0.095 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 136.7 | 168.4 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | C46 D50 | C46-C74 WeakPolarHBondContact CA-SG 3.31Å; C46-C74 HydrophobicContact CB-CB 3.61Å; C46-C74 WeakPolarHBondContact CB-SG 2.94Å; C46-C74 WeakPolarHBondContact SG-CB 3.43Å; C46-C74 CovalentContact SG-SG 2.03Å; C46-C74 PolarHBondContact SG-SG 3.47Å; D50-C74 HydrophobicContact CB-CB 4.09Å |
| 75 | L | 95.4 | Very high | 88.3 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 22% | 0.22 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.1 | 167.6 | -70.2 | -177.3 | 0 | 0 | 0 | 111.6 | G51 F52 I54 Q73 F77 P79 | G51-L75 PolarHBondContact N-O 2.97Å; F52-L75 PolarHBondContact N-O 3.24Å; F52-L75 PolarHBondContact O-N 3.14Å; I54-L75 HydrophobicContact CD1-CB 4.29Å; I54-L75 HydrophobicContact CD1-CD1 4.29Å; I54-L75 HydrophobicContact CG1-CB 3.96Å; I54-L75 HydrophobicContact CG1-CD1 3.77Å; I54-L75 HydrophobicContact CG1-CG 3.85Å; Q73-L75 HydrophobicContact CG-CG 4.41Å; L75-F77 VanDerWaalsContact CB-O 3.3Å; L75-F77 WeakPolarHBondContact CB-O 3.38Å; L75-F77 PolarHBondContact O-N 3.05Å; L75-P79 HydrophobicContact CD1-CG 4.3Å |
| 76 | S | 94.3 | Very high | 88.4 | Confident | 66 Ų | 66 | 77 Ų | 77 | 46% | 0.462 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -73.4 | -14.2 | 172.3 | 59.2 | 0 | 0 | 0 | 0 | 114 | S49 D50 | S49-S76 WeakPolarHBondContact O-CA 3.02Å; S49-S76 WeakPolarHBondContact O-CB 3.29Å; D50-S76 PolarHBondContact OD1-N 3.35Å |
| 77 | F | 93.6 | Very high | 88.2 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -143 | 158.3 | 177.3 | 68.1 | -83.4 | 0 | 0 | 0 | 111 | L75 P79 | L75-F77 VanDerWaalsContact CB-O 3.3Å; L75-F77 WeakPolarHBondContact CB-O 3.38Å; L75-F77 PolarHBondContact O-N 3.05Å; F77-P79 HydrophobicContact CD2-CB 4.5Å; F77-P79 HydrophobicContact CE2-CB 3.96Å; F77-P79 WeakPolarHBondContact O-CD 2.93Å |
| 78 | C | 92.1 | Very high | 88.1 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 43% | 0.426 | 41% | 0.405 | S | S | . | . | trans | -88.9 | 113.1 | 170 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | A80 C95 | C78-A80 PolarHBondContact O-N 2.02Å; C78-C95 WeakPolarHBondContact CA-SG 3.34Å; C78-C95 HydrophobicContact CB-CB 3.55Å; C78-C95 WeakPolarHBondContact CB-SG 3.01Å; C78-C95 WeakPolarHBondContact SG-CB 3.2Å; C78-C95 CovalentContact SG-SG 2.02Å; C78-C95 PolarHBondContact SG-SG 3.15Å | ||
| 79 | P | 87.8 | Confident | 87.9 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -68 | 133.2 | 178.2 | 26.9 | -32.2 | 0 | 0 | 0 | 110.7 | L75 F77 G81 T93 | L75-P79 HydrophobicContact CD1-CG 4.3Å; F77-P79 HydrophobicContact CD2-CB 4.5Å; F77-P79 HydrophobicContact CE2-CB 3.96Å; F77-P79 WeakPolarHBondContact O-CD 2.93Å; P79-G81 PolarHBondContact O-N 2.84Å; P79-T93 HydrophobicContact CG-CG2 4.42Å |
| 80 | A | 79.8 | Confident | 87.7 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 76% | 0.76 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 121.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | C78 V82 | C78-A80 PolarHBondContact O-N 2.02Å; A80-V82 PolarHBondContact O-N 2.81Å |
| 81 | G | 71.3 | Confident | 87.4 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 54% | 0.536 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 127.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P79 | P79-G81 PolarHBondContact O-N 2.84Š|
| 82 | V | 73.5 | Confident | 87.2 | Confident | 115 Ų | 115 | 85 Ų | 85 | 70% | 0.697 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 129.1 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | A80 I84 | A80-V82 PolarHBondContact O-N 2.81Å; V82-I84 PolarHBondContact O-N 2.86Å |
| 83 | P | 72.3 | Confident | 86.9 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 73% | 0.727 | 47% | 0.466 | S | S | * | . | trans | -65.1 | 108.9 | 179 | 23.6 | -31.1 | 0 | 0 | 0 | 110.1 | R85 | P83-R85 PolarHBondContact O-N 2.95Š| ||
| 84 | I | 81 | Confident | 86.8 | Confident | 75 Ų | 75 | 88 Ų | 88 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | trans | -72.3 | 124 | 170.4 | -57.7 | -177.2 | 0 | 0 | 0 | 108 | V82 D86 I89 E91 | V82-I84 PolarHBondContact O-N 2.86Å; I84-D86 VanDerWaalsContact C-N 3.35Å; I84-D86 HydrophobicContact CG2-CB 3.97Å; I84-I89 HydrophobicContact CD1-CG2 3.69Å; I84-I89 HydrophobicContact CG2-CB 3.92Å; I84-I89 HydrophobicContact CG2-CD1 4.28Å; I84-I89 HydrophobicContact CG2-CG2 4.14Å; I84-E91 HydrophobicContact CD1-CB 4.05Å; I84-E91 VanDerWaalsContact CD1-OE2 3.28Å; I84-E91 WeakPolarHBondContact CD1-OE2 3.31Å | ||
| 85 | R | 83.7 | Confident | 86.7 | Confident | 243 Ų | 243 | 89.1 Ų | 89.1 | 92% | 0.917 | 49% | 0.486 | S | S | * | . | trans | -85.7 | -8 | -179 | -66.3 | -173.4 | 178.5 | -145.2 | 0.2 | 113.8 | P83 P87 | P83-R85 PolarHBondContact O-N 2.95Å; R85-P87 WeakPolarHBondContact O-CD 3.46Å | ||
| 86 | D | 86.5 | Confident | 86.7 | Confident | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | trans | -76.2 | 117.2 | 176.4 | -168.2 | -29.6 | 0 | 0 | 0 | 109.8 | I84 N88 I89 | I84-D86 VanDerWaalsContact C-N 3.35Å; I84-D86 HydrophobicContact CG2-CB 3.97Å; D86-N88 PolarHBondContact O-N 2.9Å; D86-N88 WeakPolarHBondContact OD1-CB 3.3Å; D86-N88 PolarHBondContact OD1-N 2.86Å; D86-N88 PolarHBondContact OD1-ND2 3.5Å; D86-N88 VanDerWaalsContact OD1-ND2 3.1Å; D86-I89 HydrophobicContact CB-CB 4.35Å; D86-I89 HydrophobicContact CB-CD1 4.02Å; D86-I89 HydrophobicContact CB-CG1 4Å; D86-I89 PolarHBondContact O-N 2.84Å; D86-I89 VanDerWaalsContact O-N 3.15Å | ||
| 87 | P | 84.8 | Confident | 86.6 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.1 | 179.4 | 28.5 | -36.3 | 0 | 0 | 0 | 113.5 | R85 I89 | R85-P87 WeakPolarHBondContact O-CD 3.46Å; P87-I89 VanDerWaalsContact C-N 3.3Å |
| 88 | N | 89.8 | Confident | 86.7 | Confident | 78 Ų | 78 | 91 Ų | 91 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -7.2 | 179.6 | -59.8 | -54.5 | 0 | 0 | 0 | 113.1 | I61 D86 | I61-N88 HydrophobicContact CB-CB 4.33Å; I61-N88 PolarHBondContact N-O 2Å; I61-N88 WeakPolarHBondContact O-CB 3.31Å; D86-N88 PolarHBondContact O-N 2.9Å; D86-N88 WeakPolarHBondContact OD1-CB 3.3Å; D86-N88 PolarHBondContact OD1-N 2.86Å; D86-N88 PolarHBondContact OD1-ND2 3.5Å; D86-N88 VanDerWaalsContact OD1-ND2 3.1Å |
| 89 | I | 89.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 92.7 Ų | 92.7 | 25% | 0.246 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.7 | -178.2 | -53.6 | -178.2 | 0 | 0 | 0 | 109 | I58 E59 L60 I84 D86 P87 | I58-I89 HydrophobicContact CG2-CG2 4.01Å; E59-I89 WeakPolarHBondContact O-CA 3.48Å; L60-I89 HydrophobicContact CD2-CB 4.49Å; L60-I89 HydrophobicContact CD2-CD1 4.21Å; L60-I89 HydrophobicContact CD2-CG1 3.88Å; L60-I89 HydrophobicContact CD2-CG2 4.15Å; I84-I89 HydrophobicContact CD1-CG2 3.69Å; I84-I89 HydrophobicContact CG2-CB 3.92Å; I84-I89 HydrophobicContact CG2-CD1 4.28Å; I84-I89 HydrophobicContact CG2-CG2 4.14Å; D86-I89 HydrophobicContact CB-CB 4.35Å; D86-I89 HydrophobicContact CB-CD1 4.02Å; D86-I89 HydrophobicContact CB-CG1 4Å; D86-I89 PolarHBondContact O-N 2.84Å; D86-I89 VanDerWaalsContact O-N 3.15Å; P87-I89 VanDerWaalsContact C-N 3.3Å |
| 90 | R | 88.7 | Confident | 87.2 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.7 | 172.5 | -64.1 | 175.1 | 173.9 | -167.6 | -4.5 | 109.3 | I58 E59 | I58-R90 CarbonylContact C-O 3.55Å; I58-R90 WeakPolarHBondContact CA-O 3.3Å; E59-R90 HydrophobicContact CB-CB 4.2Å; E59-R90 PolarHBondContact N-O 2.89Å; E59-R90 PolarHBondContact O-N 2.8Å; E59-R90 WeakPolarHBondContact OE2-CD 2.89Å; E59-R90 IonicContact OE2-NH1 3.99Å |
| 91 | E | 89.1 | Confident | 87.9 | Confident | 60 Ų | 60 | 90.8 Ų | 90.8 | 28% | 0.28 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.9 | 178.1 | -172.3 | -172.9 | 173.8 | 0 | 0 | 110.7 | Q56 N57 I58 I84 T93 | Q56-E91 HydrophobicContact CG-CG 4.25Å; Q56-E91 PolarHBondContact NE2-OE1 2.68Å; N57-E91 WeakPolarHBondContact O-CA 3.2Å; I58-E91 HydrophobicContact CG1-CG 4.34Å; I84-E91 HydrophobicContact CD1-CB 4.05Å; I84-E91 VanDerWaalsContact CD1-OE2 3.28Å; I84-E91 WeakPolarHBondContact CD1-OE2 3.31Å; E91-T93 PolarHBondContact OE1-OG1 3.05Å; E91-T93 VanDerWaalsContact OE1-OG1 3.05Å |
| 92 | R | 89.2 | Confident | 89.1 | Confident | 201 Ų | 201 | 88.4 Ų | 88.4 | 76% | 0.758 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.9 | 166.8 | -69.5 | -173.6 | -179.1 | -161.8 | -0.5 | 109.6 | Q56 N57 | Q56-R92 CarbonylContact C-O 3.58Å; Q56-R92 WeakPolarHBondContact CA-O 3.47Å; N57-R92 PolarHBondContact N-O 3.1Å; N57-R92 PolarHBondContact O-N 3.01Å |
| 93 | T | 91.5 | Very high | 89.7 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 27% | 0.27 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | 176.9 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | I54 A55 P79 E91 | I54-T93 HydrophobicContact CG2-CG2 4.07Å; A55-T93 CarbonylContact O-C 3.49Å; A55-T93 WeakPolarHBondContact O-CA 3.43Å; P79-T93 HydrophobicContact CG-CG2 4.42Å; E91-T93 PolarHBondContact OE1-OG1 3.05Å; E91-T93 VanDerWaalsContact OE1-OG1 3.05Å |
| 94 | S | 92.4 | Very high | 89.5 | Confident | 65 Ų | 65 | 82.6 Ų | 82.6 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | A55 | A55-S94 PolarHBondContact N-O 2.82Å; A55-S94 PolarHBondContact O-N 3.09Å; A55-S94 PolarHBondContact O-OG 2.94Å |
| 95 | C | 94.6 | Very high | 88.4 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 25% | 0.25 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 152.5 | 179.8 | -46.2 | 0 | 0 | 0 | 0 | 110.4 | C53 I54 C78 | C53-C95 WeakPolarHBondContact O-CA 3.35Å; I54-C95 HydrophobicContact CD1-CB 3.96Å; I54-C95 WeakPolarHBondContact CD1-SG 3.35Å; C78-C95 WeakPolarHBondContact CA-SG 3.34Å; C78-C95 HydrophobicContact CB-CB 3.55Å; C78-C95 WeakPolarHBondContact CB-SG 3.01Å; C78-C95 WeakPolarHBondContact SG-CB 3.2Å; C78-C95 CovalentContact SG-SG 2.02Å; C78-C95 PolarHBondContact SG-SG 3.15Å |
| 96 | C | 94.9 | Very high | 86.6 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 162.8 | 174.3 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | F52 C53 C101 | F52-C96 CarbonylContact C-O 3.58Å; F52-C96 WeakPolarHBondContact CA-O 3.47Å; C53-C96 PolarHBondContact N-O 3.18Å; C53-C96 PolarHBondContact O-N 3.23Å; C96-C101 HydrophobicContact CB-CB 3.77Å; C96-C101 WeakPolarHBondContact CB-SG 3.48Å; C96-C101 WeakPolarHBondContact SG-CB 3.38Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.17Å |
| 97 | S | 93.9 | Very high | 84.6 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | trans | -126.6 | 25.9 | -171.1 | 61 | 0 | 0 | 0 | 0 | 112.8 | G51 | G51-S97 WeakPolarHBondContact O-CB 3.35Š| ||
| 98 | E | 93.8 | Very high | 82.5 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -115.3 | 155.4 | 176.8 | -65.9 | -178.6 | 166.4 | 0 | 0 | 109.7 | L100 C101 | E98-L100 PolarHBondContact O-N 3.03Å; E98-C101 HydrophobicContact CB-CB 4.06Å; E98-C101 VanDerWaalsContact O-CB 3.26Å; E98-C101 WeakPolarHBondContact O-CB 3.42Å; E98-C101 PolarHBondContact O-N 3.07Å; E98-C101 PolarHBondContact O-SG 3.35Å |
| 99 | D | 95.5 | Very high | 80.3 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 131 | -179 | -73.1 | -28.9 | 0 | 0 | 0 | 111.8 | Q28 C101 | Q28-D99 HydrophobicContact CB-CB 4.22Å; Q28-D99 PolarHBondContact N-OD1 2.78Å; Q28-D99 CarbonylContact O-C 3.56Å; Q28-D99 WeakPolarHBondContact O-CA 3.2Å; D99-C101 PolarHBondContact O-N 2.96Å |
| 100 | L | 95.3 | Very high | 78.3 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 27% | 0.272 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 17.9 | 176.4 | -52.9 | 177.1 | 0 | 0 | 0 | 113.8 | Q28 Y30 A43 E98 N102 A103 | Q28-L100 HydrophobicContact CB-CD2 3.85Å; Q28-L100 HydrophobicContact CB-CG 4.17Å; Q28-L100 PolarHBondContact O-N 2.83Å; Y30-L100 HydrophobicContact CD2-CB 4.47Å; Y30-L100 HydrophobicContact CE2-CB 3.87Å; Y30-L100 HydrophobicContact CE2-CD2 4.3Å; A43-L100 HydrophobicContact CB-CD2 3.65Å; E98-L100 PolarHBondContact O-N 3.03Å; L100-N102 PolarHBondContact O-N 2.65Å; L100-N102 VanDerWaalsContact O-N 3.17Å; L100-A103 VanDerWaalsContact O-CB 3.31Å; L100-A103 WeakPolarHBondContact O-CB 3.27Å; L100-A103 PolarHBondContact O-N 3.15Å |
| 101 | C | 95.3 | Very high | 76.4 | Confident | 42 Ų | 42 | 86.3 Ų | 86.3 | 28% | 0.284 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.3 | -173.5 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | C96 E98 D99 A103 | C96-C101 HydrophobicContact CB-CB 3.77Å; C96-C101 WeakPolarHBondContact CB-SG 3.48Å; C96-C101 WeakPolarHBondContact SG-CB 3.38Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.17Å; E98-C101 HydrophobicContact CB-CB 4.06Å; E98-C101 VanDerWaalsContact O-CB 3.26Å; E98-C101 WeakPolarHBondContact O-CB 3.42Å; E98-C101 PolarHBondContact O-N 3.07Å; E98-C101 PolarHBondContact O-SG 3.35Å; D99-C101 PolarHBondContact O-N 2.96Å; C101-A103 PolarHBondContact O-N 3.17Å; C101-A103 VanDerWaalsContact O-N 3.15Å |
| 102 | N | 95.2 | Very high | 74 | Confident | 2 Ų | 2 | 86.5 Ų | 86.5 | 1% | 0.011 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 17.7 | 175.2 | 69.9 | -18.2 | 0 | 0 | 0 | 113.4 | Y30 C53 I54 A55 R72 L100 A104 | Y30-N102 WeakPolarHBondContact CB-OD1 3.48Å; Y30-N102 WeakPolarHBondContact CD2-OD1 3.46Å; Y30-N102 PolarHBondContact N-OD1 2.84Å; Y30-N102 PolarHBondContact O-ND2 3.1Å; C53-N102 HydrophobicContact CB-CB 3.67Å; I54-N102 PolarHBondContact O-ND2 3.46Å; A55-N102 HydrophobicContact CB-CB 4.09Å; R72-N102 VanDerWaalsContact CD-O 3.31Å; R72-N102 WeakPolarHBondContact CD-O 3.36Å; R72-N102 PolarHBondContact NE-O 2.73Å; R72-N102 VanDerWaalsContact NE-O 3.09Å; L100-N102 PolarHBondContact O-N 2.65Å; L100-N102 VanDerWaalsContact O-N 3.17Å; N102-A104 PolarHBondContact O-N 3.35Å |
| 103 | A | 87.2 | Confident | 71.9 | Confident | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | trans | -65.4 | 54.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y30 L100 C101 V105 | Y30-A103 HydrophobicContact CD2-CB 4.11Å; Y30-A103 HydrophobicContact CE2-CB 3.66Å; L100-A103 VanDerWaalsContact O-CB 3.31Å; L100-A103 WeakPolarHBondContact O-CB 3.27Å; L100-A103 PolarHBondContact O-N 3.15Å; C101-A103 PolarHBondContact O-N 3.17Å; C101-A103 VanDerWaalsContact O-N 3.15Å; A103-V105 PolarHBondContact O-N 3.22Å | ||
| 104 | A | 67.1 | Low | 69.3 | Low | 43 Ų | 43 | 90.8 Ų | 90.8 | 36% | 0.355 | 56% | 0.559 | S | S | . | * | trans | -86.1 | 104.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R72 N102 | R72-A104 PolarHBondContact NH2-O 3.27Å; N102-A104 PolarHBondContact O-N 3.35Å | ||
| 105 | V | 59.2 | Low | 66.8 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | trans | -154.2 | 127.5 | 155.4 | -173.4 | 0 | 0 | 0 | 0 | 106.1 | A103 | A103-V105 PolarHBondContact O-N 3.22Š| ||
| 106 | P | 45.9 | Very low | 64.4 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | -144 | 149.5 | 67.1 | 33.1 | -11 | 0 | 0 | 0 | 117 | A108 | P106-A108 PolarHBondContact O-N 3.36Š| |||
| 107 | T | 44 | Very low | 61.7 | Low | 92 Ų | 92 | 109.8 Ų | 109.8 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | trans | -55.1 | 129.3 | 160.8 | -45.4 | 0 | 0 | 0 | 0 | 108.6 | G109 | T107-G109 PolarHBondContact O-N 2.86Š| ||
| 108 | A | 39.5 | Very low | 59 | Low | 105 Ų | 105 | 114.8 Ų | 114.8 | 87% | 0.868 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -43.6 | 128.3 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | P106 | P106-A108 PolarHBondContact O-N 3.36Š|
| 109 | G | 44.7 | Very low | 56.6 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | trans | 158.3 | 112.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T107 | T107-G109 PolarHBondContact O-N 2.86Š| ||
| 110 | I | 47.2 | Very low | 53.9 | Low | 177 Ų | 177 | 118.8 Ų | 118.8 | 91% | 0.908 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 87.4 | 120.2 | 169.3 | -40.6 | 175.5 | 0 | 0 | 0 | 115.3 | G112 | I110-G112 PolarHBondContact O-N 2.83Š|
| 111 | Q | 49.3 | Very low | 51.3 | Low | 202 Ų | 202 | 124.6 Ų | 124.6 | 94% | 0.944 | 68% | 0.681 | S | S | * | * | trans | -61.3 | 107.1 | -176.5 | -65 | 161.8 | -5.3 | 0 | 0 | 111.3 | ||||
| 112 | G | 38.1 | Very low | 48.3 | Very low | 63 Ų | 63 | 126.6 Ų | 126.6 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -116.6 | 110.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | I110 M114 | I110-G112 PolarHBondContact O-N 2.83Å; G112-M114 PolarHBondContact O-N 2.85Å | ||
| 113 | L | 46.3 | Very low | 45.6 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | -53.1 | 88.3 | 179.3 | -174.5 | 77.5 | 0 | 0 | 0 | 112 | R115 | L113-R115 PolarHBondContact O-N 3.13Š| ||
| 114 | M | 35.2 | Very low | 43.2 | Very low | 173 Ų | 173 | 140 Ų | 140 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 106.4 | 162.4 | -77.7 | -97.1 | -98.5 | 0 | 0 | 107.3 | G112 V116 | G112-M114 PolarHBondContact O-N 2.85Å; M114-V116 PolarHBondContact O-N 3.02Å | ||
| 115 | R | 41.6 | Very low | 41.7 | Very low | 235 Ų | 235 | 143 Ų | 143 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 98.6 | 169 | -79.5 | -176.6 | -178.6 | 155.5 | 0 | 108.6 | L113 K117 | L113-R115 PolarHBondContact O-N 3.13Å; R115-K117 PolarHBondContact O-N 2.84Å; R115-K117 VanDerWaalsContact O-N 3.13Å | ||
| 116 | V | 43.4 | Very low | 40.8 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -70.1 | 105.3 | 162.3 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | M114 K118 | M114-V116 PolarHBondContact O-N 3.02Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 2.89Å | ||
| 117 | K | 38.9 | Very low | 40.3 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | -67.7 | 96.6 | 166.6 | -134.7 | 175.5 | -174.8 | -179.6 | 0 | 106 | R115 H119 | R115-K117 PolarHBondContact O-N 2.84Å; R115-K117 VanDerWaalsContact O-N 3.13Å; K117-H119 VanDerWaalsContact C-N 3.32Å; K117-H119 PolarHBondContact O-N 2.81Å | ||
| 118 | K | 37 | Very low | 40 | Very low | 182 Ų | 182 | 147 Ų | 147 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -66.1 | 91.6 | 175.2 | -167.4 | 173.7 | -171.6 | 177.7 | 0 | 107.6 | V116 H120 | V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 2.89Å; K118-H120 PolarHBondContact O-N 2.81Å | ||
| 119 | H | 43 | Very low | 39.7 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 111 | 167.3 | -89.5 | -82.6 | 0 | 0 | 0 | 107.8 | K117 Q121 | K117-H119 VanDerWaalsContact C-N 3.32Å; K117-H119 PolarHBondContact O-N 2.81Å; H119-Q121 PolarHBondContact O-N 3.22Å | ||
| 120 | H | 38.7 | Very low | 39.2 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 125.3 | 174.7 | -140.4 | 64.9 | 0 | 0 | 0 | 108.2 | K118 A122 | K118-H120 PolarHBondContact O-N 2.81Å; H120-A122 PolarHBondContact O-N 3.33Å; H120-A122 VanDerWaalsContact O-N 3.13Å | ||
| 121 | Q | 39.7 | Very low | 39 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -70.9 | 103.2 | 177 | -167.4 | 153.5 | 12.7 | 0 | 0 | 108.6 | H119 H123 | H119-Q121 PolarHBondContact O-N 3.22Å; Q121-H123 PolarHBondContact O-N 3.42Å | ||
| 122 | A | 34 | Very low | 38.2 | Very low | 83 Ų | 83 | 148.6 Ų | 148.6 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 111 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | H120 I124 | H120-A122 PolarHBondContact O-N 3.33Å; H120-A122 VanDerWaalsContact O-N 3.13Å; A122-I124 PolarHBondContact O-N 2.72Å | ||
| 123 | H | 36.8 | Very low | 38.4 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -58.4 | 115.5 | 163.2 | -89.3 | -102.1 | 0 | 0 | 0 | 108.7 | Q121 | Q121-H123 PolarHBondContact O-N 3.42Š| ||
| 124 | I | 37.2 | Very low | 37.9 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -106.6 | 118.3 | 164.1 | -64.5 | -179.7 | 0 | 0 | 0 | 107.5 | A122 | A122-I124 PolarHBondContact O-N 2.72Š| ||
| 125 | S | 35.2 | Very low | 38 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -58.1 | 140.1 | 176.9 | -165.8 | 0 | 0 | 0 | 0 | 111.2 | G127 | S125-G127 PolarHBondContact O-N 2.88Å; S125-G127 VanDerWaalsContact O-N 3.14Å | ||
| 126 | T | 40.8 | Very low | 37.6 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -46.9 | 110.6 | 169.1 | 25.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 127 | G | 34.8 | Very low | 37.3 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -113.1 | 122.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S125 F129 | S125-G127 PolarHBondContact O-N 2.88Å; S125-G127 VanDerWaalsContact O-N 3.14Å; G127-F129 PolarHBondContact O-N 3.17Å | ||
| 128 | H | 38.7 | Very low | 37 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -55.5 | 114.8 | 178.6 | -152.8 | 82.5 | 0 | 0 | 0 | 110.6 | ||||
| 129 | F | 33.8 | Very low | 37 | Very low | 208 Ų | 208 | 132.8 Ų | 132.8 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | -97.5 | 101.5 | 167.7 | -121.5 | -91.7 | 0 | 0 | 0 | 108.1 | G127 G131 | G127-F129 PolarHBondContact O-N 3.17Å; F129-G131 PolarHBondContact O-N 2.91Å | ||
| 130 | Q | 32.7 | Very low | 36.6 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -58 | 126.2 | 164.8 | -152.3 | 80 | 50.9 | 0 | 0 | 107.2 | ||||
| 131 | G | 43.2 | Very low | 36.4 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | -67.3 | 145.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F129 | F129-G131 PolarHBondContact O-N 2.91Š| ||
| 132 | D | 33.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -131.9 | 146.7 | 158.2 | -84.5 | -42.3 | 0 | 0 | 0 | 110.1 | ||||
| 133 | P | 42.5 | Very low | 36.6 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -107 | 162.1 | -155.9 | 31 | -15 | 0 | 0 | 0 | 113.9 | ||||
| 134 | A | 36.4 | Very low | 36.5 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 71.4 | 101.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | G136 | A134-G136 PolarHBondContact O-N 3.13Š| ||
| 135 | C | 36.5 | Very low | 36.7 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 100% | 1.007 | 80% | 0.798 | S | S | * | * | trans | -61.8 | 80.1 | 135.2 | -76.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 136 | G | 33.8 | Very low | 37 | Very low | 61 Ų | 61 | 140.1 Ų | 140.1 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 110.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A134 E138 | A134-G136 PolarHBondContact O-N 3.13Å; G136-E138 PolarHBondContact O-N 3.39Å | ||
| 137 | G | 35.5 | Very low | 36.9 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -74.1 | 109.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | A139 | G137-A139 PolarHBondContact O-N 2.94Š| ||
| 138 | E | 32.9 | Very low | 37 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -76.9 | 105.1 | 161.3 | -69.6 | -169.2 | 99.9 | 0 | 0 | 108.2 | G136 Q140 | G136-E138 PolarHBondContact O-N 3.39Å; E138-Q140 PolarHBondContact O-N 3.28Å | ||
| 139 | A | 36.7 | Very low | 36.9 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -69.9 | 103.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G137 E141 | G137-A139 PolarHBondContact O-N 2.94Å; A139-E141 PolarHBondContact O-N 2.9Å; A139-E141 VanDerWaalsContact O-N 3.17Å | ||
| 140 | Q | 35.8 | Very low | 37.1 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -78.9 | 95.9 | 172.8 | -162.3 | 144.7 | -84 | 0 | 0 | 109 | E138 M142 | E138-Q140 PolarHBondContact O-N 3.28Å; Q140-M142 PolarHBondContact O-N 3.44Å; Q140-M142 VanDerWaalsContact O-N 3.1Å | ||
| 141 | E | 33.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -63.2 | 101.9 | 167.5 | -171.4 | 108 | 128.8 | 0 | 0 | 108.6 | A139 S143 | A139-E141 PolarHBondContact O-N 2.9Å; A139-E141 VanDerWaalsContact O-N 3.17Å; E141-S143 PolarHBondContact O-N 2.82Å | ||
| 142 | M | 37.9 | Very low | 37 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 82% | 0.823 | 85% | 0.849 | S | S | * | * | trans | -79.8 | 113.1 | 170.2 | -73.4 | -160.3 | -41.4 | 0 | 0 | 110 | Q140 N144 | Q140-M142 PolarHBondContact O-N 3.44Å; Q140-M142 VanDerWaalsContact O-N 3.1Å; M142-N144 PolarHBondContact O-N 3.21Å | ||
| 143 | S | 40 | Very low | 37.2 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 85% | 0.848 | S | S | * | * | trans | -46.6 | 127.3 | 156.6 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | E141 | E141-S143 PolarHBondContact O-N 2.82Š| ||
| 144 | N | 34.6 | Very low | 36.8 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 86% | 0.855 | S | S | * | * | trans | -135 | 107.8 | 159.9 | -158.8 | 8.8 | 0 | 0 | 0 | 109.9 | M142 | M142-N144 PolarHBondContact O-N 3.21Š| ||
| 145 | Q | 41.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 76% | 0.757 | 86% | 0.863 | S | S | * | * | trans | -79 | 132 | 166.8 | -96.3 | 158.8 | -53.1 | 0 | 0 | 110.5 | ||||
| 146 | R | 41.9 | Very low | 36.9 | Very low | 241 Ų | 241 | 155.8 Ų | 155.8 | 91% | 0.909 | 85% | 0.851 | S | S | * | * | trans | 155.9 | 127.7 | 155.6 | -90.2 | 166.5 | -157.5 | -137 | 7.4 | 106.3 | ||||
| 147 | L | 38.1 | Very low | 37.2 | Very low | 246 Ų | 246 | 164.5 Ų | 164.5 | 100% | 1.288 | 87% | 0.871 | S | S | * | * | cis | -122.4 | 0 | 16.9 | -94.6 | 88.8 | 0 | 0 | 0 | 111.9 |
Retrieved 147 of 147 residues in 104 ms
(Link to these results)