| 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 | 49.2 | Very low | 62.7 | Low | 221 Ų | 221 | 110.8 Ų | 110.8 | 100% | 1.089 | 62% | 0.618 | S | S | * | * | 0 | 110 | 0 | -108.2 | 132.4 | 67.3 | 0 | 0 | 104.7 | |||||
| 2 | D | 51.4 | Low | 64.2 | Low | 112 Ų | 112 | 110.3 Ų | 110.3 | 60% | 0.599 | 61% | 0.613 | S | S | * | * | cis | -155.1 | 42.1 | 49.8 | -78.9 | -69.3 | 0 | 0 | 0 | 113.5 | S4 T6 | D2-S4 VanDerWaalsContact C-N 3.28Å; D2-S4 PolarHBondContact O-N 3.34Å; D2-T6 PolarHBondContact O-OG1 3.15Å | ||
| 3 | T | 54.8 | Low | 65.6 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 71% | 0.712 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -24.9 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 113 | H5 T6 T7 | T3-H5 VanDerWaalsContact C-N 3.3Å; T3-H5 PolarHBondContact O-N 3.39Å; T3-T6 PolarHBondContact O-OG1 2.84Å; T3-T7 PolarHBondContact O-N 3.43Å; T3-T7 PolarHBondContact O-OG1 3.42Å |
| 4 | S | 56.8 | Low | 66.8 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -33.7 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 113.2 | D2 K8 | D2-S4 VanDerWaalsContact C-N 3.28Å; D2-S4 PolarHBondContact O-N 3.34Å; S4-K8 PolarHBondContact O-N 3.23Å |
| 5 | H | 57.8 | Low | 67.7 | Low | 147 Ų | 147 | 108.9 Ų | 108.9 | 68% | 0.681 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76 | -37 | -174.5 | -136.7 | -95.4 | 0 | 0 | 0 | 112 | T3 S9 | T3-H5 VanDerWaalsContact C-N 3.3Å; T3-H5 PolarHBondContact O-N 3.39Å; H5-S9 PolarHBondContact O-N 3.43Å |
| 6 | T | 59.8 | Low | 68.5 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 56% | 0.564 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.9 | -42.5 | 177.8 | -0.8 | 0 | 0 | 0 | 0 | 110.9 | D2 T3 S9 C10 | D2-T6 PolarHBondContact O-OG1 3.15Å; T3-T6 PolarHBondContact O-OG1 2.84Å; T6-S9 PolarHBondContact O-N 3.44Å; T6-C10 PolarHBondContact O-N 3.13Å; T6-C10 VanDerWaalsContact O-N 3.15Å; T6-C10 PolarHBondContact O-SG 3.42Å |
| 7 | T | 61.8 | Low | 69.1 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.7 | -40.7 | 178.7 | -24.7 | 0 | 0 | 0 | 0 | 112.1 | T3 S9 C10 V11 | T3-T7 PolarHBondContact O-N 3.43Å; T3-T7 PolarHBondContact O-OG1 3.42Å; T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 3.32Å; T7-C10 PolarHBondContact O-N 3.39Å; T7-V11 VanDerWaalsContact O-CG2 3.31Å; T7-V11 WeakPolarHBondContact O-CG2 3.43Å; T7-V11 PolarHBondContact O-N 3.44Å; T7-V11 VanDerWaalsContact O-N 3.13Å |
| 8 | K | 64 | Low | 69.5 | Low | 147 Ų | 147 | 106 Ų | 106 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.8 | -39.8 | 175.6 | -100 | -177.7 | 77.8 | 163.7 | 0 | 112.3 | S4 L12 | S4-K8 PolarHBondContact O-N 3.23Å; K8-L12 WeakPolarHBondContact O-CG 3.32Å; K8-L12 PolarHBondContact O-N 3.3Å; K8-L12 VanDerWaalsContact O-N 3.16Å |
| 9 | S | 74.1 | Confident | 69.6 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 42% | 0.42 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.4 | -44.5 | 179 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | H5 T6 T7 V11 L12 I13 | H5-S9 PolarHBondContact O-N 3.43Å; T6-S9 PolarHBondContact O-N 3.44Å; T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 3.32Å; S9-V11 PolarHBondContact O-N 2.96Å; S9-L12 PolarHBondContact O-N 3.06Å; S9-I13 WeakPolarHBondContact O-CG1 3.31Å; S9-I13 PolarHBondContact O-N 3.48Å |
| 10 | C | 77.1 | Confident | 69.4 | Low | 71 Ų | 71 | 106.6 Ų | 106.6 | 48% | 0.48 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.7 | -40 | 177.8 | -66.7 | 0 | 0 | 0 | 0 | 113.1 | T6 T7 L12 I13 L14 | T6-C10 PolarHBondContact O-N 3.13Å; T6-C10 VanDerWaalsContact O-N 3.15Å; T6-C10 PolarHBondContact O-SG 3.42Å; T7-C10 PolarHBondContact O-N 3.39Å; C10-L12 VanDerWaalsContact C-N 3.33Å; C10-L12 PolarHBondContact O-N 3.18Å; C10-I13 PolarHBondContact O-N 3.16Å; C10-L14 WeakPolarHBondContact O-CG 3.3Å; C10-L14 PolarHBondContact O-N 3.29Å |
| 11 | V | 82.7 | Confident | 69.2 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.6 | -40.4 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | T7 S9 L14 L15 | T7-V11 VanDerWaalsContact O-CG2 3.31Å; T7-V11 WeakPolarHBondContact O-CG2 3.43Å; T7-V11 PolarHBondContact O-N 3.44Å; T7-V11 VanDerWaalsContact O-N 3.13Å; S9-V11 PolarHBondContact O-N 2.96Å; V11-L14 PolarHBondContact O-N 3.45Å; V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 2.99Å |
| 12 | L | 80.9 | Confident | 69.6 | Low | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -42.3 | 175.7 | -72.6 | 168.3 | 0 | 0 | 0 | 111.8 | K8 S9 C10 L15 V16 | K8-L12 WeakPolarHBondContact O-CG 3.32Å; K8-L12 PolarHBondContact O-N 3.3Å; K8-L12 VanDerWaalsContact O-N 3.16Å; S9-L12 PolarHBondContact O-N 3.06Å; C10-L12 VanDerWaalsContact C-N 3.33Å; C10-L12 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 3.37Å |
| 13 | I | 82.1 | Confident | 70.1 | Confident | 110 Ų | 110 | 106.6 Ų | 106.6 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.3 | -43.3 | 177.5 | -66.1 | 163.1 | 0 | 0 | 0 | 111.1 | S9 C10 V16 A17 | S9-I13 WeakPolarHBondContact O-CG1 3.31Å; S9-I13 PolarHBondContact O-N 3.48Å; C10-I13 PolarHBondContact O-N 3.16Å; I13-V16 PolarHBondContact O-N 3.49Å; I13-A17 PolarHBondContact O-N 3.34Å |
| 14 | L | 83 | Confident | 70.5 | Confident | 111 Ų | 111 | 104.8 Ų | 104.8 | 58% | 0.581 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -40.9 | 177.2 | -74.9 | 165 | 0 | 0 | 0 | 112.2 | C10 V11 A17 L18 | C10-L14 WeakPolarHBondContact O-CG 3.3Å; C10-L14 PolarHBondContact O-N 3.29Å; V11-L14 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 2.97Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.88Å |
| 15 | L | 80.7 | Confident | 71 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 47% | 0.466 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.8 | -46.1 | 174.9 | -82.8 | 160.5 | 0 | 0 | 0 | 111.4 | V11 L12 A17 L18 L19 | V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 2.99Å; L12-L15 PolarHBondContact O-N 3.25Å; L15-A17 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.36Å; L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 VanDerWaalsContact O-CD1 3.3Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.99Å |
| 16 | V | 80.2 | Confident | 71.9 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 53% | 0.527 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -44.2 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111 | L12 I13 L18 L19 C20 | L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 3.37Å; I13-V16 PolarHBondContact O-N 3.49Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.02Å; V16-L19 PolarHBondContact O-N 3.16Å; V16-C20 WeakPolarHBondContact O-CB 3.45Å; V16-C20 PolarHBondContact O-N 3.38Å; V16-C20 PolarHBondContact O-SG 2.88Å |
| 17 | A | 78.6 | Confident | 73.1 | Confident | 61 Ų | 61 | 99.8 Ų | 99.8 | 50% | 0.504 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -36.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I13 L14 L15 A21 | I13-A17 PolarHBondContact O-N 3.34Å; L14-A17 PolarHBondContact O-N 2.97Å; L15-A17 PolarHBondContact O-N 3.37Å; A17-A21 PolarHBondContact O-N 3Å |
| 18 | L | 76.6 | Confident | 74.3 | Confident | 126 Ų | 126 | 101.9 Ų | 101.9 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.3 | -33.4 | 176.1 | -70.9 | 168.2 | 0 | 0 | 0 | 113 | L14 L15 V16 A21 | L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.88Å; L15-L18 PolarHBondContact O-N 3.36Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.02Å; L18-A21 WeakPolarHBondContact O-CB 3.38Å; L18-A21 PolarHBondContact O-N 3.24Å |
| 19 | L | 70.6 | Confident | 75.4 | Confident | 133 Ų | 133 | 95 Ų | 95 | 70% | 0.696 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.1 | -36.3 | 173.7 | -78.4 | 151.6 | 0 | 0 | 0 | 111.4 | L15 V16 A21 | L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 VanDerWaalsContact O-CD1 3.3Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.99Å; V16-L19 PolarHBondContact O-N 3.16Å; L19-A21 VanDerWaalsContact C-N 3.29Å |
| 20 | C | 66.3 | Low | 75.9 | Confident | 91 Ų | 91 | 99.1 Ų | 99.1 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -78.7 | -10.6 | 173.6 | -66 | 0 | 0 | 0 | 0 | 113.4 | V16 E22 | V16-C20 WeakPolarHBondContact O-CB 3.45Å; V16-C20 PolarHBondContact O-N 3.38Å; V16-C20 PolarHBondContact O-SG 2.88Å; C20-E22 PolarHBondContact O-N 3.27Å |
| 21 | A | 64.4 | Low | 76.1 | Confident | 65 Ų | 65 | 98.6 Ų | 98.6 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -73.4 | 63.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | A17 L18 L19 R23 | A17-A21 PolarHBondContact O-N 3Å; L18-A21 WeakPolarHBondContact O-CB 3.38Å; L18-A21 PolarHBondContact O-N 3.24Å; L19-A21 VanDerWaalsContact C-N 3.29Å; A21-R23 PolarHBondContact O-N 2.98Å; A21-R23 VanDerWaalsContact O-N 3.16Å |
| 22 | E | 58.1 | Low | 75.9 | Confident | 171 Ų | 171 | 95.9 Ų | 95.9 | 80% | 0.799 | 51% | 0.509 | S | S | * | . | trans | -47.7 | 126.5 | 165.3 | -75.9 | 177.2 | 115.6 | 0 | 0 | 106.3 | C20 A24 | C20-E22 PolarHBondContact O-N 3.27Å; E22-A24 VanDerWaalsContact C-N 3.31Å; E22-A24 PolarHBondContact O-N 2.74Å | ||
| 23 | R | 61.1 | Low | 75.7 | Confident | 204 Ų | 204 | 96.3 Ų | 96.3 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | trans | -59.2 | 104 | 177.1 | -73.6 | -166.9 | -179.4 | -134.5 | 1 | 106.6 | A21 Q25 | A21-R23 PolarHBondContact O-N 2.98Å; A21-R23 VanDerWaalsContact O-N 3.16Å; R23-Q25 HydrophobicContact CB-CG 4.07Å; R23-Q25 VanDerWaalsContact NH1-NE2 3.16Å; R23-Q25 PolarHBondContact O-N 2.76Å | ||
| 24 | A | 63 | Low | 75.3 | Confident | 77 Ų | 77 | 93.3 Ų | 93.3 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | trans | -68.3 | 47.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E22 G26 A48 | E22-A24 VanDerWaalsContact C-N 3.31Å; E22-A24 PolarHBondContact O-N 2.74Å; A24-G26 VanDerWaalsContact C-N 3.25Å; A24-G26 PolarHBondContact O-N 2.83Å; A24-A48 HydrophobicContact CB-CB 3.82Å | ||
| 25 | Q | 68.9 | Low | 74.9 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 66% | 0.664 | 48% | 0.483 | S | S | * | . | trans | -68.2 | 97.1 | 163 | -76.1 | 174.1 | -8.6 | 0 | 0 | 104.4 | R23 | R23-Q25 HydrophobicContact CB-CG 4.07Å; R23-Q25 VanDerWaalsContact NH1-NE2 3.16Å; R23-Q25 PolarHBondContact O-N 2.76Å | ||
| 26 | G | 76.3 | Confident | 74.7 | Confident | 16 Ų | 16 | 88.4 Ų | 88.4 | 17% | 0.165 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 151.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A24 Q28 C46 | A24-G26 VanDerWaalsContact C-N 3.25Å; A24-G26 PolarHBondContact O-N 2.83Å; G26-Q28 PolarHBondContact O-N 2.78Å; G26-C46 WeakPolarHBondContact CA-O 3.14Å |
| 27 | L | 84.8 | Confident | 74.2 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 136.7 | 178.7 | -177 | 67.9 | 0 | 0 | 0 | 110.7 | C46 F52 | L27-C46 HydrophobicContact CB-CB 4.24Å; L27-C46 VanDerWaalsContact O-CB 3.28Å; L27-C46 WeakPolarHBondContact O-CB 3.3Å; L27-C46 PolarHBondContact O-N 2.03Å; L27-C46 PolarHBondContact O-SG 3.22Å; L27-F52 VanDerWaalsContact CD2-CA 3.45Å |
| 28 | Q | 87.6 | Confident | 74.1 | Confident | 134 Ų | 134 | 93.2 Ų | 93.2 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.2 | 169.7 | -79.6 | -173.2 | 35.1 | 0 | 0 | 110.8 | G26 V44 | G26-Q28 PolarHBondContact O-N 2.78Å; Q28-V44 CarbonylContact C-O 3.55Å; Q28-V44 VanDerWaalsContact CA-O 3.31Å; Q28-V44 WeakPolarHBondContact CA-O 3.38Å |
| 29 | C | 86.1 | Confident | 74.3 | Confident | 2 Ų | 2 | 90.1 Ų | 90.1 | 1% | 0.014 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.7 | 178.7 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | A43 V44 C46 C53 P75 | C29-A43 CarbonylContact O-C 3.56Å; C29-A43 WeakPolarHBondContact O-CA 3.02Å; C29-V44 PolarHBondContact N-O 3.08Å; C29-V44 WeakPolarHBondContact O-CG2 3.34Å; C29-V44 PolarHBondContact O-N 2.86Å; C29-C46 PolarHBondContact SG-SG 3.24Å; C29-C53 VanDerWaalsContact CA-SG 3.5Å; C29-C53 HydrophobicContact CB-CB 3.81Å; C29-C53 WeakPolarHBondContact CB-SG 2.99Å; C29-C53 VanDerWaalsContact SG-CA 3.58Å; C29-C53 WeakPolarHBondContact SG-CB 3.45Å; C29-C53 CovalentContact SG-SG 2.03Å; C29-C53 PolarHBondContact SG-SG 3.41Å; C29-P75 HydrophobicContact CB-CB 3.94Å; C29-P75 VanDerWaalsContact CB-O 3.23Å; C29-P75 WeakPolarHBondContact CB-O 3.17Å; C29-P75 PolarHBondContact SG-O 3.39Å |
| 30 | Y | 84.9 | Confident | 74.9 | Confident | 148 Ų | 148 | 89.2 Ų | 89.2 | 58% | 0.58 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 132.4 | 172.3 | -64.1 | -72.5 | 0 | 0 | 0 | 110.8 | C41 P42 A43 K73 | Y30-C41 VanDerWaalsContact CD1-O 3.3Å; Y30-C41 WeakPolarHBondContact CD1-O 3.38Å; Y30-P42 CarbonylContact C-O 3.6Å; Y30-P42 WeakPolarHBondContact CA-O 3.28Å; Y30-A43 HydrophobicContact CD1-CB 4.23Å; Y30-A43 HydrophobicContact CE1-CB 4.21Å; Y30-K73 WeakPolarHBondContact O-CD 3.43Å; Y30-K73 WeakPolarHBondContact O-CE 3.4Å; Y30-K73 PolarHBondContact O-NZ 2.97Å |
| 31 | E | 80.6 | Confident | 75.8 | Confident | 59 Ų | 59 | 86 Ų | 86 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | trans | -122 | 129 | -178.7 | -175.5 | 179.7 | -126 | 0 | 0 | 111.6 | Y33 P42 V44 P75 | E31-Y33 HydrophobicContact CG-CE2 3.77Å; E31-Y33 PolarHBondContact OE1-OH 2.9Å; E31-Y33 VanDerWaalsContact OE1-OH 3.05Å; E31-P42 PolarHBondContact N-O 3.14Å; E31-P42 VanDerWaalsContact O-CD 3.28Å; E31-P42 WeakPolarHBondContact O-CD 3.34Å; E31-P42 WeakPolarHBondContact O-CG 3.33Å; E31-V44 HydrophobicContact CB-CG1 3.84Å; E31-V44 HydrophobicContact CB-CG2 3.86Å; E31-V44 WeakPolarHBondContact OE2-CG1 3.25Å; E31-P75 HydrophobicContact CB-CB 4.06Å; E31-P75 HydrophobicContact CB-CG 4.05Å; E31-P75 HydrophobicContact CG-CB 4.36Å; E31-P75 HydrophobicContact CG-CG 3.89Å; E31-P75 WeakPolarHBondContact OE1-CG 3.4Å | ||
| 32 | C | 78.7 | Confident | 76.8 | Confident | 20 Ų | 20 | 87.1 Ų | 87.1 | 14% | 0.135 | 46% | 0.459 | C | S | . | . | trans | -164.9 | 153.5 | 176.7 | 36.7 | 0 | 0 | 0 | 0 | 110.1 | V35 C41 K73 | C32-V35 HydrophobicContact CB-CG2 3.7Å; C32-C41 HydrophobicContact CB-CB 3.69Å; C32-C41 WeakPolarHBondContact CB-SG 3.44Å; C32-C41 WeakPolarHBondContact SG-CB 3.28Å; C32-C41 CovalentContact SG-SG 2.02Å; C32-C41 PolarHBondContact SG-SG 2.76Å; C32-K73 WeakPolarHBondContact O-CB 3Å | ||
| 33 | Y | 76.7 | Confident | 78.1 | Confident | 114 Ų | 114 | 81.5 Ų | 81.5 | 45% | 0.447 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.8 | -174 | -61.6 | -82.9 | 0 | 0 | 0 | 109.7 | E31 V35 Y72 K73 | E31-Y33 HydrophobicContact CG-CE2 3.77Å; E31-Y33 PolarHBondContact OE1-OH 2.9Å; E31-Y33 VanDerWaalsContact OE1-OH 3.05Å; Y33-V35 PolarHBondContact O-N 2.91Å; Y33-Y72 HydrophobicContact CD1-CD2 4.23Å; Y33-Y72 HydrophobicContact CD1-CE2 4.07Å; Y33-K73 WeakPolarHBondContact CE1-O 3.47Å; Y33-K73 VanDerWaalsContact CZ-O 3.29Å; Y33-K73 PolarHBondContact OH-O 3.47Å |
| 34 | G | 73.6 | Confident | 79.3 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 49% | 0.485 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.5 | 10.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D71 | G34-D71 PolarHBondContact N-O 3.05Å |
| 35 | V | 75.4 | Confident | 80.5 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 149.6 | -174.6 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | C32 Y33 T39 D71 | C32-V35 HydrophobicContact CB-CG2 3.7Å; Y33-V35 PolarHBondContact O-N 2.91Å; V35-T39 HydrophobicContact CB-CG2 4.07Å; V35-T39 HydrophobicContact CG1-CG2 4.3Å; V35-T39 HydrophobicContact CG2-CG2 4.33Å; V35-D71 PolarHBondContact O-N 2.92Å |
| 36 | P | 75.9 | Confident | 81.2 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 146.4 | 168.2 | -19.6 | 27.9 | 0 | 0 | 0 | 111.8 | E38 T39 L68 | P36-E38 PolarHBondContact O-N 2.02Å; P36-E38 VanDerWaalsContact O-N 3.08Å; P36-T39 WeakPolarHBondContact CD-OG1 3.42Å; P36-T39 WeakPolarHBondContact O-CB 3.31Å; P36-T39 PolarHBondContact O-N 3.14Å; P36-T39 PolarHBondContact O-OG1 3.36Å; P36-L68 HydrophobicContact CB-CD1 4.42Å; P36-L68 HydrophobicContact CG-CD1 4.16Å |
| 37 | I | 70.6 | Confident | 81.6 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -36.8 | 177.6 | -78.1 | 172.1 | 0 | 0 | 0 | 113.4 | T39 R69 D71 | I37-T39 PolarHBondContact O-N 3.38Å; I37-R69 HydrophobicContact CD1-CB 3.6Å; I37-R69 HydrophobicContact CD1-CG 4.33Å; I37-R69 HydrophobicContact CG1-CB 4.17Å; I37-D71 WeakPolarHBondContact CG1-OD2 2.99Å |
| 38 | E | 75.9 | Confident | 81.1 | Confident | 177 Ų | 177 | 77.5 Ų | 77.5 | 83% | 0.827 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0.2 | -177.5 | -53.3 | -55.8 | 148.8 | 0 | 0 | 113.6 | P36 | P36-E38 PolarHBondContact O-N 2.02Å; P36-E38 VanDerWaalsContact O-N 3.08Å |
| 39 | T | 81.5 | Confident | 80.7 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 37% | 0.368 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -81.1 | 128.9 | -178.8 | -48.7 | 0 | 0 | 0 | 0 | 110.1 | V35 P36 I37 C41 | V35-T39 HydrophobicContact CB-CG2 4.07Å; V35-T39 HydrophobicContact CG1-CG2 4.3Å; V35-T39 HydrophobicContact CG2-CG2 4.33Å; P36-T39 WeakPolarHBondContact CD-OG1 3.42Å; P36-T39 WeakPolarHBondContact O-CB 3.31Å; P36-T39 PolarHBondContact O-N 3.14Å; P36-T39 PolarHBondContact O-OG1 3.36Å; I37-T39 PolarHBondContact O-N 3.38Å; T39-C41 PolarHBondContact O-N 3.44Å; T39-C41 PolarHBondContact O-SG 3.47Å |
| 40 | S | 83.4 | Confident | 80.5 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 80% | 0.804 | 43% | 0.427 | S | S | * | . | trans | -65.5 | 131.2 | 171.1 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 41 | C | 83.2 | Confident | 80.3 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | trans | -110.4 | 142.8 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | Y30 C32 T39 | Y30-C41 VanDerWaalsContact CD1-O 3.3Å; Y30-C41 WeakPolarHBondContact CD1-O 3.38Å; C32-C41 HydrophobicContact CB-CB 3.69Å; C32-C41 WeakPolarHBondContact CB-SG 3.44Å; C32-C41 WeakPolarHBondContact SG-CB 3.28Å; C32-C41 CovalentContact SG-SG 2.02Å; C32-C41 PolarHBondContact SG-SG 2.76Å; T39-C41 PolarHBondContact O-N 3.44Å; T39-C41 PolarHBondContact O-SG 3.47Å | ||
| 42 | P | 85.6 | Confident | 80.4 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 57% | 0.571 | 42% | 0.424 | S | S | * | . | trans | -65.8 | 150.7 | 172.5 | 28.8 | -35.8 | 0 | 0 | 0 | 111.5 | Y30 E31 | Y30-P42 CarbonylContact C-O 3.6Å; Y30-P42 WeakPolarHBondContact CA-O 3.28Å; E31-P42 PolarHBondContact N-O 3.14Å; E31-P42 VanDerWaalsContact O-CD 3.28Å; E31-P42 WeakPolarHBondContact O-CD 3.34Å; E31-P42 WeakPolarHBondContact O-CG 3.33Å | ||
| 43 | A | 86.5 | Confident | 80.8 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 141.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C29 Y30 | C29-A43 CarbonylContact O-C 3.56Å; C29-A43 WeakPolarHBondContact O-CA 3.02Å; Y30-A43 HydrophobicContact CD1-CB 4.23Å; Y30-A43 HydrophobicContact CE1-CB 4.21Å |
| 44 | V | 86.6 | Confident | 81.1 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 21% | 0.212 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.8 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | Q28 C29 E31 P75 | Q28-V44 CarbonylContact C-O 3.55Å; Q28-V44 VanDerWaalsContact CA-O 3.31Å; Q28-V44 WeakPolarHBondContact CA-O 3.38Å; C29-V44 PolarHBondContact N-O 3.08Å; C29-V44 WeakPolarHBondContact O-CG2 3.34Å; C29-V44 PolarHBondContact O-N 2.86Å; E31-V44 HydrophobicContact CB-CG1 3.84Å; E31-V44 HydrophobicContact CB-CG2 3.86Å; E31-V44 WeakPolarHBondContact OE2-CG1 3.25Å; V44-P75 HydrophobicContact CG2-CB 3.95Å; V44-P75 HydrophobicContact CG2-CG 3.96Å |
| 45 | T | 87.8 | Confident | 81.3 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 61% | 0.613 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.3 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 46 | C | 84.3 | Confident | 81.2 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 6% | 0.061 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 168.5 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | G26 L27 C29 D50 C76 | G26-C46 WeakPolarHBondContact CA-O 3.14Å; L27-C46 HydrophobicContact CB-CB 4.24Å; L27-C46 VanDerWaalsContact O-CB 3.28Å; L27-C46 WeakPolarHBondContact O-CB 3.3Å; L27-C46 PolarHBondContact O-N 2.03Å; L27-C46 PolarHBondContact O-SG 3.22Å; C29-C46 PolarHBondContact SG-SG 3.24Å; C46-D50 HydrophobicContact CB-CB 3.76Å; C46-C76 WeakPolarHBondContact CA-SG 3.35Å; C46-C76 HydrophobicContact CB-CB 3.61Å; C46-C76 WeakPolarHBondContact CB-SG 2.91Å; C46-C76 WeakPolarHBondContact SG-CB 3.23Å; C46-C76 CovalentContact SG-SG 2.02Å; C46-C76 PolarHBondContact SG-SG 2.75Å |
| 47 | R | 83.5 | Confident | 81.1 | Confident | 198 Ų | 198 | 75.9 Ų | 75.9 | 75% | 0.747 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -70 | 158 | 173 | -62.9 | -178.9 | -176.4 | 153.6 | 2.7 | 109.2 | S49 D50 | R47-S49 PolarHBondContact O-N 2.02Å; R47-S49 VanDerWaalsContact O-N 3.14Å; R47-D50 WeakPolarHBondContact CB-OD2 3.25Å; R47-D50 PolarHBondContact N-OD2 3.14Å; R47-D50 WeakPolarHBondContact O-CB 3.06Å; R47-D50 PolarHBondContact O-N 3.01Å |
| 48 | A | 74.8 | Confident | 81.1 | Confident | 74 Ų | 74 | 76 Ų | 76 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A24 D50 | A24-A48 HydrophobicContact CB-CB 3.82Å; A48-D50 VanDerWaalsContact C-N 3.29Å |
| 49 | S | 79.2 | Confident | 80.8 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 51% | 0.51 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.8 | 174.6 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | R47 P78 V79 | R47-S49 PolarHBondContact O-N 2.02Å; R47-S49 VanDerWaalsContact O-N 3.14Å; S49-P78 WeakPolarHBondContact O-CA 3.07Å; S49-V79 PolarHBondContact O-N 3.12Å |
| 50 | D | 82.5 | Confident | 80 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.134 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126 | -178.4 | -58.1 | -48.4 | 0 | 0 | 0 | 110 | C46 R47 A48 C76 S77 | C46-D50 HydrophobicContact CB-CB 3.76Å; R47-D50 WeakPolarHBondContact CB-OD2 3.25Å; R47-D50 PolarHBondContact N-OD2 3.14Å; R47-D50 WeakPolarHBondContact O-CB 3.06Å; R47-D50 PolarHBondContact O-N 3.01Å; A48-D50 VanDerWaalsContact C-N 3.29Å; D50-C76 HydrophobicContact CB-CB 3.96Å; D50-C76 WeakPolarHBondContact OD2-CB 3.38Å; D50-S77 CarbonylContact C-O 3.59Å; D50-S77 VanDerWaalsContact CA-O 3.25Å; D50-S77 WeakPolarHBondContact CA-O 3Å |
| 51 | G | 79.9 | Confident | 79.2 | Confident | 39 Ų | 39 | 75.5 Ų | 75.5 | 40% | 0.402 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -11.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S77 V79 | G51-S77 PolarHBondContact N-O 3.23Å; G51-V79 VanDerWaalsContact CA-CG2 3.47Å |
| 52 | F | 83.8 | Confident | 77.9 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 155.8 | -178.9 | 56.6 | -84.4 | 0 | 0 | 0 | 112.8 | L27 I54 S77 P78 | L27-F52 VanDerWaalsContact CD2-CA 3.45Å; F52-I54 HydrophobicContact CD2-CD1 4.36Å; F52-I54 HydrophobicContact CD2-CG1 3.79Å; F52-I54 HydrophobicContact CE2-CD1 3.73Å; F52-I54 HydrophobicContact CE2-CG1 3.67Å; F52-S77 VanDerWaalsContact CE2-CB 3.43Å; F52-S77 WeakPolarHBondContact CE2-OG 3.36Å; F52-S77 WeakPolarHBondContact CZ-OG 3.41Å; F52-S77 PolarHBondContact O-N 3.19Å; F52-S77 VanDerWaalsContact O-N 3.12Å; F52-P78 VanDerWaalsContact CE1-O 3.22Å; F52-P78 WeakPolarHBondContact CE1-O 3.39Å |
| 53 | C | 85.6 | Confident | 76.6 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | trans | -93.3 | 135.4 | 174.4 | -47.6 | 0 | 0 | 0 | 0 | 110.8 | C29 P75 | C29-C53 VanDerWaalsContact CA-SG 3.5Å; C29-C53 HydrophobicContact CB-CB 3.81Å; C29-C53 WeakPolarHBondContact CB-SG 2.99Å; C29-C53 VanDerWaalsContact SG-CA 3.58Å; C29-C53 WeakPolarHBondContact SG-CB 3.45Å; C29-C53 CovalentContact SG-SG 2.03Å; C29-C53 PolarHBondContact SG-SG 3.41Å; C53-P75 VanDerWaalsContact CA-O 3.25Å; C53-P75 WeakPolarHBondContact CA-O 2.99Å | ||
| 54 | I | 83.4 | Confident | 75.5 | Confident | 51 Ų | 51 | 82 Ų | 82 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | trans | -110.1 | 135.3 | 175.8 | -56.7 | -179.7 | 0 | 0 | 0 | 110 | F52 Q56 K73 S77 | F52-I54 HydrophobicContact CD2-CD1 4.36Å; F52-I54 HydrophobicContact CD2-CG1 3.79Å; F52-I54 HydrophobicContact CE2-CD1 3.73Å; F52-I54 HydrophobicContact CE2-CG1 3.67Å; I54-Q56 HydrophobicContact CG2-CG 4.31Å; I54-K73 VanDerWaalsContact O-CD 3.28Å; I54-K73 WeakPolarHBondContact O-CD 3.45Å; I54-K73 WeakPolarHBondContact O-CE 3.22Å; I54-K73 VanDerWaalsContact O-CG 3.3Å; I54-K73 WeakPolarHBondContact O-CG 3.16Å; I54-S77 VanDerWaalsContact CD1-CB 3.41Å | ||
| 55 | A | 77.9 | Confident | 74 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | trans | -116.6 | 140.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | K73 | A55-K73 HydrophobicContact CB-CD 4.3Š| ||
| 56 | Q | 73.6 | Confident | 72.5 | Confident | 104 Ų | 104 | 88.1 Ų | 88.1 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.1 | 170.7 | -62 | 180 | 43.9 | 0 | 0 | 109.3 | I54 D71 Y72 | I54-Q56 HydrophobicContact CG2-CG 4.31Å; Q56-D71 CarbonylContact O-C 3.6Å; Q56-D71 WeakPolarHBondContact O-CA 3.39Å; Q56-Y72 WeakPolarHBondContact CB-O 3.3Å; Q56-Y72 PolarHBondContact N-O 2.89Å; Q56-Y72 PolarHBondContact O-N 2.88Å |
| 57 | N | 73.1 | Confident | 71.4 | Confident | 92 Ų | 92 | 94.1 Ų | 94.1 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.6 | 177.5 | -59.5 | 70.9 | 0 | 0 | 0 | 109 | I70 D71 | N57-I70 CarbonylContact C-O 3.56Å; N57-D71 PolarHBondContact ND2-OD1 3.07Å; N57-D71 PolarHBondContact ND2-OD2 3.17Å; N57-D71 PolarHBondContact OD1-OD1 3.01Å; N57-D71 VanDerWaalsContact OD1-OD1 3.07Å |
| 58 | I | 69.9 | Low | 70.2 | Confident | 76 Ų | 76 | 87.4 Ų | 87.4 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.9 | 171.4 | -54.3 | 177.1 | 0 | 0 | 0 | 107.3 | L60 I70 Y72 | I58-L60 HydrophobicContact CG2-CD1 4.08Å; I58-L60 PolarHBondContact O-N 3.48Å; I58-I70 PolarHBondContact N-O 2.87Å; I58-I70 PolarHBondContact O-N 3.44Å; I58-Y72 HydrophobicContact CD1-CG 4.46Å |
| 59 | E | 70.5 | Confident | 69.6 | Low | 116 Ų | 116 | 90.4 Ų | 90.4 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 109 | 170.9 | -54.5 | -162.3 | 142.3 | 0 | 0 | 108.4 | R69 | E59-R69 HydrophobicContact CG-CG 4.17Å; E59-R69 IonicContact OE1-CZ 3.19Å; E59-R69 IonicContact OE1-NE 2.75Å; E59-R69 PolarHBondContact OE1-NE 3.4Å; E59-R69 IonicContact OE1-NH2 2.8Å; E59-R69 PolarHBondContact OE1-NH2 2.77Å |
| 60 | L | 65.6 | Low | 68.8 | Low | 84 Ų | 84 | 88 Ų | 88 | 44% | 0.44 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.6 | 170.8 | -124.9 | 87.3 | 0 | 0 | 0 | 108.6 | I58 E62 L68 I70 | I58-L60 HydrophobicContact CG2-CD1 4.08Å; I58-L60 PolarHBondContact O-N 3.48Å; L60-E62 PolarHBondContact O-N 3.19Å; L60-L68 PolarHBondContact N-O 2.75Å; L60-L68 PolarHBondContact O-N 3.43Å; L60-L68 VanDerWaalsContact O-N 3.17Å; L60-I70 HydrophobicContact CB-CD1 4.07Å; L60-I70 HydrophobicContact CD1-CD1 4.38Å; L60-I70 HydrophobicContact CD2-CD1 4.3Å; L60-I70 HydrophobicContact CG-CD1 4.48Å |
| 61 | I | 64.9 | Low | 67.8 | Low | 140 Ų | 140 | 88.1 Ų | 88.1 | 72% | 0.718 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 89.1 | 169.9 | -54.5 | 173.2 | 0 | 0 | 0 | 106.9 | ||
| 62 | E | 57.8 | Low | 66.6 | Low | 124 Ų | 124 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.6 | 168.1 | -159.8 | 168.5 | -164.4 | 0 | 0 | 108.3 | L60 | L60-E62 PolarHBondContact O-N 3.19Å |
| 63 | G | 58 | Low | 65.4 | Low | 58 Ų | 58 | 89.5 Ų | 89.5 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 149.6 | -156.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | H65 | G63-H65 PolarHBondContact O-N 2.92Š|
| 64 | S | 61.8 | Low | 64.4 | Low | 121 Ų | 121 | 89.1 Ų | 89.1 | 85% | 0.846 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -24.6 | 168.3 | 69.3 | 0 | 0 | 0 | 0 | 121.4 | ||
| 65 | H | 55.3 | Low | 63.8 | Low | 194 Ų | 194 | 87.3 Ų | 87.3 | 90% | 0.898 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.2 | 8.1 | 172.1 | -99.9 | 143.1 | 0 | 0 | 0 | 119.7 | G63 | G63-H65 PolarHBondContact O-N 2.92Š|
| 66 | S | 58 | Low | 64.1 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 105.6 | 178.4 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | L68 | S66-L68 VanDerWaalsContact C-N 3.33Å; S66-L68 PolarHBondContact O-N 2.81Å |
| 67 | N | 59.4 | Low | 64.4 | Low | 135 Ų | 135 | 82 Ų | 82 | 72% | 0.722 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 94.6 | 162.3 | -67.3 | -41.1 | 0 | 0 | 0 | 107.3 | R69 | N67-R69 PolarHBondContact O-N 3.08Å |
| 68 | L | 59.9 | Low | 64.6 | Low | 57 Ų | 57 | 79.8 Ų | 79.8 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 107 | 176.8 | -176.2 | 64.2 | 0 | 0 | 0 | 108.1 | P36 L60 S66 I70 | P36-L68 HydrophobicContact CB-CD1 4.42Å; P36-L68 HydrophobicContact CG-CD1 4.16Å; L60-L68 PolarHBondContact N-O 2.75Å; L60-L68 PolarHBondContact O-N 3.43Å; L60-L68 VanDerWaalsContact O-N 3.17Å; S66-L68 VanDerWaalsContact C-N 3.33Å; S66-L68 PolarHBondContact O-N 2.81Å; L68-I70 HydrophobicContact CD2-CD1 3.85Å; L68-I70 HydrophobicContact CD2-CG1 3.96Å; L68-I70 HydrophobicContact CG-CD1 4.23Å; L68-I70 HydrophobicContact CG-CG1 3.8Å |
| 69 | R | 62.3 | Low | 64.8 | Low | 136 Ų | 136 | 80.4 Ų | 80.4 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.6 | 169.4 | -71.8 | -171.9 | 171.7 | 165.2 | -1.2 | 109 | I37 E59 N67 | I37-R69 HydrophobicContact CD1-CB 3.6Å; I37-R69 HydrophobicContact CD1-CG 4.33Å; I37-R69 HydrophobicContact CG1-CB 4.17Å; E59-R69 HydrophobicContact CG-CG 4.17Å; E59-R69 IonicContact OE1-CZ 3.19Å; E59-R69 IonicContact OE1-NE 2.75Å; E59-R69 PolarHBondContact OE1-NE 3.4Å; E59-R69 IonicContact OE1-NH2 2.8Å; E59-R69 PolarHBondContact OE1-NH2 2.77Å; N67-R69 PolarHBondContact O-N 3.08Å |
| 70 | I | 61.3 | Low | 64.5 | Low | 24 Ų | 24 | 85.1 Ų | 85.1 | 12% | 0.123 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.1 | 179.3 | -63.9 | -177.1 | 0 | 0 | 0 | 108.3 | N57 I58 L60 L68 | N57-I70 CarbonylContact C-O 3.56Å; I58-I70 PolarHBondContact N-O 2.87Å; I58-I70 PolarHBondContact O-N 3.44Å; L60-I70 HydrophobicContact CB-CD1 4.07Å; L60-I70 HydrophobicContact CD1-CD1 4.38Å; L60-I70 HydrophobicContact CD2-CD1 4.3Å; L60-I70 HydrophobicContact CG-CD1 4.48Å; L68-I70 HydrophobicContact CD2-CD1 3.85Å; L68-I70 HydrophobicContact CD2-CG1 3.96Å; L68-I70 HydrophobicContact CG-CD1 4.23Å; L68-I70 HydrophobicContact CG-CG1 3.8Å |
| 71 | D | 62.2 | Low | 63.9 | Low | 26 Ų | 26 | 92.1 Ų | 92.1 | 14% | 0.139 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.2 | 166.8 | -81.7 | -56.5 | 0 | 0 | 0 | 110.9 | G34 V35 I37 Q56 N57 | G34-D71 PolarHBondContact N-O 3.05Å; V35-D71 PolarHBondContact O-N 2.92Å; I37-D71 WeakPolarHBondContact CG1-OD2 2.99Å; Q56-D71 CarbonylContact O-C 3.6Å; Q56-D71 WeakPolarHBondContact O-CA 3.39Å; N57-D71 PolarHBondContact ND2-OD1 3.07Å; N57-D71 PolarHBondContact ND2-OD2 3.17Å; N57-D71 PolarHBondContact OD1-OD1 3.01Å; N57-D71 VanDerWaalsContact OD1-OD1 3.07Å |
| 72 | Y | 54.4 | Low | 63.8 | Low | 131 Ų | 131 | 89.7 Ų | 89.7 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.8 | 168.3 | -163.6 | -88.9 | 0 | 0 | 0 | 108.1 | Y33 Q56 I58 | Y33-Y72 HydrophobicContact CD1-CD2 4.23Å; Y33-Y72 HydrophobicContact CD1-CE2 4.07Å; Q56-Y72 WeakPolarHBondContact CB-O 3.3Å; Q56-Y72 PolarHBondContact N-O 2.89Å; Q56-Y72 PolarHBondContact O-N 2.88Å; I58-Y72 HydrophobicContact CD1-CG 4.46Å |
| 73 | K | 59.4 | Low | 64.1 | Low | 27 Ų | 27 | 87.9 Ų | 87.9 | 12% | 0.117 | 47% | 0.469 | C | S | . | . | trans | -109.1 | 117.4 | -171.3 | -164.5 | 125.1 | -179.7 | -156.1 | 0 | 112.1 | Y30 C32 Y33 I54 A55 P75 | Y30-K73 WeakPolarHBondContact O-CD 3.43Å; Y30-K73 WeakPolarHBondContact O-CE 3.4Å; Y30-K73 PolarHBondContact O-NZ 2.97Å; C32-K73 WeakPolarHBondContact O-CB 3Å; Y33-K73 WeakPolarHBondContact CE1-O 3.47Å; Y33-K73 VanDerWaalsContact CZ-O 3.29Å; Y33-K73 PolarHBondContact OH-O 3.47Å; I54-K73 VanDerWaalsContact O-CD 3.28Å; I54-K73 WeakPolarHBondContact O-CD 3.45Å; I54-K73 WeakPolarHBondContact O-CE 3.22Å; I54-K73 VanDerWaalsContact O-CG 3.3Å; I54-K73 WeakPolarHBondContact O-CG 3.16Å; A55-K73 HydrophobicContact CB-CD 4.3Å; K73-P75 HydrophobicContact CG-CB 4.01Å; K73-P75 WeakPolarHBondContact O-CD 3.28Å | ||
| 74 | S | 63.9 | Low | 64.5 | Low | 50 Ų | 50 | 89.6 Ų | 89.6 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | trans | -87.1 | 99.5 | 146.8 | 60.9 | 0 | 0 | 0 | 0 | 106.3 | C76 | S74-C76 PolarHBondContact O-N 3.43Å; S74-C76 VanDerWaalsContact O-N 3.14Å | ||
| 75 | P | 70.9 | Confident | 64.6 | Low | 12 Ų | 12 | 87.7 Ų | 87.7 | 8% | 0.078 | 44% | 0.439 | C | S | . | . | trans | -67.3 | -20.4 | -164.3 | 26.1 | -35.8 | 0 | 0 | 0 | 113.7 | C29 E31 V44 C53 K73 | C29-P75 HydrophobicContact CB-CB 3.94Å; C29-P75 VanDerWaalsContact CB-O 3.23Å; C29-P75 WeakPolarHBondContact CB-O 3.17Å; C29-P75 PolarHBondContact SG-O 3.39Å; E31-P75 HydrophobicContact CB-CB 4.06Å; E31-P75 HydrophobicContact CB-CG 4.05Å; E31-P75 HydrophobicContact CG-CB 4.36Å; E31-P75 HydrophobicContact CG-CG 3.89Å; E31-P75 WeakPolarHBondContact OE1-CG 3.4Å; V44-P75 HydrophobicContact CG2-CB 3.95Å; V44-P75 HydrophobicContact CG2-CG 3.96Å; C53-P75 VanDerWaalsContact CA-O 3.25Å; C53-P75 WeakPolarHBondContact CA-O 2.99Å; K73-P75 HydrophobicContact CG-CB 4.01Å; K73-P75 WeakPolarHBondContact O-CD 3.28Å | ||
| 76 | C | 83.5 | Confident | 65.2 | Low | 34 Ų | 34 | 81.1 Ų | 81.1 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | trans | -130.5 | 133.6 | -169.5 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | C46 D50 S74 | C46-C76 WeakPolarHBondContact CA-SG 3.35Å; C46-C76 HydrophobicContact CB-CB 3.61Å; C46-C76 WeakPolarHBondContact CB-SG 2.91Å; C46-C76 WeakPolarHBondContact SG-CB 3.23Å; C46-C76 CovalentContact SG-SG 2.02Å; C46-C76 PolarHBondContact SG-SG 2.75Å; D50-C76 HydrophobicContact CB-CB 3.96Å; D50-C76 WeakPolarHBondContact OD2-CB 3.38Å; S74-C76 PolarHBondContact O-N 3.43Å; S74-C76 VanDerWaalsContact O-N 3.14Å | ||
| 77 | S | 81.2 | Confident | 65.7 | Low | 16 Ų | 16 | 81.9 Ų | 81.9 | 11% | 0.112 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.9 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | D50 G51 F52 I54 | D50-S77 CarbonylContact C-O 3.59Å; D50-S77 VanDerWaalsContact CA-O 3.25Å; D50-S77 WeakPolarHBondContact CA-O 3Å; G51-S77 PolarHBondContact N-O 3.23Å; F52-S77 VanDerWaalsContact CE2-CB 3.43Å; F52-S77 WeakPolarHBondContact CE2-OG 3.36Å; F52-S77 WeakPolarHBondContact CZ-OG 3.41Å; F52-S77 PolarHBondContact O-N 3.19Å; F52-S77 VanDerWaalsContact O-N 3.12Å; I54-S77 VanDerWaalsContact CD1-CB 3.41Å |
| 78 | P | 76.8 | Confident | 66.2 | Low | 46 Ų | 46 | 78.1 Ų | 78.1 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 148.9 | 176.3 | 26.2 | -32.5 | 0 | 0 | 0 | 111.9 | S49 F52 W80 | S49-P78 WeakPolarHBondContact O-CA 3.07Å; F52-P78 VanDerWaalsContact CE1-O 3.22Å; F52-P78 WeakPolarHBondContact CE1-O 3.39Å; P78-W80 HydrophobicContact CG-CZ2 3.88Å; P78-W80 VanDerWaalsContact O-CD1 3.23Å; P78-W80 PolarHBondContact O-NE1 2.8Å |
| 79 | V | 73.2 | Confident | 66.6 | Low | 88 Ų | 88 | 79.7 Ų | 79.7 | 53% | 0.533 | 39% | 0.389 | S | S | . | . | trans | -74.3 | 125.4 | 163.1 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | S49 G51 | S49-V79 PolarHBondContact O-N 3.12Å; G51-V79 VanDerWaalsContact CA-CG2 3.47Å | ||
| 80 | W | 65.1 | Low | 67 | Low | 215 Ų | 215 | 75 Ų | 75 | 81% | 0.814 | 38% | 0.379 | S | S | * | . | trans | -102.2 | 114.7 | 169.5 | -48.6 | 76.5 | 0 | 0 | 0 | 105.8 | P78 | P78-W80 HydrophobicContact CG-CZ2 3.88Å; P78-W80 VanDerWaalsContact O-CD1 3.23Å; P78-W80 PolarHBondContact O-NE1 2.8Å | ||
| 81 | D | 52 | Low | 67.5 | Low | 231 Ų | 231 | 79.6 Ų | 79.6 | 100% | 1.235 | 40% | 0.402 | S | S | * | . | trans | -81.5 | 0 | 168.7 | -112.1 | -64.1 | 0 | 0 | 0 | 110.3 |
Retrieved 81 of 81 residues in 118.3 ms
(Link to these results)