| 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 | 43.8 | Very low | 60.2 | Low | 227 Ų | 227 | 112.6 Ų | 112.6 | 100% | 1.118 | 63% | 0.629 | S | S | * | * | 0 | 98.1 | 0 | -155.5 | 150.1 | 78.9 | 0 | 0 | 106.3 | T3 | M1-T3 PolarHBondContact O-N 2.8Š| |||
| 2 | D | 49.4 | Very low | 61.4 | Low | 119 Ų | 119 | 111.7 Ų | 111.7 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | trans | -74.3 | 91.2 | -158.2 | -65.8 | -75.9 | 0 | 0 | 0 | 113.7 | S4 H5 | D2-S4 PolarHBondContact O-N 3.31Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-H5 PolarHBondContact O-N 3.1Å | ||
| 3 | T | 55.2 | Low | 62.5 | Low | 117 Ų | 117 | 111.5 Ų | 111.5 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.4 | -20.4 | 171.5 | 30.4 | 0 | 0 | 0 | 0 | 113.7 | M1 T7 | M1-T3 PolarHBondContact O-N 2.8Å; T3-T7 PolarHBondContact O-OG1 3.23Å |
| 4 | S | 56.6 | Low | 63.5 | Low | 92 Ų | 92 | 111.4 Ų | 111.4 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.3 | -36.5 | 178.1 | -168.2 | 0 | 0 | 0 | 0 | 113.1 | D2 K8 | D2-S4 PolarHBondContact O-N 3.31Å; D2-S4 VanDerWaalsContact O-N 3.1Å; S4-K8 PolarHBondContact O-N 2.85Å |
| 5 | H | 57.8 | Low | 64.1 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 67% | 0.667 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.8 | -39.8 | -178.4 | -89.1 | -94.4 | 0 | 0 | 0 | 112.6 | D2 K8 S9 | D2-H5 PolarHBondContact O-N 3.1Å; H5-K8 PolarHBondContact O-N 2.87Å; H5-S9 PolarHBondContact O-N 3.12Å; H5-S9 VanDerWaalsContact O-N 3.16Å |
| 6 | T | 59.3 | Low | 64.6 | Low | 93 Ų | 93 | 108.3 Ų | 108.3 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.2 | -43.5 | 179.1 | -49.8 | 0 | 0 | 0 | 0 | 111.4 | K8 S9 C10 | T6-K8 PolarHBondContact O-N 2.97Å; T6-S9 PolarHBondContact O-N 2.84Å; T6-C10 PolarHBondContact O-N 3.46Å; T6-C10 PolarHBondContact O-SG 3.05Å; T6-C10 VanDerWaalsContact O-SG 3.4Å |
| 7 | T | 60.9 | Low | 64.9 | Low | 90 Ų | 90 | 105.5 Ų | 105.5 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.4 | -43.3 | -179.8 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | T3 S9 C10 V11 | T3-T7 PolarHBondContact O-OG1 3.23Å; T7-S9 VanDerWaalsContact C-N 3.34Å; T7-S9 PolarHBondContact O-N 2.95Å; T7-C10 PolarHBondContact O-N 3.16Å; T7-V11 VanDerWaalsContact O-CG2 3.29Å; T7-V11 WeakPolarHBondContact O-CG2 3.38Å; T7-V11 PolarHBondContact O-N 3.13Å |
| 8 | K | 62.3 | Low | 65.1 | Low | 151 Ų | 151 | 106.6 Ų | 106.6 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -37.4 | 178.9 | -166.5 | 177.2 | 176.1 | 178 | 0 | 112.3 | S4 H5 T6 L12 | S4-K8 PolarHBondContact O-N 2.85Å; H5-K8 PolarHBondContact O-N 2.87Å; T6-K8 PolarHBondContact O-N 2.97Å; K8-L12 HydrophobicContact CG-CD1 4.5Å; K8-L12 WeakPolarHBondContact O-CD1 3.45Å; K8-L12 WeakPolarHBondContact O-CG 3.41Å; K8-L12 PolarHBondContact O-N 3.09Å |
| 9 | S | 70 | Confident | 65 | Low | 64 Ų | 64 | 108.2 Ų | 108.2 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.5 | -43.5 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | H5 T6 T7 V11 L12 I13 | H5-S9 PolarHBondContact O-N 3.12Å; H5-S9 VanDerWaalsContact O-N 3.16Å; T6-S9 PolarHBondContact O-N 2.84Å; T7-S9 VanDerWaalsContact C-N 3.34Å; T7-S9 PolarHBondContact O-N 2.95Å; S9-V11 PolarHBondContact O-N 3.1Å; S9-L12 PolarHBondContact O-N 2.8Å; S9-I13 WeakPolarHBondContact O-CD1 3.45Å; S9-I13 VanDerWaalsContact O-CG1 3.27Å; S9-I13 WeakPolarHBondContact O-CG1 3.41Å; S9-I13 PolarHBondContact O-N 2.82Å |
| 10 | C | 70.3 | Confident | 64.9 | Low | 66 Ų | 66 | 107.3 Ų | 107.3 | 45% | 0.446 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.3 | -40.8 | 176.4 | -69.3 | 0 | 0 | 0 | 0 | 113 | T6 T7 I13 L14 | T6-C10 PolarHBondContact O-N 3.46Å; T6-C10 PolarHBondContact O-SG 3.05Å; T6-C10 VanDerWaalsContact O-SG 3.4Å; T7-C10 PolarHBondContact O-N 3.16Å; C10-I13 PolarHBondContact O-N 2.67Å; C10-L14 WeakPolarHBondContact O-CG 3.24Å; C10-L14 PolarHBondContact O-N 2.87Å |
| 11 | V | 76.5 | Confident | 64.7 | Low | 76 Ų | 76 | 105.2 Ų | 105.2 | 46% | 0.461 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -41 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | T7 S9 L14 L15 | T7-V11 VanDerWaalsContact O-CG2 3.29Å; T7-V11 WeakPolarHBondContact O-CG2 3.38Å; T7-V11 PolarHBondContact O-N 3.13Å; S9-V11 PolarHBondContact O-N 3.1Å; V11-L14 PolarHBondContact O-N 3.23Å; V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 WeakPolarHBondContact O-CB 3.4Å; V11-L15 PolarHBondContact O-N 3.37Å |
| 12 | L | 75.3 | Confident | 65.3 | Low | 101 Ų | 101 | 102.4 Ų | 102.4 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | 175.5 | -77.6 | 163.5 | 0 | 0 | 0 | 112 | K8 S9 L15 V16 | K8-L12 HydrophobicContact CG-CD1 4.5Å; K8-L12 WeakPolarHBondContact O-CD1 3.45Å; K8-L12 WeakPolarHBondContact O-CG 3.41Å; K8-L12 PolarHBondContact O-N 3.09Å; S9-L12 PolarHBondContact O-N 2.8Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 2.03Å |
| 13 | I | 75.1 | Confident | 65.7 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 56% | 0.559 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64 | -43 | 177.5 | -66.4 | 163.8 | 0 | 0 | 0 | 111.1 | S9 C10 V16 A17 | S9-I13 WeakPolarHBondContact O-CD1 3.45Å; S9-I13 VanDerWaalsContact O-CG1 3.27Å; S9-I13 WeakPolarHBondContact O-CG1 3.41Å; S9-I13 PolarHBondContact O-N 2.82Å; C10-I13 PolarHBondContact O-N 2.67Å; I13-V16 PolarHBondContact O-N 3.31Å; I13-A17 WeakPolarHBondContact O-CB 3.29Å; I13-A17 PolarHBondContact O-N 2.8Å |
| 14 | L | 77.1 | Confident | 66 | Low | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -40.3 | 177 | -75.4 | 165.8 | 0 | 0 | 0 | 112.5 | C10 V11 A17 L18 | C10-L14 WeakPolarHBondContact O-CG 3.24Å; C10-L14 PolarHBondContact O-N 2.87Å; V11-L14 PolarHBondContact O-N 3.23Å; L14-A17 PolarHBondContact O-N 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.26Å |
| 15 | L | 71.6 | Confident | 66.9 | Low | 90 Ų | 90 | 106.5 Ų | 106.5 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -45 | 174.9 | -86.8 | 158.1 | 0 | 0 | 0 | 111.6 | V11 L12 L18 L19 | V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 WeakPolarHBondContact O-CB 3.4Å; V11-L15 PolarHBondContact O-N 3.37Å; L12-L15 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 2.92Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CD1 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.84Å |
| 16 | V | 72.6 | Confident | 68.3 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -43 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111 | L12 I13 L18 L19 C20 | L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 2.03Å; I13-V16 PolarHBondContact O-N 3.31Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.87Å; V16-L19 PolarHBondContact O-N 2.81Å; V16-C20 WeakPolarHBondContact O-CB 3.37Å; V16-C20 PolarHBondContact O-N 2.85Å; V16-C20 PolarHBondContact O-SG 2.82Å |
| 17 | A | 69.7 | Low | 69.9 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I13 L14 A21 | I13-A17 WeakPolarHBondContact O-CB 3.29Å; I13-A17 PolarHBondContact O-N 2.8Å; L14-A17 PolarHBondContact O-N 3.3Å; A17-A21 PolarHBondContact O-N 3.11Å; A17-A21 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 67.9 | Low | 71.7 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.4 | -33.6 | 175.1 | -73.9 | 165.7 | 0 | 0 | 0 | 112.9 | L14 L15 V16 C20 A21 | L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.26Å; L15-L18 PolarHBondContact O-N 2.92Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.87Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-A21 WeakPolarHBondContact O-CB 3.36Å; L18-A21 PolarHBondContact O-N 2.87Å |
| 19 | L | 64.3 | Low | 73.4 | Confident | 137 Ų | 137 | 88.7 Ų | 88.7 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.2 | -32 | 173.9 | -80.6 | 152.7 | 0 | 0 | 0 | 112 | L15 V16 A21 | L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CD1 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.84Å; V16-L19 PolarHBondContact O-N 2.81Å; L19-A21 VanDerWaalsContact C-N 3.3Å |
| 20 | C | 61.8 | Low | 74.7 | Confident | 91 Ų | 91 | 89 Ų | 89 | 62% | 0.615 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -81 | -8.7 | 171.7 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | V16 L18 E22 | V16-C20 WeakPolarHBondContact O-CB 3.37Å; V16-C20 PolarHBondContact O-N 2.85Å; V16-C20 PolarHBondContact O-SG 2.82Å; L18-C20 VanDerWaalsContact C-N 3.34Å; C20-E22 PolarHBondContact O-N 2.82Å |
| 21 | A | 61 | Low | 76 | Confident | 63 Ų | 63 | 88.8 Ų | 88.8 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | trans | -77.1 | 67.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | A17 L18 L19 R23 | A17-A21 PolarHBondContact O-N 3.11Å; A17-A21 VanDerWaalsContact O-N 3.12Å; L18-A21 WeakPolarHBondContact O-CB 3.36Å; L18-A21 PolarHBondContact O-N 2.87Å; L19-A21 VanDerWaalsContact C-N 3.3Å; A21-R23 PolarHBondContact O-N 3.17Å; A21-R23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | E | 57.5 | Low | 76.9 | Confident | 169 Ų | 169 | 85.9 Ų | 85.9 | 79% | 0.79 | 46% | 0.463 | S | S | * | . | trans | -47.7 | 124.9 | 161.3 | -73.2 | 172 | 133.6 | 0 | 0 | 106.4 | C20 A24 | C20-E22 PolarHBondContact O-N 2.82Å; E22-A24 VanDerWaalsContact C-N 3.31Å; E22-A24 PolarHBondContact O-N 2.86Å | ||
| 23 | R | 57.3 | Low | 77.9 | Confident | 197 Ų | 197 | 87.5 Ų | 87.5 | 74% | 0.743 | 46% | 0.463 | S | S | * | . | trans | -59.1 | 101.9 | 176.4 | -77.2 | -174.5 | 172.8 | -153 | 9.7 | 107 | A21 Q25 | A21-R23 PolarHBondContact O-N 3.17Å; A21-R23 VanDerWaalsContact O-N 3.14Å; R23-Q25 HydrophobicContact CB-CB 4.34Å; R23-Q25 HydrophobicContact CB-CG 4.19Å; R23-Q25 PolarHBondContact O-N 3.45Å | ||
| 24 | A | 61.9 | Low | 78.8 | Confident | 83 Ų | 83 | 84.2 Ų | 84.2 | 69% | 0.686 | 46% | 0.456 | S | S | * | . | trans | -69.2 | 26.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E22 G26 A48 | E22-A24 VanDerWaalsContact C-N 3.31Å; E22-A24 PolarHBondContact O-N 2.86Å; A24-G26 PolarHBondContact O-N 3.39Å; A24-A48 HydrophobicContact CB-CB 4.36Å; A24-A48 WeakPolarHBondContact O-CB 3.45Å | ||
| 25 | Q | 74.9 | Confident | 79.7 | Confident | 133 Ų | 133 | 80.6 Ų | 80.6 | 62% | 0.621 | 44% | 0.438 | S | S | * | . | trans | -74 | 114 | 174.2 | -68.1 | 177.9 | -9.5 | 0 | 0 | 105.7 | R23 | R23-Q25 HydrophobicContact CB-CB 4.34Å; R23-Q25 HydrophobicContact CB-CG 4.19Å; R23-Q25 PolarHBondContact O-N 3.45Å | ||
| 26 | G | 86.8 | Confident | 80.8 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -63 | 154.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A24 C46 | A24-G26 PolarHBondContact O-N 3.39Å; G26-C46 WeakPolarHBondContact CA-O 3.42Å |
| 27 | L | 94.1 | Very high | 81.6 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 146.3 | 176.4 | -70 | 171.2 | 0 | 0 | 0 | 111 | C46 G51 D99 | L27-C46 HydrophobicContact CB-CB 4.42Å; L27-C46 VanDerWaalsContact O-CB 3.27Å; L27-C46 WeakPolarHBondContact O-CB 2.91Å; L27-C46 PolarHBondContact O-N 2.02Å; L27-C46 PolarHBondContact O-SG 2.85Å; L27-G51 VanDerWaalsContact CD1-O 3.31Å; L27-G51 WeakPolarHBondContact CD1-O 3.45Å; L27-D99 WeakPolarHBondContact CA-OD1 3.44Å |
| 28 | Q | 97.3 | Very high | 82.6 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 29% | 0.29 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.3 | 159.9 | -61 | -59.7 | -63.5 | 0 | 0 | 108.4 | V44 T45 C53 D99 L100 | Q28-V44 CarbonylContact C-O 3.54Å; Q28-V44 WeakPolarHBondContact CA-O 3.09Å; Q28-T45 PolarHBondContact NE2-OG1 2.85Å; Q28-T45 PolarHBondContact OE1-OG1 2.68Å; Q28-C53 PolarHBondContact O-SG 2.93Å; Q28-D99 HydrophobicContact CB-CB 4.13Å; Q28-D99 PolarHBondContact N-OD1 3.06Å; Q28-D99 CarbonylContact O-C 3.5Å; Q28-D99 WeakPolarHBondContact O-CA 3.45Å; Q28-L100 HydrophobicContact CB-CD2 3.73Å; Q28-L100 HydrophobicContact CB-CG 3.99Å; Q28-L100 PolarHBondContact O-N 3.3Å |
| 29 | C | 97.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 160 | 172.2 | -58.8 | 0 | 0 | 0 | 0 | 110 | A43 V44 C46 C53 | C29-A43 CarbonylContact O-C 3.51Å; C29-A43 WeakPolarHBondContact O-CA 3.12Å; C29-V44 PolarHBondContact N-O 2.96Å; C29-V44 PolarHBondContact O-N 3.07Å; C29-C46 PolarHBondContact SG-SG 3.38Å; C29-C53 HydrophobicContact CB-CB 3.77Å; C29-C53 WeakPolarHBondContact CB-SG 3.02Å; C29-C53 WeakPolarHBondContact SG-CA 3.27Å; C29-C53 WeakPolarHBondContact SG-CB 3.25Å; C29-C53 CovalentContact SG-SG 2.02Å; C29-C53 PolarHBondContact SG-SG 2.66Å |
| 30 | Y | 97.9 | Very high | 85.2 | Confident | 71 Ų | 71 | 76.7 Ų | 76.7 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 143.4 | 164.5 | -65.9 | -68.3 | 0 | 0 | 0 | 110.5 | C41 P42 A43 R72 Q73 L100 N102 A103 | Y30-C41 WeakPolarHBondContact CD1-O 3.36Å; Y30-P42 CarbonylContact C-O 3.57Å; Y30-P42 WeakPolarHBondContact CA-O 3.28Å; Y30-A43 HydrophobicContact CD1-CB 4.3Å; Y30-A43 HydrophobicContact CE1-CB 4.24Å; Y30-R72 CarbonylContact O-C 3.55Å; Y30-R72 WeakPolarHBondContact O-CB 3.28Å; Y30-Q73 PolarHBondContact O-N 3.34Å; Y30-L100 HydrophobicContact CD2-CB 4.47Å; Y30-L100 HydrophobicContact CE1-CD2 4.43Å; Y30-L100 HydrophobicContact CE2-CB 3.86Å; Y30-L100 HydrophobicContact CE2-CD2 4.28Å; Y30-L100 WeakPolarHBondContact CE2-O 3.42Å; Y30-N102 WeakPolarHBondContact CB-OD1 3.47Å; Y30-N102 WeakPolarHBondContact CD2-OD1 3.4Å; Y30-N102 PolarHBondContact N-OD1 3.45Å; Y30-N102 PolarHBondContact O-ND2 2.97Å; Y30-A103 HydrophobicContact CD2-CB 4.06Å; Y30-A103 HydrophobicContact CE2-CB 3.61Å |
| 31 | E | 96.8 | Very high | 86.9 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | trans | -135 | 127.1 | 179.7 | -169.4 | 168.2 | -96.8 | 0 | 0 | 113.3 | Y33 P42 V44 R72 | E31-Y33 HydrophobicContact CG-CE2 3.87Å; E31-Y33 PolarHBondContact OE1-OH 2.03Å; E31-P42 PolarHBondContact N-O 2.82Å; E31-P42 VanDerWaalsContact O-CD 3.28Å; E31-P42 WeakPolarHBondContact O-CD 3.3Å; E31-V44 HydrophobicContact CB-CB 4.49Å; E31-V44 HydrophobicContact CB-CG1 3.99Å; E31-V44 HydrophobicContact CB-CG2 3.63Å; E31-V44 HydrophobicContact CG-CG2 4.48Å; E31-R72 CarbonylContact C-O 3.57Å; E31-R72 VanDerWaalsContact CA-O 3.25Å; E31-R72 WeakPolarHBondContact CA-O 3.36Å | ||
| 32 | C | 97.3 | Very high | 88.6 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 10% | 0.095 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 156.2 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | V35 C41 T71 R72 | C32-V35 HydrophobicContact CB-CG1 4.39Å; C32-V35 HydrophobicContact CB-CG2 3.92Å; C32-C41 HydrophobicContact CB-CB 3.6Å; C32-C41 WeakPolarHBondContact CB-SG 3.29Å; C32-C41 WeakPolarHBondContact SG-CB 3.37Å; C32-C41 CovalentContact SG-SG 2.03Å; C32-C41 PolarHBondContact SG-SG 3.42Å; C32-T71 CarbonylContact O-C 3.55Å; C32-T71 VanDerWaalsContact O-CA 3.28Å; C32-T71 WeakPolarHBondContact O-CA 3.47Å; C32-R72 PolarHBondContact N-O 2.76Å; C32-R72 PolarHBondContact O-N 2.85Å |
| 33 | Y | 96.1 | Very high | 90.5 | Very high | 135 Ų | 135 | 68.4 Ų | 68.4 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.5 | -173 | -59.3 | -84.2 | 0 | 0 | 0 | 111.6 | E31 V35 T71 Q73 | E31-Y33 HydrophobicContact CG-CE2 3.87Å; E31-Y33 PolarHBondContact OE1-OH 2.03Å; Y33-V35 PolarHBondContact O-N 3.3Å; Y33-V35 VanDerWaalsContact O-N 3.1Å; Y33-T71 HydrophobicContact CD1-CG2 3.8Å; Y33-T71 HydrophobicContact CE1-CG2 4.31Å; Y33-Q73 HydrophobicContact CE1-CB 4.14Å |
| 34 | G | 94.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.7 | 26.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | K70 T71 | G34-K70 WeakPolarHBondContact CA-O 3.38Å; G34-K70 PolarHBondContact N-O 2.9Å; G34-T71 PolarHBondContact N-OG1 2.74Å; G34-T71 VanDerWaalsContact N-OG1 3.13Å |
| 35 | V | 95.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 156.5 | -178.6 | -62.3 | 0 | 0 | 0 | 0 | 111 | C32 Y33 T39 L69 K70 | C32-V35 HydrophobicContact CB-CG1 4.39Å; C32-V35 HydrophobicContact CB-CG2 3.92Å; Y33-V35 PolarHBondContact O-N 3.3Å; Y33-V35 VanDerWaalsContact O-N 3.1Å; V35-T39 HydrophobicContact CB-CG2 4.01Å; V35-T39 HydrophobicContact CG1-CG2 4.36Å; V35-T39 HydrophobicContact CG2-CG2 4.1Å; V35-L69 CarbonylContact O-C 3.57Å; V35-L69 VanDerWaalsContact O-CA 3.29Å; V35-L69 WeakPolarHBondContact O-CA 3.02Å; V35-K70 HydrophobicContact CG2-CG 3.79Å; V35-K70 PolarHBondContact N-O 3.35Å; V35-K70 VanDerWaalsContact N-O 3.09Å; V35-K70 PolarHBondContact O-N 3.08Å |
| 36 | P | 93.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 147.5 | 168.7 | -26.5 | 34.8 | 0 | 0 | 0 | 112.2 | E38 T39 | P36-E38 PolarHBondContact O-N 3Å; P36-E38 VanDerWaalsContact O-N 3.11Å; P36-T39 WeakPolarHBondContact CD-OG1 3.41Å; P36-T39 VanDerWaalsContact O-CB 3.27Å; P36-T39 WeakPolarHBondContact O-CB 3.32Å; P36-T39 PolarHBondContact O-N 3.26Å; P36-T39 PolarHBondContact O-OG1 2.96Å |
| 37 | I | 91.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26.8 | -172.4 | -154.1 | 156.3 | 0 | 0 | 0 | 114.1 | T39 K68 K70 P106 | I37-T39 VanDerWaalsContact C-N 3.34Å; I37-K68 HydrophobicContact CB-CB 4.27Å; I37-K68 HydrophobicContact CD1-CB 4.34Å; I37-K68 HydrophobicContact CG2-CB 4.3Å; I37-K68 PolarHBondContact N-O 2.98Å; I37-K70 HydrophobicContact CG1-CD 4.28Å; I37-K70 WeakPolarHBondContact O-CE 3.47Å; I37-K70 PolarHBondContact O-NZ 3.44Å; I37-P106 HydrophobicContact CD1-CG 3.49Å; I37-P106 VanDerWaalsContact CD1-CG 3.49Å |
| 38 | E | 90.6 | Very high | 95.1 | Very high | 157 Ų | 157 | 65.7 Ų | 65.7 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.9 | 178.1 | -51.2 | -53.2 | 154.2 | 0 | 0 | 113.3 | P36 S40 | P36-E38 PolarHBondContact O-N 3Å; P36-E38 VanDerWaalsContact O-N 3.11Å; E38-S40 PolarHBondContact O-N 3.02Å |
| 39 | T | 93.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 66.8 Ų | 66.8 | 36% | 0.356 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.5 | 122.8 | -178.4 | -59 | 0 | 0 | 0 | 0 | 110.1 | V35 P36 I37 K70 | V35-T39 HydrophobicContact CB-CG2 4.01Å; V35-T39 HydrophobicContact CG1-CG2 4.36Å; V35-T39 HydrophobicContact CG2-CG2 4.1Å; P36-T39 WeakPolarHBondContact CD-OG1 3.41Å; P36-T39 VanDerWaalsContact O-CB 3.27Å; P36-T39 WeakPolarHBondContact O-CB 3.32Å; P36-T39 PolarHBondContact O-N 3.26Å; P36-T39 PolarHBondContact O-OG1 2.96Å; I37-T39 VanDerWaalsContact C-N 3.34Å; T39-K70 WeakPolarHBondContact O-CE 3.37Å; T39-K70 PolarHBondContact O-NZ 3.42Å |
| 40 | S | 93.6 | Very high | 94.6 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 76% | 0.762 | 39% | 0.389 | S | S | * | . | trans | -63.5 | 138.8 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | E38 | E38-S40 PolarHBondContact O-N 3.02Š| ||
| 41 | C | 96.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | trans | -106.9 | 132.6 | 175.8 | -55.3 | 0 | 0 | 0 | 0 | 108 | Y30 C32 K70 | Y30-C41 WeakPolarHBondContact CD1-O 3.36Å; C32-C41 HydrophobicContact CB-CB 3.6Å; C32-C41 WeakPolarHBondContact CB-SG 3.29Å; C32-C41 WeakPolarHBondContact SG-CB 3.37Å; C32-C41 CovalentContact SG-SG 2.03Å; C32-C41 PolarHBondContact SG-SG 3.42Å; C41-K70 VanDerWaalsContact SG-CE 3.55Å | ||
| 42 | P | 97.1 | Very high | 94.3 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | trans | -64.9 | 150.3 | 176.3 | 27.8 | -36.5 | 0 | 0 | 0 | 111.3 | Y30 E31 | Y30-P42 CarbonylContact C-O 3.57Å; Y30-P42 WeakPolarHBondContact CA-O 3.28Å; E31-P42 PolarHBondContact N-O 2.82Å; E31-P42 VanDerWaalsContact O-CD 3.28Å; E31-P42 WeakPolarHBondContact O-CD 3.3Å | ||
| 43 | A | 97.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C29 Y30 L100 | C29-A43 CarbonylContact O-C 3.51Å; C29-A43 WeakPolarHBondContact O-CA 3.12Å; Y30-A43 HydrophobicContact CD1-CB 4.3Å; Y30-A43 HydrophobicContact CE1-CB 4.24Å; A43-L100 HydrophobicContact CB-CD2 3.67Å |
| 44 | V | 96.7 | Very high | 94.3 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154.3 | 177.8 | -57 | 0 | 0 | 0 | 0 | 110 | Q28 C29 E31 | Q28-V44 CarbonylContact C-O 3.54Å; Q28-V44 WeakPolarHBondContact CA-O 3.09Å; C29-V44 PolarHBondContact N-O 2.96Å; C29-V44 PolarHBondContact O-N 3.07Å; E31-V44 HydrophobicContact CB-CB 4.49Å; E31-V44 HydrophobicContact CB-CG1 3.99Å; E31-V44 HydrophobicContact CB-CG2 3.63Å; E31-V44 HydrophobicContact CG-CG2 4.48Å |
| 45 | T | 96.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 57% | 0.571 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.6 | 168 | -51.9 | 0 | 0 | 0 | 0 | 109 | Q28 | Q28-T45 PolarHBondContact NE2-OG1 2.85Å; Q28-T45 PolarHBondContact OE1-OG1 2.68Å |
| 46 | C | 95.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 165.1 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | G26 L27 C29 D50 C74 | G26-C46 WeakPolarHBondContact CA-O 3.42Å; L27-C46 HydrophobicContact CB-CB 4.42Å; L27-C46 VanDerWaalsContact O-CB 3.27Å; L27-C46 WeakPolarHBondContact O-CB 2.91Å; L27-C46 PolarHBondContact O-N 2.02Å; L27-C46 PolarHBondContact O-SG 2.85Å; C29-C46 PolarHBondContact SG-SG 3.38Å; C46-D50 HydrophobicContact CB-CB 4.04Å; C46-C74 WeakPolarHBondContact CA-SG 3.31Å; C46-C74 HydrophobicContact CB-CB 3.6Å; C46-C74 WeakPolarHBondContact CB-SG 2.92Å; C46-C74 WeakPolarHBondContact SG-CB 3.37Å; C46-C74 CovalentContact SG-SG 2.03Å; C46-C74 PolarHBondContact SG-SG 3.04Å |
| 47 | R | 94 | Very high | 94.2 | Very high | 185 Ų | 185 | 55.3 Ų | 55.3 | 70% | 0.698 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 151.5 | 168.7 | -59.5 | 177.2 | -179.7 | 144.3 | 1.6 | 109.2 | S49 D50 | R47-S49 PolarHBondContact O-N 2.8Å; R47-S49 VanDerWaalsContact O-N 3.11Å; R47-D50 HydrophobicContact CB-CB 4.48Å; R47-D50 WeakPolarHBondContact CB-OD2 3.38Å; R47-D50 WeakPolarHBondContact O-CB 3.06Å; R47-D50 PolarHBondContact O-N 2.95Å |
| 48 | A | 88.6 | Confident | 94.2 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A24 D50 | A24-A48 HydrophobicContact CB-CB 4.36Å; A24-A48 WeakPolarHBondContact O-CB 3.45Å; A48-D50 VanDerWaalsContact C-N 3.31Å |
| 49 | S | 90.5 | Very high | 94.3 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.3 | 174.6 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | R47 S76 | R47-S49 PolarHBondContact O-N 2.8Å; R47-S49 VanDerWaalsContact O-N 3.11Å; S49-S76 WeakPolarHBondContact O-CA 3.01Å; S49-S76 WeakPolarHBondContact O-CB 3.16Å |
| 50 | D | 93.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | trans | -95.4 | 100.8 | -174.2 | -62.3 | -21.4 | 0 | 0 | 0 | 109.6 | C46 R47 A48 C74 L75 S76 | C46-D50 HydrophobicContact CB-CB 4.04Å; R47-D50 HydrophobicContact CB-CB 4.48Å; R47-D50 WeakPolarHBondContact CB-OD2 3.38Å; R47-D50 WeakPolarHBondContact O-CB 3.06Å; R47-D50 PolarHBondContact O-N 2.95Å; A48-D50 VanDerWaalsContact C-N 3.31Å; D50-C74 HydrophobicContact CB-CB 4.04Å; D50-L75 CarbonylContact C-O 3.59Å; D50-S76 PolarHBondContact OD1-N 2.92Å | ||
| 51 | G | 92.4 | Very high | 94 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | trans | -91.7 | 3.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L27 L75 S97 | L27-G51 VanDerWaalsContact CD1-O 3.31Å; L27-G51 WeakPolarHBondContact CD1-O 3.45Å; G51-L75 PolarHBondContact N-O 3.12Å; G51-S97 WeakPolarHBondContact O-CB 3.44Å | ||
| 52 | F | 96 | Very high | 93.4 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 31% | 0.307 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.3 | -176 | -59.3 | -84.8 | 0 | 0 | 0 | 113 | I54 L75 C78 C95 C96 | F52-I54 HydrophobicContact CB-CD1 3.92Å; F52-L75 PolarHBondContact N-O 3.14Å; F52-L75 PolarHBondContact O-N 3.4Å; F52-C78 HydrophobicContact CD1-CB 4.37Å; F52-C95 HydrophobicContact CD1-CB 4.38Å; F52-C96 CarbonylContact C-O 3.58Å; F52-C96 WeakPolarHBondContact CA-O 3.18Å |
| 53 | C | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.8 | 159.1 | -53.8 | 0 | 0 | 0 | 0 | 109.4 | Q28 C29 C95 C96 E98 N102 | Q28-C53 PolarHBondContact O-SG 2.93Å; C29-C53 HydrophobicContact CB-CB 3.77Å; C29-C53 WeakPolarHBondContact CB-SG 3.02Å; C29-C53 WeakPolarHBondContact SG-CA 3.27Å; C29-C53 WeakPolarHBondContact SG-CB 3.25Å; C29-C53 CovalentContact SG-SG 2.02Å; C29-C53 PolarHBondContact SG-SG 2.66Å; C53-C95 WeakPolarHBondContact O-CA 3.21Å; C53-C96 PolarHBondContact N-O 2.81Å; C53-C96 PolarHBondContact O-N 2.89Å; C53-E98 PolarHBondContact SG-O 3.11Å; C53-N102 HydrophobicContact CB-CB 3.68Å |
| 54 | I | 95.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.4 | 179.9 | -47.9 | -59.9 | 0 | 0 | 0 | 109.6 | F52 R72 Q73 L75 T93 C95 N102 | F52-I54 HydrophobicContact CB-CD1 3.92Å; I54-R72 WeakPolarHBondContact O-CA 3.12Å; I54-Q73 HydrophobicContact CB-CG 3.81Å; I54-Q73 HydrophobicContact CG1-CG 4.13Å; I54-Q73 HydrophobicContact CG2-CG 4.42Å; I54-Q73 PolarHBondContact N-O 3.16Å; I54-Q73 PolarHBondContact O-N 3.23Å; I54-L75 HydrophobicContact CD1-CB 4.3Å; I54-L75 HydrophobicContact CD1-CD1 4.4Å; I54-L75 HydrophobicContact CG1-CB 3.99Å; I54-L75 HydrophobicContact CG1-CD1 3.87Å; I54-L75 HydrophobicContact CG1-CG 3.92Å; I54-T93 HydrophobicContact CG2-CG2 4.03Å; I54-C95 HydrophobicContact CD1-CB 3.96Å; I54-C95 VanDerWaalsContact CD1-SG 3.5Å; I54-N102 PolarHBondContact O-ND2 3.16Å |
| 55 | A | 95.3 | Very high | 91 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T93 S94 N102 | A55-T93 CarbonylContact O-C 3.56Å; A55-T93 WeakPolarHBondContact O-CA 3.42Å; A55-S94 PolarHBondContact N-O 3.28Å; A55-S94 PolarHBondContact O-N 3.41Å; A55-N102 HydrophobicContact CB-CB 4.06Å |
| 56 | Q | 93.2 | Very high | 90.6 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.2 | 174.4 | -179.1 | -173.9 | 50.2 | 0 | 0 | 109 | I58 K70 T71 R72 E91 R92 | Q56-I58 HydrophobicContact CG-CD1 4.49Å; Q56-I58 HydrophobicContact CG-CG1 4.24Å; Q56-K70 CarbonylContact O-C 3.35Å; Q56-K70 VanDerWaalsContact O-CA 3.29Å; Q56-K70 WeakPolarHBondContact O-CA 3.41Å; Q56-T71 PolarHBondContact N-O 3.39Å; Q56-T71 PolarHBondContact O-N 3.32Å; Q56-R72 PolarHBondContact O-NH1 3.19Å; Q56-E91 HydrophobicContact CG-CG 4.34Å; Q56-E91 PolarHBondContact NE2-OE1 3.04Å; Q56-R92 CarbonylContact C-O 3.56Å; Q56-R92 WeakPolarHBondContact CA-O 3.48Å |
| 57 | N | 92.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 72.4 Ų | 72.4 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.9 | 173.8 | -59.6 | -49.5 | 0 | 0 | 0 | 108.7 | L69 K70 R72 E91 R92 | N57-L69 WeakPolarHBondContact CA-O 3.38Å; N57-K70 WeakPolarHBondContact OD1-CB 3.42Å; N57-R72 PolarHBondContact OD1-NH1 2.77Å; N57-R72 PolarHBondContact OD1-NH2 2.02Å; N57-E91 WeakPolarHBondContact O-CA 3.35Å; N57-R92 PolarHBondContact N-O 3.24Å; N57-R92 PolarHBondContact O-N 2.99Å |
| 58 | I | 91 | Very high | 90.3 | Very high | 41 Ų | 41 | 68.6 Ų | 68.6 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.2 | -178.6 | -56.3 | 175.5 | 0 | 0 | 0 | 107.9 | Q56 L60 K68 L69 I89 R90 E91 | Q56-I58 HydrophobicContact CG-CD1 4.49Å; Q56-I58 HydrophobicContact CG-CG1 4.24Å; I58-L60 HydrophobicContact CG2-CD2 3.79Å; I58-L60 HydrophobicContact CG2-CG 4.09Å; I58-K68 CarbonylContact O-C 3.56Å; I58-K68 WeakPolarHBondContact O-CA 3.48Å; I58-L69 PolarHBondContact N-O 3.22Å; I58-L69 PolarHBondContact O-N 3.48Å; I58-I89 HydrophobicContact CG2-CG2 3.99Å; I58-R90 CarbonylContact C-O 3.6Å; I58-R90 WeakPolarHBondContact CA-O 3.12Å; I58-E91 HydrophobicContact CG1-CG 4.36Å |
| 59 | E | 92.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.2 | 168.8 | -179.9 | 175.3 | -137.6 | 0 | 0 | 108.3 | R66 R67 K68 I89 R90 | E59-R66 WeakPolarHBondContact OE1-CD 3.48Å; E59-R67 CarbonylContact C-O 3.59Å; E59-R67 WeakPolarHBondContact CA-O 3.47Å; E59-K68 HydrophobicContact CB-CG 4.32Å; E59-K68 HydrophobicContact CG-CG 4.2Å; E59-K68 WeakPolarHBondContact OE1-CE 3.27Å; E59-I89 WeakPolarHBondContact O-CA 3.37Å; E59-R90 HydrophobicContact CB-CB 4.23Å; E59-R90 PolarHBondContact N-O 3.4Å; E59-R90 PolarHBondContact O-N 3.01Å; E59-R90 WeakPolarHBondContact OE2-CD 3.44Å; E59-R90 IonicContact OE2-NH1 3.84Å |
| 60 | L | 91.1 | Very high | 90.7 | Very high | 56 Ų | 56 | 64 Ų | 64 | 29% | 0.293 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.9 | 176.6 | -57.2 | 172.2 | 0 | 0 | 0 | 108.9 | I58 R66 R67 L69 N88 I89 | I58-L60 HydrophobicContact CG2-CD2 3.79Å; I58-L60 HydrophobicContact CG2-CG 4.09Å; L60-R66 CarbonylContact O-C 3.59Å; L60-R66 WeakPolarHBondContact O-CA 3.02Å; L60-R67 HydrophobicContact CB-CB 4.39Å; L60-R67 PolarHBondContact N-O 2Å; L60-R67 PolarHBondContact O-N 2.88Å; L60-L69 HydrophobicContact CD1-CD1 3.97Å; L60-N88 CarbonylContact C-O 3.55Å; L60-I89 HydrophobicContact CD2-CB 4.42Å; L60-I89 HydrophobicContact CD2-CD1 4.21Å; L60-I89 HydrophobicContact CD2-CG1 3.84Å; L60-I89 HydrophobicContact CD2-CG2 4.08Å |
| 61 | I | 89.7 | Confident | 90.8 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 107.8 | 177.7 | -56.8 | 166.5 | 0 | 0 | 0 | 108 | Q65 R66 N88 | I61-Q65 WeakPolarHBondContact CA-O 3.39Å; I61-R66 HydrophobicContact CG1-CG 4.45Å; I61-N88 HydrophobicContact CB-CB 4.2Å; I61-N88 PolarHBondContact N-O 3.35Å; I61-N88 WeakPolarHBondContact O-CB 3.44Å |
| 62 | E | 85.1 | Confident | 91 | Very high | 114 Ų | 114 | 62.4 Ų | 62.4 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.4 | -179.6 | -172.1 | 177.6 | -155.9 | 0 | 0 | 108.5 | S64 Q65 | E62-S64 VanDerWaalsContact C-N 3.27Å; E62-S64 PolarHBondContact O-N 2.71Å; E62-S64 VanDerWaalsContact O-N 3.1Å; E62-Q65 PolarHBondContact N-O 2.82Å; E62-Q65 WeakPolarHBondContact O-CA 2.94Å; E62-Q65 WeakPolarHBondContact O-CB 3.32Å; E62-Q65 PolarHBondContact O-N 3.46Å |
| 63 | D | 77.7 | Confident | 91 | Very high | 151 Ų | 151 | 61 Ų | 61 | 81% | 0.807 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 44.4 | 176.6 | -61.5 | -27.8 | 0 | 0 | 0 | 115 | Q65 | D63-Q65 PolarHBondContact O-N 3.16Š|
| 64 | S | 77.9 | Confident | 91 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 85% | 0.846 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -1.8 | -175.9 | -43.1 | 0 | 0 | 0 | 0 | 116.3 | E62 | E62-S64 VanDerWaalsContact C-N 3.27Å; E62-S64 PolarHBondContact O-N 2.71Å; E62-S64 VanDerWaalsContact O-N 3.1Å |
| 65 | Q | 84.4 | Confident | 91 | Very high | 122 Ų | 122 | 63.4 Ų | 63.4 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 139.1 | 169.6 | -60.9 | -171.9 | 1 | 0 | 0 | 110.5 | I61 E62 D63 | I61-Q65 WeakPolarHBondContact CA-O 3.39Å; E62-Q65 PolarHBondContact N-O 2.82Å; E62-Q65 WeakPolarHBondContact O-CA 2.94Å; E62-Q65 WeakPolarHBondContact O-CB 3.32Å; E62-Q65 PolarHBondContact O-N 3.46Å; D63-Q65 PolarHBondContact O-N 3.16Å |
| 66 | R | 88.3 | Confident | 91 | Very high | 172 Ų | 172 | 66.6 Ų | 66.6 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.1 | 174.6 | -60.8 | -172.3 | -173.9 | 179.5 | 5.2 | 109.4 | E59 L60 I61 | E59-R66 WeakPolarHBondContact OE1-CD 3.48Å; L60-R66 CarbonylContact O-C 3.59Å; L60-R66 WeakPolarHBondContact O-CA 3.02Å; I61-R66 HydrophobicContact CG1-CG 4.45Å |
| 67 | R | 91.4 | Very high | 91.1 | Very high | 136 Ų | 136 | 70.2 Ų | 70.2 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.8 | 173.4 | -66.5 | -175.8 | -179.2 | 174.7 | 5.2 | 109.3 | E59 L60 | E59-R67 CarbonylContact C-O 3.59Å; E59-R67 WeakPolarHBondContact CA-O 3.47Å; L60-R67 HydrophobicContact CB-CB 4.39Å; L60-R67 PolarHBondContact N-O 2Å; L60-R67 PolarHBondContact O-N 2.88Å |
| 68 | K | 92.6 | Very high | 91.1 | Very high | 105 Ų | 105 | 72.2 Ų | 72.2 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.8 | 177 | -66.7 | -178.8 | -178.6 | 177.6 | 0 | 109.7 | I37 I58 E59 | I37-K68 HydrophobicContact CB-CB 4.27Å; I37-K68 HydrophobicContact CD1-CB 4.34Å; I37-K68 HydrophobicContact CG2-CB 4.3Å; I37-K68 PolarHBondContact N-O 2.98Å; I58-K68 CarbonylContact O-C 3.56Å; I58-K68 WeakPolarHBondContact O-CA 3.48Å; E59-K68 HydrophobicContact CB-CG 4.32Å; E59-K68 HydrophobicContact CG-CG 4.2Å; E59-K68 WeakPolarHBondContact OE1-CE 3.27Å |
| 69 | L | 93.6 | Very high | 91 | Very high | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 155 | 179.2 | -56.3 | 178.4 | 0 | 0 | 0 | 109.7 | V35 N57 I58 L60 | V35-L69 CarbonylContact O-C 3.57Å; V35-L69 VanDerWaalsContact O-CA 3.29Å; V35-L69 WeakPolarHBondContact O-CA 3.02Å; N57-L69 WeakPolarHBondContact CA-O 3.38Å; I58-L69 PolarHBondContact N-O 3.22Å; I58-L69 PolarHBondContact O-N 3.48Å; L60-L69 HydrophobicContact CD1-CD1 3.97Å |
| 70 | K | 94.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 75 Ų | 75 | 6% | 0.057 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.4 | 175.2 | 69.4 | 175.2 | 175.5 | -172 | 0 | 112.1 | G34 V35 I37 T39 C41 Q56 N57 | G34-K70 WeakPolarHBondContact CA-O 3.38Å; G34-K70 PolarHBondContact N-O 2.9Å; V35-K70 HydrophobicContact CG2-CG 3.79Å; V35-K70 PolarHBondContact N-O 3.35Å; V35-K70 VanDerWaalsContact N-O 3.09Å; V35-K70 PolarHBondContact O-N 3.08Å; I37-K70 HydrophobicContact CG1-CD 4.28Å; I37-K70 WeakPolarHBondContact O-CE 3.47Å; I37-K70 PolarHBondContact O-NZ 3.44Å; T39-K70 WeakPolarHBondContact O-CE 3.37Å; T39-K70 PolarHBondContact O-NZ 3.42Å; C41-K70 VanDerWaalsContact SG-CE 3.55Å; Q56-K70 CarbonylContact O-C 3.35Å; Q56-K70 VanDerWaalsContact O-CA 3.29Å; Q56-K70 WeakPolarHBondContact O-CA 3.41Å; N57-K70 WeakPolarHBondContact OD1-CB 3.42Å |
| 71 | T | 95.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 9% | 0.092 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.6 | 168.6 | -64.8 | 0 | 0 | 0 | 0 | 108.4 | C32 Y33 G34 Q56 Q73 | C32-T71 CarbonylContact O-C 3.55Å; C32-T71 VanDerWaalsContact O-CA 3.28Å; C32-T71 WeakPolarHBondContact O-CA 3.47Å; Y33-T71 HydrophobicContact CD1-CG2 3.8Å; Y33-T71 HydrophobicContact CE1-CG2 4.31Å; G34-T71 PolarHBondContact N-OG1 2.74Å; G34-T71 VanDerWaalsContact N-OG1 3.13Å; Q56-T71 PolarHBondContact N-O 3.39Å; Q56-T71 PolarHBondContact O-N 3.32Å; T71-Q73 HydrophobicContact CG2-CG 4.36Å |
| 72 | R | 96.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.015 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.8 | 174.5 | -59 | -65 | 178.1 | -89.1 | -5 | 106.5 | Y30 E31 C32 I54 Q56 N57 N102 A104 | Y30-R72 CarbonylContact O-C 3.55Å; Y30-R72 WeakPolarHBondContact O-CB 3.28Å; E31-R72 CarbonylContact C-O 3.57Å; E31-R72 VanDerWaalsContact CA-O 3.25Å; E31-R72 WeakPolarHBondContact CA-O 3.36Å; C32-R72 PolarHBondContact N-O 2.76Å; C32-R72 PolarHBondContact O-N 2.85Å; I54-R72 WeakPolarHBondContact O-CA 3.12Å; Q56-R72 PolarHBondContact O-NH1 3.19Å; N57-R72 PolarHBondContact OD1-NH1 2.77Å; N57-R72 PolarHBondContact OD1-NH2 2.02Å; R72-N102 WeakPolarHBondContact CD-O 3.48Å; R72-N102 PolarHBondContact NE-O 2.79Å; R72-A104 PolarHBondContact NH2-O 3.38Å |
| 73 | Q | 96.4 | Very high | 88 | Confident | 40 Ų | 40 | 78 Ų | 78 | 19% | 0.187 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 160.7 | -174.9 | 58.8 | -174.2 | -30.8 | 0 | 0 | 112 | Y30 Y33 I54 T71 L75 | Y30-Q73 PolarHBondContact O-N 3.34Å; Y33-Q73 HydrophobicContact CE1-CB 4.14Å; I54-Q73 HydrophobicContact CB-CG 3.81Å; I54-Q73 HydrophobicContact CG1-CG 4.13Å; I54-Q73 HydrophobicContact CG2-CG 4.42Å; I54-Q73 PolarHBondContact N-O 3.16Å; I54-Q73 PolarHBondContact O-N 3.23Å; T71-Q73 HydrophobicContact CG2-CG 4.36Å; Q73-L75 HydrophobicContact CG-CG 4.39Å |
| 74 | C | 96.9 | Very high | 88.1 | Confident | 12 Ų | 12 | 74.3 Ų | 74.3 | 8% | 0.081 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136.7 | 167.3 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | C46 D50 | C46-C74 WeakPolarHBondContact CA-SG 3.31Å; C46-C74 HydrophobicContact CB-CB 3.6Å; C46-C74 WeakPolarHBondContact CB-SG 2.92Å; C46-C74 WeakPolarHBondContact SG-CB 3.37Å; C46-C74 CovalentContact SG-SG 2.03Å; C46-C74 PolarHBondContact SG-SG 3.04Å; D50-C74 HydrophobicContact CB-CB 4.04Å |
| 75 | L | 96.1 | Very high | 88.3 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.7 | 167.8 | -70.1 | -177.9 | 0 | 0 | 0 | 111.7 | D50 G51 F52 I54 Q73 F77 P79 | D50-L75 CarbonylContact C-O 3.59Å; G51-L75 PolarHBondContact N-O 3.12Å; F52-L75 PolarHBondContact N-O 3.14Å; F52-L75 PolarHBondContact O-N 3.4Å; I54-L75 HydrophobicContact CD1-CB 4.3Å; I54-L75 HydrophobicContact CD1-CD1 4.4Å; I54-L75 HydrophobicContact CG1-CB 3.99Å; I54-L75 HydrophobicContact CG1-CD1 3.87Å; I54-L75 HydrophobicContact CG1-CG 3.92Å; Q73-L75 HydrophobicContact CG-CG 4.39Å; L75-F77 VanDerWaalsContact CB-O 3.3Å; L75-F77 WeakPolarHBondContact CB-O 3Å; L75-F77 PolarHBondContact O-N 3.3Å; L75-P79 HydrophobicContact CD1-CG 4.24Å |
| 76 | S | 95.3 | Very high | 88.5 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 48% | 0.483 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -73.5 | -11.7 | 172.5 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | S49 D50 | S49-S76 WeakPolarHBondContact O-CA 3.01Å; S49-S76 WeakPolarHBondContact O-CB 3.16Å; D50-S76 PolarHBondContact OD1-N 2.92Å |
| 77 | F | 94.3 | Very high | 88.3 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -143.8 | 157.2 | 177.4 | 68.8 | -81.7 | 0 | 0 | 0 | 110.7 | L75 P79 | L75-F77 VanDerWaalsContact CB-O 3.3Å; L75-F77 WeakPolarHBondContact CB-O 3Å; L75-F77 PolarHBondContact O-N 3.3Å; F77-P79 HydrophobicContact CD2-CB 4.44Å; F77-P79 HydrophobicContact CE2-CB 3.87Å; F77-P79 WeakPolarHBondContact O-CD 3.39Å |
| 78 | C | 92.8 | Very high | 88.2 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | trans | -87.5 | 111.9 | 169.2 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | F52 A80 C95 | F52-C78 HydrophobicContact CD1-CB 4.37Å; C78-A80 PolarHBondContact O-N 2.93Å; C78-C95 WeakPolarHBondContact CA-SG 3.39Å; C78-C95 HydrophobicContact CB-CB 3.54Å; C78-C95 WeakPolarHBondContact CB-SG 3.48Å; C78-C95 WeakPolarHBondContact SG-CB 3.45Å; C78-C95 CovalentContact SG-SG 2.02Å; C78-C95 PolarHBondContact SG-SG 3.31Å | ||
| 79 | P | 88.1 | Confident | 88.1 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 26% | 0.26 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 132.3 | 178.4 | 26.3 | -31.8 | 0 | 0 | 0 | 110.6 | L75 F77 G81 T93 | L75-P79 HydrophobicContact CD1-CG 4.24Å; F77-P79 HydrophobicContact CD2-CB 4.44Å; F77-P79 HydrophobicContact CE2-CB 3.87Å; F77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-G81 PolarHBondContact O-N 2.98Å; P79-T93 HydrophobicContact CG-CG2 4.41Å |
| 80 | A | 79.7 | Confident | 87.8 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 74% | 0.744 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 126.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | C78 V82 | C78-A80 PolarHBondContact O-N 2.93Å; A80-V82 PolarHBondContact O-N 3.41Å |
| 81 | G | 70.8 | Confident | 87.5 | Confident | 53 Ų | 53 | 76.2 Ų | 76.2 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 126.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P79 | P79-G81 PolarHBondContact O-N 2.98Š|
| 82 | V | 72.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 84.7 Ų | 84.7 | 67% | 0.667 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 129.7 | 175 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | A80 I84 | A80-V82 PolarHBondContact O-N 3.41Å; V82-I84 PolarHBondContact O-N 2.98Å |
| 83 | P | 71.6 | Confident | 87 | Confident | 113 Ų | 113 | 86.3 Ų | 86.3 | 73% | 0.734 | 46% | 0.463 | S | S | * | . | trans | -61.5 | 109.5 | 177.8 | -21.3 | 31.7 | 0 | 0 | 0 | 110.6 | R85 | P83-R85 PolarHBondContact O-N 3.29Š| ||
| 84 | I | 80.3 | Confident | 86.9 | Confident | 74 Ų | 74 | 87.3 Ų | 87.3 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | trans | -75.4 | 122.3 | 170.4 | -56.3 | -176.6 | 0 | 0 | 0 | 107.7 | V82 D86 I89 E91 | V82-I84 PolarHBondContact O-N 2.98Å; I84-D86 HydrophobicContact CG2-CB 4.04Å; I84-I89 HydrophobicContact CD1-CG2 3.62Å; I84-I89 HydrophobicContact CG2-CB 3.84Å; I84-I89 HydrophobicContact CG2-CD1 4.25Å; I84-I89 HydrophobicContact CG2-CG2 4.03Å; I84-E91 HydrophobicContact CD1-CB 3.83Å; I84-E91 VanDerWaalsContact CD1-OE2 3.29Å; I84-E91 WeakPolarHBondContact CD1-OE2 3.41Å | ||
| 85 | R | 83.1 | Confident | 86.8 | Confident | 243 Ų | 243 | 88.5 Ų | 88.5 | 92% | 0.917 | 48% | 0.482 | S | S | * | . | trans | -84.4 | -11.7 | -178.8 | -67.6 | -175 | 178.9 | -140.1 | 0.8 | 113.7 | P83 P87 | P83-R85 PolarHBondContact O-N 3.29Å; R85-P87 WeakPolarHBondContact O-CD 3.5Å | ||
| 86 | D | 87.1 | Confident | 86.7 | Confident | 69 Ų | 69 | 88.3 Ų | 88.3 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | trans | -74.4 | 116.7 | 176.6 | -169.7 | -26.6 | 0 | 0 | 0 | 109.8 | I84 N88 I89 | I84-D86 HydrophobicContact CG2-CB 4.04Å; D86-N88 PolarHBondContact O-N 2.91Å; D86-N88 VanDerWaalsContact O-N 3.16Å; D86-N88 VanDerWaalsContact OD1-CB 3.24Å; D86-N88 WeakPolarHBondContact OD1-CB 3.49Å; D86-N88 PolarHBondContact OD1-N 3.39Å; D86-N88 PolarHBondContact OD1-ND2 3.26Å; D86-I89 HydrophobicContact CB-CB 4.33Å; D86-I89 HydrophobicContact CB-CD1 3.97Å; D86-I89 HydrophobicContact CB-CG1 3.98Å; D86-I89 PolarHBondContact O-N 3.24Å; D86-I89 VanDerWaalsContact O-N 3.12Å | ||
| 87 | P | 84.8 | Confident | 86.7 | Confident | 108 Ų | 108 | 88.7 Ų | 88.7 | 70% | 0.701 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.6 | 179.8 | 28.5 | -36.5 | 0 | 0 | 0 | 113.5 | R85 I89 | R85-P87 WeakPolarHBondContact O-CD 3.5Å; P87-I89 VanDerWaalsContact C-N 3.3Å |
| 88 | N | 89.9 | Confident | 86.7 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.1 | 178.8 | -60.4 | -51.8 | 0 | 0 | 0 | 113.1 | L60 I61 D86 | L60-N88 CarbonylContact C-O 3.55Å; I61-N88 HydrophobicContact CB-CB 4.2Å; I61-N88 PolarHBondContact N-O 3.35Å; I61-N88 WeakPolarHBondContact O-CB 3.44Å; D86-N88 PolarHBondContact O-N 2.91Å; D86-N88 VanDerWaalsContact O-N 3.16Å; D86-N88 VanDerWaalsContact OD1-CB 3.24Å; D86-N88 WeakPolarHBondContact OD1-CB 3.49Å; D86-N88 PolarHBondContact OD1-N 3.39Å; D86-N88 PolarHBondContact OD1-ND2 3.26Å |
| 89 | I | 89.3 | Confident | 86.9 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.6 | -179 | -54 | -178.8 | 0 | 0 | 0 | 108.9 | I58 E59 L60 I84 D86 P87 | I58-I89 HydrophobicContact CG2-CG2 3.99Å; E59-I89 WeakPolarHBondContact O-CA 3.37Å; L60-I89 HydrophobicContact CD2-CB 4.42Å; L60-I89 HydrophobicContact CD2-CD1 4.21Å; L60-I89 HydrophobicContact CD2-CG1 3.84Å; L60-I89 HydrophobicContact CD2-CG2 4.08Å; I84-I89 HydrophobicContact CD1-CG2 3.62Å; I84-I89 HydrophobicContact CG2-CB 3.84Å; I84-I89 HydrophobicContact CG2-CD1 4.25Å; I84-I89 HydrophobicContact CG2-CG2 4.03Å; D86-I89 HydrophobicContact CB-CB 4.33Å; D86-I89 HydrophobicContact CB-CD1 3.97Å; D86-I89 HydrophobicContact CB-CG1 3.98Å; D86-I89 PolarHBondContact O-N 3.24Å; D86-I89 VanDerWaalsContact O-N 3.12Å; P87-I89 VanDerWaalsContact C-N 3.3Å |
| 90 | R | 88.8 | Confident | 87.2 | Confident | 149 Ų | 149 | 92.7 Ų | 92.7 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.3 | 171.7 | -61.2 | 174.6 | 174 | -171.2 | -5.6 | 109.2 | I58 E59 | I58-R90 CarbonylContact C-O 3.6Å; I58-R90 WeakPolarHBondContact CA-O 3.12Å; E59-R90 HydrophobicContact CB-CB 4.23Å; E59-R90 PolarHBondContact N-O 3.4Å; E59-R90 PolarHBondContact O-N 3.01Å; E59-R90 WeakPolarHBondContact OE2-CD 3.44Å; E59-R90 IonicContact OE2-NH1 3.84Å |
| 91 | E | 88.9 | Confident | 88 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.4 | 178.5 | -177.1 | -174.5 | -168.5 | 0 | 0 | 110.5 | Q56 N57 I58 I84 T93 | Q56-E91 HydrophobicContact CG-CG 4.34Å; Q56-E91 PolarHBondContact NE2-OE1 3.04Å; N57-E91 WeakPolarHBondContact O-CA 3.35Å; I58-E91 HydrophobicContact CG1-CG 4.36Å; I84-E91 HydrophobicContact CD1-CB 3.83Å; I84-E91 VanDerWaalsContact CD1-OE2 3.29Å; I84-E91 WeakPolarHBondContact CD1-OE2 3.41Å; E91-T93 PolarHBondContact OE1-OG1 3.4Å |
| 92 | R | 89.5 | Confident | 89.2 | Confident | 192 Ų | 192 | 87.9 Ų | 87.9 | 73% | 0.725 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.8 | 167.4 | 178.3 | -179.6 | -88.8 | -153.4 | -5.2 | 109.1 | Q56 N57 | Q56-R92 CarbonylContact C-O 3.56Å; Q56-R92 WeakPolarHBondContact CA-O 3.48Å; N57-R92 PolarHBondContact N-O 3.24Å; N57-R92 PolarHBondContact O-N 2.99Å |
| 93 | T | 91.8 | Very high | 90 | Very high | 39 Ų | 39 | 85.1 Ų | 85.1 | 24% | 0.239 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.3 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | I54 A55 P79 E91 | I54-T93 HydrophobicContact CG2-CG2 4.03Å; A55-T93 CarbonylContact O-C 3.56Å; A55-T93 WeakPolarHBondContact O-CA 3.42Å; P79-T93 HydrophobicContact CG-CG2 4.41Å; E91-T93 PolarHBondContact OE1-OG1 3.4Å |
| 94 | S | 92.8 | Very high | 89.9 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.5 | 173.2 | 59 | 0 | 0 | 0 | 0 | 110.2 | A55 | A55-S94 PolarHBondContact N-O 3.28Å; A55-S94 PolarHBondContact O-N 3.41Å |
| 95 | C | 94.9 | Very high | 88.8 | Confident | 37 Ų | 37 | 82.8 Ų | 82.8 | 25% | 0.25 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.4 | 179.7 | -46.2 | 0 | 0 | 0 | 0 | 109.9 | F52 C53 I54 C78 | F52-C95 HydrophobicContact CD1-CB 4.38Å; C53-C95 WeakPolarHBondContact O-CA 3.21Å; I54-C95 HydrophobicContact CD1-CB 3.96Å; I54-C95 VanDerWaalsContact CD1-SG 3.5Å; C78-C95 WeakPolarHBondContact CA-SG 3.39Å; C78-C95 HydrophobicContact CB-CB 3.54Å; C78-C95 WeakPolarHBondContact CB-SG 3.48Å; C78-C95 WeakPolarHBondContact SG-CB 3.45Å; C78-C95 CovalentContact SG-SG 2.02Å; C78-C95 PolarHBondContact SG-SG 3.31Å |
| 96 | C | 95.3 | Very high | 87.1 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 159.8 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | F52 C53 C101 | F52-C96 CarbonylContact C-O 3.58Å; F52-C96 WeakPolarHBondContact CA-O 3.18Å; C53-C96 PolarHBondContact N-O 2.81Å; C53-C96 PolarHBondContact O-N 2.89Å; C96-C101 VanDerWaalsContact C-SG 3.53Å; C96-C101 HydrophobicContact CB-CB 3.76Å; C96-C101 WeakPolarHBondContact CB-SG 3.29Å; C96-C101 WeakPolarHBondContact SG-CB 3.27Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.39Å |
| 97 | S | 94.8 | Very high | 85.2 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 54% | 0.538 | 43% | 0.425 | S | S | . | . | trans | -123.7 | 32.2 | -170.8 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | G51 | G51-S97 WeakPolarHBondContact O-CB 3.44Š| ||
| 98 | E | 94.4 | Very high | 82.9 | Confident | 143 Ų | 143 | 75.8 Ų | 75.8 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -123.1 | 156.5 | 177.6 | -66.3 | -179.6 | 164.9 | 0 | 0 | 109.4 | C53 L100 C101 | C53-E98 PolarHBondContact SG-O 3.11Å; E98-L100 PolarHBondContact O-N 3.34Å; E98-C101 HydrophobicContact CB-CB 4.12Å; E98-C101 WeakPolarHBondContact O-CB 3.33Å; E98-C101 PolarHBondContact O-N 3.07Å; E98-C101 PolarHBondContact O-SG 2.87Å |
| 99 | D | 96 | Very high | 80.6 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 131.5 | -180 | -75.1 | -20.5 | 0 | 0 | 0 | 111.8 | L27 Q28 C101 | L27-D99 WeakPolarHBondContact CA-OD1 3.44Å; Q28-D99 HydrophobicContact CB-CB 4.13Å; Q28-D99 PolarHBondContact N-OD1 3.06Å; Q28-D99 CarbonylContact O-C 3.5Å; Q28-D99 WeakPolarHBondContact O-CA 3.45Å; D99-C101 PolarHBondContact O-N 2.96Å |
| 100 | L | 95.9 | Very high | 77.9 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 32% | 0.319 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 16.1 | 175.1 | -53.8 | 177.4 | 0 | 0 | 0 | 114.5 | Q28 Y30 A43 E98 N102 A103 | Q28-L100 HydrophobicContact CB-CD2 3.73Å; Q28-L100 HydrophobicContact CB-CG 3.99Å; Q28-L100 PolarHBondContact O-N 3.3Å; Y30-L100 HydrophobicContact CD2-CB 4.47Å; Y30-L100 HydrophobicContact CE1-CD2 4.43Å; Y30-L100 HydrophobicContact CE2-CB 3.86Å; Y30-L100 HydrophobicContact CE2-CD2 4.28Å; Y30-L100 WeakPolarHBondContact CE2-O 3.42Å; A43-L100 HydrophobicContact CB-CD2 3.67Å; E98-L100 PolarHBondContact O-N 3.34Å; L100-N102 PolarHBondContact O-N 3.2Å; L100-N102 VanDerWaalsContact O-N 3.16Å; L100-A103 PolarHBondContact O-N 3.47Å |
| 101 | C | 95.7 | Very high | 75.4 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 27% | 0.27 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -67.8 | -17.6 | -173.9 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | C96 E98 D99 A103 | C96-C101 VanDerWaalsContact C-SG 3.53Å; C96-C101 HydrophobicContact CB-CB 3.76Å; C96-C101 WeakPolarHBondContact CB-SG 3.29Å; C96-C101 WeakPolarHBondContact SG-CB 3.27Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.39Å; E98-C101 HydrophobicContact CB-CB 4.12Å; E98-C101 WeakPolarHBondContact O-CB 3.33Å; E98-C101 PolarHBondContact O-N 3.07Å; E98-C101 PolarHBondContact O-SG 2.87Å; D99-C101 PolarHBondContact O-N 2.96Å; C101-A103 PolarHBondContact O-N 3.47Å |
| 102 | N | 95.5 | Very high | 74.7 | Confident | 1 Ų | 1 | 82.7 Ų | 82.7 | 1% | 0.005 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -81.9 | 17.6 | 176.1 | 70.6 | -20.4 | 0 | 0 | 0 | 113.7 | Y30 C53 I54 A55 R72 L100 A104 | Y30-N102 WeakPolarHBondContact CB-OD1 3.47Å; Y30-N102 WeakPolarHBondContact CD2-OD1 3.4Å; Y30-N102 PolarHBondContact N-OD1 3.45Å; Y30-N102 PolarHBondContact O-ND2 2.97Å; C53-N102 HydrophobicContact CB-CB 3.68Å; I54-N102 PolarHBondContact O-ND2 3.16Å; A55-N102 HydrophobicContact CB-CB 4.06Å; R72-N102 WeakPolarHBondContact CD-O 3.48Å; R72-N102 PolarHBondContact NE-O 2.79Å; L100-N102 PolarHBondContact O-N 3.2Å; L100-N102 VanDerWaalsContact O-N 3.16Å; N102-A104 PolarHBondContact O-N 3.32Å; N102-A104 VanDerWaalsContact O-N 3.08Å |
| 103 | A | 89.3 | Confident | 73.9 | Confident | 53 Ų | 53 | 76.9 Ų | 76.9 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -56.2 | -23.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y30 L100 C101 V105 | Y30-A103 HydrophobicContact CD2-CB 4.06Å; Y30-A103 HydrophobicContact CE2-CB 3.61Å; L100-A103 PolarHBondContact O-N 3.47Å; C101-A103 PolarHBondContact O-N 3.47Å; A103-V105 PolarHBondContact O-N 3.46Å; A103-V105 VanDerWaalsContact O-N 3.16Å |
| 104 | A | 69.6 | Low | 72.9 | Confident | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | trans | -45.7 | 120.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R72 N102 | R72-A104 PolarHBondContact NH2-O 3.38Å; N102-A104 PolarHBondContact O-N 3.32Å; N102-A104 VanDerWaalsContact O-N 3.08Å | ||
| 105 | V | 57.4 | Low | 71.8 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | trans | -106.6 | 125 | 164.2 | -178.5 | 0 | 0 | 0 | 0 | 106.4 | A103 | A103-V105 PolarHBondContact O-N 3.46Å; A103-V105 VanDerWaalsContact O-N 3.16Å | ||
| 106 | P | 48.3 | Very low | 70.3 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 32% | 0.318 | 55% | 0.547 | S | S | . | . | trans | -87.2 | 135.8 | 167.4 | 25.4 | -13.7 | 0 | 0 | 0 | 109.4 | I37 | I37-P106 HydrophobicContact CD1-CG 3.49Å; I37-P106 VanDerWaalsContact CD1-CG 3.49Å | ||
| 107 | T | 45.9 | Very low | 68.7 | Low | 124 Ų | 124 | 85.9 Ų | 85.9 | 76% | 0.761 | 57% | 0.567 | S | S | * | * | cis | -160.7 | 119.9 | 6.1 | -48.1 | 0 | 0 | 0 | 0 | 104.4 | G109 | T107-G109 PolarHBondContact O-N 3.1Š| ||
| 108 | A | 36.3 | Very low | 66.8 | Low | 100 Ų | 100 | 86.5 Ų | 86.5 | 83% | 0.826 | 57% | 0.569 | S | S | * | * | trans | -70 | 127.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S110 | A108-S110 PolarHBondContact O-N 3.07Š| ||
| 109 | G | 42.1 | Very low | 64.7 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 74% | 0.742 | 56% | 0.561 | S | S | * | * | trans | -48.7 | 129.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T107 T111 | T107-G109 PolarHBondContact O-N 3.1Å; G109-T111 PolarHBondContact O-N 3.2Å | ||
| 110 | S | 32.7 | Very low | 62.1 | Low | 124 Ų | 124 | 80.5 Ų | 80.5 | 87% | 0.867 | 56% | 0.563 | S | S | * | * | trans | -80.9 | 104.9 | 153.9 | -160.3 | 0 | 0 | 0 | 0 | 105.6 | A108 | A108-S110 PolarHBondContact O-N 3.07Š| ||
| 111 | T | 36.1 | Very low | 59 | Low | 204 Ų | 204 | 82.3 Ų | 82.3 | 100% | 1.252 | 59% | 0.585 | S | S | * | * | trans | -55.2 | 0 | 158.4 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | G109 | G109-T111 PolarHBondContact O-N 3.2Š|
Retrieved 111 of 111 residues in 64.4 ms
(Link to these results)