| 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 | 48.8 | Very low | 62.1 | Low | 227 Ų | 227 | 114 Ų | 114 | 100% | 1.118 | 64% | 0.635 | S | S | * | * | 0 | 85.9 | 0 | 175.8 | 162.7 | 71.1 | 0 | 0 | 106.6 | |||||
| 2 | D | 50.3 | Low | 63.7 | Low | 131 Ų | 131 | 113.4 Ų | 113.4 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | trans | -153.9 | 15.5 | 174.5 | -82.7 | -60.8 | 0 | 0 | 0 | 112.9 | S4 T6 | D2-S4 PolarHBondContact O-N 2.72Å; D2-T6 PolarHBondContact O-OG1 3.36Å | ||
| 3 | T | 54.4 | Low | 65.2 | Low | 121 Ų | 121 | 113.1 Ų | 113.1 | 74% | 0.742 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.7 | -16.1 | 175.9 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | T6 T7 | T3-T6 PolarHBondContact O-OG1 3.41Å; T3-T7 PolarHBondContact O-N 3.49Å; T3-T7 PolarHBondContact O-OG1 3.11Å |
| 4 | S | 55.7 | Low | 66.5 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.6 | -31.5 | -179.5 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | D2 T7 K8 | D2-S4 PolarHBondContact O-N 2.72Å; S4-T7 PolarHBondContact O-OG1 3.37Å; S4-K8 PolarHBondContact O-N 3.07Å |
| 5 | H | 56.5 | Low | 67.6 | Low | 152 Ų | 152 | 111.5 Ų | 111.5 | 70% | 0.704 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.4 | -37.6 | -177.8 | -132.7 | -95.3 | 0 | 0 | 0 | 111.9 | S9 | H5-S9 PolarHBondContact O-N 3.43Å; H5-S9 VanDerWaalsContact O-N 3.16Å |
| 6 | T | 59.4 | Low | 68.5 | Low | 91 Ų | 91 | 110.1 Ų | 110.1 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.8 | -40.7 | 177.8 | 7.4 | 0 | 0 | 0 | 0 | 111.6 | D2 T3 S9 C10 | D2-T6 PolarHBondContact O-OG1 3.36Å; T3-T6 PolarHBondContact O-OG1 3.41Å; T6-S9 PolarHBondContact O-N 3.39Å; T6-C10 PolarHBondContact O-N 3.41Å; T6-C10 VanDerWaalsContact O-N 3.11Å; T6-C10 PolarHBondContact O-SG 2.98Å; T6-C10 VanDerWaalsContact O-SG 3.36Å |
| 7 | T | 61.2 | Low | 69.2 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 53% | 0.534 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.4 | -42 | 176.8 | 15.9 | 0 | 0 | 0 | 0 | 112.3 | T3 S4 S9 C10 V11 | T3-T7 PolarHBondContact O-N 3.49Å; T3-T7 PolarHBondContact O-OG1 3.11Å; S4-T7 PolarHBondContact O-OG1 3.37Å; T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 3.36Å; T7-C10 PolarHBondContact O-N 3.16Å; T7-V11 VanDerWaalsContact O-CG2 3.31Å; T7-V11 WeakPolarHBondContact O-CG2 3.34Å; T7-V11 PolarHBondContact O-N 2.98Å; T7-V11 VanDerWaalsContact O-N 3.07Å |
| 8 | K | 64.2 | Low | 69.6 | Low | 147 Ų | 147 | 107.3 Ų | 107.3 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.9 | -40.7 | 175.1 | -82.8 | -172.9 | 75.3 | 155.6 | 0 | 112.4 | S4 L12 | S4-K8 PolarHBondContact O-N 3.07Å; K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.5Å; K8-L12 PolarHBondContact O-N 3.42Å; K8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | S | 72.7 | Confident | 69.8 | Low | 61 Ų | 61 | 107.2 Ų | 107.2 | 43% | 0.427 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -44.2 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 112 | H5 T6 T7 V11 L12 I13 | H5-S9 PolarHBondContact O-N 3.43Å; H5-S9 VanDerWaalsContact O-N 3.16Å; T6-S9 PolarHBondContact O-N 3.39Å; T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 3.36Å; S9-V11 PolarHBondContact O-N 3.43Å; S9-L12 PolarHBondContact O-N 3.22Å; S9-I13 WeakPolarHBondContact O-CD1 3.38Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.3Å; S9-I13 PolarHBondContact O-N 3.37Å |
| 10 | C | 77.1 | Confident | 69.7 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 49% | 0.493 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -39.9 | 177.7 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | T6 T7 L12 I13 L14 | T6-C10 PolarHBondContact O-N 3.41Å; T6-C10 VanDerWaalsContact O-N 3.11Å; T6-C10 PolarHBondContact O-SG 2.98Å; T6-C10 VanDerWaalsContact O-SG 3.36Å; T7-C10 PolarHBondContact O-N 3.16Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 3.38Å; C10-I13 PolarHBondContact O-N 3.31Å; C10-L14 PolarHBondContact O-N 3.5Å |
| 11 | V | 83.1 | Confident | 69.3 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.3 | -41.4 | 176.9 | 172 | 0 | 0 | 0 | 0 | 111.1 | T7 S9 L14 L15 | T7-V11 VanDerWaalsContact O-CG2 3.31Å; T7-V11 WeakPolarHBondContact O-CG2 3.34Å; T7-V11 PolarHBondContact O-N 2.98Å; T7-V11 VanDerWaalsContact O-N 3.07Å; S9-V11 PolarHBondContact O-N 3.43Å; V11-L14 PolarHBondContact O-N 3.3Å; V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 WeakPolarHBondContact O-CB 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.46Å |
| 12 | L | 81.4 | Confident | 69.8 | Low | 107 Ų | 107 | 98.5 Ų | 98.5 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -41.7 | 176.2 | -70.4 | 169.1 | 0 | 0 | 0 | 111.9 | K8 S9 C10 L15 V16 | K8-L12 VanDerWaalsContact O-CG 3.29Å; K8-L12 WeakPolarHBondContact O-CG 3.5Å; K8-L12 PolarHBondContact O-N 3.42Å; K8-L12 VanDerWaalsContact O-N 3.15Å; S9-L12 PolarHBondContact O-N 3.22Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 3.15Å; L12-V16 WeakPolarHBondContact O-CG2 3.48Å; L12-V16 PolarHBondContact O-N 3.02Å |
| 13 | I | 83.2 | Confident | 70.2 | Confident | 109 Ų | 109 | 103.1 Ų | 103.1 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -43.3 | 177.8 | -65.8 | 162.5 | 0 | 0 | 0 | 111.1 | S9 C10 V16 A17 | S9-I13 WeakPolarHBondContact O-CD1 3.38Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.3Å; S9-I13 PolarHBondContact O-N 3.37Å; C10-I13 PolarHBondContact O-N 3.31Å; I13-V16 PolarHBondContact O-N 3.06Å; I13-A17 PolarHBondContact O-N 3.03Å |
| 14 | L | 83.5 | Confident | 70.4 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -43.4 | 175.8 | -83.5 | 161.6 | 0 | 0 | 0 | 112.1 | C10 V11 A17 L18 | C10-L14 PolarHBondContact O-N 3.5Å; V11-L14 PolarHBondContact O-N 3.3Å; L14-A17 PolarHBondContact O-N 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.44Å; L14-L18 PolarHBondContact O-N 3Å |
| 15 | L | 82.6 | Confident | 70.8 | Confident | 88 Ų | 88 | 104.5 Ų | 104.5 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.3 | -48 | 176.2 | -79.7 | 161.8 | 0 | 0 | 0 | 111.3 | V11 L12 A17 L18 L19 | V11-L15 HydrophobicContact CG1-CD1 3.92Å; V11-L15 WeakPolarHBondContact O-CB 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.29Å; V11-L15 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.15Å; L15-A17 VanDerWaalsContact C-N 3.31Å; L15-A17 PolarHBondContact O-N 3.42Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 PolarHBondContact O-N 3.4Å |
| 16 | V | 81.7 | Confident | 71.7 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -42.3 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L12 I13 L18 L19 C20 | L12-V16 WeakPolarHBondContact O-CG2 3.48Å; L12-V16 PolarHBondContact O-N 3.02Å; I13-V16 PolarHBondContact O-N 3.06Å; V16-L18 PolarHBondContact O-N 3.23Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-C20 WeakPolarHBondContact O-CB 3.48Å; V16-C20 PolarHBondContact O-N 3.32Å; V16-C20 PolarHBondContact O-SG 3.02Å |
| 17 | A | 80.1 | Confident | 72.7 | Confident | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I13 L14 L15 C20 A21 | I13-A17 PolarHBondContact O-N 3.03Å; L14-A17 PolarHBondContact O-N 3.31Å; L15-A17 VanDerWaalsContact C-N 3.31Å; L15-A17 PolarHBondContact O-N 3.42Å; A17-C20 PolarHBondContact O-N 2.99Å; A17-A21 PolarHBondContact O-N 3.26Å |
| 18 | L | 77.6 | Confident | 73.9 | Confident | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -45.6 | 176.6 | -71.6 | 166.1 | 0 | 0 | 0 | 111.9 | L14 L15 V16 C20 A21 E22 | L14-L18 WeakPolarHBondContact O-CG 3.44Å; L14-L18 PolarHBondContact O-N 3Å; L15-L18 PolarHBondContact O-N 3.47Å; V16-L18 PolarHBondContact O-N 3.23Å; L18-C20 PolarHBondContact O-N 3.02Å; L18-A21 WeakPolarHBondContact O-CB 3.33Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-E22 PolarHBondContact O-N 3.01Å |
| 19 | L | 72.1 | Confident | 75 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -35.6 | 174.8 | -81.5 | 149.4 | 0 | 0 | 0 | 112.1 | L15 V16 R23 | L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 PolarHBondContact O-N 3.4Å; V16-L19 PolarHBondContact O-N 3.43Å; L19-R23 PolarHBondContact O-N 3.35Å |
| 20 | C | 67.6 | Low | 75.7 | Confident | 80 Ų | 80 | 96.2 Ų | 96.2 | 54% | 0.541 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.7 | -33.9 | 173.8 | -71.5 | 0 | 0 | 0 | 0 | 112.8 | V16 A17 L18 R23 A24 | V16-C20 WeakPolarHBondContact O-CB 3.48Å; V16-C20 PolarHBondContact O-N 3.32Å; V16-C20 PolarHBondContact O-SG 3.02Å; A17-C20 PolarHBondContact O-N 2.99Å; L18-C20 PolarHBondContact O-N 3.02Å; C20-R23 PolarHBondContact O-N 2.93Å; C20-A24 PolarHBondContact O-N 3.38Å |
| 21 | A | 63.3 | Low | 76.1 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A17 L18 R23 A24 Q25 | A17-A21 PolarHBondContact O-N 3.26Å; L18-A21 WeakPolarHBondContact O-CB 3.33Å; L18-A21 PolarHBondContact O-N 3.44Å; A21-R23 VanDerWaalsContact C-N 3.27Å; A21-R23 PolarHBondContact O-N 2.96Å; A21-A24 WeakPolarHBondContact O-CB 3.4Å; A21-A24 PolarHBondContact O-N 3.5Å; A21-Q25 PolarHBondContact O-N 3.03Å |
| 22 | E | 58.5 | Low | 76.3 | Confident | 121 Ų | 121 | 92.5 Ų | 92.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -35.1 | 172.6 | -71 | 176.5 | 101 | 0 | 0 | 111.7 | L18 A24 Q25 | L18-E22 PolarHBondContact O-N 3.01Å; E22-A24 VanDerWaalsContact C-N 3.25Å; E22-A24 PolarHBondContact O-N 3.28Å; E22-Q25 PolarHBondContact O-N 3.4Å |
| 23 | R | 58.3 | Low | 76.5 | Confident | 229 Ų | 229 | 92.9 Ų | 92.9 | 86% | 0.864 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.3 | 172.2 | -66.6 | -157.8 | -175.5 | -100.1 | 2.5 | 114.3 | L19 C20 A21 | L19-R23 PolarHBondContact O-N 3.35Å; C20-R23 PolarHBondContact O-N 2.93Å; A21-R23 VanDerWaalsContact C-N 3.27Å; A21-R23 PolarHBondContact O-N 2.96Å |
| 24 | A | 58.9 | Low | 76.4 | Confident | 80 Ų | 80 | 89.6 Ų | 89.6 | 66% | 0.661 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | C20 A21 E22 G26 | C20-A24 PolarHBondContact O-N 3.38Å; A21-A24 WeakPolarHBondContact O-CB 3.4Å; A21-A24 PolarHBondContact O-N 3.5Å; E22-A24 VanDerWaalsContact C-N 3.25Å; E22-A24 PolarHBondContact O-N 3.28Å; A24-G26 VanDerWaalsContact C-N 3.29Å; A24-G26 PolarHBondContact O-N 3.34Å |
| 25 | Q | 65 | Low | 76.6 | Confident | 151 Ų | 151 | 85.9 Ų | 85.9 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -72.5 | 91 | 169.6 | -60.4 | 178.1 | 16 | 0 | 0 | 107.1 | A21 E22 | A21-Q25 PolarHBondContact O-N 3.03Å; E22-Q25 PolarHBondContact O-N 3.4Å |
| 26 | G | 74.7 | Confident | 76.7 | Confident | 33 Ų | 33 | 84.9 Ų | 84.9 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 148.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A24 Q28 | A24-G26 VanDerWaalsContact C-N 3.29Å; A24-G26 PolarHBondContact O-N 3.34Å; G26-Q28 PolarHBondContact O-N 3.46Å |
| 27 | L | 81.1 | Confident | 76.6 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 130.9 | -178.7 | -178.4 | 69.3 | 0 | 0 | 0 | 110.4 | C46 G51 | L27-C46 HydrophobicContact CB-CB 4.28Å; L27-C46 WeakPolarHBondContact O-CB 3.29Å; L27-C46 PolarHBondContact O-N 2.03Å; L27-G51 WeakPolarHBondContact CD2-O 3.42Å |
| 28 | Q | 86.3 | Confident | 76.6 | Confident | 129 Ų | 129 | 89.4 Ų | 89.4 | 60% | 0.603 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.2 | 172.5 | -73 | -180 | 53.4 | 0 | 0 | 110.6 | G26 V44 | G26-Q28 PolarHBondContact O-N 3.46Å; Q28-V44 CarbonylContact C-O 3.6Å; Q28-V44 VanDerWaalsContact CA-O 3.31Å; Q28-V44 WeakPolarHBondContact CA-O 3.38Å |
| 29 | C | 86.1 | Confident | 77 | Confident | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.014 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151 | 179.9 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | A43 V44 C46 C53 P75 | C29-A43 CarbonylContact O-C 3.57Å; C29-A43 WeakPolarHBondContact O-CA 3.06Å; C29-V44 PolarHBondContact N-O 2.04Å; C29-V44 PolarHBondContact O-N 2.78Å; C29-C46 VanDerWaalsContact SG-SG 3.63Å; C29-C53 VanDerWaalsContact CA-SG 3.5Å; C29-C53 HydrophobicContact CB-CB 3.79Å; C29-C53 WeakPolarHBondContact CB-SG 3.38Å; C29-C53 WeakPolarHBondContact SG-CA 3.07Å; C29-C53 WeakPolarHBondContact SG-CB 3.07Å; C29-C53 CovalentContact SG-SG 2.03Å; C29-C53 PolarHBondContact SG-SG 3.29Å; C29-P75 WeakPolarHBondContact CB-O 3.04Å; C29-P75 PolarHBondContact SG-O 2.95Å |
| 30 | Y | 87.8 | Confident | 77.7 | Confident | 127 Ų | 127 | 87.6 Ų | 87.6 | 50% | 0.498 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 141.3 | 174 | -65.7 | -74 | 0 | 0 | 0 | 110.6 | C41 P42 A43 K73 | Y30-C41 HydrophobicContact CD1-CB 4.36Å; Y30-C41 VanDerWaalsContact CD1-O 3.27Å; Y30-C41 WeakPolarHBondContact CD1-O 2.98Å; Y30-P42 CarbonylContact C-O 3.56Å; Y30-P42 WeakPolarHBondContact CA-O 3.31Å; Y30-A43 HydrophobicContact CD1-CB 4.31Å; Y30-A43 HydrophobicContact CE1-CB 4.35Å; Y30-K73 VanDerWaalsContact O-CG 3.29Å; Y30-K73 WeakPolarHBondContact O-CG 3.35Å |
| 31 | E | 85.8 | Confident | 78.7 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | trans | -125 | 115 | 178.5 | -175.9 | 174.3 | -140.1 | 0 | 0 | 110.4 | Y33 P42 V44 P75 | E31-Y33 HydrophobicContact CG-CE2 4.19Å; E31-Y33 PolarHBondContact OE1-OH 3.48Å; E31-P42 PolarHBondContact N-O 2.03Å; E31-P42 VanDerWaalsContact O-CD 3.31Å; E31-P42 WeakPolarHBondContact O-CD 2.94Å; E31-P42 WeakPolarHBondContact O-CG 2.88Å; E31-V44 HydrophobicContact CB-CG1 4.11Å; E31-V44 HydrophobicContact CB-CG2 3.93Å; E31-V44 WeakPolarHBondContact OE2-CG1 3.21Å; E31-P75 HydrophobicContact CB-CB 4.2Å; E31-P75 HydrophobicContact CG-CB 4.14Å; E31-P75 HydrophobicContact CG-CG 4.31Å; E31-P75 WeakPolarHBondContact OE1-CG 3.37Å | ||
| 32 | C | 86.5 | Confident | 79.8 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 9% | 0.088 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 151.1 | 174.7 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | V35 C41 K73 | C32-V35 HydrophobicContact CB-CG1 4.36Å; C32-V35 HydrophobicContact CB-CG2 3.77Å; C32-C41 HydrophobicContact CB-CB 3.63Å; C32-C41 WeakPolarHBondContact CB-SG 3.38Å; C32-C41 WeakPolarHBondContact SG-CB 3.34Å; C32-C41 CovalentContact SG-SG 2.04Å; C32-C41 PolarHBondContact SG-SG 3.48Å; C32-K73 PolarHBondContact N-O 3.5Å; C32-K73 PolarHBondContact O-N 2.76Å |
| 33 | Y | 85 | Confident | 81.2 | Confident | 116 Ų | 116 | 83.1 Ų | 83.1 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 117 | -170.8 | -58.6 | -58.6 | 0 | 0 | 0 | 111.1 | E31 V35 Y72 P75 | E31-Y33 HydrophobicContact CG-CE2 4.19Å; E31-Y33 PolarHBondContact OE1-OH 3.48Å; Y33-V35 PolarHBondContact O-N 2.88Å; Y33-Y72 AromaticContact CD1-CD2 3.52Å; Y33-Y72 HydrophobicContact CD1-CD2 3.52Å; Y33-Y72 HydrophobicContact CD1-CE1 4.19Å; Y33-Y72 AromaticContact CD1-CE2 3.07Å; Y33-Y72 HydrophobicContact CD1-CE2 3.07Å; Y33-Y72 HydrophobicContact CD1-CG 4.23Å; Y33-Y72 AromaticContact CD1-CZ 3.43Å; Y33-Y72 VanDerWaalsContact CD1-CZ 3.43Å; Y33-Y72 HydrophobicContact CE1-CD2 4.32Å; Y33-Y72 HydrophobicContact CE1-CE1 4.05Å; Y33-Y72 AromaticContact CE1-CE2 3.58Å; Y33-Y72 HydrophobicContact CE1-CE2 3.58Å; Y33-Y72 AromaticContact CE1-CZ 3.38Å; Y33-Y72 WeakPolarHBondContact CE1-OH 3.17Å; Y33-Y72 HydrophobicContact CG-CD2 4.39Å; Y33-Y72 HydrophobicContact CG-CE2 4.05Å; Y33-P75 WeakPolarHBondContact OH-CD 3.33Å |
| 34 | G | 83.1 | Confident | 82.5 | Confident | 40 Ų | 40 | 74 Ų | 74 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 64 | 30.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D71 | G34-D71 PolarHBondContact N-O 3.48Å; G34-D71 VanDerWaalsContact N-O 3.16Å |
| 35 | V | 85.8 | Confident | 83.8 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 148.8 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 110 | C32 Y33 T39 I70 D71 | C32-V35 HydrophobicContact CB-CG1 4.36Å; C32-V35 HydrophobicContact CB-CG2 3.77Å; Y33-V35 PolarHBondContact O-N 2.88Å; V35-T39 HydrophobicContact CB-CG2 4.08Å; V35-T39 HydrophobicContact CG1-CG2 4.41Å; V35-T39 HydrophobicContact CG2-CG2 4.38Å; V35-I70 CarbonylContact O-C 3.55Å; V35-I70 VanDerWaalsContact O-CA 3.26Å; V35-I70 WeakPolarHBondContact O-CA 3.27Å; V35-D71 PolarHBondContact N-O 2.91Å; V35-D71 PolarHBondContact O-N 2.77Å |
| 36 | P | 85.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 146.8 | 170.5 | -23.6 | 32 | 0 | 0 | 0 | 111.6 | E38 T39 | P36-E38 PolarHBondContact O-N 2.79Å; P36-T39 WeakPolarHBondContact CD-OG1 3.47Å; P36-T39 WeakPolarHBondContact O-CB 3.31Å; P36-T39 PolarHBondContact O-N 3.4Å; P36-T39 PolarHBondContact O-OG1 3.18Å |
| 37 | I | 79.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 35% | 0.349 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -35.2 | -178.4 | -102.4 | 173.6 | 0 | 0 | 0 | 114.2 | T39 R69 D71 | I37-T39 PolarHBondContact O-N 3.18Å; I37-R69 HydrophobicContact CD1-CB 4.39Å; I37-R69 HydrophobicContact CD1-CG 3.74Å; I37-R69 PolarHBondContact N-O 3.22Å; I37-D71 HydrophobicContact CG1-CB 4.32Å; I37-D71 WeakPolarHBondContact CG1-OD2 3.32Å |
| 38 | E | 81.1 | Confident | 83.9 | Confident | 176 Ų | 176 | 76.4 Ų | 76.4 | 82% | 0.822 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.4 | -177.3 | -55.4 | -58.3 | 147.7 | 0 | 0 | 113 | P36 | P36-E38 PolarHBondContact O-N 2.79Š|
| 39 | T | 85.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 76.7 Ų | 76.7 | 39% | 0.387 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -83.4 | 126.1 | -178.3 | -47.7 | 0 | 0 | 0 | 0 | 110.2 | V35 P36 I37 C41 | V35-T39 HydrophobicContact CB-CG2 4.08Å; V35-T39 HydrophobicContact CG1-CG2 4.41Å; V35-T39 HydrophobicContact CG2-CG2 4.38Å; P36-T39 WeakPolarHBondContact CD-OG1 3.47Å; P36-T39 WeakPolarHBondContact O-CB 3.31Å; P36-T39 PolarHBondContact O-N 3.4Å; P36-T39 PolarHBondContact O-OG1 3.18Å; I37-T39 PolarHBondContact O-N 3.18Å; T39-C41 PolarHBondContact O-N 3.34Å |
| 40 | S | 87.1 | Confident | 82.1 | Confident | 116 Ų | 116 | 82.2 Ų | 82.2 | 81% | 0.811 | 46% | 0.458 | S | S | * | . | trans | -66.9 | 131.6 | 170.9 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 41 | C | 87.3 | Confident | 81.5 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | trans | -106.9 | 142.5 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | Y30 C32 T39 | Y30-C41 HydrophobicContact CD1-CB 4.36Å; Y30-C41 VanDerWaalsContact CD1-O 3.27Å; Y30-C41 WeakPolarHBondContact CD1-O 2.98Å; C32-C41 HydrophobicContact CB-CB 3.63Å; C32-C41 WeakPolarHBondContact CB-SG 3.38Å; C32-C41 WeakPolarHBondContact SG-CB 3.34Å; C32-C41 CovalentContact SG-SG 2.04Å; C32-C41 PolarHBondContact SG-SG 3.48Å; T39-C41 PolarHBondContact O-N 3.34Å | ||
| 42 | P | 87.6 | Confident | 81.2 | Confident | 87 Ų | 87 | 78.8 Ų | 78.8 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | trans | -65.5 | 151 | 171.6 | 29.1 | -35.5 | 0 | 0 | 0 | 111 | Y30 E31 | Y30-P42 CarbonylContact C-O 3.56Å; Y30-P42 WeakPolarHBondContact CA-O 3.31Å; E31-P42 PolarHBondContact N-O 2.03Å; E31-P42 VanDerWaalsContact O-CD 3.31Å; E31-P42 WeakPolarHBondContact O-CD 2.94Å; E31-P42 WeakPolarHBondContact O-CG 2.88Å | ||
| 43 | A | 87.3 | Confident | 81.2 | Confident | 53 Ų | 53 | 80.7 Ų | 80.7 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | C29 Y30 | C29-A43 CarbonylContact O-C 3.57Å; C29-A43 WeakPolarHBondContact O-CA 3.06Å; Y30-A43 HydrophobicContact CD1-CB 4.31Å; Y30-A43 HydrophobicContact CE1-CB 4.35Å |
| 44 | V | 85.9 | Confident | 81.2 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.9 | 177 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | Q28 C29 E31 P75 | Q28-V44 CarbonylContact C-O 3.6Å; Q28-V44 VanDerWaalsContact CA-O 3.31Å; Q28-V44 WeakPolarHBondContact CA-O 3.38Å; C29-V44 PolarHBondContact N-O 2.04Å; C29-V44 PolarHBondContact O-N 2.78Å; E31-V44 HydrophobicContact CB-CG1 4.11Å; E31-V44 HydrophobicContact CB-CG2 3.93Å; E31-V44 WeakPolarHBondContact OE2-CG1 3.21Å; V44-P75 HydrophobicContact CG2-CB 3.5Å; V44-P75 VanDerWaalsContact CG2-CB 3.5Å |
| 45 | T | 85.4 | Confident | 81.3 | Confident | 89 Ų | 89 | 78 Ų | 78 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.2 | 178 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 46 | C | 80.4 | Confident | 81.1 | Confident | 9 Ų | 9 | 81.4 Ų | 81.4 | 6% | 0.061 | 47% | 0.465 | C | S | . | . | trans | -68 | 134.4 | 174.5 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | L27 C29 P75 C76 | L27-C46 HydrophobicContact CB-CB 4.28Å; L27-C46 WeakPolarHBondContact O-CB 3.29Å; L27-C46 PolarHBondContact O-N 2.03Å; C29-C46 VanDerWaalsContact SG-SG 3.63Å; C46-P75 PolarHBondContact SG-O 3.41Å; C46-P75 VanDerWaalsContact SG-O 3.34Å; C46-C76 WeakPolarHBondContact CA-SG 3.16Å; C46-C76 HydrophobicContact CB-CB 3.89Å; C46-C76 WeakPolarHBondContact CB-SG 3.06Å; C46-C76 WeakPolarHBondContact SG-CB 3.26Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 2.81Å | ||
| 47 | R | 75 | Confident | 81 | Confident | 251 Ų | 251 | 82.8 Ų | 82.8 | 95% | 0.947 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -77 | -25.7 | 175.1 | -65.8 | -176.4 | -178 | 152.5 | 2.1 | 112.7 | ||
| 48 | A | 67.9 | Low | 81.1 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 32% | 0.322 | 47% | 0.473 | S | S | . | . | trans | -89.2 | 130.3 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | D50 | A48-D50 VanDerWaalsContact C-N 3.27Å; A48-D50 PolarHBondContact O-N 3.25Å | ||
| 49 | S | 65.1 | Low | 81.2 | Confident | 135 Ų | 135 | 81.2 Ų | 81.2 | 94% | 0.944 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -75 | -18.4 | -179.1 | -50.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 50 | D | 69.6 | Low | 80.7 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 63% | 0.631 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -104.7 | -2.9 | -179.4 | 57 | -23.8 | 0 | 0 | 0 | 113.4 | A48 | A48-D50 VanDerWaalsContact C-N 3.27Å; A48-D50 PolarHBondContact O-N 3.25Å |
| 51 | G | 74.8 | Confident | 80.1 | Confident | 11 Ų | 11 | 83.5 Ų | 83.5 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | trans | -69.9 | 158.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L27 S77 | L27-G51 WeakPolarHBondContact CD2-O 3.42Å; G51-S77 CarbonylContact C-O 3.55Å; G51-S77 WeakPolarHBondContact CA-O 2.97Å | ||
| 52 | F | 81 | Confident | 79.2 | Confident | 106 Ų | 106 | 88.5 Ų | 88.5 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.5 | 173.7 | 59.7 | -81.7 | 0 | 0 | 0 | 111.4 | I54 S77 P78 | F52-I54 HydrophobicContact CD2-CD1 4.22Å; F52-I54 HydrophobicContact CD2-CG1 3.69Å; F52-I54 HydrophobicContact CE2-CD1 3.42Å; F52-I54 VanDerWaalsContact CE2-CD1 3.42Å; F52-I54 HydrophobicContact CE2-CG1 3.37Å; F52-I54 HydrophobicContact CZ-CD1 3.86Å; F52-I54 HydrophobicContact CZ-CG1 4.26Å; F52-S77 PolarHBondContact N-O 3.14Å; F52-S77 PolarHBondContact O-N 2.82Å; F52-P78 WeakPolarHBondContact CE1-O 3.41Å |
| 53 | C | 85.4 | Confident | 78.1 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 37% | 0.365 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 130.4 | 179 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | C29 | C29-C53 VanDerWaalsContact CA-SG 3.5Å; C29-C53 HydrophobicContact CB-CB 3.79Å; C29-C53 WeakPolarHBondContact CB-SG 3.38Å; C29-C53 WeakPolarHBondContact SG-CA 3.07Å; C29-C53 WeakPolarHBondContact SG-CB 3.07Å; C29-C53 CovalentContact SG-SG 2.03Å; C29-C53 PolarHBondContact SG-SG 3.29Å |
| 54 | I | 85.4 | Confident | 77.1 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 24% | 0.236 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.2 | 175 | -57.1 | -173 | 0 | 0 | 0 | 109.9 | F52 Q56 S74 S77 | F52-I54 HydrophobicContact CD2-CD1 4.22Å; F52-I54 HydrophobicContact CD2-CG1 3.69Å; F52-I54 HydrophobicContact CE2-CD1 3.42Å; F52-I54 VanDerWaalsContact CE2-CD1 3.42Å; F52-I54 HydrophobicContact CE2-CG1 3.37Å; F52-I54 HydrophobicContact CZ-CD1 3.86Å; F52-I54 HydrophobicContact CZ-CG1 4.26Å; I54-Q56 HydrophobicContact CG2-CG 4.22Å; I54-S74 PolarHBondContact O-N 2.86Å; I54-S74 VanDerWaalsContact O-N 3.14Å; I54-S74 PolarHBondContact O-OG 3.14Å; I54-S77 VanDerWaalsContact CD1-CB 3.41Å; I54-S77 WeakPolarHBondContact CD1-OG 3.32Å |
| 55 | A | 85.5 | Confident | 75.8 | Confident | 53 Ų | 53 | 98.1 Ų | 98.1 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y72 K73 | A55-Y72 CarbonylContact C-O 3.52Å; A55-K73 HydrophobicContact CB-CD 3.77Å; A55-K73 HydrophobicContact CB-CG 4.15Å |
| 56 | Q | 81.7 | Confident | 74.8 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131 | 174.9 | -67.8 | 179.4 | 87.1 | 0 | 0 | 108.3 | I54 Y72 | I54-Q56 HydrophobicContact CG2-CG 4.22Å; Q56-Y72 PolarHBondContact N-O 2.95Å; Q56-Y72 WeakPolarHBondContact O-CA 3.49Å; Q56-Y72 PolarHBondContact O-N 2.73Å |
| 57 | N | 82.2 | Confident | 74.4 | Confident | 96 Ų | 96 | 103.3 Ų | 103.3 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.8 | 173.6 | 44.3 | 35.3 | 0 | 0 | 0 | 109.4 | I70 | N57-I70 WeakPolarHBondContact CA-O 3.41Å |
| 58 | I | 81.4 | Confident | 74.4 | Confident | 84 Ų | 84 | 94.8 Ų | 94.8 | 43% | 0.431 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | 176 | -48.9 | 174.8 | 0 | 0 | 0 | 107.1 | L60 I70 | I58-L60 HydrophobicContact CG2-CD1 3.78Å; I58-I70 HydrophobicContact CB-CD1 4.1Å; I58-I70 HydrophobicContact CB-CG1 3.78Å; I58-I70 HydrophobicContact CD1-CD1 4.46Å; I58-I70 PolarHBondContact N-O 2.81Å; I58-I70 VanDerWaalsContact O-CG1 3.32Å; I58-I70 WeakPolarHBondContact O-CG1 3.08Å; I58-I70 PolarHBondContact O-N 2.91Å |
| 59 | E | 82.6 | Confident | 75 | Confident | 126 Ų | 126 | 98.4 Ų | 98.4 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108 | 173.4 | -72.4 | 175 | -174.8 | 0 | 0 | 108.1 | R69 | E59-R69 HydrophobicContact CG-CG 3.96Å; E59-R69 IonicContact OE1-CZ 3.19Å; E59-R69 IonicContact OE1-NE 2.81Å; E59-R69 PolarHBondContact OE1-NE 3.07Å; E59-R69 IonicContact OE1-NH2 2.82Å; E59-R69 PolarHBondContact OE1-NH2 3.07Å |
| 60 | L | 75.2 | Confident | 75.7 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 119.2 | 169.3 | -97.7 | 77.6 | 0 | 0 | 0 | 108.7 | I58 E62 L68 I70 | I58-L60 HydrophobicContact CG2-CD1 3.78Å; L60-E62 PolarHBondContact O-N 3.34Å; L60-L68 HydrophobicContact CB-CB 4.27Å; L60-L68 PolarHBondContact N-O 3.14Å; L60-L68 PolarHBondContact O-N 3.43Å; L60-I70 HydrophobicContact CD1-CD1 3.83Å; L60-I70 HydrophobicContact CD1-CG1 4.37Å |
| 61 | I | 75.4 | Confident | 76.2 | Confident | 143 Ų | 143 | 89.3 Ų | 89.3 | 73% | 0.733 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 94.4 | 169.1 | -54.9 | 170.9 | 0 | 0 | 0 | 106.4 | ||
| 62 | E | 69.2 | Low | 76.2 | Confident | 128 Ų | 128 | 92.8 Ų | 92.8 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.8 | 173 | -165.2 | 165 | -162.4 | 0 | 0 | 108.5 | L60 S64 | L60-E62 PolarHBondContact O-N 3.34Å; E62-S64 PolarHBondContact O-N 3.16Å; E62-S64 VanDerWaalsContact O-N 3.14Å |
| 63 | G | 63 | Low | 76.1 | Confident | 68 Ų | 68 | 90.6 Ų | 90.6 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 120.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 64 | S | 66.5 | Low | 75.3 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 76% | 0.755 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 78.1 | -170.9 | 69.6 | 0 | 0 | 0 | 0 | 115.6 | E62 S66 | E62-S64 PolarHBondContact O-N 3.16Å; E62-S64 VanDerWaalsContact O-N 3.14Å; S64-S66 PolarHBondContact O-N 2.86Å; S64-S66 VanDerWaalsContact O-N 3.14Å |
| 65 | H | 59.1 | Low | 74.4 | Confident | 206 Ų | 206 | 88 Ų | 88 | 95% | 0.954 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 5.8 | 155.1 | -71.3 | 168.1 | 0 | 0 | 0 | 120.3 | ||
| 66 | S | 65 | Low | 74 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.4 | 171.4 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | S64 | S64-S66 PolarHBondContact O-N 2.86Å; S64-S66 VanDerWaalsContact O-N 3.14Å |
| 67 | N | 72.3 | Confident | 73.7 | Confident | 143 Ų | 143 | 84 Ų | 84 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.2 | 168.2 | -65.1 | -44.4 | 0 | 0 | 0 | 107.1 | ||
| 68 | L | 74.9 | Confident | 72.9 | Confident | 73 Ų | 73 | 86 Ų | 86 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.1 | 174.2 | 179 | 64.2 | 0 | 0 | 0 | 108.8 | L60 I70 | L60-L68 HydrophobicContact CB-CB 4.27Å; L60-L68 PolarHBondContact N-O 3.14Å; L60-L68 PolarHBondContact O-N 3.43Å; L68-I70 HydrophobicContact CD1-CG2 4.45Å; L68-I70 HydrophobicContact CD2-CG2 4.17Å; L68-I70 HydrophobicContact CG-CG2 4.02Å |
| 69 | R | 79.1 | Confident | 72.5 | Confident | 115 Ų | 115 | 86.1 Ų | 86.1 | 43% | 0.434 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.2 | 175.3 | -158.5 | 166.4 | -154.7 | -150.6 | 14.1 | 109.5 | I37 E59 | I37-R69 HydrophobicContact CD1-CB 4.39Å; I37-R69 HydrophobicContact CD1-CG 3.74Å; I37-R69 PolarHBondContact N-O 3.22Å; E59-R69 HydrophobicContact CG-CG 3.96Å; E59-R69 IonicContact OE1-CZ 3.19Å; E59-R69 IonicContact OE1-NE 2.81Å; E59-R69 PolarHBondContact OE1-NE 3.07Å; E59-R69 IonicContact OE1-NH2 2.82Å; E59-R69 PolarHBondContact OE1-NH2 3.07Å |
| 70 | I | 80.6 | Confident | 72 | Confident | 26 Ų | 26 | 84 Ų | 84 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.1 | 177.5 | 58.1 | 175 | 0 | 0 | 0 | 110.3 | V35 N57 I58 L60 L68 | V35-I70 CarbonylContact O-C 3.55Å; V35-I70 VanDerWaalsContact O-CA 3.26Å; V35-I70 WeakPolarHBondContact O-CA 3.27Å; N57-I70 WeakPolarHBondContact CA-O 3.41Å; I58-I70 HydrophobicContact CB-CD1 4.1Å; I58-I70 HydrophobicContact CB-CG1 3.78Å; I58-I70 HydrophobicContact CD1-CD1 4.46Å; I58-I70 PolarHBondContact N-O 2.81Å; I58-I70 VanDerWaalsContact O-CG1 3.32Å; I58-I70 WeakPolarHBondContact O-CG1 3.08Å; I58-I70 PolarHBondContact O-N 2.91Å; L60-I70 HydrophobicContact CD1-CD1 3.83Å; L60-I70 HydrophobicContact CD1-CG1 4.37Å; L68-I70 HydrophobicContact CD1-CG2 4.45Å; L68-I70 HydrophobicContact CD2-CG2 4.17Å; L68-I70 HydrophobicContact CG-CG2 4.02Å |
| 71 | D | 79.9 | Confident | 71.8 | Confident | 35 Ų | 35 | 84 Ų | 84 | 19% | 0.187 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.4 | 173 | -114.5 | -92.5 | 0 | 0 | 0 | 110 | G34 V35 I37 | G34-D71 PolarHBondContact N-O 3.48Å; G34-D71 VanDerWaalsContact N-O 3.16Å; V35-D71 PolarHBondContact N-O 2.91Å; V35-D71 PolarHBondContact O-N 2.77Å; I37-D71 HydrophobicContact CG1-CB 4.32Å; I37-D71 WeakPolarHBondContact CG1-OD2 3.32Å |
| 72 | Y | 74.7 | Confident | 71.6 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 33% | 0.333 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 105.8 | 173.5 | -177.8 | -82.6 | 0 | 0 | 0 | 106.8 | Y33 A55 Q56 | Y33-Y72 AromaticContact CD1-CD2 3.52Å; Y33-Y72 HydrophobicContact CD1-CD2 3.52Å; Y33-Y72 HydrophobicContact CD1-CE1 4.19Å; Y33-Y72 AromaticContact CD1-CE2 3.07Å; Y33-Y72 HydrophobicContact CD1-CE2 3.07Å; Y33-Y72 HydrophobicContact CD1-CG 4.23Å; Y33-Y72 AromaticContact CD1-CZ 3.43Å; Y33-Y72 VanDerWaalsContact CD1-CZ 3.43Å; Y33-Y72 HydrophobicContact CE1-CD2 4.32Å; Y33-Y72 HydrophobicContact CE1-CE1 4.05Å; Y33-Y72 AromaticContact CE1-CE2 3.58Å; Y33-Y72 HydrophobicContact CE1-CE2 3.58Å; Y33-Y72 AromaticContact CE1-CZ 3.38Å; Y33-Y72 WeakPolarHBondContact CE1-OH 3.17Å; Y33-Y72 HydrophobicContact CG-CD2 4.39Å; Y33-Y72 HydrophobicContact CG-CE2 4.05Å; A55-Y72 CarbonylContact C-O 3.52Å; Q56-Y72 PolarHBondContact N-O 2.95Å; Q56-Y72 WeakPolarHBondContact O-CA 3.49Å; Q56-Y72 PolarHBondContact O-N 2.73Å |
| 73 | K | 78.6 | Confident | 71.7 | Confident | 60 Ų | 60 | 77.6 Ų | 77.6 | 26% | 0.261 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 102.8 | 177.2 | -148.9 | 134.7 | 177.8 | 175.4 | 0 | 108.4 | Y30 C32 A55 | Y30-K73 VanDerWaalsContact O-CG 3.29Å; Y30-K73 WeakPolarHBondContact O-CG 3.35Å; C32-K73 PolarHBondContact N-O 3.5Å; C32-K73 PolarHBondContact O-N 2.76Å; A55-K73 HydrophobicContact CB-CD 3.77Å; A55-K73 HydrophobicContact CB-CG 4.15Å |
| 74 | S | 69.9 | Low | 72.3 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 11% | 0.112 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.8 | 174.4 | 52.1 | 0 | 0 | 0 | 0 | 109.3 | I54 C76 | I54-S74 PolarHBondContact O-N 2.86Å; I54-S74 VanDerWaalsContact O-N 3.14Å; I54-S74 PolarHBondContact O-OG 3.14Å; S74-C76 PolarHBondContact O-N 2.81Å |
| 75 | P | 66.5 | Low | 72.7 | Confident | 28 Ų | 28 | 76.1 Ų | 76.1 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | -47.4 | -170.6 | 26.2 | -36.1 | 0 | 0 | 0 | 111.5 | C29 E31 Y33 V44 C46 | C29-P75 WeakPolarHBondContact CB-O 3.04Å; C29-P75 PolarHBondContact SG-O 2.95Å; E31-P75 HydrophobicContact CB-CB 4.2Å; E31-P75 HydrophobicContact CG-CB 4.14Å; E31-P75 HydrophobicContact CG-CG 4.31Å; E31-P75 WeakPolarHBondContact OE1-CG 3.37Å; Y33-P75 WeakPolarHBondContact OH-CD 3.33Å; V44-P75 HydrophobicContact CG2-CB 3.5Å; V44-P75 VanDerWaalsContact CG2-CB 3.5Å; C46-P75 PolarHBondContact SG-O 3.41Å; C46-P75 VanDerWaalsContact SG-O 3.34Å |
| 76 | C | 75.4 | Confident | 73.8 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 123.3 | -174.6 | -46.4 | 0 | 0 | 0 | 0 | 109.8 | C46 S74 | C46-C76 WeakPolarHBondContact CA-SG 3.16Å; C46-C76 HydrophobicContact CB-CB 3.89Å; C46-C76 WeakPolarHBondContact CB-SG 3.06Å; C46-C76 WeakPolarHBondContact SG-CB 3.26Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 2.81Å; S74-C76 PolarHBondContact O-N 2.81Å |
| 77 | S | 75.6 | Confident | 74.5 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 142.8 | 164.8 | -85.3 | 0 | 0 | 0 | 0 | 110.4 | G51 F52 I54 | G51-S77 CarbonylContact C-O 3.55Å; G51-S77 WeakPolarHBondContact CA-O 2.97Å; F52-S77 PolarHBondContact N-O 3.14Å; F52-S77 PolarHBondContact O-N 2.82Å; I54-S77 VanDerWaalsContact CD1-CB 3.41Å; I54-S77 WeakPolarHBondContact CD1-OG 3.32Å |
| 78 | P | 66.7 | Low | 74.7 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 90% | 0.896 | 31% | 0.314 | S | S | * | . | trans | -66.6 | 0 | 166.7 | 31.9 | -34.5 | 0 | 0 | 0 | 111.7 | F52 | F52-P78 WeakPolarHBondContact CE1-O 3.41Š|
Retrieved 78 of 78 residues in 41.7 ms
(Link to these results)