| 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 | 53.2 | Low | 64.6 | Low | 213 Ų | 213 | 132.8 Ų | 132.8 | 100% | 1.049 | 66% | 0.66 | S | S | * | * | 0 | -10.6 | 0 | -80.8 | 153.7 | 71.3 | 0 | 0 | 112.3 | R3 | M1-R3 PolarHBondContact O-N 3.18Š| |||
| 2 | D | 58.2 | Low | 65.7 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.4 | -19 | -171 | -51.2 | -74.3 | 0 | 0 | 0 | 117.5 | R6 | D2-R6 PolarHBondContact O-N 2.87Å |
| 3 | R | 54.8 | Low | 66.5 | Low | 224 Ų | 224 | 122.5 Ų | 122.5 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.7 | -34.8 | -179.7 | -87.9 | -172.4 | 179.6 | -172.3 | 0.5 | 113.4 | M1 C7 | M1-R3 PolarHBondContact O-N 3.18Å; R3-C7 PolarHBondContact O-N 2.92Å |
| 4 | L | 57.6 | Low | 67.1 | Low | 141 Ų | 141 | 122.5 Ų | 122.5 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.2 | -40 | 178.8 | -140.9 | 78.2 | 0 | 0 | 0 | 109.8 | C7 V8 | L4-C7 PolarHBondContact O-N 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.07Å |
| 5 | D | 58.3 | Low | 67.4 | Low | 101 Ų | 101 | 121.4 Ų | 121.4 | 54% | 0.54 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.2 | -43.3 | 178.4 | -131.5 | -11.3 | 0 | 0 | 0 | 112.1 | C7 V8 I9 | D5-C7 VanDerWaalsContact C-N 3.33Å; D5-C7 PolarHBondContact O-N 2.95Å; D5-V8 PolarHBondContact O-N 3.32Å; D5-I9 WeakPolarHBondContact O-CD1 3.46Å; D5-I9 WeakPolarHBondContact O-CG1 3.5Å; D5-I9 PolarHBondContact O-N 3.07Å |
| 6 | R | 62.9 | Low | 67.3 | Low | 193 Ų | 193 | 118.5 Ų | 118.5 | 73% | 0.728 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.6 | -38.3 | 173.9 | -87 | 176.1 | 81.2 | 170 | 4.4 | 113 | D2 T10 | D2-R6 PolarHBondContact O-N 2.87Å; R6-T10 WeakPolarHBondContact O-CG2 3.42Å; R6-T10 PolarHBondContact O-N 2.97Å; R6-T10 PolarHBondContact O-OG1 2.04Å |
| 7 | C | 66.3 | Low | 67.1 | Low | 80 Ų | 80 | 116 Ų | 116 | 54% | 0.541 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.2 | -37.5 | 176.5 | -82.3 | 0 | 0 | 0 | 0 | 112.5 | R3 L4 D5 T10 L11 | R3-C7 PolarHBondContact O-N 2.92Å; L4-C7 PolarHBondContact O-N 3.15Å; D5-C7 VanDerWaalsContact C-N 3.33Å; D5-C7 PolarHBondContact O-N 2.95Å; C7-T10 WeakPolarHBondContact CA-OG1 3.49Å; C7-T10 PolarHBondContact O-OG1 2.87Å; C7-T10 VanDerWaalsContact O-OG1 3.04Å; C7-L11 WeakPolarHBondContact O-CB 3.44Å; C7-L11 PolarHBondContact O-N 3.12Å |
| 8 | V | 74.9 | Confident | 66.7 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.2 | -41.8 | 177.3 | 173 | 0 | 0 | 0 | 0 | 110.5 | L4 D5 L11 A12 | L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.07Å; D5-V8 PolarHBondContact O-N 3.32Å; V8-L11 PolarHBondContact O-N 2.04Å; V8-A12 VanDerWaalsContact O-CB 3.32Å; V8-A12 WeakPolarHBondContact O-CB 3.35Å; V8-A12 PolarHBondContact O-N 3.3Å |
| 9 | I | 75.4 | Confident | 66.3 | Low | 99 Ų | 99 | 110.7 Ų | 110.7 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -43.9 | 177 | -64.5 | 163.9 | 0 | 0 | 0 | 111 | D5 L11 A12 V13 | D5-I9 WeakPolarHBondContact O-CD1 3.46Å; D5-I9 WeakPolarHBondContact O-CG1 3.5Å; D5-I9 PolarHBondContact O-N 3.07Å; I9-L11 PolarHBondContact O-N 3.07Å; I9-A12 PolarHBondContact O-N 2.87Å; I9-V13 HydrophobicContact CG2-CG2 4.42Å; I9-V13 VanDerWaalsContact O-CG2 3.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.15Å; I9-V13 PolarHBondContact O-N 3.16Å |
| 10 | T | 73.8 | Confident | 65.7 | Low | 79 Ų | 79 | 111.7 Ų | 111.7 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -37.5 | 177.3 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | R6 C7 V13 L14 | R6-T10 WeakPolarHBondContact O-CG2 3.42Å; R6-T10 PolarHBondContact O-N 2.97Å; R6-T10 PolarHBondContact O-OG1 2.04Å; C7-T10 WeakPolarHBondContact CA-OG1 3.49Å; C7-T10 PolarHBondContact O-OG1 2.87Å; C7-T10 VanDerWaalsContact O-OG1 3.04Å; T10-V13 PolarHBondContact O-N 2.83Å; T10-L14 WeakPolarHBondContact O-CB 3.15Å; T10-L14 PolarHBondContact O-N 3.32Å |
| 11 | L | 75.4 | Confident | 65.1 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -43.2 | 173.9 | -130.3 | 98.8 | 0 | 0 | 0 | 111.6 | C7 V8 I9 L14 L15 | C7-L11 WeakPolarHBondContact O-CB 3.44Å; C7-L11 PolarHBondContact O-N 3.12Å; V8-L11 PolarHBondContact O-N 2.04Å; I9-L11 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.05Å; L11-L15 HydrophobicContact CD2-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 3.49Å |
| 12 | A | 77.1 | Confident | 64.8 | Low | 49 Ų | 49 | 108.3 Ų | 108.3 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V8 I9 L15 C16 | V8-A12 VanDerWaalsContact O-CB 3.32Å; V8-A12 WeakPolarHBondContact O-CB 3.35Å; V8-A12 PolarHBondContact O-N 3.3Å; I9-A12 PolarHBondContact O-N 2.87Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-C16 WeakPolarHBondContact O-CB 3.27Å; A12-C16 PolarHBondContact O-N 3.37Å |
| 13 | V | 77 | Confident | 64.3 | Low | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -43.8 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I9 T10 L15 C16 V17 | I9-V13 HydrophobicContact CG2-CG2 4.42Å; I9-V13 VanDerWaalsContact O-CG2 3.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.15Å; I9-V13 PolarHBondContact O-N 3.16Å; T10-V13 PolarHBondContact O-N 2.83Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.41Å; V13-C16 PolarHBondContact O-N 2.86Å; V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.04Å; V13-V17 WeakPolarHBondContact O-CG2 3.07Å; V13-V17 PolarHBondContact O-N 3.35Å |
| 14 | L | 74.9 | Confident | 64.1 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 64% | 0.644 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.9 | -40.1 | 175.1 | -95.9 | 150.7 | 0 | 0 | 0 | 112.5 | T10 L11 V17 A18 | T10-L14 WeakPolarHBondContact O-CB 3.15Å; T10-L14 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 3.05Å; L14-V17 PolarHBondContact O-N 3.39Å; L14-A18 WeakPolarHBondContact O-CB 3.41Å; L14-A18 PolarHBondContact O-N 3.01Å |
| 15 | L | 71.3 | Confident | 64.1 | Low | 106 Ų | 106 | 101.9 Ų | 101.9 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.4 | -41 | 174.2 | -86 | 154.5 | 0 | 0 | 0 | 112 | L11 A12 V13 T19 | L11-L15 HydrophobicContact CD2-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 3.49Å; A12-L15 PolarHBondContact O-N 3.14Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.41Å; L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 VanDerWaalsContact O-CG2 3.3Å; L15-T19 WeakPolarHBondContact O-CG2 3.06Å; L15-T19 PolarHBondContact O-N 2.76Å; L15-T19 PolarHBondContact O-OG1 2.85Å |
| 16 | C | 66.4 | Low | 64.5 | Low | 75 Ų | 75 | 99.6 Ų | 99.6 | 51% | 0.507 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 173.9 | -84.3 | 0 | 0 | 0 | 0 | 112.2 | A12 V13 T19 Q20 | A12-C16 WeakPolarHBondContact O-CB 3.27Å; A12-C16 PolarHBondContact O-N 3.37Å; V13-C16 PolarHBondContact O-N 2.86Å; C16-T19 VanDerWaalsContact CA-OG1 3.29Å; C16-T19 WeakPolarHBondContact CA-OG1 3.4Å; C16-T19 PolarHBondContact O-OG1 3.32Å; C16-Q20 WeakPolarHBondContact O-CB 3.38Å; C16-Q20 VanDerWaalsContact O-CG 3.31Å; C16-Q20 WeakPolarHBondContact O-CG 3.46Å; C16-Q20 PolarHBondContact O-N 2.78Å |
| 17 | V | 62.8 | Low | 64.7 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -41.7 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | V13 L14 T19 Q20 V21 | V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.04Å; V13-V17 WeakPolarHBondContact O-CG2 3.07Å; V13-V17 PolarHBondContact O-N 3.35Å; L14-V17 PolarHBondContact O-N 3.39Å; V17-T19 PolarHBondContact O-N 2.89Å; V17-Q20 PolarHBondContact O-N 3.19Å; V17-V21 HydrophobicContact CG1-CG2 4.45Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2Å |
| 18 | A | 60.3 | Low | 64.9 | Low | 52 Ų | 52 | 102.4 Ų | 102.4 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L14 V21 L22 | L14-A18 WeakPolarHBondContact O-CB 3.41Å; L14-A18 PolarHBondContact O-N 3.01Å; A18-V21 PolarHBondContact O-N 3.31Å; A18-L22 PolarHBondContact O-N 3.16Å |
| 19 | T | 58.3 | Low | 64.9 | Low | 80 Ų | 80 | 103.7 Ų | 103.7 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.3 | -34.4 | 173.6 | 47 | 0 | 0 | 0 | 0 | 112.3 | L15 C16 V17 L22 C23 | L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 VanDerWaalsContact O-CG2 3.3Å; L15-T19 WeakPolarHBondContact O-CG2 3.06Å; L15-T19 PolarHBondContact O-N 2.76Å; L15-T19 PolarHBondContact O-OG1 2.85Å; C16-T19 VanDerWaalsContact CA-OG1 3.29Å; C16-T19 WeakPolarHBondContact CA-OG1 3.4Å; C16-T19 PolarHBondContact O-OG1 3.32Å; V17-T19 PolarHBondContact O-N 2.89Å; T19-L22 PolarHBondContact O-N 2.99Å; T19-C23 PolarHBondContact O-N 3.27Å |
| 20 | Q | 55 | Low | 64.9 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 60% | 0.603 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.8 | -33.4 | 171.1 | -76.8 | -172.6 | 0.5 | 0 | 0 | 113.1 | C16 V17 Q24 | C16-Q20 WeakPolarHBondContact O-CB 3.38Å; C16-Q20 VanDerWaalsContact O-CG 3.31Å; C16-Q20 WeakPolarHBondContact O-CG 3.46Å; C16-Q20 PolarHBondContact O-N 2.78Å; V17-Q20 PolarHBondContact O-N 3.19Å; Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.4Å; Q20-Q24 PolarHBondContact O-NE2 2.84Å |
| 21 | V | 53.6 | Low | 65.2 | Low | 101 Ų | 101 | 105.1 Ų | 105.1 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.5 | -34.1 | 175.4 | 174 | 0 | 0 | 0 | 0 | 111.5 | V17 A18 C23 | V17-V21 HydrophobicContact CG1-CG2 4.45Å; V17-V21 VanDerWaalsContact O-CG2 3.25Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2Å; A18-V21 PolarHBondContact O-N 3.31Å; V21-C23 PolarHBondContact O-N 2.92Å |
| 22 | L | 46.5 | Very low | 65.4 | Low | 154 Ų | 154 | 102.7 Ų | 102.7 | 81% | 0.806 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69 | -17.4 | 174.3 | -120.4 | 75.3 | 0 | 0 | 0 | 113.6 | A18 T19 | A18-L22 PolarHBondContact O-N 3.16Å; T19-L22 PolarHBondContact O-N 2.99Å |
| 23 | C | 48.2 | Very low | 65.2 | Low | 101 Ų | 101 | 104.6 Ų | 104.6 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 14.3 | -176 | -95.7 | 0 | 0 | 0 | 0 | 115 | T19 V21 L25 | T19-C23 PolarHBondContact O-N 3.27Å; V21-C23 PolarHBondContact O-N 2.92Å; C23-L25 PolarHBondContact O-N 3.17Å |
| 24 | Q | 50.2 | Low | 64.5 | Low | 132 Ų | 132 | 106.2 Ų | 106.2 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 10.3 | -173.3 | -68.6 | -63.2 | -40.7 | 0 | 0 | 116.8 | Q20 | Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.4Å; Q20-Q24 PolarHBondContact O-NE2 2.84Å |
| 25 | L | 57.2 | Low | 63.9 | Low | 127 Ų | 127 | 104.8 Ų | 104.8 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -27.6 | 177.6 | -95.6 | 86.2 | 0 | 0 | 0 | 113.7 | C23 E66 | C23-L25 PolarHBondContact O-N 3.17Å; L25-E66 WeakPolarHBondContact CD2-OE2 3.48Å |
| 26 | C | 67.3 | Low | 63.4 | Low | 52 Ų | 52 | 102 Ų | 102 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -123.8 | 108.8 | -176.2 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | C50 | C26-C50 VanDerWaalsContact CA-SG 3.53Å; C26-C50 HydrophobicContact CB-CB 3.78Å; C26-C50 WeakPolarHBondContact CB-SG 3.37Å; C26-C50 WeakPolarHBondContact SG-CA 3.31Å; C26-C50 WeakPolarHBondContact SG-CB 3.05Å; C26-C50 CovalentContact SG-SG 2.04Å; C26-C50 PolarHBondContact SG-SG 2.93Å |
| 27 | N | 68 | Low | 62.9 | Low | 133 Ų | 133 | 103.4 Ų | 103.4 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | trans | -71.9 | 130.2 | 177.9 | -143.5 | 4.4 | 0 | 0 | 0 | 109.8 | ||||
| 28 | R | 69.6 | Low | 63.5 | Low | 200 Ų | 200 | 108.3 Ų | 108.3 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -121.8 | 129.6 | 172.4 | -72.3 | -163 | 173.3 | -164.9 | -1.8 | 109.1 | ||
| 29 | P | 73.9 | Confident | 64.5 | Low | 116 Ų | 116 | 107 Ų | 107 | 75% | 0.753 | 61% | 0.61 | S | S | * | * | S | Bend | cis | -76 | 149.2 | 7 | 30.8 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 30 | C | 77.1 | Confident | 65.8 | Low | 41 Ų | 41 | 106.6 Ų | 106.6 | 28% | 0.277 | 62% | 0.615 | S | S | . | * | trans | -78.7 | 135.8 | -179.6 | -45.2 | 0 | 0 | 0 | 0 | 110.8 | C52 | C30-C52 HydrophobicContact CB-CB 3.67Å; C30-C52 WeakPolarHBondContact CB-SG 3.35Å; C30-C52 WeakPolarHBondContact SG-CB 3.32Å; C30-C52 CovalentContact SG-SG 2Å; C30-C52 PolarHBondContact SG-SG 2.91Å | ||
| 31 | L | 79.4 | Confident | 67.3 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 88% | 0.88 | 63% | 0.629 | S | S | * | * | trans | -102 | 89.4 | 176.5 | -66.9 | 167.4 | 0 | 0 | 0 | 108.6 | ||||
| 32 | C | 78.7 | Confident | 68.8 | Low | 60 Ų | 60 | 103.8 Ų | 103.8 | 41% | 0.405 | 63% | 0.63 | S | S | . | * | trans | -88.7 | 136.7 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 111 | A34 C53 | C32-A34 PolarHBondContact O-N 2.87Å; C32-C53 WeakPolarHBondContact CA-SG 3.3Å; C32-C53 HydrophobicContact CB-CB 3.81Å; C32-C53 WeakPolarHBondContact CB-SG 3.11Å; C32-C53 WeakPolarHBondContact SG-CA 3.38Å; C32-C53 WeakPolarHBondContact SG-CB 3.46Å; C32-C53 CovalentContact SG-SG 2.04Å; C32-C53 PolarHBondContact SG-SG 3.31Å | ||
| 33 | P | 72.7 | Confident | 70.9 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | trans | -61.2 | 131.7 | 172.6 | 22.6 | -28.9 | 0 | 0 | 0 | 110 | S35 V36 | P33-S35 PolarHBondContact O-N 2.91Å; P33-S35 VanDerWaalsContact O-N 3.14Å; P33-V36 HydrophobicContact CG-CG2 4.23Å | ||
| 34 | A | 64.1 | Low | 72.9 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 96% | 0.959 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -67.2 | -13.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | C32 | C32-A34 PolarHBondContact O-N 2.87Š|
| 35 | S | 62.2 | Low | 74.8 | Confident | 94 Ų | 94 | 91.6 Ų | 91.6 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | trans | -123.3 | 87.3 | -177.3 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | P33 | P33-S35 PolarHBondContact O-N 2.91Å; P33-S35 VanDerWaalsContact O-N 3.14Å | ||
| 36 | V | 59.7 | Low | 76.4 | Confident | 48 Ų | 48 | 87 Ų | 87 | 29% | 0.291 | 54% | 0.542 | S | S | . | . | trans | -115.2 | 59.6 | 159.3 | -159.9 | 0 | 0 | 0 | 0 | 106.8 | P33 L45 Q54 | P33-V36 HydrophobicContact CG-CG2 4.23Å; V36-L45 HydrophobicContact CB-CD2 4.26Å; V36-L45 HydrophobicContact CG1-CD2 3.91Å; V36-Q54 WeakPolarHBondContact CG2-O 3.48Å | ||
| 37 | S | 56.8 | Low | 77.4 | Confident | 103 Ų | 103 | 87.6 Ų | 87.6 | 72% | 0.72 | 55% | 0.545 | S | S | * | . | trans | -85.4 | -26.9 | -161.6 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 38 | Q | 74.1 | Confident | 78.3 | Confident | 180 Ų | 180 | 81.9 Ų | 81.9 | 84% | 0.841 | 52% | 0.515 | S | S | * | . | trans | -150.3 | 110.7 | 175.4 | -65.4 | -178 | -0.4 | 0 | 0 | 110.3 | ||||
| 39 | C | 82.4 | Confident | 78.6 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 16% | 0.155 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 158.6 | 163.7 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | V43 C56 | C39-V43 HydrophobicContact CB-CB 3.97Å; C39-V43 HydrophobicContact CB-CG1 4.01Å; C39-V43 VanDerWaalsContact CB-O 3.27Å; C39-V43 WeakPolarHBondContact CB-O 2.85Å; C39-C56 WeakPolarHBondContact CA-SG 3.41Å; C39-C56 HydrophobicContact CB-CB 3.86Å; C39-C56 WeakPolarHBondContact CB-SG 3.37Å; C39-C56 WeakPolarHBondContact SG-CA 3.04Å; C39-C56 WeakPolarHBondContact SG-CB 3.48Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.17Å |
| 40 | A | 86.1 | Confident | 79 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 60% | 0.603 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 154 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G42 V43 | A40-G42 PolarHBondContact O-N 3.04Å; A40-V43 HydrophobicContact CB-CG2 4.07Å; A40-V43 WeakPolarHBondContact O-CB 3.31Å; A40-V43 PolarHBondContact O-N 3.36Å |
| 41 | A | 85.8 | Confident | 79.2 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 90% | 0.901 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 125.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 42 | G | 84.9 | Confident | 79.4 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 63% | 0.629 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 15.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A40 K74 | A40-G42 PolarHBondContact O-N 3.04Å; G42-K74 WeakPolarHBondContact O-CE 3.25Å; G42-K74 PolarHBondContact O-NZ 3.03Å |
| 43 | V | 90.8 | Very high | 79.6 | Confident | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | trans | -110.1 | 120.9 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | C39 A40 C56 A57 Q59 | C39-V43 HydrophobicContact CB-CB 3.97Å; C39-V43 HydrophobicContact CB-CG1 4.01Å; C39-V43 VanDerWaalsContact CB-O 3.27Å; C39-V43 WeakPolarHBondContact CB-O 2.85Å; A40-V43 HydrophobicContact CB-CG2 4.07Å; A40-V43 WeakPolarHBondContact O-CB 3.31Å; A40-V43 PolarHBondContact O-N 3.36Å; V43-C56 HydrophobicContact CG1-CB 4.17Å; V43-A57 HydrophobicContact CG1-CB 4.4Å; V43-A57 WeakPolarHBondContact CG1-O 2.94Å; V43-Q59 HydrophobicContact CG2-CG 3.86Å | ||
| 44 | P | 90.6 | Very high | 80.3 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | trans | -78.3 | 154.3 | 180 | 30.6 | -32.8 | 0 | 0 | 0 | 112.4 | V46 A57 D71 | P44-V46 HydrophobicContact CG-CG1 4.45Å; P44-A57 HydrophobicContact CG-CB 3.91Å; P44-A57 WeakPolarHBondContact O-CB 3.3Å; P44-A57 PolarHBondContact O-N 2.03Å; P44-D71 WeakPolarHBondContact CD-OD2 2.99Å; P44-D71 WeakPolarHBondContact CG-OD1 3.05Å | ||
| 45 | L | 90.1 | Very high | 81.5 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 40% | 0.403 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131 | 161.6 | -91.8 | 116.5 | 0 | 0 | 0 | 109.5 | V36 Q54 V55 | V36-L45 HydrophobicContact CB-CD2 4.26Å; V36-L45 HydrophobicContact CG1-CD2 3.91Å; L45-Q54 HydrophobicContact CD2-CB 3.56Å; L45-V55 WeakPolarHBondContact CA-O 3.49Å |
| 46 | V | 89.9 | Confident | 82.8 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 19% | 0.188 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.8 | 179.6 | -66.7 | 0 | 0 | 0 | 0 | 110 | P44 V55 A57 P69 | P44-V46 HydrophobicContact CG-CG1 4.45Å; V46-V55 HydrophobicContact CG2-CG2 4.39Å; V46-V55 PolarHBondContact N-O 3.11Å; V46-V55 WeakPolarHBondContact O-CG2 3.26Å; V46-V55 PolarHBondContact O-N 3.48Å; V46-V55 VanDerWaalsContact O-O 3.07Å; V46-A57 HydrophobicContact CG1-CB 4Å; V46-A57 HydrophobicContact CG2-CB 3.67Å; V46-P69 HydrophobicContact CG2-CG 3.65Å |
| 47 | P | 88.6 | Confident | 84.4 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 143.3 | 174.2 | 27.8 | -33.7 | 0 | 0 | 0 | 111.1 | C53 | P47-C53 WeakPolarHBondContact CA-O 3.39Å |
| 48 | D | 86.1 | Confident | 86.1 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.07 | 37% | 0.365 | C | S | . | . | trans | -61.9 | 171.9 | 169.2 | 67.9 | 8.9 | 0 | 0 | 0 | 112.6 | C50 R51 C52 C53 V55 M67 | D48-C50 PolarHBondContact O-N 3.33Å; D48-C50 PolarHBondContact OD1-N 3Å; D48-R51 WeakPolarHBondContact O-CA 3.42Å; D48-R51 PolarHBondContact O-N 3.27Å; D48-R51 WeakPolarHBondContact OD1-CA 3.38Å; D48-R51 PolarHBondContact OD1-N 3.26Å; D48-C52 PolarHBondContact OD1-N 3.1Å; D48-C53 PolarHBondContact N-O 2.76Å; D48-C53 PolarHBondContact OD1-N 3.33Å; D48-C53 VanDerWaalsContact OD2-CB 3.31Å; D48-C53 WeakPolarHBondContact OD2-CB 3.27Å; D48-C53 PolarHBondContact OD2-N 2.04Å; D48-C53 VanDerWaalsContact OD2-N 3.12Å; D48-V55 HydrophobicContact CB-CG2 4.46Å; D48-M67 HydrophobicContact CB-SD 4.43Å | ||
| 49 | G | 77.2 | Confident | 87.1 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R51 E66 | G49-R51 VanDerWaalsContact C-N 3.28Å; G49-E66 WeakPolarHBondContact CA-O 3.03Å; G49-E66 PolarHBondContact N-O 2.82Å |
| 50 | C | 81.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.1 | 173.6 | -65.7 | 0 | 0 | 0 | 0 | 113.5 | C26 D48 C52 M67 | C26-C50 VanDerWaalsContact CA-SG 3.53Å; C26-C50 HydrophobicContact CB-CB 3.78Å; C26-C50 WeakPolarHBondContact CB-SG 3.37Å; C26-C50 WeakPolarHBondContact SG-CA 3.31Å; C26-C50 WeakPolarHBondContact SG-CB 3.05Å; C26-C50 CovalentContact SG-SG 2.04Å; C26-C50 PolarHBondContact SG-SG 2.93Å; D48-C50 PolarHBondContact O-N 3.33Å; D48-C50 PolarHBondContact OD1-N 3Å; C50-C52 HydrophobicContact CB-CB 4.43Å; C50-C52 PolarHBondContact O-N 3.49Å; C50-M67 WeakPolarHBondContact SG-CE 3.21Å |
| 51 | R | 82.1 | Confident | 87.8 | Confident | 216 Ų | 216 | 59.1 Ų | 59.1 | 82% | 0.815 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 53 | 39.5 | -175.5 | -58.5 | -177.7 | 178.5 | 175.7 | -0.4 | 113.2 | D48 G49 | D48-R51 WeakPolarHBondContact O-CA 3.42Å; D48-R51 PolarHBondContact O-N 3.27Å; D48-R51 WeakPolarHBondContact OD1-CA 3.38Å; D48-R51 PolarHBondContact OD1-N 3.26Å; G49-R51 VanDerWaalsContact C-N 3.28Å |
| 52 | C | 83.4 | Confident | 88.1 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | trans | -118.5 | -51.9 | -173.1 | -145.9 | 0 | 0 | 0 | 0 | 112.7 | C30 D48 C50 | C30-C52 HydrophobicContact CB-CB 3.67Å; C30-C52 WeakPolarHBondContact CB-SG 3.35Å; C30-C52 WeakPolarHBondContact SG-CB 3.32Å; C30-C52 CovalentContact SG-SG 2Å; C30-C52 PolarHBondContact SG-SG 2.91Å; D48-C52 PolarHBondContact OD1-N 3.1Å; C50-C52 HydrophobicContact CB-CB 4.43Å; C50-C52 PolarHBondContact O-N 3.49Å | ||
| 53 | C | 83.6 | Confident | 88.5 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.095 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -100.3 | 143.2 | 178.7 | -55 | 0 | 0 | 0 | 0 | 111 | C32 P47 D48 | C32-C53 WeakPolarHBondContact CA-SG 3.3Å; C32-C53 HydrophobicContact CB-CB 3.81Å; C32-C53 WeakPolarHBondContact CB-SG 3.11Å; C32-C53 WeakPolarHBondContact SG-CA 3.38Å; C32-C53 WeakPolarHBondContact SG-CB 3.46Å; C32-C53 CovalentContact SG-SG 2.04Å; C32-C53 PolarHBondContact SG-SG 3.31Å; P47-C53 WeakPolarHBondContact CA-O 3.39Å; D48-C53 PolarHBondContact N-O 2.76Å; D48-C53 PolarHBondContact OD1-N 3.33Å; D48-C53 VanDerWaalsContact OD2-CB 3.31Å; D48-C53 WeakPolarHBondContact OD2-CB 3.27Å; D48-C53 PolarHBondContact OD2-N 2.04Å; D48-C53 VanDerWaalsContact OD2-N 3.12Å |
| 54 | Q | 87 | Confident | 88.6 | Confident | 99 Ų | 99 | 57 Ų | 57 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.4 | 171.5 | -70.7 | -71.5 | -15.2 | 0 | 0 | 108.7 | V36 L45 | V36-Q54 WeakPolarHBondContact CG2-O 3.48Å; L45-Q54 HydrophobicContact CD2-CB 3.56Å |
| 55 | V | 88 | Confident | 88.5 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.9 | -177.9 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | L45 V46 D48 A57 P69 | L45-V55 WeakPolarHBondContact CA-O 3.49Å; V46-V55 HydrophobicContact CG2-CG2 4.39Å; V46-V55 PolarHBondContact N-O 3.11Å; V46-V55 WeakPolarHBondContact O-CG2 3.26Å; V46-V55 PolarHBondContact O-N 3.48Å; V46-V55 VanDerWaalsContact O-O 3.07Å; D48-V55 HydrophobicContact CB-CG2 4.46Å; V55-A57 PolarHBondContact O-N 3Å; V55-P69 HydrophobicContact CG2-CG 4.2Å |
| 56 | C | 90.3 | Very high | 88.2 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 28% | 0.284 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131.3 | 173.9 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | C39 V43 R58 | C39-C56 WeakPolarHBondContact CA-SG 3.41Å; C39-C56 HydrophobicContact CB-CB 3.86Å; C39-C56 WeakPolarHBondContact CB-SG 3.37Å; C39-C56 WeakPolarHBondContact SG-CA 3.04Å; C39-C56 WeakPolarHBondContact SG-CB 3.48Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.17Å; V43-C56 HydrophobicContact CG1-CB 4.17Å; C56-R58 PolarHBondContact O-N 2.77Å |
| 57 | A | 92.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -65 | 129.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | V43 P44 V46 V55 Q59 D71 | V43-A57 HydrophobicContact CG1-CB 4.4Å; V43-A57 WeakPolarHBondContact CG1-O 2.94Å; P44-A57 HydrophobicContact CG-CB 3.91Å; P44-A57 WeakPolarHBondContact O-CB 3.3Å; P44-A57 PolarHBondContact O-N 2.03Å; V46-A57 HydrophobicContact CG1-CB 4Å; V46-A57 HydrophobicContact CG2-CB 3.67Å; V55-A57 PolarHBondContact O-N 3Å; A57-Q59 PolarHBondContact O-NE2 2.69Å; A57-D71 HydrophobicContact CB-CB 3.7Å |
| 58 | R | 93.5 | Very high | 87.9 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 25% | 0.249 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 137.6 | -179.1 | -64.2 | -65.3 | 171.5 | 124 | -15.3 | 111.4 | C56 E62 P63 L68 P69 C70 D71 C91 | C56-R58 PolarHBondContact O-N 2.77Å; R58-E62 VanDerWaalsContact CA-OE2 3.3Å; R58-E62 WeakPolarHBondContact CA-OE2 3.37Å; R58-E62 HydrophobicContact CB-CB 4.26Å; R58-E62 WeakPolarHBondContact CD-OE2 3.47Å; R58-P63 PolarHBondContact NH1-O 2.82Å; R58-L68 HydrophobicContact CG-CB 4.24Å; R58-P69 PolarHBondContact N-O 2.92Å; R58-C70 CarbonylContact O-C 3.57Å; R58-C70 WeakPolarHBondContact O-CA 3.36Å; R58-D71 PolarHBondContact O-N 3.44Å; R58-C91 WeakPolarHBondContact CB-SG 3.3Å |
| 59 | Q | 94.1 | Very high | 88.1 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 169.8 | -176.7 | -57.2 | -60.7 | -63.4 | 0 | 0 | 110.9 | V43 A57 G61 E62 D71 C91 | V43-Q59 HydrophobicContact CG2-CG 3.86Å; A57-Q59 PolarHBondContact O-NE2 2.69Å; Q59-G61 PolarHBondContact O-N 3.2Å; Q59-E62 HydrophobicContact CB-CG 4.33Å; Q59-E62 PolarHBondContact N-OE2 3.28Å; Q59-E62 VanDerWaalsContact O-CB 3.26Å; Q59-E62 WeakPolarHBondContact O-CB 3.05Å; Q59-E62 WeakPolarHBondContact O-CG 3.43Å; Q59-E62 PolarHBondContact O-N 2.92Å; Q59-D71 PolarHBondContact NE2-OD2 3.01Å; Q59-C91 WeakPolarHBondContact O-CB 3.16Å |
| 60 | R | 92.6 | Very high | 88.9 | Confident | 166 Ų | 166 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 129.2 | -176.2 | -172.5 | -179.5 | -174.1 | -85.5 | -5.3 | 111.4 | E62 L76 C91 D93 D96 | R60-E62 VanDerWaalsContact C-N 3.28Å; R60-E62 PolarHBondContact O-N 3.49Å; R60-L76 HydrophobicContact CB-CD1 4.18Å; R60-L76 HydrophobicContact CB-CD2 3.97Å; R60-L76 HydrophobicContact CG-CD2 4.29Å; R60-L76 VanDerWaalsContact N-CD1 3.27Å; R60-C91 CarbonylContact C-O 3.58Å; R60-C91 WeakPolarHBondContact CA-O 3.29Å; R60-D93 WeakPolarHBondContact CD-OD2 3.25Å; R60-D93 IonicContact CZ-OD2 3.8Å; R60-D93 IonicContact NE-OD2 3.47Å; R60-D93 PolarHBondContact NE-OD2 3.48Å; R60-D93 IonicContact NH2-OD2 3.38Å; R60-D96 IonicContact NH2-OD2 2.71Å |
| 61 | G | 90.4 | Very high | 89.5 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -2.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q59 E90 C91 | Q59-G61 PolarHBondContact O-N 3.2Å; G61-E90 WeakPolarHBondContact CA-OE1 3.01Å; G61-C91 PolarHBondContact N-O 2.74Å |
| 62 | E | 93.6 | Very high | 89.8 | Confident | 79 Ų | 79 | 59 Ų | 59 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -82.3 | 148.9 | 176.3 | -65 | -171.4 | 147.3 | 0 | 0 | 111.9 | R58 Q59 R60 C64 C91 | R58-E62 VanDerWaalsContact CA-OE2 3.3Å; R58-E62 WeakPolarHBondContact CA-OE2 3.37Å; R58-E62 HydrophobicContact CB-CB 4.26Å; R58-E62 WeakPolarHBondContact CD-OE2 3.47Å; Q59-E62 HydrophobicContact CB-CG 4.33Å; Q59-E62 PolarHBondContact N-OE2 3.28Å; Q59-E62 VanDerWaalsContact O-CB 3.26Å; Q59-E62 WeakPolarHBondContact O-CB 3.05Å; Q59-E62 WeakPolarHBondContact O-CG 3.43Å; Q59-E62 PolarHBondContact O-N 2.92Å; R60-E62 VanDerWaalsContact C-N 3.28Å; R60-E62 PolarHBondContact O-N 3.49Å; E62-C64 PolarHBondContact O-N 3.2Å; E62-C91 PolarHBondContact O-N 2.91Å |
| 63 | P | 93 | Very high | 90.1 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.8 | 174.6 | 27.8 | -33.6 | 0 | 0 | 0 | 110.4 | R58 P88 G89 | R58-P63 PolarHBondContact NH1-O 2.82Å; P63-P88 HydrophobicContact CB-CB 4.2Å; P63-G89 CarbonylContact C-O 3.14Å; P63-G89 VanDerWaalsContact CA-O 3.25Å; P63-G89 WeakPolarHBondContact CA-O 3.32Å |
| 64 | C | 92.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158.6 | -178.1 | 57.1 | 0 | 0 | 0 | 0 | 112 | E62 L68 C70 C78 P88 G89 E90 C91 | E62-C64 PolarHBondContact O-N 3.2Å; C64-L68 WeakPolarHBondContact CA-O 3.32Å; C64-L68 WeakPolarHBondContact CB-O 3.47Å; C64-C70 VanDerWaalsContact SG-SG 3.63Å; C64-C78 VanDerWaalsContact C-SG 3.58Å; C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.37Å; C64-C78 WeakPolarHBondContact SG-CA 3.17Å; C64-C78 WeakPolarHBondContact SG-CB 3.5Å; C64-C78 CovalentContact SG-SG 2.02Å; C64-C78 PolarHBondContact SG-SG 2.03Å; C64-P88 CarbonylContact O-C 3.53Å; C64-P88 WeakPolarHBondContact O-CA 3.4Å; C64-G89 PolarHBondContact N-O 3.37Å; C64-G89 PolarHBondContact O-N 3.42Å; C64-E90 PolarHBondContact SG-N 3.37Å; C64-E90 VanDerWaalsContact SG-N 3.41Å; C64-C91 VanDerWaalsContact CB-SG 3.54Å |
| 65 | S | 88.9 | Confident | 90.5 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -152.3 | 176.6 | 176.3 | 69.5 | 0 | 0 | 0 | 0 | 109.1 | M67 L68 | S65-M67 PolarHBondContact O-N 2.83Å; S65-M67 PolarHBondContact OG-N 2.02Å; S65-L68 PolarHBondContact N-O 2.85Å; S65-L68 VanDerWaalsContact N-O 3.11Å; S65-L68 CarbonylContact O-C 3.6Å; S65-L68 PolarHBondContact O-N 3.41Å; S65-L68 VanDerWaalsContact O-O 3.07Å; S65-L68 PolarHBondContact OG-N 2.82Å |
| 66 | E | 83.3 | Confident | 90.6 | Very high | 135 Ų | 135 | 64.2 Ų | 64.2 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33 | 173.5 | -66.5 | -171.5 | 172.7 | 0 | 0 | 112.3 | L25 G49 | L25-E66 WeakPolarHBondContact CD2-OE2 3.48Å; G49-E66 WeakPolarHBondContact CA-O 3.03Å; G49-E66 PolarHBondContact N-O 2.82Å |
| 67 | M | 83.6 | Confident | 90.6 | Very high | 89 Ų | 89 | 65.1 Ų | 65.1 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.3 | 177 | -64 | -63.4 | -159.2 | 0 | 0 | 113.5 | D48 C50 S65 P69 | D48-M67 HydrophobicContact CB-SD 4.43Å; C50-M67 WeakPolarHBondContact SG-CE 3.21Å; S65-M67 PolarHBondContact O-N 2.83Å; S65-M67 PolarHBondContact OG-N 2.02Å; M67-P69 WeakPolarHBondContact O-CD 3.47Å |
| 68 | L | 89.2 | Confident | 90.5 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -127.3 | 76.1 | -176.8 | -65.9 | 170.8 | 0 | 0 | 0 | 109.5 | R58 C64 S65 | R58-L68 HydrophobicContact CG-CB 4.24Å; C64-L68 WeakPolarHBondContact CA-O 3.32Å; C64-L68 WeakPolarHBondContact CB-O 3.47Å; S65-L68 PolarHBondContact N-O 2.85Å; S65-L68 VanDerWaalsContact N-O 3.11Å; S65-L68 CarbonylContact O-C 3.6Å; S65-L68 PolarHBondContact O-N 3.41Å; S65-L68 VanDerWaalsContact O-O 3.07Å; S65-L68 PolarHBondContact OG-N 2.82Å |
| 69 | P | 91.1 | Very high | 90.3 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 21% | 0.214 | 32% | 0.324 | C | S | . | . | trans | -74.1 | 151.4 | -174.1 | 30.7 | -36.2 | 0 | 0 | 0 | 112.9 | V46 V55 R58 M67 | V46-P69 HydrophobicContact CG2-CG 3.65Å; V55-P69 HydrophobicContact CG2-CG 4.2Å; R58-P69 PolarHBondContact N-O 2.92Å; M67-P69 WeakPolarHBondContact O-CD 3.47Å | ||
| 70 | C | 93.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 159.2 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | R58 C64 R72 L76 C78 C91 | R58-C70 CarbonylContact O-C 3.57Å; R58-C70 WeakPolarHBondContact O-CA 3.36Å; C64-C70 VanDerWaalsContact SG-SG 3.63Å; C70-R72 PolarHBondContact O-N 3.33Å; C70-L76 HydrophobicContact CB-CB 3.88Å; C70-C78 PolarHBondContact SG-N 2.91Å; C70-C91 VanDerWaalsContact CA-SG 3.57Å; C70-C91 HydrophobicContact CB-CB 3.88Å; C70-C91 WeakPolarHBondContact CB-SG 3.39Å; C70-C91 WeakPolarHBondContact SG-CA 3.49Å; C70-C91 WeakPolarHBondContact SG-CB 3.03Å; C70-C91 CovalentContact SG-SG 2.03Å; C70-C91 PolarHBondContact SG-SG 2.89Å |
| 71 | D | 94 | Very high | 89.2 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | trans | -73.7 | 92.1 | 177.7 | -170.3 | -8.3 | 0 | 0 | 0 | 112.7 | P44 A57 R58 Q59 Q73 K74 L76 | P44-D71 WeakPolarHBondContact CD-OD2 2.99Å; P44-D71 WeakPolarHBondContact CG-OD1 3.05Å; A57-D71 HydrophobicContact CB-CB 3.7Å; R58-D71 PolarHBondContact O-N 3.44Å; Q59-D71 PolarHBondContact NE2-OD2 3.01Å; D71-Q73 PolarHBondContact O-N 2.87Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.39Å; D71-Q73 PolarHBondContact OD1-N 3.22Å; D71-K74 PolarHBondContact O-N 3.41Å; D71-K74 VanDerWaalsContact O-N 3.15Å; D71-K74 WeakPolarHBondContact OD2-CD 3.42Å; D71-K74 WeakPolarHBondContact OD2-CE 3.26Å; D71-K74 IonicContact OD2-NZ 3.84Å; D71-L76 HydrophobicContact CB-CD1 4.25Å; D71-L76 WeakPolarHBondContact O-CB 3.46Å; D71-L76 PolarHBondContact O-N 2.92Å; D71-L76 VanDerWaalsContact O-N 3.16Å | ||
| 72 | R | 89 | Confident | 88.6 | Confident | 185 Ų | 185 | 65.4 Ų | 65.4 | 70% | 0.698 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -65.2 | -22.1 | 177.2 | -74.3 | -167 | 158.2 | 141.2 | -0.7 | 114.3 | C70 K74 G75 | C70-R72 PolarHBondContact O-N 3.33Å; R72-K74 PolarHBondContact O-N 3.33Å; R72-G75 PolarHBondContact O-N 3.21Å; R72-G75 VanDerWaalsContact O-N 3.07Å |
| 73 | Q | 89.4 | Confident | 87.9 | Confident | 167 Ų | 167 | 63.4 Ų | 63.4 | 78% | 0.78 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -68.1 | -23.4 | 176.4 | -63.6 | -174 | -10.9 | 0 | 0 | 111.4 | D71 | D71-Q73 PolarHBondContact O-N 2.87Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.39Å; D71-Q73 PolarHBondContact OD1-N 3.22Å |
| 74 | K | 89.9 | Confident | 87.3 | Confident | 105 Ų | 105 | 68.6 Ų | 68.6 | 46% | 0.457 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -96.1 | 8.6 | 173.4 | -63.1 | -177.3 | -172.2 | 171.4 | 0 | 113.3 | G42 D71 R72 L76 | G42-K74 WeakPolarHBondContact O-CE 3.25Å; G42-K74 PolarHBondContact O-NZ 3.03Å; D71-K74 PolarHBondContact O-N 3.41Å; D71-K74 VanDerWaalsContact O-N 3.15Å; D71-K74 WeakPolarHBondContact OD2-CD 3.42Å; D71-K74 WeakPolarHBondContact OD2-CE 3.26Å; D71-K74 IonicContact OD2-NZ 3.84Å; R72-K74 PolarHBondContact O-N 3.33Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 HydrophobicContact CB-CD1 4.45Å; K74-L76 HydrophobicContact CB-CG 4.23Å |
| 75 | G | 88.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 27 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R72 D94 | R72-G75 PolarHBondContact O-N 3.21Å; R72-G75 VanDerWaalsContact O-N 3.07Å; G75-D94 PolarHBondContact O-N 3.47Å |
| 76 | L | 91.4 | Very high | 86 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.8 | 178.2 | -58.7 | 176.8 | 0 | 0 | 0 | 111.8 | R60 C70 D71 K74 V92 | R60-L76 HydrophobicContact CB-CD1 4.18Å; R60-L76 HydrophobicContact CB-CD2 3.97Å; R60-L76 HydrophobicContact CG-CD2 4.29Å; R60-L76 VanDerWaalsContact N-CD1 3.27Å; C70-L76 HydrophobicContact CB-CB 3.88Å; D71-L76 HydrophobicContact CB-CD1 4.25Å; D71-L76 WeakPolarHBondContact O-CB 3.46Å; D71-L76 PolarHBondContact O-N 2.92Å; D71-L76 VanDerWaalsContact O-N 3.16Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 HydrophobicContact CB-CD1 4.45Å; K74-L76 HydrophobicContact CB-CG 4.23Å; L76-V92 CarbonylContact C-O 3.55Å; L76-V92 VanDerWaalsContact CA-O 3.27Å; L76-V92 WeakPolarHBondContact CA-O 3.31Å |
| 77 | Q | 90.6 | Very high | 86.1 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.2 | 174.8 | 180 | 149.9 | -28.6 | 0 | 0 | 111.5 | D79 V92 D94 L97 | Q77-D79 PolarHBondContact O-N 3.15Å; Q77-V92 PolarHBondContact N-O 3.27Å; Q77-V92 WeakPolarHBondContact O-CG2 3.43Å; Q77-V92 PolarHBondContact O-N 3.47Å; Q77-D94 VanDerWaalsContact CB-OD1 3.3Å; Q77-D94 WeakPolarHBondContact CB-OD1 3.35Å; Q77-L97 HydrophobicContact CB-CD1 3.54Å; Q77-L97 HydrophobicContact CG-CD1 3.84Å |
| 78 | C | 90.3 | Very high | 86.3 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.5 | -173.5 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | C64 C70 F80 | C64-C78 VanDerWaalsContact C-SG 3.58Å; C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.37Å; C64-C78 WeakPolarHBondContact SG-CA 3.17Å; C64-C78 WeakPolarHBondContact SG-CB 3.5Å; C64-C78 CovalentContact SG-SG 2.02Å; C64-C78 PolarHBondContact SG-SG 2.03Å; C70-C78 PolarHBondContact SG-N 2.91Å; C78-F80 HydrophobicContact CB-CE2 3.96Å; C78-F80 HydrophobicContact CB-CZ 4.31Å; C78-F80 WeakPolarHBondContact SG-CE2 3.48Å; C78-F80 WeakPolarHBondContact SG-CZ 2.99Å |
| 79 | D | 88.6 | Confident | 86.4 | Confident | 35 Ų | 35 | 69.8 Ų | 69.8 | 19% | 0.187 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.2 | 173 | -170 | 17.4 | 0 | 0 | 0 | 111.2 | Q77 S81 G89 E90 V92 L97 | Q77-D79 PolarHBondContact O-N 3.15Å; D79-S81 WeakPolarHBondContact OD1-CB 3Å; D79-S81 PolarHBondContact OD1-N 3.01Å; D79-S81 PolarHBondContact OD1-OG 2.6Å; D79-G89 CarbonylContact O-C 3.54Å; D79-G89 WeakPolarHBondContact O-CA 3.3Å; D79-E90 PolarHBondContact N-O 2.98Å; D79-E90 PolarHBondContact O-N 3.45Å; D79-V92 HydrophobicContact CB-CG1 4.34Å; D79-V92 HydrophobicContact CB-CG2 3.73Å; D79-L97 HydrophobicContact CB-CD2 3.8Å |
| 80 | F | 85.4 | Confident | 86.4 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | trans | -106.1 | 5.9 | 175.4 | -62.6 | -87.6 | 0 | 0 | 0 | 112.1 | C78 A82 S83 | C78-F80 HydrophobicContact CB-CE2 3.96Å; C78-F80 HydrophobicContact CB-CZ 4.31Å; C78-F80 WeakPolarHBondContact SG-CE2 3.48Å; C78-F80 WeakPolarHBondContact SG-CZ 2.99Å; F80-A82 VanDerWaalsContact C-N 3.27Å; F80-A82 PolarHBondContact O-N 3.08Å; F80-S83 PolarHBondContact O-N 2.85Å | ||
| 81 | S | 78.2 | Confident | 86.4 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.5 | -170.7 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | D79 | D79-S81 WeakPolarHBondContact OD1-CB 3Å; D79-S81 PolarHBondContact OD1-N 3.01Å; D79-S81 PolarHBondContact OD1-OG 2.6Å |
| 82 | A | 77.3 | Confident | 86.3 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 80% | 0.802 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F80 | F80-A82 VanDerWaalsContact C-N 3.27Å; F80-A82 PolarHBondContact O-N 3.08Å |
| 83 | S | 80.2 | Confident | 86.3 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -97.8 | 144.4 | -173.4 | -53.7 | 0 | 0 | 0 | 0 | 112 | F80 P88 | F80-S83 PolarHBondContact O-N 2.85Å; S83-P88 VanDerWaalsContact CB-O 3.32Å; S83-P88 WeakPolarHBondContact CB-O 3.36Å; S83-P88 PolarHBondContact OG-O 2.93Å |
| 84 | F | 78.9 | Confident | 85.9 | Confident | 182 Ų | 182 | 63 Ų | 63 | 80% | 0.798 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 154 | 169.5 | -60.9 | -79 | 0 | 0 | 0 | 110.7 | G86 G87 | F84-G86 PolarHBondContact O-N 2.86Å; F84-G86 VanDerWaalsContact O-N 3.11Å; F84-G87 PolarHBondContact O-N 2.63Å |
| 85 | P | 78.1 | Confident | 85.4 | Confident | 141 Ų | 141 | 65.8 Ų | 65.8 | 92% | 0.916 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 119.5 | 176.8 | -25.3 | 33.9 | 0 | 0 | 0 | 111.8 | ||
| 86 | G | 76.3 | Confident | 85.1 | Confident | 91 Ų | 91 | 68.9 Ų | 68.9 | 94% | 0.938 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -0 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F84 | F84-G86 PolarHBondContact O-N 2.86Å; F84-G86 VanDerWaalsContact O-N 3.11Å |
| 87 | G | 84.5 | Confident | 84.6 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -80 | 163.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F84 | F84-G87 PolarHBondContact O-N 2.63Š|
| 88 | P | 89.1 | Confident | 84.3 | Confident | 81 Ų | 81 | 67 Ų | 67 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | trans | -67.8 | 143.2 | 174.6 | 29.2 | -33.6 | 0 | 0 | 0 | 111 | P63 C64 S83 | P63-P88 HydrophobicContact CB-CB 4.2Å; C64-P88 CarbonylContact O-C 3.53Å; C64-P88 WeakPolarHBondContact O-CA 3.4Å; S83-P88 VanDerWaalsContact CB-O 3.32Å; S83-P88 WeakPolarHBondContact CB-O 3.36Å; S83-P88 PolarHBondContact OG-O 2.93Å | ||
| 89 | G | 90.6 | Very high | 84.2 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -175.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P63 C64 D79 | P63-G89 CarbonylContact C-O 3.14Å; P63-G89 VanDerWaalsContact CA-O 3.25Å; P63-G89 WeakPolarHBondContact CA-O 3.32Å; C64-G89 PolarHBondContact N-O 3.37Å; C64-G89 PolarHBondContact O-N 3.42Å; D79-G89 CarbonylContact O-C 3.54Å; D79-G89 WeakPolarHBondContact O-CA 3.3Å |
| 90 | E | 92.3 | Very high | 84.1 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.1 | 175.2 | -171.9 | 176.5 | 162.5 | 0 | 0 | 110.5 | G61 C64 D79 V92 | G61-E90 WeakPolarHBondContact CA-OE1 3.01Å; C64-E90 PolarHBondContact SG-N 3.37Å; C64-E90 VanDerWaalsContact SG-N 3.41Å; D79-E90 PolarHBondContact N-O 2.98Å; D79-E90 PolarHBondContact O-N 3.45Å; E90-V92 PolarHBondContact O-N 2.95Å |
| 91 | C | 92.7 | Very high | 84 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 116.7 | 175.3 | -68 | 0 | 0 | 0 | 0 | 111.1 | R58 Q59 R60 G61 E62 C64 C70 | R58-C91 WeakPolarHBondContact CB-SG 3.3Å; Q59-C91 WeakPolarHBondContact O-CB 3.16Å; R60-C91 CarbonylContact C-O 3.58Å; R60-C91 WeakPolarHBondContact CA-O 3.29Å; G61-C91 PolarHBondContact N-O 2.74Å; E62-C91 PolarHBondContact O-N 2.91Å; C64-C91 VanDerWaalsContact CB-SG 3.54Å; C70-C91 VanDerWaalsContact CA-SG 3.57Å; C70-C91 HydrophobicContact CB-CB 3.88Å; C70-C91 WeakPolarHBondContact CB-SG 3.39Å; C70-C91 WeakPolarHBondContact SG-CA 3.49Å; C70-C91 WeakPolarHBondContact SG-CB 3.03Å; C70-C91 CovalentContact SG-SG 2.03Å; C70-C91 PolarHBondContact SG-SG 2.89Å |
| 92 | V | 91.1 | Very high | 84.2 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 163.7 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | L76 Q77 D79 E90 D96 L97 | L76-V92 CarbonylContact C-O 3.55Å; L76-V92 VanDerWaalsContact CA-O 3.27Å; L76-V92 WeakPolarHBondContact CA-O 3.31Å; Q77-V92 PolarHBondContact N-O 3.27Å; Q77-V92 WeakPolarHBondContact O-CG2 3.43Å; Q77-V92 PolarHBondContact O-N 3.47Å; D79-V92 HydrophobicContact CB-CG1 4.34Å; D79-V92 HydrophobicContact CB-CG2 3.73Å; E90-V92 PolarHBondContact O-N 2.95Å; V92-D96 HydrophobicContact CB-CB 4.42Å; V92-L97 HydrophobicContact CG2-CD1 3.76Å; V92-L97 HydrophobicContact CG2-CD2 3.7Å; V92-L97 HydrophobicContact CG2-CG 3.49Å; V92-L97 VanDerWaalsContact CG2-CG 3.49Å |
| 93 | D | 89 | Confident | 84.4 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 145.3 | 175.6 | -65.9 | -74.5 | 0 | 0 | 0 | 110.9 | R60 E95 D96 L97 | R60-D93 WeakPolarHBondContact CD-OD2 3.25Å; R60-D93 IonicContact CZ-OD2 3.8Å; R60-D93 IonicContact NE-OD2 3.47Å; R60-D93 PolarHBondContact NE-OD2 3.48Å; R60-D93 IonicContact NH2-OD2 3.38Å; D93-E95 PolarHBondContact O-N 2.89Å; D93-D96 WeakPolarHBondContact O-CB 3.31Å; D93-D96 PolarHBondContact O-N 3.22Å; D93-L97 PolarHBondContact O-N 2.83Å |
| 94 | D | 81.6 | Confident | 84.7 | Confident | 80 Ų | 80 | 74.2 Ų | 74.2 | 43% | 0.428 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.5 | -30.7 | 176.8 | -88.7 | -7.3 | 0 | 0 | 0 | 112.5 | G75 Q77 D96 L97 S98 | G75-D94 PolarHBondContact O-N 3.47Å; Q77-D94 VanDerWaalsContact CB-OD1 3.3Å; Q77-D94 WeakPolarHBondContact CB-OD1 3.35Å; D94-D96 VanDerWaalsContact C-N 3.33Å; D94-L97 PolarHBondContact O-N 2.94Å; D94-S98 PolarHBondContact O-N 3.34Å; D94-S98 VanDerWaalsContact O-N 3.16Å |
| 95 | E | 79.3 | Confident | 85.1 | Confident | 162 Ų | 162 | 69.2 Ų | 69.2 | 76% | 0.757 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 172.8 | -69.4 | -99.7 | 133.1 | 0 | 0 | 111.5 | D93 L97 S98 | D93-E95 PolarHBondContact O-N 2.89Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.07Å; E95-S98 WeakPolarHBondContact O-CB 3.46Å; E95-S98 PolarHBondContact O-N 3.4Å; E95-S98 PolarHBondContact O-OG 2.81Å |
| 96 | D | 80.8 | Confident | 85.6 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.4 | -24.6 | -179.6 | -68.7 | -28.8 | 0 | 0 | 0 | 111.9 | R60 V92 D93 D94 G125 | R60-D96 IonicContact NH2-OD2 2.71Å; V92-D96 HydrophobicContact CB-CB 4.42Å; D93-D96 WeakPolarHBondContact O-CB 3.31Å; D93-D96 PolarHBondContact O-N 3.22Å; D94-D96 VanDerWaalsContact C-N 3.33Å; D96-G125 WeakPolarHBondContact O-CA 3.04Å |
| 97 | L | 81.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -85.2 | -15.6 | 174.9 | -68 | 166.9 | 0 | 0 | 0 | 113.2 | Q77 D79 V92 D93 D94 E95 N108 G125 | Q77-L97 HydrophobicContact CB-CD1 3.54Å; Q77-L97 HydrophobicContact CG-CD1 3.84Å; D79-L97 HydrophobicContact CB-CD2 3.8Å; V92-L97 HydrophobicContact CG2-CD1 3.76Å; V92-L97 HydrophobicContact CG2-CD2 3.7Å; V92-L97 HydrophobicContact CG2-CG 3.49Å; V92-L97 VanDerWaalsContact CG2-CG 3.49Å; D93-L97 PolarHBondContact O-N 2.83Å; D94-L97 PolarHBondContact O-N 2.94Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.07Å; L97-N108 HydrophobicContact CB-CB 3.94Å; L97-G125 PolarHBondContact O-N 3.42Å |
| 98 | S | 85.3 | Confident | 86.3 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | trans | -79.2 | 144.6 | -178.5 | 79.5 | 0 | 0 | 0 | 0 | 111.6 | D94 E95 Y106 | D94-S98 PolarHBondContact O-N 3.34Å; D94-S98 VanDerWaalsContact O-N 3.16Å; E95-S98 WeakPolarHBondContact O-CB 3.46Å; E95-S98 PolarHBondContact O-N 3.4Å; E95-S98 PolarHBondContact O-OG 2.81Å; S98-Y106 CarbonylContact C-O 3.57Å; S98-Y106 WeakPolarHBondContact CA-O 3.07Å; S98-Y106 WeakPolarHBondContact CB-O 3.4Å | ||
| 99 | C | 86.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.8 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | T105 Y106 C122 G125 G126 V127 | C99-T105 CarbonylContact O-C 3.56Å; C99-Y106 PolarHBondContact N-O 3.31Å; C99-Y106 PolarHBondContact O-N 3.07Å; C99-C122 HydrophobicContact CB-CB 3.71Å; C99-C122 WeakPolarHBondContact CB-SG 2.85Å; C99-C122 PolarHBondContact N-SG 3.24Å; C99-C122 WeakPolarHBondContact SG-CA 3.2Å; C99-C122 WeakPolarHBondContact SG-CB 3.47Å; C99-C122 CovalentContact SG-SG 2.03Å; C99-C122 PolarHBondContact SG-SG 3.45Å; C99-G125 VanDerWaalsContact SG-C 3.52Å; C99-G126 VanDerWaalsContact SG-C 3.56Å; C99-G126 PolarHBondContact SG-O 2.04Å; C99-V127 HydrophobicContact CB-CG2 3.5Å |
| 100 | K | 87.3 | Confident | 86.1 | Confident | 160 Ų | 160 | 68.7 Ų | 68.7 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.8 | 177.1 | -162.3 | 171.7 | -175.1 | 170.8 | 0 | 111.4 | I104 | K100-I104 WeakPolarHBondContact CA-O 3.1Å |
| 101 | V | 83.4 | Confident | 86 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.9 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 110 | G103 I104 Y106 F112 V127 | V101-G103 PolarHBondContact O-N 2.83Å; V101-G103 VanDerWaalsContact O-N 3.17Å; V101-I104 PolarHBondContact N-O 3.35Å; V101-I104 PolarHBondContact O-N 2.98Å; V101-Y106 HydrophobicContact CB-CD2 4.33Å; V101-Y106 HydrophobicContact CB-CE2 3.9Å; V101-Y106 HydrophobicContact CG2-CD2 4.41Å; V101-Y106 HydrophobicContact CG2-CE2 4.42Å; V101-F112 HydrophobicContact CB-CE2 4.31Å; V101-F112 HydrophobicContact CB-CZ 4.34Å; V101-F112 HydrophobicContact CG1-CE2 4.35Å; V101-F112 HydrophobicContact CG2-CE2 4.21Å; V101-F112 HydrophobicContact CG2-CZ 3.79Å; V101-V127 HydrophobicContact CG2-CB 4.5Å; V101-V127 HydrophobicContact CG2-CG1 4.45Å; V101-V127 HydrophobicContact CG2-CG2 3.55Å |
| 102 | N | 81.2 | Confident | 86 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 33.5 | -178.4 | -62.4 | -27.1 | 0 | 0 | 0 | 114.1 | I104 | N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 2.69Å |
| 103 | G | 82.4 | Confident | 85.9 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 62% | 0.619 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -2.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V101 | V101-G103 PolarHBondContact O-N 2.83Å; V101-G103 VanDerWaalsContact O-N 3.17Å |
| 104 | I | 86.1 | Confident | 85.7 | Confident | 95 Ų | 95 | 72 Ų | 72 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.7 | 174.8 | -55.6 | 173.9 | 0 | 0 | 0 | 108.8 | K100 V101 N102 Y106 | K100-I104 WeakPolarHBondContact CA-O 3.1Å; V101-I104 PolarHBondContact N-O 3.35Å; V101-I104 PolarHBondContact O-N 2.98Å; N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 2.69Å; I104-Y106 HydrophobicContact CB-CE2 3.82Å; I104-Y106 HydrophobicContact CG2-CD2 4.38Å; I104-Y106 HydrophobicContact CG2-CE1 4.15Å; I104-Y106 HydrophobicContact CG2-CE2 3.75Å; I104-Y106 WeakPolarHBondContact O-CD2 3.27Å |
| 105 | T | 88.3 | Confident | 85.9 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.9 | 176 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | C99 | C99-T105 CarbonylContact O-C 3.56Å |
| 106 | Y | 88.1 | Confident | 86.2 | Confident | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.3 | 177.5 | -62.2 | -86.7 | 0 | 0 | 0 | 109.5 | S98 C99 V101 I104 Q110 F112 | S98-Y106 CarbonylContact C-O 3.57Å; S98-Y106 WeakPolarHBondContact CA-O 3.07Å; S98-Y106 WeakPolarHBondContact CB-O 3.4Å; C99-Y106 PolarHBondContact N-O 3.31Å; C99-Y106 PolarHBondContact O-N 3.07Å; V101-Y106 HydrophobicContact CB-CD2 4.33Å; V101-Y106 HydrophobicContact CB-CE2 3.9Å; V101-Y106 HydrophobicContact CG2-CD2 4.41Å; V101-Y106 HydrophobicContact CG2-CE2 4.42Å; I104-Y106 HydrophobicContact CB-CE2 3.82Å; I104-Y106 HydrophobicContact CG2-CD2 4.38Å; I104-Y106 HydrophobicContact CG2-CE1 4.15Å; I104-Y106 HydrophobicContact CG2-CE2 3.75Å; I104-Y106 WeakPolarHBondContact O-CD2 3.27Å; Y106-Q110 VanDerWaalsContact CA-OE1 3.24Å; Y106-Q110 HydrophobicContact CD1-CG 4.32Å; Y106-F112 HydrophobicContact CD1-CB 3.84Å; Y106-F112 AromaticContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD2 4.4Å; Y106-F112 HydrophobicContact CD1-CE1 4Å; Y106-F112 AromaticContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD2-CD1 4.11Å; Y106-F112 AromaticContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE2 4.42Å; Y106-F112 HydrophobicContact CD2-CG 4.47Å; Y106-F112 HydrophobicContact CD2-CZ 4.07Å; Y106-F112 HydrophobicContact CE1-CB 3.33Å; Y106-F112 AromaticContact CE1-CD1 3.61Å; Y106-F112 HydrophobicContact CE1-CD1 3.61Å; Y106-F112 AromaticContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CE1 4.34Å; Y106-F112 HydrophobicContact CE1-CE2 4.5Å; Y106-F112 AromaticContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE2-CD1 4.31Å; Y106-F112 HydrophobicContact CE2-CD2 4.05Å; Y106-F112 HydrophobicContact CE2-CE1 4.26Å; Y106-F112 AromaticContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CG 4.22Å; Y106-F112 HydrophobicContact CE2-CZ 4.1Å; Y106-F112 AromaticContact CG-CD1 3.65Å; Y106-F112 HydrophobicContact CG-CD1 3.65Å; Y106-F112 AromaticContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CG 4.2Å; Y106-F112 HydrophobicContact CG-CZ 4.38Å; Y106-F112 AromaticContact CZ-CD2 3.58Å; Y106-F112 AromaticContact CZ-CG 3.61Å |
| 107 | L | 88.6 | Confident | 86.4 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | trans | -71.5 | 153.8 | 178.3 | -62.4 | 174.7 | 0 | 0 | 0 | 110.9 | G109 Q110 C122 | L107-G109 PolarHBondContact O-N 2.84Å; L107-Q110 HydrophobicContact CB-CB 4.46Å; L107-Q110 WeakPolarHBondContact O-CB 3.32Å; L107-Q110 PolarHBondContact O-N 3.11Å; L107-C122 WeakPolarHBondContact O-CB 3.32Å | ||
| 108 | N | 86.1 | Confident | 86.7 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 128.8 | 173.1 | -171 | 32.8 | 0 | 0 | 0 | 110.4 | L97 R123 G124 | L97-N108 HydrophobicContact CB-CB 3.94Å; N108-R123 VanDerWaalsContact OD1-CA 3.3Å; N108-R123 WeakPolarHBondContact OD1-CA 3.46Å; N108-G124 PolarHBondContact OD1-N 3.23Å |
| 109 | G | 85.3 | Confident | 87.1 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -9.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L107 H121 C122 | L107-G109 PolarHBondContact O-N 2.84Å; G109-H121 WeakPolarHBondContact CA-CE1 3.16Å; G109-H121 PolarHBondContact O-NE2 2.95Å; G109-C122 PolarHBondContact N-O 3.02Å |
| 110 | Q | 89.7 | Confident | 87.3 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | trans | -80.8 | 130.5 | -177.3 | -166.8 | 174 | 7.7 | 0 | 0 | 111.3 | Y106 L107 C122 | Y106-Q110 VanDerWaalsContact CA-OE1 3.24Å; Y106-Q110 HydrophobicContact CD1-CG 4.32Å; L107-Q110 HydrophobicContact CB-CB 4.46Å; L107-Q110 WeakPolarHBondContact O-CB 3.32Å; L107-Q110 PolarHBondContact O-N 3.11Å; Q110-C122 PolarHBondContact O-N 3.12Å | ||
| 111 | S | 91.8 | Very high | 87.6 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143.5 | 168.9 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | C120 H121 | S111-C120 CarbonylContact C-O 3.6Å; S111-C120 VanDerWaalsContact CA-O 3.26Å; S111-C120 WeakPolarHBondContact CA-O 3.45Å; S111-H121 PolarHBondContact OG-CD2 3.41Å; S111-H121 VanDerWaalsContact OG-CD2 3.24Å |
| 112 | F | 91.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 158.2 | 177.9 | 62.2 | -83.8 | 0 | 0 | 0 | 111.2 | V101 Y106 P114 C120 V127 | V101-F112 HydrophobicContact CB-CE2 4.31Å; V101-F112 HydrophobicContact CB-CZ 4.34Å; V101-F112 HydrophobicContact CG1-CE2 4.35Å; V101-F112 HydrophobicContact CG2-CE2 4.21Å; V101-F112 HydrophobicContact CG2-CZ 3.79Å; Y106-F112 HydrophobicContact CD1-CB 3.84Å; Y106-F112 AromaticContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD1 3.39Å; Y106-F112 HydrophobicContact CD1-CD2 4.4Å; Y106-F112 HydrophobicContact CD1-CE1 4Å; Y106-F112 AromaticContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD1-CG 3.63Å; Y106-F112 HydrophobicContact CD2-CD1 4.11Å; Y106-F112 AromaticContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE1 3.9Å; Y106-F112 HydrophobicContact CD2-CE2 4.42Å; Y106-F112 HydrophobicContact CD2-CG 4.47Å; Y106-F112 HydrophobicContact CD2-CZ 4.07Å; Y106-F112 HydrophobicContact CE1-CB 3.33Å; Y106-F112 AromaticContact CE1-CD1 3.61Å; Y106-F112 HydrophobicContact CE1-CD1 3.61Å; Y106-F112 AromaticContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CD2 3.8Å; Y106-F112 HydrophobicContact CE1-CE1 4.34Å; Y106-F112 HydrophobicContact CE1-CE2 4.5Å; Y106-F112 AromaticContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE1-CG 3.29Å; Y106-F112 HydrophobicContact CE2-CD1 4.31Å; Y106-F112 HydrophobicContact CE2-CD2 4.05Å; Y106-F112 HydrophobicContact CE2-CE1 4.26Å; Y106-F112 AromaticContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CE2 4Å; Y106-F112 HydrophobicContact CE2-CG 4.22Å; Y106-F112 HydrophobicContact CE2-CZ 4.1Å; Y106-F112 AromaticContact CG-CD1 3.65Å; Y106-F112 HydrophobicContact CG-CD1 3.65Å; Y106-F112 AromaticContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CE1 3.76Å; Y106-F112 HydrophobicContact CG-CG 4.2Å; Y106-F112 HydrophobicContact CG-CZ 4.38Å; Y106-F112 AromaticContact CZ-CD2 3.58Å; Y106-F112 AromaticContact CZ-CG 3.61Å; F112-P114 HydrophobicContact CD2-CB 4.21Å; F112-P114 HydrophobicContact CD2-CG 4.14Å; F112-P114 HydrophobicContact CE2-CB 4.17Å; F112-P114 HydrophobicContact CE2-CG 3.97Å; F112-P114 WeakPolarHBondContact O-CD 3.22Å; F112-C120 HydrophobicContact CD1-CB 4.38Å; F112-C120 HydrophobicContact CD2-CB 4.19Å; F112-C120 HydrophobicContact CE1-CB 3.95Å; F112-C120 HydrophobicContact CE2-CB 3.73Å; F112-C120 HydrophobicContact CG-CB 4.49Å; F112-C120 HydrophobicContact CZ-CB 3.59Å; F112-C120 PolarHBondContact N-O 2.9Å; F112-C120 PolarHBondContact O-N 2.84Å; F112-V127 HydrophobicContact CE1-CG1 4.32Å; F112-V127 HydrophobicContact CZ-CG1 3.7Å; F112-V127 HydrophobicContact CZ-CG2 4.33Å |
| 113 | Q | 89.5 | Confident | 88.2 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 90.7 | -177.7 | 178.8 | 161.7 | -0.5 | 0 | 0 | 108.9 | S115 C116 S118 | Q113-S115 VanDerWaalsContact C-N 3.28Å; Q113-S115 WeakPolarHBondContact CG-O 3.48Å; Q113-S115 PolarHBondContact NE2-O 3.34Å; Q113-S115 PolarHBondContact O-N 3.5Å; Q113-C116 PolarHBondContact NE2-O 2.91Å; Q113-S118 WeakPolarHBondContact CG-O 3.49Å |
| 114 | P | 85.5 | Confident | 88 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | -21.5 | -174.3 | 27.8 | -31.2 | 0 | 0 | 0 | 112.9 | F112 S118 C120 | F112-P114 HydrophobicContact CD2-CB 4.21Å; F112-P114 HydrophobicContact CD2-CG 4.14Å; F112-P114 HydrophobicContact CE2-CB 4.17Å; F112-P114 HydrophobicContact CE2-CG 3.97Å; F112-P114 WeakPolarHBondContact O-CD 3.22Å; P114-S118 WeakPolarHBondContact CG-OG 3.34Å; P114-C120 VanDerWaalsContact CG-SG 3.51Å |
| 115 | S | 84.2 | Confident | 87.8 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 163.6 | 169.2 | 65 | 0 | 0 | 0 | 0 | 109.5 | Q113 D117 S118 | Q113-S115 VanDerWaalsContact C-N 3.28Å; Q113-S115 WeakPolarHBondContact CG-O 3.48Å; Q113-S115 PolarHBondContact NE2-O 3.34Å; Q113-S115 PolarHBondContact O-N 3.5Å; S115-D117 VanDerWaalsContact CB-OD1 3.31Å; S115-D117 WeakPolarHBondContact CB-OD1 3.37Å; S115-D117 PolarHBondContact O-N 3.33Å; S115-D117 PolarHBondContact OG-OD1 3.46Å; S115-S118 PolarHBondContact N-OG 3.41Å; S115-S118 PolarHBondContact O-N 2.86Å; S115-S118 VanDerWaalsContact O-O 3.08Å; S115-S118 PolarHBondContact OG-OG 2.83Å |
| 116 | C | 85.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 35% | 0.345 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.8 | -177.6 | 76.9 | 0 | 0 | 0 | 0 | 112.8 | Q113 R151 C156 | Q113-C116 PolarHBondContact NE2-O 2.91Å; C116-R151 PolarHBondContact SG-NH2 3Å; C116-C156 WeakPolarHBondContact CA-SG 3.47Å; C116-C156 HydrophobicContact CB-CB 3.73Å; C116-C156 WeakPolarHBondContact CB-SG 3.4Å; C116-C156 PolarHBondContact O-SG 3.39Å; C116-C156 WeakPolarHBondContact SG-CA 2.99Å; C116-C156 WeakPolarHBondContact SG-CB 3.19Å; C116-C156 CovalentContact SG-SG 2.02Å; C116-C156 PolarHBondContact SG-SG 3.21Å |
| 117 | D | 86.6 | Confident | 87.7 | Confident | 54 Ų | 54 | 57 Ų | 57 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 1.1 | -175.5 | 57.2 | -15.7 | 0 | 0 | 0 | 114 | S115 A132 R151 C156 | S115-D117 VanDerWaalsContact CB-OD1 3.31Å; S115-D117 WeakPolarHBondContact CB-OD1 3.37Å; S115-D117 PolarHBondContact O-N 3.33Å; S115-D117 PolarHBondContact OG-OD1 3.46Å; D117-A132 PolarHBondContact O-N 3.49Å; D117-R151 IonicContact OD2-NH1 3.14Å; D117-R151 PolarHBondContact OD2-NH1 3.25Å; D117-C156 PolarHBondContact N-SG 3.07Å |
| 118 | S | 88.4 | Confident | 87.7 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.7 | -179.5 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | Q113 P114 S115 | Q113-S118 WeakPolarHBondContact CG-O 3.49Å; P114-S118 WeakPolarHBondContact CG-OG 3.34Å; S115-S118 PolarHBondContact N-OG 3.41Å; S115-S118 PolarHBondContact O-N 2.86Å; S115-S118 VanDerWaalsContact O-O 3.08Å; S115-S118 PolarHBondContact OG-OG 2.83Å |
| 119 | F | 92.4 | Very high | 87.9 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 39% | 0.386 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.3 | 173 | -177.8 | -96.8 | 0 | 0 | 0 | 108.5 | C129 V130 A132 | F119-C129 CarbonylContact O-C 3.58Å; F119-C129 WeakPolarHBondContact O-CA 3.31Å; F119-V130 HydrophobicContact CB-CG2 4.19Å; F119-V130 HydrophobicContact CD1-CG2 4.2Å; F119-V130 PolarHBondContact N-O 3.32Å; F119-V130 WeakPolarHBondContact O-CG2 3.37Å; F119-V130 PolarHBondContact O-N 2.79Å; F119-A132 HydrophobicContact CB-CB 4.41Å |
| 120 | C | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.2 | -172 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | S111 F112 P114 V127 T128 C129 | S111-C120 CarbonylContact C-O 3.6Å; S111-C120 VanDerWaalsContact CA-O 3.26Å; S111-C120 WeakPolarHBondContact CA-O 3.45Å; F112-C120 HydrophobicContact CD1-CB 4.38Å; F112-C120 HydrophobicContact CD2-CB 4.19Å; F112-C120 HydrophobicContact CE1-CB 3.95Å; F112-C120 HydrophobicContact CE2-CB 3.73Å; F112-C120 HydrophobicContact CG-CB 4.49Å; F112-C120 HydrophobicContact CZ-CB 3.59Å; F112-C120 PolarHBondContact N-O 2.9Å; F112-C120 PolarHBondContact O-N 2.84Å; P114-C120 VanDerWaalsContact CG-SG 3.51Å; C120-V127 HydrophobicContact CB-CG1 3.81Å; C120-T128 CarbonylContact C-O 3.42Å; C120-T128 VanDerWaalsContact CA-O 3.27Å; C120-T128 WeakPolarHBondContact CA-O 2.95Å; C120-C129 HydrophobicContact CB-CB 4.09Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 WeakPolarHBondContact SG-CB 3.28Å; C120-C129 CovalentContact SG-SG 2.04Å; C120-C129 PolarHBondContact SG-SG 2.67Å |
| 121 | H | 93.3 | Very high | 88 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.2 | 174.6 | -175.2 | -65.7 | 0 | 0 | 0 | 109.4 | G109 S111 T128 | G109-H121 WeakPolarHBondContact CA-CE1 3.16Å; G109-H121 PolarHBondContact O-NE2 2.95Å; S111-H121 PolarHBondContact OG-CD2 3.41Å; S111-H121 VanDerWaalsContact OG-CD2 3.24Å; H121-T128 PolarHBondContact N-O 2.94Å; H121-T128 PolarHBondContact O-N 2.02Å |
| 122 | C | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.7 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | C99 L107 G109 Q110 | C99-C122 HydrophobicContact CB-CB 3.71Å; C99-C122 WeakPolarHBondContact CB-SG 2.85Å; C99-C122 PolarHBondContact N-SG 3.24Å; C99-C122 WeakPolarHBondContact SG-CA 3.2Å; C99-C122 WeakPolarHBondContact SG-CB 3.47Å; C99-C122 CovalentContact SG-SG 2.03Å; C99-C122 PolarHBondContact SG-SG 3.45Å; L107-C122 WeakPolarHBondContact O-CB 3.32Å; G109-C122 PolarHBondContact N-O 3.02Å; Q110-C122 PolarHBondContact O-N 3.12Å |
| 123 | R | 86.8 | Confident | 87.5 | Confident | 174 Ų | 174 | 58.2 Ų | 58.2 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 117.9 | 176.5 | -169 | 177.1 | -177.9 | -179.5 | 0.3 | 110.4 | N108 G125 G126 | N108-R123 VanDerWaalsContact OD1-CA 3.3Å; N108-R123 WeakPolarHBondContact OD1-CA 3.46Å; R123-G125 PolarHBondContact O-N 2.54Å; R123-G126 PolarHBondContact N-O 3.21Å; R123-G126 PolarHBondContact O-N 3.07Å; R123-G126 VanDerWaalsContact O-N 3.08Å |
| 124 | G | 79.1 | Confident | 87 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N108 G126 | N108-G124 PolarHBondContact OD1-N 3.23Å; G124-G126 PolarHBondContact O-N 2.87Å |
| 125 | G | 81.9 | Confident | 86.1 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -13.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | D96 L97 C99 R123 | D96-G125 WeakPolarHBondContact O-CA 3.04Å; L97-G125 PolarHBondContact O-N 3.42Å; C99-G125 VanDerWaalsContact SG-C 3.52Å; R123-G125 PolarHBondContact O-N 2.54Å |
| 126 | G | 83.3 | Confident | 85.2 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 147.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C99 R123 G124 | C99-G126 VanDerWaalsContact SG-C 3.56Å; C99-G126 PolarHBondContact SG-O 2.04Å; R123-G126 PolarHBondContact N-O 3.21Å; R123-G126 PolarHBondContact O-N 3.07Å; R123-G126 VanDerWaalsContact O-N 3.08Å; G124-G126 PolarHBondContact O-N 2.87Å |
| 127 | V | 89.7 | Confident | 84.1 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 35% | 0.345 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.7 | 177 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | C99 V101 F112 C120 | C99-V127 HydrophobicContact CB-CG2 3.5Å; V101-V127 HydrophobicContact CG2-CB 4.5Å; V101-V127 HydrophobicContact CG2-CG1 4.45Å; V101-V127 HydrophobicContact CG2-CG2 3.55Å; F112-V127 HydrophobicContact CE1-CG1 4.32Å; F112-V127 HydrophobicContact CZ-CG1 3.7Å; F112-V127 HydrophobicContact CZ-CG2 4.33Å; C120-V127 HydrophobicContact CB-CG1 3.81Å |
| 128 | T | 89.2 | Confident | 82.8 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 58% | 0.577 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.3 | 172.3 | -54.2 | 0 | 0 | 0 | 0 | 109.4 | C120 H121 | C120-T128 CarbonylContact C-O 3.42Å; C120-T128 VanDerWaalsContact CA-O 3.27Å; C120-T128 WeakPolarHBondContact CA-O 2.95Å; H121-T128 PolarHBondContact N-O 2.94Å; H121-T128 PolarHBondContact O-N 2.02Å |
| 129 | C | 89.5 | Confident | 81.2 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 47% | 0.473 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138 | 179.6 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | F119 C120 | F119-C129 CarbonylContact O-C 3.58Å; F119-C129 WeakPolarHBondContact O-CA 3.31Å; C120-C129 HydrophobicContact CB-CB 4.09Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 WeakPolarHBondContact SG-CB 3.28Å; C120-C129 CovalentContact SG-SG 2.04Å; C120-C129 PolarHBondContact SG-SG 2.67Å |
| 130 | V | 90.6 | Very high | 79.5 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152.7 | 170.7 | -63.9 | 0 | 0 | 0 | 0 | 109.9 | F119 A132 | F119-V130 HydrophobicContact CB-CG2 4.19Å; F119-V130 HydrophobicContact CD1-CG2 4.2Å; F119-V130 PolarHBondContact N-O 3.32Å; F119-V130 WeakPolarHBondContact O-CG2 3.37Å; F119-V130 PolarHBondContact O-N 2.79Å; V130-A132 PolarHBondContact O-N 3.38Å |
| 131 | S | 87.3 | Confident | 77.8 | Confident | 74 Ų | 74 | 77 Ų | 77 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.4 | 173.1 | 172 | 0 | 0 | 0 | 0 | 109.3 | C133 | S131-C133 PolarHBondContact O-N 2.97Å; S131-C133 PolarHBondContact OG-N 3.47Å; S131-C133 VanDerWaalsContact OG-N 3.13Å; S131-C133 PolarHBondContact OG-O 3.09Å |
| 132 | A | 86.6 | Confident | 75.8 | Confident | 52 Ų | 52 | 79.7 Ų | 79.7 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -75.2 | -13.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D117 F119 V130 | D117-A132 PolarHBondContact O-N 3.49Å; F119-A132 HydrophobicContact CB-CB 4.41Å; V130-A132 PolarHBondContact O-N 3.38Å |
| 133 | C | 85.5 | Confident | 74.1 | Confident | 20 Ų | 20 | 86.4 Ų | 86.4 | 14% | 0.135 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -87.1 | 142.8 | 177.3 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | S131 L135 C157 | S131-C133 PolarHBondContact O-N 2.97Å; S131-C133 PolarHBondContact OG-N 3.47Å; S131-C133 VanDerWaalsContact OG-N 3.13Å; S131-C133 PolarHBondContact OG-O 3.09Å; C133-L135 PolarHBondContact O-N 3.05Å; C133-C157 WeakPolarHBondContact CA-SG 3.44Å; C133-C157 HydrophobicContact CB-CB 3.71Å; C133-C157 WeakPolarHBondContact CB-SG 3.08Å; C133-C157 WeakPolarHBondContact SG-CA 3.43Å; C133-C157 WeakPolarHBondContact SG-CB 2.96Å; C133-C157 CovalentContact SG-SG 2.04Å; C133-C157 PolarHBondContact SG-SG 3.31Å |
| 134 | P | 79.4 | Confident | 72.7 | Confident | 90 Ų | 90 | 78.2 Ų | 78.2 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | trans | -64.2 | 130.8 | 177.7 | 26.1 | -33 | 0 | 0 | 0 | 110.7 | T136 | P134-T136 VanDerWaalsContact C-N 3.29Å; P134-T136 PolarHBondContact O-N 2.72Å; P134-T136 PolarHBondContact O-OG1 2.71Å | ||
| 135 | L | 66.3 | Low | 71.9 | Confident | 177 Ų | 177 | 82.4 Ų | 82.4 | 93% | 0.927 | 51% | 0.511 | S | S | * | . | trans | -70.3 | 86.9 | 170.2 | -75.9 | 154.6 | 0 | 0 | 0 | 108.7 | C133 | C133-L135 PolarHBondContact O-N 3.05Š| ||
| 136 | T | 65.1 | Low | 70.8 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | trans | -102.1 | 116.2 | 177.7 | 25.5 | 0 | 0 | 0 | 0 | 109.3 | P134 W160 | P134-T136 VanDerWaalsContact C-N 3.29Å; P134-T136 PolarHBondContact O-N 2.72Å; P134-T136 PolarHBondContact O-OG1 2.71Å; T136-W160 PolarHBondContact O-NE1 3.47Å | ||
| 137 | S | 62.4 | Low | 70.1 | Confident | 111 Ų | 111 | 84.1 Ų | 84.1 | 78% | 0.776 | 51% | 0.512 | S | S | * | . | trans | -96.1 | 132.1 | 165.7 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 138 | R | 60.3 | Low | 69.3 | Low | 97 Ų | 97 | 85.8 Ų | 85.8 | 37% | 0.366 | 52% | 0.516 | S | S | . | . | trans | -119.4 | 121.5 | 173.9 | -170.6 | 176.5 | 179.6 | -179.4 | -4.2 | 109.1 | W160 C162 | R138-W160 HydrophobicContact CB-CB 4.31Å; R138-W160 HydrophobicContact CB-CD2 3.53Å; R138-W160 HydrophobicContact CB-CE3 4.17Å; R138-W160 HydrophobicContact CB-CG 3.6Å; R138-W160 HydrophobicContact CB-CZ2 4.16Å; R138-W160 HydrophobicContact CG-CG 4.43Å; R138-C162 PolarHBondContact NH1-SG 3.38Å; R138-C162 PolarHBondContact NH2-SG 3.24Å | ||
| 139 | L | 53.9 | Low | 68.7 | Low | 137 Ų | 137 | 85 Ų | 85 | 72% | 0.717 | 51% | 0.505 | S | S | * | . | trans | -76 | 150.2 | 170.8 | -74.8 | 103.4 | 0 | 0 | 0 | 110.5 | T141 | L139-T141 PolarHBondContact O-N 3.18Š| ||
| 140 | P | 57.9 | Low | 67.9 | Low | 91 Ų | 91 | 85 Ų | 85 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | trans | -54.3 | 131.6 | 169.5 | -22.7 | 33.3 | 0 | 0 | 0 | 110.2 | ||||
| 141 | T | 54.8 | Low | 66.9 | Low | 56 Ų | 56 | 86.9 Ų | 86.9 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -121.1 | 158.7 | 177.3 | 36.1 | 0 | 0 | 0 | 0 | 108.6 | L139 D143 C144 | L139-T141 PolarHBondContact O-N 3.18Å; T141-D143 PolarHBondContact O-N 2.99Å; T141-C144 PolarHBondContact N-O 3.31Å; T141-C144 VanDerWaalsContact N-O 3.07Å; T141-C144 CarbonylContact O-C 3.53Å; T141-C144 WeakPolarHBondContact O-CA 3.05Å; T141-C144 PolarHBondContact O-N 3.45Å |
| 142 | P | 52.4 | Low | 65.9 | Low | 126 Ų | 126 | 85.9 Ų | 85.9 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.3 | 178.5 | -26.1 | 34.7 | 0 | 0 | 0 | 113.2 | C144 | P142-C144 VanDerWaalsContact C-N 3.28Å; P142-C144 PolarHBondContact O-N 2.04Å |
| 143 | D | 53.9 | Low | 64.8 | Low | 141 Ų | 141 | 89.5 Ų | 89.5 | 75% | 0.754 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.7 | 177.4 | -51.7 | -49.3 | 0 | 0 | 0 | 113.5 | T141 | T141-D143 PolarHBondContact O-N 2.99Š|
| 144 | C | 58.4 | Low | 64.3 | Low | 2 Ų | 2 | 92.9 Ų | 92.9 | 1% | 0.014 | 54% | 0.543 | C | S | . | . | B | Isolated β-bridge | trans | -152.7 | 79.4 | -180 | -178 | 0 | 0 | 0 | 0 | 111.3 | T141 P142 S146 C162 | T141-C144 PolarHBondContact N-O 3.31Å; T141-C144 VanDerWaalsContact N-O 3.07Å; T141-C144 CarbonylContact O-C 3.53Å; T141-C144 WeakPolarHBondContact O-CA 3.05Å; T141-C144 PolarHBondContact O-N 3.45Å; P142-C144 VanDerWaalsContact C-N 3.28Å; P142-C144 PolarHBondContact O-N 2.04Å; C144-S146 VanDerWaalsContact C-N 3.29Å; C144-S146 PolarHBondContact O-N 3Å; C144-C162 HydrophobicContact CB-CB 3.62Å; C144-C162 WeakPolarHBondContact CB-SG 3.4Å; C144-C162 WeakPolarHBondContact SG-CB 3.4Å; C144-C162 CovalentContact SG-SG 1.97Å; C144-C162 PolarHBondContact SG-SG 3.47Å |
| 145 | P | 60.9 | Low | 63.8 | Low | 108 Ų | 108 | 93.4 Ų | 93.4 | 70% | 0.701 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -73.6 | -21.4 | -175.8 | 27.8 | -34.3 | 0 | 0 | 0 | 112.7 | ||
| 146 | S | 58.9 | Low | 64.5 | Low | 80 Ų | 80 | 86.8 Ų | 86.8 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -132.6 | 78.7 | 177.5 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | C144 Q148 | C144-S146 VanDerWaalsContact C-N 3.29Å; C144-S146 PolarHBondContact O-N 3Å; S146-Q148 PolarHBondContact O-N 3.28Å |
| 147 | P | 69.2 | Low | 65.4 | Low | 25 Ų | 25 | 84.9 Ų | 84.9 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128 | 176.5 | 29.5 | -33.5 | 0 | 0 | 0 | 109.9 | W160 | P147-W160 HydrophobicContact CB-CE3 3.58Å; P147-W160 HydrophobicContact CB-CZ3 3.84Å; P147-W160 HydrophobicContact CG-CE3 4.34Å; P147-W160 HydrophobicContact CG-CZ3 4.12Å |
| 148 | Q | 72.1 | Confident | 66.2 | Low | 92 Ų | 92 | 86.6 Ų | 86.6 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.1 | 175 | -62.2 | -170.6 | 15.6 | 0 | 0 | 110.4 | S146 I150 W160 V161 | S146-Q148 PolarHBondContact O-N 3.28Å; Q148-I150 HydrophobicContact CB-CG2 4.22Å; Q148-I150 PolarHBondContact O-N 3.5Å; Q148-W160 WeakPolarHBondContact O-CA 3.29Å; Q148-V161 HydrophobicContact CB-CG2 4.27Å; Q148-V161 PolarHBondContact N-O 3.13Å; Q148-V161 PolarHBondContact O-N 2.9Å |
| 149 | F | 77.2 | Confident | 66.8 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 83.4 | 177.4 | -163.8 | -121.3 | 0 | 0 | 0 | 110.2 | R158 W160 | F149-R158 HydrophobicContact CD1-CB 3.84Å; F149-R158 HydrophobicContact CD1-CG 4.44Å; F149-R158 HydrophobicContact CD2-CB 4.08Å; F149-R158 HydrophobicContact CE1-CB 3.56Å; F149-R158 HydrophobicContact CE1-CG 4.25Å; F149-R158 HydrophobicContact CE2-CB 3.81Å; F149-R158 WeakPolarHBondContact CE2-O 3.07Å; F149-R158 HydrophobicContact CG-CB 4.11Å; F149-R158 HydrophobicContact CZ-CB 3.54Å; F149-W160 HydrophobicContact CB-CD2 4.21Å; F149-W160 HydrophobicContact CB-CE3 3.87Å; F149-W160 HydrophobicContact CB-CH2 4Å; F149-W160 HydrophobicContact CB-CZ2 4.23Å; F149-W160 HydrophobicContact CB-CZ3 3.8Å; F149-W160 AromaticContact CD2-CD1 3.84Å; F149-W160 AromaticContact CD2-CD2 3.66Å; F149-W160 HydrophobicContact CD2-CD2 3.66Å; F149-W160 AromaticContact CD2-CE2 3.55Å; F149-W160 HydrophobicContact CD2-CE3 4.2Å; F149-W160 AromaticContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CZ2 4.07Å; F149-W160 AromaticContact CD2-NE1 3.58Å; F149-W160 AromaticContact CE2-CD1 3.96Å; F149-W160 HydrophobicContact CE2-CD2 4.49Å; F149-W160 HydrophobicContact CE2-CG 4.45Å; F149-W160 AromaticContact CE2-NE1 3.7Å; F149-W160 HydrophobicContact CG-CD2 4.34Å; F149-W160 HydrophobicContact CG-CE3 4.49Å; F149-W160 HydrophobicContact CG-CZ2 4.24Å |
| 150 | I | 72.4 | Confident | 67.7 | Low | 71 Ų | 71 | 82.4 Ų | 82.4 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 159 | -175.1 | 62.7 | 163.1 | 0 | 0 | 0 | 111.8 | Q148 L152 R158 E159 V161 | Q148-I150 HydrophobicContact CB-CG2 4.22Å; Q148-I150 PolarHBondContact O-N 3.5Å; I150-L152 HydrophobicContact CD1-CD2 4.07Å; I150-L152 HydrophobicContact CG1-CD2 4.41Å; I150-R158 VanDerWaalsContact O-CA 3.28Å; I150-R158 WeakPolarHBondContact O-CA 3.37Å; I150-E159 PolarHBondContact N-O 3.1Å; I150-E159 PolarHBondContact O-N 2.04Å; I150-V161 HydrophobicContact CD1-CG2 3.63Å; I150-V161 HydrophobicContact CG1-CG2 3.33Å |
| 151 | R | 69.5 | Low | 68.2 | Low | 127 Ų | 127 | 80.1 Ų | 80.1 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 113.3 | 174.2 | -170.8 | 172.3 | 179.7 | 162.6 | -3.2 | 109.1 | C116 D117 K155 C156 R158 | C116-R151 PolarHBondContact SG-NH2 3Å; D117-R151 IonicContact OD2-NH1 3.14Å; D117-R151 PolarHBondContact OD2-NH1 3.25Å; R151-K155 PolarHBondContact NE-O 2.98Å; R151-C156 VanDerWaalsContact CZ-O 3.29Å; R151-C156 PolarHBondContact NE-O 2.93Å; R151-C156 VanDerWaalsContact NE-O 3.1Å; R151-R158 HydrophobicContact CB-CG 4.1Å |
| 152 | L | 66.6 | Low | 68.6 | Low | 54 Ų | 54 | 78.5 Ų | 78.5 | 28% | 0.283 | 44% | 0.436 | S | S | . | . | trans | -76.4 | 150.3 | 178 | -65.2 | 175.4 | 0 | 0 | 0 | 111.3 | I150 G154 K155 V161 | I150-L152 HydrophobicContact CD1-CD2 4.07Å; I150-L152 HydrophobicContact CG1-CD2 4.41Å; L152-G154 PolarHBondContact O-N 3.24Å; L152-K155 HydrophobicContact CB-CB 4.14Å; L152-K155 HydrophobicContact CB-CG 4.01Å; L152-K155 PolarHBondContact O-N 3.04Å; L152-V161 HydrophobicContact CD1-CG1 3.91Å; L152-V161 HydrophobicContact CD2-CG1 4.11Å; L152-V161 HydrophobicContact CG-CG1 4.35Å | ||
| 153 | P | 63.3 | Low | 68.6 | Low | 127 Ų | 127 | 79.8 Ų | 79.8 | 83% | 0.825 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 133.1 | 173.7 | -23.5 | 33.6 | 0 | 0 | 0 | 111.6 | K155 | P153-K155 PolarHBondContact O-N 3.39Š|
| 154 | G | 74.3 | Confident | 68 | Low | 92 Ų | 92 | 77.9 Ų | 77.9 | 95% | 0.948 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L152 | L152-G154 PolarHBondContact O-N 3.24Š|
| 155 | K | 69.5 | Low | 67.2 | Low | 101 Ų | 101 | 84.4 Ų | 84.4 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | trans | -97 | 136.5 | 174.1 | -67.5 | -70.8 | -167.1 | 135.4 | 0 | 110.8 | R151 L152 P153 E159 | R151-K155 PolarHBondContact NE-O 2.98Å; L152-K155 HydrophobicContact CB-CB 4.14Å; L152-K155 HydrophobicContact CB-CG 4.01Å; L152-K155 PolarHBondContact O-N 3.04Å; P153-K155 PolarHBondContact O-N 3.39Å; K155-E159 IonicContact NZ-OE1 2.72Å; K155-E159 PolarHBondContact NZ-OE1 3Å; K155-E159 IonicContact NZ-OE2 2.81Å | ||
| 156 | C | 82.1 | Confident | 66.3 | Low | 37 Ų | 37 | 86.3 Ų | 86.3 | 25% | 0.25 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -72.5 | -56 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | C116 D117 R151 | C116-C156 WeakPolarHBondContact CA-SG 3.47Å; C116-C156 HydrophobicContact CB-CB 3.73Å; C116-C156 WeakPolarHBondContact CB-SG 3.4Å; C116-C156 PolarHBondContact O-SG 3.39Å; C116-C156 WeakPolarHBondContact SG-CA 2.99Å; C116-C156 WeakPolarHBondContact SG-CB 3.19Å; C116-C156 CovalentContact SG-SG 2.02Å; C116-C156 PolarHBondContact SG-SG 3.21Å; D117-C156 PolarHBondContact N-SG 3.07Å; R151-C156 VanDerWaalsContact CZ-O 3.29Å; R151-C156 PolarHBondContact NE-O 2.93Å; R151-C156 VanDerWaalsContact NE-O 3.1Å |
| 157 | C | 82.4 | Confident | 65 | Low | 30 Ų | 30 | 89.8 Ų | 89.8 | 20% | 0.203 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -84 | 153.4 | -176.3 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | C133 | C133-C157 WeakPolarHBondContact CA-SG 3.44Å; C133-C157 HydrophobicContact CB-CB 3.71Å; C133-C157 WeakPolarHBondContact CB-SG 3.08Å; C133-C157 WeakPolarHBondContact SG-CA 3.43Å; C133-C157 WeakPolarHBondContact SG-CB 2.96Å; C133-C157 CovalentContact SG-SG 2.04Å; C133-C157 PolarHBondContact SG-SG 3.31Å |
| 158 | R | 79.9 | Confident | 63.7 | Low | 147 Ų | 147 | 93.2 Ų | 93.2 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.5 | 168.1 | -62.8 | -179.3 | -169.4 | -170.7 | 4.8 | 108.3 | F149 I150 R151 | F149-R158 HydrophobicContact CD1-CB 3.84Å; F149-R158 HydrophobicContact CD1-CG 4.44Å; F149-R158 HydrophobicContact CD2-CB 4.08Å; F149-R158 HydrophobicContact CE1-CB 3.56Å; F149-R158 HydrophobicContact CE1-CG 4.25Å; F149-R158 HydrophobicContact CE2-CB 3.81Å; F149-R158 WeakPolarHBondContact CE2-O 3.07Å; F149-R158 HydrophobicContact CG-CB 4.11Å; F149-R158 HydrophobicContact CZ-CB 3.54Å; I150-R158 VanDerWaalsContact O-CA 3.28Å; I150-R158 WeakPolarHBondContact O-CA 3.37Å; R151-R158 HydrophobicContact CB-CG 4.1Å |
| 159 | E | 73 | Confident | 62.1 | Low | 74 Ų | 74 | 95.4 Ų | 95.4 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.7 | 177 | -71.5 | 178.3 | -175.1 | 0 | 0 | 108.5 | I150 K155 V161 | I150-E159 PolarHBondContact N-O 3.1Å; I150-E159 PolarHBondContact O-N 2.04Å; K155-E159 IonicContact NZ-OE1 2.72Å; K155-E159 PolarHBondContact NZ-OE1 3Å; K155-E159 IonicContact NZ-OE2 2.81Å; E159-V161 PolarHBondContact O-N 3.4Å; E159-V161 VanDerWaalsContact O-N 3.13Å |
| 160 | W | 73.1 | Confident | 60.6 | Low | 73 Ų | 73 | 97 Ų | 97 | 28% | 0.277 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 99.5 | 171.9 | -71.9 | 102.2 | 0 | 0 | 0 | 108.8 | T136 R138 P147 Q148 F149 | T136-W160 PolarHBondContact O-NE1 3.47Å; R138-W160 HydrophobicContact CB-CB 4.31Å; R138-W160 HydrophobicContact CB-CD2 3.53Å; R138-W160 HydrophobicContact CB-CE3 4.17Å; R138-W160 HydrophobicContact CB-CG 3.6Å; R138-W160 HydrophobicContact CB-CZ2 4.16Å; R138-W160 HydrophobicContact CG-CG 4.43Å; P147-W160 HydrophobicContact CB-CE3 3.58Å; P147-W160 HydrophobicContact CB-CZ3 3.84Å; P147-W160 HydrophobicContact CG-CE3 4.34Å; P147-W160 HydrophobicContact CG-CZ3 4.12Å; Q148-W160 WeakPolarHBondContact O-CA 3.29Å; F149-W160 HydrophobicContact CB-CD2 4.21Å; F149-W160 HydrophobicContact CB-CE3 3.87Å; F149-W160 HydrophobicContact CB-CH2 4Å; F149-W160 HydrophobicContact CB-CZ2 4.23Å; F149-W160 HydrophobicContact CB-CZ3 3.8Å; F149-W160 AromaticContact CD2-CD1 3.84Å; F149-W160 AromaticContact CD2-CD2 3.66Å; F149-W160 HydrophobicContact CD2-CD2 3.66Å; F149-W160 AromaticContact CD2-CE2 3.55Å; F149-W160 HydrophobicContact CD2-CE3 4.2Å; F149-W160 AromaticContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CG 3.91Å; F149-W160 HydrophobicContact CD2-CZ2 4.07Å; F149-W160 AromaticContact CD2-NE1 3.58Å; F149-W160 AromaticContact CE2-CD1 3.96Å; F149-W160 HydrophobicContact CE2-CD2 4.49Å; F149-W160 HydrophobicContact CE2-CG 4.45Å; F149-W160 AromaticContact CE2-NE1 3.7Å; F149-W160 HydrophobicContact CG-CD2 4.34Å; F149-W160 HydrophobicContact CG-CE3 4.49Å; F149-W160 HydrophobicContact CG-CZ2 4.24Å |
| 161 | V | 69.1 | Low | 59.1 | Low | 42 Ų | 42 | 99.7 Ų | 99.7 | 26% | 0.255 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.2 | 167.3 | -76.7 | 0 | 0 | 0 | 0 | 109.3 | Q148 I150 L152 E159 | Q148-V161 HydrophobicContact CB-CG2 4.27Å; Q148-V161 PolarHBondContact N-O 3.13Å; Q148-V161 PolarHBondContact O-N 2.9Å; I150-V161 HydrophobicContact CD1-CG2 3.63Å; I150-V161 HydrophobicContact CG1-CG2 3.33Å; L152-V161 HydrophobicContact CD1-CG1 3.91Å; L152-V161 HydrophobicContact CD2-CG1 4.11Å; L152-V161 HydrophobicContact CG-CG1 4.35Å; E159-V161 PolarHBondContact O-N 3.4Å; E159-V161 VanDerWaalsContact O-N 3.13Å |
| 162 | C | 61.4 | Low | 57.8 | Low | 22 Ų | 22 | 101.1 Ų | 101.1 | 15% | 0.149 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.5 | 163.7 | -60.9 | 0 | 0 | 0 | 0 | 105.6 | R138 C144 N164 | R138-C162 PolarHBondContact NH1-SG 3.38Å; R138-C162 PolarHBondContact NH2-SG 3.24Å; C144-C162 HydrophobicContact CB-CB 3.62Å; C144-C162 WeakPolarHBondContact CB-SG 3.4Å; C144-C162 WeakPolarHBondContact SG-CB 3.4Å; C144-C162 CovalentContact SG-SG 1.97Å; C144-C162 PolarHBondContact SG-SG 3.47Å; C162-N164 WeakPolarHBondContact CB-OD1 3.38Å; C162-N164 PolarHBondContact O-N 3.32Å |
| 163 | E | 53 | Low | 56.6 | Low | 153 Ų | 153 | 102 Ų | 102 | 72% | 0.715 | 56% | 0.561 | S | S | * | * | trans | -66.6 | 78.5 | 162.5 | -167.4 | 171.2 | -161.6 | 0 | 0 | 106.5 | L165 | E163-L165 PolarHBondContact O-N 2.95Š| ||
| 164 | N | 42.6 | Very low | 55.9 | Low | 101 Ų | 101 | 101.6 Ų | 101.6 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | trans | -64.1 | 131 | 166.5 | -71.1 | -1.8 | 0 | 0 | 0 | 104.9 | C162 E166 | C162-N164 WeakPolarHBondContact CB-OD1 3.38Å; C162-N164 PolarHBondContact O-N 3.32Å; N164-E166 PolarHBondContact O-N 3.38Å | ||
| 165 | L | 41.7 | Very low | 54.5 | Low | 140 Ų | 140 | 103.2 Ų | 103.2 | 73% | 0.733 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -63.4 | 12.3 | 178.7 | -149.4 | 80.7 | 0 | 0 | 0 | 113.4 | E163 | E163-L165 PolarHBondContact O-N 2.95Š|
| 166 | E | 40.8 | Very low | 53.1 | Low | 147 Ų | 147 | 102.4 Ų | 102.4 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | trans | -146.4 | 96.1 | -171.4 | -64.4 | -177.4 | 175.5 | 0 | 0 | 108.9 | N164 | N164-E166 PolarHBondContact O-N 3.38Š| ||
| 167 | N | 32.3 | Very low | 51.2 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 82% | 0.824 | 58% | 0.578 | S | S | * | * | trans | -114.7 | 81.2 | 144.1 | -89.2 | -19.5 | 0 | 0 | 0 | 106.2 | V169 | N167-V169 VanDerWaalsContact C-N 3.29Å; N167-V169 PolarHBondContact O-N 2.82Å | ||
| 168 | T | 41.8 | Very low | 49.1 | Very low | 97 Ų | 97 | 114 Ų | 114 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | trans | -10.4 | 83 | 132.9 | 32.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 169 | V | 38.1 | Very low | 47.3 | Very low | 137 Ų | 137 | 113 Ų | 113 | 83% | 0.83 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -120.8 | 33.8 | 135.6 | -167.1 | 0 | 0 | 0 | 0 | 107.9 | N167 | N167-V169 VanDerWaalsContact C-N 3.29Å; N167-V169 PolarHBondContact O-N 2.82Å |
| 170 | I | 45.9 | Very low | 45.6 | Very low | 111 Ų | 111 | 113 Ų | 113 | 57% | 0.569 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -131.4 | 48.7 | 179 | -45.4 | -175.8 | 0 | 0 | 0 | 108.1 | I174 | I170-I174 HydrophobicContact CG2-CD1 3.66Š|
| 171 | Q | 40.1 | Very low | 43.9 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -143.3 | -12.6 | 169 | -131.5 | 80.7 | 39.3 | 0 | 0 | 115.2 | T175 | Q171-T175 PolarHBondContact O-OG1 2.66Š|
| 172 | D | 42.1 | Very low | 42.3 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -96 | -11.8 | 171.7 | -69.3 | -19.9 | 0 | 0 | 0 | 113.6 | ||
| 173 | A | 42.7 | Very low | 41.1 | Very low | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -93.5 | -17.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 174 | I | 47.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 61% | 0.605 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -95.3 | -17.9 | -176.9 | -59.7 | 179.4 | 0 | 0 | 0 | 112 | I170 | I170-I174 HydrophobicContact CG2-CD1 3.66Š|
| 175 | T | 44.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -88.4 | -10.5 | 177 | -41.8 | 0 | 0 | 0 | 0 | 113.1 | Q171 | Q171-T175 PolarHBondContact O-OG1 2.66Š|
| 176 | A | 42 | Very low | 39.4 | Very low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -97.4 | -2.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 177 | M | 41.1 | Very low | 39.8 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -139.7 | 79 | 179.3 | -69.4 | -173.1 | -178.8 | 0 | 0 | 111.3 | ||
| 178 | N | 38.7 | Very low | 39.8 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | 178.6 | 108.7 | 131.1 | -90.4 | -38.5 | 0 | 0 | 0 | 110.8 | ||||
| 179 | P | 41.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -79.4 | 122.6 | 161.7 | 30.8 | -25.5 | 0 | 0 | 0 | 109.5 | ||||
| 180 | G | 38.6 | Very low | 39.9 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | 82.9 | 114.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 181 | R | 36.2 | Very low | 39.6 | Very low | 246 Ų | 246 | 122 Ų | 122 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | 167.3 | 101.3 | 125.5 | -97.5 | 176.7 | 165.9 | -161.3 | -4.2 | 107.7 | |||||
| 182 | S | 36.3 | Very low | 39.4 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | 69.6 | 104.9 | 78.1 | -171.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 183 | G | 35.4 | Very low | 39.6 | Very low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 64.5 | 137.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 184 | S | 32.5 | Very low | 39.3 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | cis | -169.9 | 150.4 | 46.4 | -51.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 185 | T | 32 | Very low | 39.4 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -61 | 145.1 | 171.8 | -29.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 186 | M | 37 | Very low | 39.6 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | 166 | 173 | 91.1 | -101.8 | -42 | -101.2 | 0 | 0 | 111.2 | |||||
| 187 | P | 49.3 | Very low | 39.6 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -127.9 | 177.3 | -131.1 | 43.9 | -28.2 | 0 | 0 | 0 | 117 | ||||
| 188 | G | 32.3 | Very low | 39.7 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 128.2 | 98.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 189 | A | 34.5 | Very low | 40.2 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | 105.9 | 162.5 | 101.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 190 | P | 48.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -128.5 | 176.1 | -106.5 | 33.5 | -12.1 | 0 | 0 | 0 | 116.5 | |||||
| 191 | V | 37.8 | Very low | 41.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | 73 | 113.1 | 158.2 | -147.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 192 | L | 36.8 | Very low | 43.4 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 177.8 | 141.5 | 109.8 | -97.4 | 150.8 | 0 | 0 | 0 | 112.4 | |||||
| 193 | K | 46.8 | Very low | 45.4 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -55 | 128.5 | -178.6 | -66 | 164.2 | 173.2 | 176 | 0 | 111.9 | ||||
| 194 | Q | 36 | Very low | 47.6 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -143.2 | 99.2 | 146.9 | -151.4 | 101.2 | 0.3 | 0 | 0 | 107.9 | ||||
| 195 | L | 49.3 | Very low | 49.6 | Very low | 165 Ų | 165 | 125 Ų | 125 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -60.8 | 140.4 | 157.6 | -79.3 | 154.5 | 0 | 0 | 0 | 107.2 | ||||
| 196 | V | 49.5 | Very low | 51.6 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | trans | 87.1 | 98.9 | 178.9 | -168.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 197 | Q | 41.4 | Very low | 53.6 | Low | 180 Ų | 180 | 117.1 Ų | 117.1 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | trans | -169.1 | 159.4 | 142.7 | -84.1 | -116.8 | 0 | 0 | 0 | 108.9 | ||||
| 198 | P | 43.4 | Very low | 55 | Low | 108 Ų | 108 | 120 Ų | 120 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | -98.8 | 173.9 | -89.4 | 12.1 | 11.5 | 0 | 0 | 0 | 110.7 | S200 | P198-S200 PolarHBondContact O-N 2.98Š| |||
| 199 | A | 48.5 | Very low | 57.3 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 81% | 0.81 | 68% | 0.676 | S | S | * | * | trans | -41.2 | 111.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S201 | A199-S201 PolarHBondContact O-N 3.01Š| ||
| 200 | S | 49.8 | Very low | 59.5 | Low | 108 Ų | 108 | 116.3 Ų | 116.3 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -64.8 | 88.9 | 167.8 | 55 | 0 | 0 | 0 | 0 | 106.7 | P198 C202 | P198-S200 PolarHBondContact O-N 2.98Å; S200-C202 VanDerWaalsContact C-N 3.31Å; S200-C202 PolarHBondContact O-N 3.05Å | ||
| 201 | S | 65 | Low | 61 | Low | 106 Ų | 106 | 113.4 Ų | 113.4 | 74% | 0.741 | 64% | 0.639 | S | S | * | * | trans | 18.5 | 67.8 | 166.7 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | A199 V203 | A199-S201 PolarHBondContact O-N 3.01Å; S201-V203 PolarHBondContact O-N 3.46Å | ||
| 202 | C | 68 | Low | 63.2 | Low | 50 Ų | 50 | 108 Ų | 108 | 34% | 0.338 | 61% | 0.607 | S | S | . | * | trans | -68.1 | 103.3 | 173 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | S200 E204 C231 | S200-C202 VanDerWaalsContact C-N 3.31Å; S200-C202 PolarHBondContact O-N 3.05Å; C202-E204 PolarHBondContact O-N 2.02Å; C202-C231 WeakPolarHBondContact CA-SG 3.35Å; C202-C231 HydrophobicContact CB-CB 3.83Å; C202-C231 WeakPolarHBondContact CB-SG 3.37Å; C202-C231 WeakPolarHBondContact SG-CB 3.42Å; C202-C231 CovalentContact SG-SG 2.02Å; C202-C231 PolarHBondContact SG-SG 2.82Å | ||
| 203 | V | 79.3 | Confident | 65.3 | Low | 100 Ų | 100 | 103.6 Ų | 103.6 | 61% | 0.606 | 59% | 0.59 | S | S | * | * | trans | -73.4 | 100.5 | 173.5 | -178.4 | 0 | 0 | 0 | 0 | 106.2 | S201 Q205 N226 | S201-V203 PolarHBondContact O-N 3.46Å; V203-Q205 HydrophobicContact CG1-CG 4.29Å; V203-Q205 PolarHBondContact O-N 2.86Å; V203-N226 PolarHBondContact O-ND2 2.74Å | ||
| 204 | E | 81 | Confident | 66.8 | Low | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 58% | 0.575 | S | S | * | * | trans | -63 | 123.3 | 179.3 | -67.3 | -169.7 | -173.3 | 0 | 0 | 110.3 | C202 N226 Q227 | C202-E204 PolarHBondContact O-N 2.02Å; E204-N226 WeakPolarHBondContact CA-OD1 3.09Å; E204-Q227 HydrophobicContact CB-CG 4.41Å; E204-Q227 HydrophobicContact CG-CG 4.37Å; E204-Q227 PolarHBondContact OE2-NE2 2.06Å | ||
| 205 | Q | 74 | Confident | 68.9 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 53% | 0.528 | 55% | 0.55 | S | S | . | . | trans | -132.2 | 122.7 | 179.5 | -68.2 | -178 | -39.5 | 0 | 0 | 107.9 | V203 S225 N226 | V203-Q205 HydrophobicContact CG1-CG 4.29Å; V203-Q205 PolarHBondContact O-N 2.86Å; Q205-S225 WeakPolarHBondContact O-CA 3.39Å; Q205-N226 PolarHBondContact N-OD1 2.89Å; Q205-N226 PolarHBondContact O-N 3.24Å; Q205-N226 PolarHBondContact O-OD1 3.13Å | ||
| 206 | A | 76 | Confident | 70.5 | Confident | 44 Ų | 44 | 87.3 Ų | 87.3 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -134.8 | 133 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V224 | A206-V224 CarbonylContact C-O 3.55Å; A206-V224 WeakPolarHBondContact CA-O 3.35Å |
| 207 | T | 78.1 | Confident | 72.1 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 161.2 | 169.8 | 66.6 | 0 | 0 | 0 | 0 | 110.2 | V224 | T207-V224 HydrophobicContact CG2-CB 4.25Å; T207-V224 PolarHBondContact N-O 3.46Å; T207-V224 PolarHBondContact OG1-N 2.95Å; T207-V224 PolarHBondContact OG1-O 2.9Å |
| 208 | Q | 77.7 | Confident | 74 | Confident | 172 Ų | 172 | 77 Ų | 77 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 149.9 | 168.8 | -64.9 | -59.9 | -37.3 | 0 | 0 | 110.1 | ||
| 209 | W | 82.3 | Confident | 75.9 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 17% | 0.167 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 137.8 | 173.3 | -70.8 | 97.1 | 0 | 0 | 0 | 110.8 | R223 E236 R238 | W209-R223 HydrophobicContact CD2-CB 3.99Å; W209-R223 HydrophobicContact CD2-CG 3.92Å; W209-R223 HydrophobicContact CE3-CB 3.84Å; W209-R223 HydrophobicContact CE3-CG 3.83Å; W209-R223 HydrophobicContact CG-CB 4.46Å; W209-R223 HydrophobicContact CH2-CG 3.7Å; W209-R223 VanDerWaalsContact CZ2-CD 3.47Å; W209-R223 HydrophobicContact CZ2-CG 3.8Å; W209-R223 HydrophobicContact CZ3-CB 4.15Å; W209-R223 HydrophobicContact CZ3-CG 3.72Å; W209-E236 HydrophobicContact CH2-CB 3.96Å; W209-E236 HydrophobicContact CZ3-CB 4.44Å; W209-R238 VanDerWaalsContact CD1-CZ 3.45Å; W209-R238 HydrophobicContact CD2-CG 4.35Å; W209-R238 VanDerWaalsContact CD2-NE 3.3Å; W209-R238 HydrophobicContact CE3-CG 3.86Å; W209-R238 VanDerWaalsContact CG-NH2 3.28Å; W209-R238 HydrophobicContact CH2-CB 4.01Å; W209-R238 HydrophobicContact CH2-CG 3.83Å; W209-R238 HydrophobicContact CZ2-CG 4.3Å; W209-R238 HydrophobicContact CZ3-CB 4.08Å; W209-R238 HydrophobicContact CZ3-CG 3.59Å |
| 210 | S | 79.7 | Confident | 77.4 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 160.1 | 169.7 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | S221 T222 | S210-S221 WeakPolarHBondContact O-CB 2.99Å; S210-T222 WeakPolarHBondContact CB-O 3.28Å; S210-T222 PolarHBondContact N-O 2.93Å; S210-T222 PolarHBondContact OG-N 2.85Å; S210-T222 PolarHBondContact OG-O 3.46Å; S210-T222 VanDerWaalsContact OG-O 3.09Å; S210-T222 PolarHBondContact OG-OG1 2.03Å |
| 211 | A | 81.1 | Confident | 78.6 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 150.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S213 P337 | A211-S213 PolarHBondContact O-N 2.06Å; A211-P337 HydrophobicContact CB-CB 3.61Å; A211-P337 HydrophobicContact CB-CG 3.87Å |
| 212 | C | 82.6 | Confident | 79 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.2 | 175.2 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | Q214 C240 V242 Y338 | C212-Q214 PolarHBondContact O-N 3.28Å; C212-Q214 VanDerWaalsContact O-N 3.16Å; C212-C240 WeakPolarHBondContact CA-SG 3.39Å; C212-C240 HydrophobicContact CB-CB 3.87Å; C212-C240 WeakPolarHBondContact CB-SG 2.99Å; C212-C240 WeakPolarHBondContact SG-CB 3.31Å; C212-C240 CovalentContact SG-SG 2.03Å; C212-C240 PolarHBondContact SG-SG 3.3Å; C212-V242 HydrophobicContact CB-CG2 3.72Å; C212-Y338 WeakPolarHBondContact CB-OH 3.48Å; C212-Y338 PolarHBondContact N-OH 3.26Å; C212-Y338 WeakPolarHBondContact O-CE1 3.3Å; C212-Y338 PolarHBondContact O-OH 3.07Å |
| 213 | S | 81.3 | Confident | 79.4 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -65.7 | -16.6 | 179.1 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | A211 G219 V220 | A211-S213 PolarHBondContact O-N 2.06Å; S213-G219 WeakPolarHBondContact OG-CA 3.25Å; S213-V220 PolarHBondContact N-O 3.38Å; S213-V220 PolarHBondContact OG-N 2.81Å |
| 214 | Q | 78.8 | Confident | 79.2 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | trans | -130.9 | 139.1 | -177.9 | -66 | -67.9 | -7.6 | 0 | 0 | 110.8 | C212 C216 | C212-Q214 PolarHBondContact O-N 3.28Å; C212-Q214 VanDerWaalsContact O-N 3.16Å; Q214-C216 WeakPolarHBondContact CB-O 2.94Å | ||
| 215 | S | 79.5 | Confident | 78.8 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -79.7 | -19 | -178.7 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | R243 | S215-R243 VanDerWaalsContact O-CG 3.28Å; S215-R243 WeakPolarHBondContact O-CG 3.36Å; S215-R243 PolarHBondContact O-NE 2.73Å |
| 216 | C | 83.7 | Confident | 79 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -143.2 | 163.6 | 168.2 | 77 | 0 | 0 | 0 | 0 | 109.6 | Q214 R243 C245 | Q214-C216 WeakPolarHBondContact CB-O 2.94Å; C216-R243 CarbonylContact C-O 3.54Å; C216-R243 VanDerWaalsContact CA-O 3.27Å; C216-R243 WeakPolarHBondContact CA-O 3.35Å; C216-R243 HydrophobicContact CB-CG 3.85Å; C216-C245 HydrophobicContact CB-CB 4.1Å; C216-C245 WeakPolarHBondContact CB-SG 3.15Å; C216-C245 WeakPolarHBondContact SG-CB 3.28Å; C216-C245 CovalentContact SG-SG 2.06Å; C216-C245 PolarHBondContact SG-SG 3Å |
| 217 | G | 82.8 | Confident | 78.8 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 75.3 | -167 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K241 R243 C245 | G217-K241 WeakPolarHBondContact O-CA 3.15Å; G217-K241 WeakPolarHBondContact O-CG 3.11Å; G217-R243 PolarHBondContact N-O 3.27Å; G217-C245 PolarHBondContact N-SG 2.91Å |
| 218 | A | 82.2 | Confident | 78.7 | Confident | 79 Ų | 79 | 49.3 Ų | 49.3 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -80.7 | 133.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 219 | G | 83 | Confident | 78.6 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | -170.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S213 C240 | S213-G219 WeakPolarHBondContact OG-CA 3.25Å; G219-C240 PolarHBondContact N-O 3.48Å; G219-C240 PolarHBondContact O-N 3.43Å |
| 220 | V | 79.8 | Confident | 78.2 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.1 | -179.1 | -175.9 | 0 | 0 | 0 | 0 | 110 | S213 T222 L239 C240 | S213-V220 PolarHBondContact N-O 3.38Å; S213-V220 PolarHBondContact OG-N 2.81Å; V220-T222 HydrophobicContact CG1-CG2 4.42Å; V220-L239 HydrophobicContact CG2-CD2 4.48Å; V220-C240 VanDerWaalsContact CA-SG 3.6Å; V220-C240 PolarHBondContact N-SG 2.89Å |
| 221 | S | 75.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.5 | 169 | 56.1 | 0 | 0 | 0 | 0 | 109.3 | S210 T237 R238 | S210-S221 WeakPolarHBondContact O-CB 2.99Å; S221-T237 WeakPolarHBondContact O-CA 2.94Å; S221-R238 PolarHBondContact N-O 3.5Å; S221-R238 PolarHBondContact O-N 2.89Å; S221-R238 WeakPolarHBondContact OG-CG 3.06Å; S221-R238 PolarHBondContact OG-NE 3.19Å; S221-R238 VanDerWaalsContact OG-NE 3.12Å; S221-R238 PolarHBondContact OG-O 3.16Å |
| 222 | T | 72.2 | Confident | 77.4 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 31% | 0.307 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.6 | -172.2 | 58.6 | 0 | 0 | 0 | 0 | 111 | S210 V220 E236 T237 | S210-T222 WeakPolarHBondContact CB-O 3.28Å; S210-T222 PolarHBondContact N-O 2.93Å; S210-T222 PolarHBondContact OG-N 2.85Å; S210-T222 PolarHBondContact OG-O 3.46Å; S210-T222 VanDerWaalsContact OG-O 3.09Å; S210-T222 PolarHBondContact OG-OG1 2.03Å; V220-T222 HydrophobicContact CG1-CG2 4.42Å; T222-E236 CarbonylContact C-O 3.58Å; T222-E236 VanDerWaalsContact CA-O 3.24Å; T222-E236 WeakPolarHBondContact CA-O 3.4Å; T222-T237 HydrophobicContact CG2-CG2 3.92Å |
| 223 | R | 77.8 | Confident | 76.6 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 168.2 | 168.3 | 71.4 | 172.9 | 176.4 | 166.1 | 9.9 | 109.7 | W209 M235 E236 | W209-R223 HydrophobicContact CD2-CB 3.99Å; W209-R223 HydrophobicContact CD2-CG 3.92Å; W209-R223 HydrophobicContact CE3-CB 3.84Å; W209-R223 HydrophobicContact CE3-CG 3.83Å; W209-R223 HydrophobicContact CG-CB 4.46Å; W209-R223 HydrophobicContact CH2-CG 3.7Å; W209-R223 VanDerWaalsContact CZ2-CD 3.47Å; W209-R223 HydrophobicContact CZ2-CG 3.8Å; W209-R223 HydrophobicContact CZ3-CB 4.15Å; W209-R223 HydrophobicContact CZ3-CG 3.72Å; R223-M235 CarbonylContact O-C 2.93Å; R223-M235 WeakPolarHBondContact O-CA 3.15Å; R223-E236 HydrophobicContact CG-CB 3.94Å; R223-E236 IonicContact CZ-OE2 3.14Å; R223-E236 PolarHBondContact N-O 2.93Å; R223-E236 IonicContact NE-OE2 2.74Å; R223-E236 PolarHBondContact NE-OE2 2.89Å; R223-E236 IonicContact NH2-OE1 3.42Å; R223-E236 PolarHBondContact NH2-OE1 3.3Å; R223-E236 IonicContact NH2-OE2 2.73Å; R223-E236 PolarHBondContact NH2-OE2 2.81Å; R223-E236 PolarHBondContact O-N 3.23Å |
| 224 | V | 73.8 | Confident | 75.7 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 35% | 0.352 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.6 | 168.8 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | A206 T207 L233 Q234 | A206-V224 CarbonylContact C-O 3.55Å; A206-V224 WeakPolarHBondContact CA-O 3.35Å; T207-V224 HydrophobicContact CG2-CB 4.25Å; T207-V224 PolarHBondContact N-O 3.46Å; T207-V224 PolarHBondContact OG1-N 2.95Å; T207-V224 PolarHBondContact OG1-O 2.9Å; V224-L233 HydrophobicContact CG1-CB 3.95Å; V224-L233 HydrophobicContact CG1-CD2 3.99Å; V224-Q234 CarbonylContact C-O 3.58Å; V224-Q234 VanDerWaalsContact CA-O 3.32Å; V224-Q234 WeakPolarHBondContact CA-O 3.06Å |
| 225 | S | 72.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 139.8 | -173.1 | 165.8 | 0 | 0 | 0 | 0 | 110.1 | Q205 Q227 Q234 E236 | Q205-S225 WeakPolarHBondContact O-CA 3.39Å; S225-Q227 WeakPolarHBondContact OG-CB 3.41Å; S225-Q227 WeakPolarHBondContact OG-CG 3Å; S225-Q227 PolarHBondContact OG-N 2.93Å; S225-Q227 VanDerWaalsContact OG-N 3.16Å; S225-Q234 PolarHBondContact N-O 2.04Å; S225-Q234 PolarHBondContact O-N 3.12Å; S225-E236 WeakPolarHBondContact CB-OE1 3.18Å; S225-E236 PolarHBondContact OG-OE1 2.75Å |
| 226 | N | 77.9 | Confident | 75.2 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | trans | -97 | 12.7 | 172.2 | 70.8 | -6.5 | 0 | 0 | 0 | 113.1 | V203 E204 Q205 N228 C231 K232 L233 | V203-N226 PolarHBondContact O-ND2 2.74Å; E204-N226 WeakPolarHBondContact CA-OD1 3.09Å; Q205-N226 PolarHBondContact N-OD1 2.89Å; Q205-N226 PolarHBondContact O-N 3.24Å; Q205-N226 PolarHBondContact O-OD1 3.13Å; N226-N228 PolarHBondContact O-N 3Å; N226-C231 WeakPolarHBondContact O-CA 3.45Å; N226-K232 WeakPolarHBondContact CA-O 3.37Å; N226-L233 HydrophobicContact CB-CD2 3.93Å; N226-L233 HydrophobicContact CB-CG 4.13Å | ||
| 227 | Q | 72.9 | Confident | 74.9 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | trans | -74.6 | 65 | 176.9 | -62.9 | -178 | -27.8 | 0 | 0 | 111.4 | E204 S225 | E204-Q227 HydrophobicContact CB-CG 4.41Å; E204-Q227 HydrophobicContact CG-CG 4.37Å; E204-Q227 PolarHBondContact OE2-NE2 2.06Å; S225-Q227 WeakPolarHBondContact OG-CB 3.41Å; S225-Q227 WeakPolarHBondContact OG-CG 3Å; S225-Q227 PolarHBondContact OG-N 2.93Å; S225-Q227 VanDerWaalsContact OG-N 3.16Å | ||
| 228 | N | 75.6 | Confident | 75.1 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 17% | 0.166 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -137.7 | 162.3 | 173 | 54.4 | 64.2 | 0 | 0 | 0 | 109.9 | N226 A230 C231 K232 Q234 | N226-N228 PolarHBondContact O-N 3Å; N228-A230 PolarHBondContact O-N 2.96Å; N228-A230 WeakPolarHBondContact OD1-CA 3.36Å; N228-A230 PolarHBondContact OD1-N 3.36Å; N228-C231 PolarHBondContact O-N 2.78Å; N228-C231 PolarHBondContact OD1-N 3.46Å; N228-K232 PolarHBondContact ND2-O 2.87Å; N228-K232 PolarHBondContact OD1-N 3.09Å; N228-Q234 PolarHBondContact ND2-OE1 2.89Å; N228-Q234 VanDerWaalsContact ND2-OE1 3.16Å |
| 229 | P | 74.8 | Confident | 75.3 | Confident | 151 Ų | 151 | 57.8 Ų | 57.8 | 98% | 0.981 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.6 | -179.1 | -26.2 | 35.3 | 0 | 0 | 0 | 114.4 | ||
| 230 | A | 74.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 51% | 0.512 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N228 K232 | N228-A230 PolarHBondContact O-N 2.96Å; N228-A230 WeakPolarHBondContact OD1-CA 3.36Å; N228-A230 PolarHBondContact OD1-N 3.36Å; A230-K232 HydrophobicContact CB-CD 4.44Å; A230-K232 HydrophobicContact CB-CG 4.25Å; A230-K232 WeakPolarHBondContact O-CG 3.05Å; A230-K232 PolarHBondContact O-N 2.96Å |
| 231 | C | 72.1 | Confident | 76 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | trans | 51.9 | 34.8 | -174.3 | -167.2 | 0 | 0 | 0 | 0 | 114.1 | C202 N226 N228 | C202-C231 WeakPolarHBondContact CA-SG 3.35Å; C202-C231 HydrophobicContact CB-CB 3.83Å; C202-C231 WeakPolarHBondContact CB-SG 3.37Å; C202-C231 WeakPolarHBondContact SG-CB 3.42Å; C202-C231 CovalentContact SG-SG 2.02Å; C202-C231 PolarHBondContact SG-SG 2.82Å; N226-C231 WeakPolarHBondContact O-CA 3.45Å; N228-C231 PolarHBondContact O-N 2.78Å; N228-C231 PolarHBondContact OD1-N 3.46Å | ||
| 232 | K | 70.9 | Confident | 76.6 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | trans | -106.9 | 135.6 | -178.3 | -68.7 | -174.6 | -178 | -178.1 | 0 | 111 | N226 N228 A230 Q234 | N226-K232 WeakPolarHBondContact CA-O 3.37Å; N228-K232 PolarHBondContact ND2-O 2.87Å; N228-K232 PolarHBondContact OD1-N 3.09Å; A230-K232 HydrophobicContact CB-CD 4.44Å; A230-K232 HydrophobicContact CB-CG 4.25Å; A230-K232 WeakPolarHBondContact O-CG 3.05Å; A230-K232 PolarHBondContact O-N 2.96Å; K232-Q234 PolarHBondContact O-N 3.44Å; K232-Q234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | L | 67.1 | Low | 77.4 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | trans | -59.4 | 120.1 | 174 | -72.6 | 166.1 | 0 | 0 | 0 | 110 | V224 N226 | V224-L233 HydrophobicContact CG1-CB 3.95Å; V224-L233 HydrophobicContact CG1-CD2 3.99Å; N226-L233 HydrophobicContact CB-CD2 3.93Å; N226-L233 HydrophobicContact CB-CG 4.13Å | ||
| 234 | Q | 62 | Low | 77.8 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150.7 | 180 | -73.5 | -176.9 | -26.3 | 0 | 0 | 110.4 | V224 S225 N228 K232 E236 | V224-Q234 CarbonylContact C-O 3.58Å; V224-Q234 VanDerWaalsContact CA-O 3.32Å; V224-Q234 WeakPolarHBondContact CA-O 3.06Å; S225-Q234 PolarHBondContact N-O 2.04Å; S225-Q234 PolarHBondContact O-N 3.12Å; N228-Q234 PolarHBondContact ND2-OE1 2.89Å; N228-Q234 VanDerWaalsContact ND2-OE1 3.16Å; K232-Q234 PolarHBondContact O-N 3.44Å; K232-Q234 VanDerWaalsContact O-N 3.12Å; Q234-E236 PolarHBondContact O-N 2.88Å |
| 235 | M | 68.9 | Low | 78.2 | Confident | 134 Ų | 134 | 58.8 Ų | 58.8 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.8 | 173 | -172 | 177.8 | 68.3 | 0 | 0 | 110.1 | R223 T237 | R223-M235 CarbonylContact O-C 2.93Å; R223-M235 WeakPolarHBondContact O-CA 3.15Å; M235-T237 HydrophobicContact CE-CG2 4.29Å |
| 236 | E | 78.4 | Confident | 78 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.234 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 143.2 | 171.7 | -66.8 | -178.5 | -163.5 | 0 | 0 | 110.4 | W209 T222 R223 S225 Q234 | W209-E236 HydrophobicContact CH2-CB 3.96Å; W209-E236 HydrophobicContact CZ3-CB 4.44Å; T222-E236 CarbonylContact C-O 3.58Å; T222-E236 VanDerWaalsContact CA-O 3.24Å; T222-E236 WeakPolarHBondContact CA-O 3.4Å; R223-E236 HydrophobicContact CG-CB 3.94Å; R223-E236 IonicContact CZ-OE2 3.14Å; R223-E236 PolarHBondContact N-O 2.93Å; R223-E236 IonicContact NE-OE2 2.74Å; R223-E236 PolarHBondContact NE-OE2 2.89Å; R223-E236 IonicContact NH2-OE1 3.42Å; R223-E236 PolarHBondContact NH2-OE1 3.3Å; R223-E236 IonicContact NH2-OE2 2.73Å; R223-E236 PolarHBondContact NH2-OE2 2.81Å; R223-E236 PolarHBondContact O-N 3.23Å; S225-E236 WeakPolarHBondContact CB-OE1 3.18Å; S225-E236 PolarHBondContact OG-OE1 2.75Å; Q234-E236 PolarHBondContact O-N 2.88Å |
| 237 | T | 77.9 | Confident | 76.9 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.8 | 176.7 | 72.3 | 0 | 0 | 0 | 0 | 110.5 | S221 T222 M235 | S221-T237 WeakPolarHBondContact O-CA 2.94Å; T222-T237 HydrophobicContact CG2-CG2 3.92Å; M235-T237 HydrophobicContact CE-CG2 4.29Å |
| 238 | R | 87.8 | Confident | 75.5 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 2% | 0.023 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 148.4 | 173.5 | 72.5 | -178.5 | -179.3 | 175.2 | 0.7 | 111.3 | W209 S221 T305 S306 T307 A323 M325 | W209-R238 VanDerWaalsContact CD1-CZ 3.45Å; W209-R238 HydrophobicContact CD2-CG 4.35Å; W209-R238 VanDerWaalsContact CD2-NE 3.3Å; W209-R238 HydrophobicContact CE3-CG 3.86Å; W209-R238 VanDerWaalsContact CG-NH2 3.28Å; W209-R238 HydrophobicContact CH2-CB 4.01Å; W209-R238 HydrophobicContact CH2-CG 3.83Å; W209-R238 HydrophobicContact CZ2-CG 4.3Å; W209-R238 HydrophobicContact CZ3-CB 4.08Å; W209-R238 HydrophobicContact CZ3-CG 3.59Å; S221-R238 PolarHBondContact N-O 3.5Å; S221-R238 PolarHBondContact O-N 2.89Å; S221-R238 WeakPolarHBondContact OG-CG 3.06Å; S221-R238 PolarHBondContact OG-NE 3.19Å; S221-R238 VanDerWaalsContact OG-NE 3.12Å; S221-R238 PolarHBondContact OG-O 3.16Å; R238-T305 PolarHBondContact NH2-OG1 2.78Å; R238-S306 PolarHBondContact NH1-O 3.31Å; R238-T307 HydrophobicContact CB-CG2 4.34Å; R238-T307 VanDerWaalsContact CD-OG1 3.29Å; R238-T307 WeakPolarHBondContact CD-OG1 3.41Å; R238-T307 PolarHBondContact NH1-OG1 2.96Å; R238-A323 CarbonylContact C-O 3.54Å; R238-A323 WeakPolarHBondContact CA-O 3.07Å; R238-A323 HydrophobicContact CB-CB 3.73Å; R238-M325 PolarHBondContact NH2-SD 3.01Å; R238-M325 VanDerWaalsContact NH2-SD 3.4Å |
| 239 | L | 86.4 | Confident | 74.3 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.2 | 173.3 | -57.7 | 178.6 | 0 | 0 | 0 | 109.9 | V220 H277 K322 A323 V324 M325 | V220-L239 HydrophobicContact CG2-CD2 4.48Å; L239-H277 HydrophobicContact CD1-CB 4.16Å; L239-K322 HydrophobicContact CD1-CB 4.02Å; L239-K322 HydrophobicContact CD1-CG 4.39Å; L239-A323 PolarHBondContact N-O 2.8Å; L239-V324 HydrophobicContact CB-CG2 4.29Å; L239-V324 HydrophobicContact CD1-CG2 4.34Å; L239-V324 CarbonylContact O-C 3.51Å; L239-V324 WeakPolarHBondContact O-CA 3.4Å; L239-M325 WeakPolarHBondContact O-CB 3.36Å; L239-M325 PolarHBondContact O-N 2.93Å |
| 240 | C | 87.2 | Confident | 72.7 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.034 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 150.3 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | C212 G219 V220 M325 | C212-C240 WeakPolarHBondContact CA-SG 3.39Å; C212-C240 HydrophobicContact CB-CB 3.87Å; C212-C240 WeakPolarHBondContact CB-SG 2.99Å; C212-C240 WeakPolarHBondContact SG-CB 3.31Å; C212-C240 CovalentContact SG-SG 2.03Å; C212-C240 PolarHBondContact SG-SG 3.3Å; G219-C240 PolarHBondContact N-O 3.48Å; G219-C240 PolarHBondContact O-N 3.43Å; V220-C240 VanDerWaalsContact CA-SG 3.6Å; V220-C240 PolarHBondContact N-SG 2.89Å; C240-M325 HydrophobicContact CB-CB 4.1Å; C240-M325 HydrophobicContact CB-CE 3.52Å; C240-M325 HydrophobicContact CB-SD 3.96Å |
| 241 | K | 88.8 | Confident | 71 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | trans | -147 | 100.6 | 174 | -180 | 168.9 | -175.5 | 177.8 | 0 | 109.3 | G217 Y290 | G217-K241 WeakPolarHBondContact O-CA 3.15Å; G217-K241 WeakPolarHBondContact O-CG 3.11Å; K241-Y290 HydrophobicContact CD-CE1 4.09Å; K241-Y290 HydrophobicContact CG-CE1 3.89Å | ||
| 242 | V | 89.7 | Confident | 69.7 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -69.5 | -41.4 | -176.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | C212 Y290 C291 P302 | C212-V242 HydrophobicContact CB-CG2 3.72Å; V242-Y290 WeakPolarHBondContact O-CA 3.33Å; V242-Y290 WeakPolarHBondContact O-CB 3.46Å; V242-C291 HydrophobicContact CG1-CB 3.89Å; V242-C291 PolarHBondContact O-N 3.4Å; V242-P302 HydrophobicContact CG1-CG 4.43Å; V242-P302 HydrophobicContact CG2-CG 4.17Å |
| 243 | R | 88.1 | Confident | 68.3 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -162 | 154 | 178.9 | 52.7 | -171.6 | 146.4 | -156.2 | -3.5 | 110.5 | S215 C216 G217 G292 | S215-R243 VanDerWaalsContact O-CG 3.28Å; S215-R243 WeakPolarHBondContact O-CG 3.36Å; S215-R243 PolarHBondContact O-NE 2.73Å; C216-R243 CarbonylContact C-O 3.54Å; C216-R243 VanDerWaalsContact CA-O 3.27Å; C216-R243 WeakPolarHBondContact CA-O 3.35Å; C216-R243 HydrophobicContact CB-CG 3.85Å; G217-R243 PolarHBondContact N-O 3.27Å; R243-G292 PolarHBondContact NH1-O 2.67Å |
| 244 | P | 86.4 | Confident | 66.7 | Low | 39 Ų | 39 | 89 Ų | 89 | 25% | 0.253 | 49% | 0.492 | S | S | . | . | trans | -63 | 148.6 | 168.6 | -17.8 | 32.3 | 0 | 0 | 0 | 111.7 | Y267 Y290 | P244-Y267 VanDerWaalsContact CD-OH 3.3Å; P244-Y267 WeakPolarHBondContact CD-OH 3.43Å; P244-Y290 HydrophobicContact CG-CD2 4.2Å; P244-Y290 HydrophobicContact CG-CE1 4.45Å; P244-Y290 HydrophobicContact CG-CE2 3.84Å | ||
| 245 | C | 81.5 | Confident | 65.6 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 136.4 | 167.7 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | C216 G217 | C216-C245 HydrophobicContact CB-CB 4.1Å; C216-C245 WeakPolarHBondContact CB-SG 3.15Å; C216-C245 WeakPolarHBondContact SG-CB 3.28Å; C216-C245 CovalentContact SG-SG 2.06Å; C216-C245 PolarHBondContact SG-SG 3Å; G217-C245 PolarHBondContact N-SG 2.91Å |
| 246 | G | 68.1 | Low | 64.2 | Low | 83 Ų | 83 | 94.1 Ų | 94.1 | 86% | 0.856 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 8.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | V248 | G246-V248 PolarHBondContact O-N 3.46Š|
| 247 | A | 55.3 | Low | 62.2 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | trans | -80 | 105 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q249 | A247-Q249 PolarHBondContact O-N 2.97Š| ||
| 248 | V | 44.3 | Very low | 60.6 | Low | 141 Ų | 141 | 103.6 Ų | 103.6 | 86% | 0.855 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122.7 | 158.6 | 176.3 | 0 | 0 | 0 | 0 | 107.3 | G246 | G246-V248 PolarHBondContact O-N 3.46Š|
| 249 | Q | 49.6 | Very low | 58.5 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.5 | -177.5 | -60 | 179.7 | 19 | 0 | 0 | 110.1 | A247 A251 | A247-Q249 PolarHBondContact O-N 2.97Å; Q249-A251 PolarHBondContact O-N 1.97Å |
| 250 | P | 41.2 | Very low | 56.2 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 84% | 0.844 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 127.1 | 158.1 | 3.7 | 6.8 | 0 | 0 | 0 | 108.1 | ||
| 251 | A | 39.5 | Very low | 54.3 | Low | 91 Ų | 91 | 120.6 Ų | 120.6 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -49 | 143.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | Q249 R253 | Q249-A251 PolarHBondContact O-N 1.97Å; A251-R253 PolarHBondContact O-N 2.85Å; A251-R253 VanDerWaalsContact O-N 3.07Å |
| 252 | L | 45.1 | Very low | 52.6 | Low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | trans | -29.5 | 100.2 | 164.8 | -168.8 | 78.3 | 0 | 0 | 0 | 113.7 | ||||
| 253 | R | 40 | Very low | 51 | Low | 246 Ų | 246 | 127.4 Ų | 127.4 | 93% | 0.928 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 118.6 | 159.6 | -78.3 | -168.9 | 167.4 | 176 | -2.5 | 108.8 | A251 | A251-R253 PolarHBondContact O-N 2.85Å; A251-R253 VanDerWaalsContact O-N 3.07Å |
| 254 | K | 35 | Very low | 49.6 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 139.8 | -179 | -69.4 | 178 | 178.1 | 179 | 0 | 112 | ||
| 255 | P | 39.2 | Very low | 48.4 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 130.3 | -175.7 | 28.7 | -31.9 | 0 | 0 | 0 | 112.2 | ||
| 256 | R | 38.8 | Very low | 48.4 | Very low | 235 Ų | 235 | 128.8 Ų | 128.8 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.9 | 152.2 | -76.4 | -174.8 | 174.9 | -176.7 | -1.8 | 108.4 | ||
| 257 | R | 37.3 | Very low | 49.1 | Very low | 255 Ų | 255 | 129 Ų | 129 | 96% | 0.962 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -64.3 | 140.3 | 179.1 | -67.3 | -179.2 | -160.5 | -141.1 | 2.1 | 109.8 | ||
| 258 | G | 43.6 | Very low | 50.6 | Low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | 123.5 | 18.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 259 | Q | 43.8 | Very low | 52.6 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | trans | -137.6 | 86.8 | 172.1 | -70.4 | -171.5 | -12.6 | 0 | 0 | 111.4 | ||||
| 260 | Q | 38.3 | Very low | 54 | Low | 207 Ų | 207 | 127 Ų | 127 | 97% | 0.967 | 64% | 0.639 | S | S | * | * | trans | -77.4 | 120.9 | 163.4 | -91.8 | 155.3 | -46.9 | 0 | 0 | 108.3 | ||||
| 261 | G | 47.3 | Very low | 56.1 | Low | 63 Ų | 63 | 121.9 Ų | 121.9 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 130.2 | -13.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 262 | W | 51.6 | Low | 58.5 | Low | 205 Ų | 205 | 122 Ų | 122 | 78% | 0.777 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -104.3 | 133.1 | 179.7 | -75.8 | 7.7 | 0 | 0 | 0 | 112 | K264 | W262-K264 VanDerWaalsContact C-N 3.35Å; W262-K264 PolarHBondContact O-N 2.9Å |
| 263 | C | 56.1 | Low | 60.5 | Low | 12 Ų | 12 | 116.9 Ų | 116.9 | 8% | 0.081 | 58% | 0.576 | C | S | . | * | trans | -64.3 | 97.5 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | A265 S266 C300 C330 | C263-A265 PolarHBondContact O-N 3.35Å; C263-S266 PolarHBondContact O-N 2.84Å; C263-C300 HydrophobicContact CB-CB 4.45Å; C263-C300 WeakPolarHBondContact CB-SG 3.23Å; C263-C300 WeakPolarHBondContact SG-CB 3.48Å; C263-C300 CovalentContact SG-SG 2.06Å; C263-C300 PolarHBondContact SG-SG 2.95Å; C263-C330 HydrophobicContact CB-CB 4.39Å; C263-C330 WeakPolarHBondContact CB-O 3.37Å | ||
| 264 | K | 59.3 | Low | 62.8 | Low | 133 Ų | 133 | 112 Ų | 112 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -5.9 | -179.6 | -70.9 | -177.3 | 177.9 | 177.4 | 0 | 113.8 | W262 | W262-K264 VanDerWaalsContact C-N 3.35Å; W262-K264 PolarHBondContact O-N 2.9Å |
| 265 | A | 61.9 | Low | 65.3 | Low | 28 Ų | 28 | 103.8 Ų | 103.8 | 23% | 0.231 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 18.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | C263 G292 Q293 | C263-A265 PolarHBondContact O-N 3.35Å; A265-G292 WeakPolarHBondContact O-CA 2.93Å; A265-G292 PolarHBondContact O-N 3.35Å; A265-Q293 WeakPolarHBondContact CB-O 3.4Å |
| 266 | S | 80.3 | Confident | 67.4 | Low | 36 Ų | 36 | 103.1 Ų | 103.1 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 133.5 | 163.4 | 79.6 | 0 | 0 | 0 | 0 | 109.9 | C263 R289 Y290 | C263-S266 PolarHBondContact O-N 2.84Å; S266-R289 PolarHBondContact OG-NH1 2.88Å; S266-Y290 CarbonylContact C-O 3.58Å; S266-Y290 VanDerWaalsContact CA-O 3.23Å; S266-Y290 WeakPolarHBondContact CA-O 3.33Å |
| 267 | Y | 84.2 | Confident | 69.5 | Low | 87 Ų | 87 | 93.5 Ų | 93.5 | 34% | 0.341 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.7 | -179.8 | 67 | -81 | 0 | 0 | 0 | 110.6 | P244 R289 Y290 | P244-Y267 VanDerWaalsContact CD-OH 3.3Å; P244-Y267 WeakPolarHBondContact CD-OH 3.43Å; Y267-R289 CarbonylContact O-C 3.48Å; Y267-R289 WeakPolarHBondContact O-CA 3.35Å; Y267-Y290 HydrophobicContact CD2-CD2 4.35Å; Y267-Y290 AromaticContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CG 4.38Å; Y267-Y290 AromaticContact CZ-CD2 3.96Å; Y267-Y290 PolarHBondContact N-O 3.46Å; Y267-Y290 PolarHBondContact O-N 2.91Å |
| 268 | R | 86.6 | Confident | 71.8 | Confident | 129 Ų | 129 | 89.3 Ų | 89.3 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 155.1 | 175.1 | -66.9 | -178.3 | -176.6 | -107.9 | 5.8 | 110.1 | L288 | R268-L288 CarbonylContact C-O 3.55Å; R268-L288 VanDerWaalsContact CA-O 3.26Å; R268-L288 WeakPolarHBondContact CA-O 3.32Å |
| 269 | S | 85.4 | Confident | 73.6 | Confident | 4 Ų | 4 | 87.6 Ų | 87.6 | 3% | 0.028 | 46% | 0.455 | C | S | . | . | trans | -55.7 | 145.8 | 167.3 | 56.4 | 0 | 0 | 0 | 0 | 110 | G271 L288 | S269-G271 WeakPolarHBondContact CB-O 3.27Å; S269-G271 PolarHBondContact O-N 2.95Å; S269-G271 PolarHBondContact OG-O 2.79Å; S269-L288 PolarHBondContact N-O 2.97Å; S269-L288 PolarHBondContact OG-N 3.19Å | ||
| 270 | P | 80.4 | Confident | 75.5 | Confident | 145 Ų | 145 | 81.8 Ų | 81.8 | 94% | 0.942 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -54.4 | -25.9 | -178.8 | -27.4 | 34.6 | 0 | 0 | 0 | 114.2 | ||
| 271 | G | 84 | Confident | 77.9 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 24% | 0.237 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -159.8 | -172.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S269 I273 | S269-G271 WeakPolarHBondContact CB-O 3.27Å; S269-G271 PolarHBondContact O-N 2.95Å; S269-G271 PolarHBondContact OG-O 2.79Å; G271-I273 PolarHBondContact O-N 3.4Å |
| 272 | P | 89.8 | Confident | 79.9 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 60% | 0.604 | 37% | 0.373 | S | S | * | . | trans | -61.5 | 127.5 | 171.1 | -20.3 | 33.2 | 0 | 0 | 0 | 110.6 | A285 | P272-A285 HydrophobicContact CB-CB 3.71Š| ||
| 273 | I | 87.1 | Confident | 81.7 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 28% | 0.282 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -120 | 150.9 | 179.4 | 57.9 | 166.4 | 0 | 0 | 0 | 110.7 | G271 A285 Y286 L288 Y290 | G271-I273 PolarHBondContact O-N 3.4Å; I273-A285 CarbonylContact O-C 3.56Å; I273-A285 WeakPolarHBondContact O-CA 3.23Å; I273-Y286 WeakPolarHBondContact CG1-O 3.17Å; I273-Y286 PolarHBondContact N-O 2.81Å; I273-Y286 PolarHBondContact O-N 2.91Å; I273-L288 HydrophobicContact CD1-CD1 4.28Å; I273-Y290 VanDerWaalsContact CD1-OH 3.32Å; I273-Y290 WeakPolarHBondContact CD1-OH 2.85Å |
| 274 | R | 88.4 | Confident | 83.4 | Confident | 145 Ų | 145 | 71.4 Ų | 71.4 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | trans | -81.4 | 138.3 | 169.6 | -69.8 | -173.8 | 180 | -116.7 | 3.6 | 110.2 | S282 T283 A285 | R274-S282 WeakPolarHBondContact CA-OG 3.44Å; R274-S282 PolarHBondContact NH1-O 2.83Å; R274-T283 PolarHBondContact NH1-O 3.19Å; R274-T283 VanDerWaalsContact NH1-O 3.11Å; R274-A285 HydrophobicContact CG-CB 4.41Å | ||
| 275 | L | 87 | Confident | 84.9 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | trans | -82.5 | 147 | 175.1 | -50.8 | -174.6 | 0 | 0 | 0 | 109.2 | F281 S282 Y286 L288 V310 F312 V324 | L275-F281 CarbonylContact O-C 3.52Å; L275-F281 WeakPolarHBondContact O-CA 3.3Å; L275-S282 PolarHBondContact N-OG 2.87Å; L275-S282 PolarHBondContact O-N 3.39Å; L275-Y286 HydrophobicContact CD1-CD2 4.21Å; L275-Y286 HydrophobicContact CG-CD2 4.18Å; L275-L288 HydrophobicContact CD2-CD1 3.46Å; L275-L288 VanDerWaalsContact CD2-CD1 3.46Å; L275-L288 HydrophobicContact CD2-CD2 4.38Å; L275-L288 HydrophobicContact CD2-CG 4.09Å; L275-V310 HydrophobicContact CD1-CG1 4.38Å; L275-V310 HydrophobicContact CD1-CG2 4.34Å; L275-F312 HydrophobicContact CB-CE1 3.77Å; L275-F312 HydrophobicContact CB-CZ 3.98Å; L275-V324 HydrophobicContact CD1-CG1 3.99Å; L275-V324 HydrophobicContact CD1-CG2 4.44Å | ||
| 276 | V | 85.2 | Confident | 86.3 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.2 | -179.1 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | C280 F281 | V276-C280 WeakPolarHBondContact CA-O 3.46Å; V276-F281 HydrophobicContact CG1-CE1 4.43Å; V276-F281 HydrophobicContact CG2-CD1 3.65Å; V276-F281 HydrophobicContact CG2-CE1 3.61Å |
| 277 | H | 82.9 | Confident | 86.7 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 117.7 | 176.4 | 179.9 | 63.4 | 0 | 0 | 0 | 109.7 | L239 G279 C280 F312 | L239-H277 HydrophobicContact CD1-CB 4.16Å; H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 PolarHBondContact O-N 2.88Å; H277-C280 PolarHBondContact N-O 3.3Å; H277-C280 WeakPolarHBondContact O-CB 3.48Å; H277-C280 PolarHBondContact O-N 2.91Å; H277-F312 HydrophobicContact CB-CD1 4.21Å; H277-F312 HydrophobicContact CB-CE1 3.91Å; H277-F312 HydrophobicContact CB-CZ 4.28Å |
| 278 | H | 83.6 | Confident | 87.1 | Confident | 168 Ų | 168 | 68.4 Ų | 68.4 | 78% | 0.778 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | 46.2 | -176.1 | -60.8 | -76.4 | 0 | 0 | 0 | 114.1 | C280 | H278-C280 PolarHBondContact O-N 2.81Š|
| 279 | G | 82 | Confident | 87.2 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -0.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H277 | H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 PolarHBondContact O-N 2.88Å |
| 280 | C | 84.3 | Confident | 87.5 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.8 | 172.6 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | V276 H277 H278 F312 C314 | V276-C280 WeakPolarHBondContact CA-O 3.46Å; H277-C280 PolarHBondContact N-O 3.3Å; H277-C280 WeakPolarHBondContact O-CB 3.48Å; H277-C280 PolarHBondContact O-N 2.91Å; H278-C280 PolarHBondContact O-N 2.81Å; C280-F312 HydrophobicContact CB-CB 3.96Å; C280-C314 HydrophobicContact CB-CB 3.98Å; C280-C314 WeakPolarHBondContact CB-SG 3.26Å; C280-C314 VanDerWaalsContact SG-CA 3.59Å; C280-C314 WeakPolarHBondContact SG-CB 3.24Å; C280-C314 CovalentContact SG-SG 2.04Å; C280-C314 PolarHBondContact SG-SG 2.79Å |
| 281 | F | 87.8 | Confident | 87.9 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 44% | 0.443 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.3 | -176.4 | -62.9 | -91.7 | 0 | 0 | 0 | 111.2 | L275 V276 F312 R313 | L275-F281 CarbonylContact O-C 3.52Å; L275-F281 WeakPolarHBondContact O-CA 3.3Å; V276-F281 HydrophobicContact CG1-CE1 4.43Å; V276-F281 HydrophobicContact CG2-CD1 3.65Å; V276-F281 HydrophobicContact CG2-CE1 3.61Å; F281-F312 CarbonylContact O-C 3.53Å; F281-F312 WeakPolarHBondContact O-CA 3.33Å; F281-R313 PolarHBondContact N-O 3.16Å; F281-R313 PolarHBondContact O-N 2.78Å |
| 282 | S | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 141.5 | 174.9 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | R274 L275 Q284 T311 | R274-S282 WeakPolarHBondContact CA-OG 3.44Å; R274-S282 PolarHBondContact NH1-O 2.83Å; L275-S282 PolarHBondContact N-OG 2.87Å; L275-S282 PolarHBondContact O-N 3.39Å; S282-Q284 VanDerWaalsContact C-N 3.3Å; S282-Q284 WeakPolarHBondContact CB-O 3.46Å; S282-Q284 PolarHBondContact O-N 2.9Å; S282-Q284 PolarHBondContact OG-O 3.28Å; S282-T311 WeakPolarHBondContact CA-O 3.03Å |
| 283 | T | 90.1 | Very high | 87.5 | Confident | 48 Ų | 48 | 59 Ų | 59 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -65.6 | -37.4 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | R274 T311 R313 L319 | R274-T283 PolarHBondContact NH1-O 3.19Å; R274-T283 VanDerWaalsContact NH1-O 3.11Å; T283-T311 HydrophobicContact CG2-CG2 4.14Å; T283-T311 PolarHBondContact N-O 3.04Å; T283-T311 PolarHBondContact OG1-O 3.05Å; T283-R313 HydrophobicContact CG2-CB 4.27Å; T283-L319 HydrophobicContact CG2-CD2 4.4Å |
| 284 | Q | 90.7 | Very high | 87.2 | Confident | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -103.6 | 155.3 | 175.6 | -64.8 | 177.3 | -50.1 | 0 | 0 | 111.5 | S282 Y286 | S282-Q284 VanDerWaalsContact C-N 3.3Å; S282-Q284 WeakPolarHBondContact CB-O 3.46Å; S282-Q284 PolarHBondContact O-N 2.9Å; S282-Q284 PolarHBondContact OG-O 3.28Å; Q284-Y286 HydrophobicContact CB-CE2 3.89Å; Q284-Y286 WeakPolarHBondContact O-CD2 3.24Å; Q284-Y286 WeakPolarHBondContact O-CE2 3.36Å; Q284-Y286 PolarHBondContact OE1-OH 3.33Å |
| 285 | A | 92 | Very high | 86.5 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 44% | 0.438 | 31% | 0.305 | S | S | . | . | trans | -93.1 | 142.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P272 I273 R274 | P272-A285 HydrophobicContact CB-CB 3.71Å; I273-A285 CarbonylContact O-C 3.56Å; I273-A285 WeakPolarHBondContact O-CA 3.23Å; R274-A285 HydrophobicContact CG-CB 4.41Å | ||
| 286 | Y | 90.3 | Very high | 85.8 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 135.4 | -175.7 | -66 | -95.5 | 0 | 0 | 0 | 110 | I273 L275 Q284 L288 V310 M326 | I273-Y286 WeakPolarHBondContact CG1-O 3.17Å; I273-Y286 PolarHBondContact N-O 2.81Å; I273-Y286 PolarHBondContact O-N 2.91Å; L275-Y286 HydrophobicContact CD1-CD2 4.21Å; L275-Y286 HydrophobicContact CG-CD2 4.18Å; Q284-Y286 HydrophobicContact CB-CE2 3.89Å; Q284-Y286 WeakPolarHBondContact O-CD2 3.24Å; Q284-Y286 WeakPolarHBondContact O-CE2 3.36Å; Q284-Y286 PolarHBondContact OE1-OH 3.33Å; Y286-L288 PolarHBondContact O-N 2.88Å; Y286-V310 HydrophobicContact CE1-CG2 4.4Å; Y286-V310 HydrophobicContact CE2-CG1 3.87Å; Y286-V310 HydrophobicContact CE2-CG2 4.3Å; Y286-M326 HydrophobicContact CD1-CE 3.81Å; Y286-M326 HydrophobicContact CE1-CE 4.03Å; Y286-M326 HydrophobicContact CG-CE 4.42Å |
| 287 | Q | 89.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | trans | -87.2 | 96.2 | 169.7 | -167.3 | 179.3 | 21.8 | 0 | 0 | 109.2 | ||||
| 288 | L | 91 | Very high | 85.1 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | trans | -81.4 | 149.9 | -176.1 | -65.6 | -171.2 | 0 | 0 | 0 | 112.1 | R268 S269 I273 L275 Y286 Y290 M326 | R268-L288 CarbonylContact C-O 3.55Å; R268-L288 VanDerWaalsContact CA-O 3.26Å; R268-L288 WeakPolarHBondContact CA-O 3.32Å; S269-L288 PolarHBondContact N-O 2.97Å; S269-L288 PolarHBondContact OG-N 3.19Å; I273-L288 HydrophobicContact CD1-CD1 4.28Å; L275-L288 HydrophobicContact CD2-CD1 3.46Å; L275-L288 VanDerWaalsContact CD2-CD1 3.46Å; L275-L288 HydrophobicContact CD2-CD2 4.38Å; L275-L288 HydrophobicContact CD2-CG 4.09Å; Y286-L288 PolarHBondContact O-N 2.88Å; L288-Y290 HydrophobicContact CB-CE1 4.18Å; L288-Y290 HydrophobicContact CB-CE2 4.33Å; L288-Y290 HydrophobicContact CD1-CE1 4.08Å; L288-M326 HydrophobicContact CD2-SD 3.72Å | ||
| 289 | R | 90.6 | Very high | 85 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.8 | 164.6 | -176.4 | 178.8 | -72.1 | -112 | 8.1 | 109.3 | S266 Y267 I327 H328 | S266-R289 PolarHBondContact OG-NH1 2.88Å; Y267-R289 CarbonylContact O-C 3.48Å; Y267-R289 WeakPolarHBondContact O-CA 3.35Å; R289-I327 HydrophobicContact CB-CB 4.44Å; R289-I327 WeakPolarHBondContact CB-O 3.5Å; R289-H328 VanDerWaalsContact CD-O 3.24Å; R289-H328 WeakPolarHBondContact CD-O 3.35Å; R289-H328 PolarHBondContact NE-O 2.77Å |
| 290 | Y | 91.1 | Very high | 85.1 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 153.1 | 178.5 | -62.3 | -57.3 | 0 | 0 | 0 | 110.9 | K241 V242 P244 S266 Y267 I273 L288 | K241-Y290 HydrophobicContact CD-CE1 4.09Å; K241-Y290 HydrophobicContact CG-CE1 3.89Å; V242-Y290 WeakPolarHBondContact O-CA 3.33Å; V242-Y290 WeakPolarHBondContact O-CB 3.46Å; P244-Y290 HydrophobicContact CG-CD2 4.2Å; P244-Y290 HydrophobicContact CG-CE1 4.45Å; P244-Y290 HydrophobicContact CG-CE2 3.84Å; S266-Y290 CarbonylContact C-O 3.58Å; S266-Y290 VanDerWaalsContact CA-O 3.23Å; S266-Y290 WeakPolarHBondContact CA-O 3.33Å; Y267-Y290 HydrophobicContact CD2-CD2 4.35Å; Y267-Y290 AromaticContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CD2 3.72Å; Y267-Y290 HydrophobicContact CE2-CG 4.38Å; Y267-Y290 AromaticContact CZ-CD2 3.96Å; Y267-Y290 PolarHBondContact N-O 3.46Å; Y267-Y290 PolarHBondContact O-N 2.91Å; I273-Y290 VanDerWaalsContact CD1-OH 3.32Å; I273-Y290 WeakPolarHBondContact CD1-OH 2.85Å; L288-Y290 HydrophobicContact CB-CE1 4.18Å; L288-Y290 HydrophobicContact CB-CE2 4.33Å; L288-Y290 HydrophobicContact CD1-CE1 4.08Å |
| 291 | C | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.5 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | V242 C330 | V242-C291 HydrophobicContact CG1-CB 3.89Å; V242-C291 PolarHBondContact O-N 3.4Å; C291-C330 WeakPolarHBondContact CA-SG 3.32Å; C291-C330 HydrophobicContact CB-CB 3.77Å; C291-C330 WeakPolarHBondContact CB-SG 3.1Å; C291-C330 WeakPolarHBondContact SG-CB 3.47Å; C291-C330 CovalentContact SG-SG 2.04Å; C291-C330 PolarHBondContact SG-SG 3.13Å |
| 292 | G | 84.9 | Confident | 85.3 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | trans | -91.6 | -134.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R243 A265 | R243-G292 PolarHBondContact NH1-O 2.67Å; A265-G292 WeakPolarHBondContact O-CA 2.93Å; A265-G292 PolarHBondContact O-N 3.35Å | ||
| 293 | Q | 80 | Confident | 85.1 | Confident | 116 Ų | 116 | 58 Ų | 58 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | trans | -120.8 | 144.1 | -175.5 | -62.1 | -179.4 | 13.9 | 0 | 0 | 111 | A265 | A265-Q293 WeakPolarHBondContact CB-O 3.4Š| ||
| 294 | C | 81.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -75.5 | 154.4 | 171.7 | -51.8 | 0 | 0 | 0 | 0 | 109 | D296 R298 C299 C300 C332 | C294-D296 WeakPolarHBondContact CB-OD1 3.38Å; C294-D296 PolarHBondContact O-N 2.82Å; C294-R298 HydrophobicContact CB-CB 4.15Å; C294-R298 WeakPolarHBondContact CB-O 3.4Å; C294-C299 VanDerWaalsContact SG-C 3.57Å; C294-C300 VanDerWaalsContact SG-CB 3.52Å; C294-C300 PolarHBondContact SG-N 2.82Å; C294-C332 HydrophobicContact CB-CB 4Å; C294-C332 WeakPolarHBondContact CB-SG 3.32Å; C294-C332 VanDerWaalsContact SG-CA 3.58Å; C294-C332 WeakPolarHBondContact SG-CB 3.41Å; C294-C332 CovalentContact SG-SG 2.02Å; C294-C332 PolarHBondContact SG-SG 2.02Å | ||
| 295 | S | 72.8 | Confident | 85.1 | Confident | 125 Ų | 125 | 57.8 Ų | 57.8 | 87% | 0.874 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -73.7 | -6.7 | 177.7 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 296 | D | 73.9 | Confident | 85.1 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -119.7 | -174.3 | 179.9 | 54.8 | 2.8 | 0 | 0 | 0 | 110.8 | C294 R298 | C294-D296 WeakPolarHBondContact CB-OD1 3.38Å; C294-D296 PolarHBondContact O-N 2.82Å; D296-R298 PolarHBondContact O-N 2.78Å; D296-R298 WeakPolarHBondContact OD1-CB 3.29Å; D296-R298 IonicContact OD1-NE 3.76Å; D296-R298 PolarHBondContact OD1-NE 3.41Å; D296-R298 IonicContact OD1-NH2 3.89Å; D296-R298 IonicContact OD2-CZ 3.8Å; D296-R298 IonicContact OD2-NE 2.76Å; D296-R298 PolarHBondContact OD2-NE 3.45Å; D296-R298 IonicContact OD2-NH2 3.9Å; D296-R298 PolarHBondContact OD2-NH2 2.86Å |
| 297 | S | 73.5 | Confident | 85.2 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 86% | 0.86 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -71.8 | 14.5 | -179.5 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 298 | R | 79.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 54.4 Ų | 54.4 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 152.8 | 178.5 | -71.8 | -173.5 | -66.3 | 164.1 | -9.5 | 112 | C294 D296 C332 H333 N334 | C294-R298 HydrophobicContact CB-CB 4.15Å; C294-R298 WeakPolarHBondContact CB-O 3.4Å; D296-R298 PolarHBondContact O-N 2.78Å; D296-R298 WeakPolarHBondContact OD1-CB 3.29Å; D296-R298 IonicContact OD1-NE 3.76Å; D296-R298 PolarHBondContact OD1-NE 3.41Å; D296-R298 IonicContact OD1-NH2 3.89Å; D296-R298 IonicContact OD2-CZ 3.8Å; D296-R298 IonicContact OD2-NE 2.76Å; D296-R298 PolarHBondContact OD2-NE 3.45Å; D296-R298 IonicContact OD2-NH2 3.9Å; D296-R298 PolarHBondContact OD2-NH2 2.86Å; R298-C332 HydrophobicContact CB-CB 4.27Å; R298-C332 PolarHBondContact NH1-O 3.24Å; R298-H333 WeakPolarHBondContact CB-O 3.36Å; R298-N334 WeakPolarHBondContact CD-OD1 3.47Å; R298-N334 WeakPolarHBondContact CG-OD1 3.4Å |
| 299 | C | 80.3 | Confident | 85.2 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 14% | 0.142 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 141.2 | 167.6 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | C294 C332 H333 C336 | C294-C299 VanDerWaalsContact SG-C 3.57Å; C299-C332 WeakPolarHBondContact O-CA 3.36Å; C299-H333 PolarHBondContact N-O 3.05Å; C299-H333 PolarHBondContact O-N 3.25Å; C299-H333 PolarHBondContact SG-O 2.98Å; C299-C336 HydrophobicContact CB-CB 3.84Å; C299-C336 WeakPolarHBondContact CB-SG 3.45Å; C299-C336 PolarHBondContact N-SG 3.32Å; C299-C336 VanDerWaalsContact N-SG 3.45Å; C299-C336 WeakPolarHBondContact SG-CA 2.97Å; C299-C336 WeakPolarHBondContact SG-CB 3.04Å; C299-C336 CovalentContact SG-SG 2.04Å; C299-C336 PolarHBondContact SG-SG 3.29Å |
| 300 | C | 85.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.7 | 169 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | C263 C294 C330 V331 | C263-C300 HydrophobicContact CB-CB 4.45Å; C263-C300 WeakPolarHBondContact CB-SG 3.23Å; C263-C300 WeakPolarHBondContact SG-CB 3.48Å; C263-C300 CovalentContact SG-SG 2.06Å; C263-C300 PolarHBondContact SG-SG 2.95Å; C294-C300 VanDerWaalsContact SG-CB 3.52Å; C294-C300 PolarHBondContact SG-N 2.82Å; C300-C330 WeakPolarHBondContact SG-CB 3.47Å; C300-V331 WeakPolarHBondContact CA-O 3.07Å |
| 301 | T | 86.3 | Confident | 84.9 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 162 | 179.6 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | H303 C330 V331 H333 P337 | T301-H303 PolarHBondContact O-N 3.07Å; T301-C330 CarbonylContact O-C 3.53Å; T301-C330 WeakPolarHBondContact O-CA 3.44Å; T301-C330 WeakPolarHBondContact O-CB 3.49Å; T301-V331 PolarHBondContact N-O 3.03Å; T301-V331 PolarHBondContact O-N 3.18Å; T301-H333 VanDerWaalsContact CG2-NE2 3.25Å; T301-H333 WeakPolarHBondContact CG2-NE2 3.45Å; T301-H333 PolarHBondContact OG1-CD2 2.89Å; T301-H333 PolarHBondContact OG1-NE2 2.82Å; T301-P337 HydrophobicContact CG2-CG 4.1Å |
| 302 | P | 89.9 | Confident | 84.9 | Confident | 32 Ų | 32 | 58 Ų | 58 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 131.2 | 175.1 | -19.3 | 32.4 | 0 | 0 | 0 | 111.4 | V242 T305 M325 I327 | V242-P302 HydrophobicContact CG1-CG 4.43Å; V242-P302 HydrophobicContact CG2-CG 4.17Å; P302-T305 HydrophobicContact CB-CG2 3.58Å; P302-M325 HydrophobicContact CG-CE 4.07Å; P302-I327 HydrophobicContact CB-CD1 4.37Å; P302-I327 HydrophobicContact CB-CG1 4.28Å; P302-I327 HydrophobicContact CB-CG2 4.36Å; P302-I327 HydrophobicContact CG-CD1 3.97Å; P302-I327 HydrophobicContact CG-CG1 4.37Å |
| 303 | H | 85.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.616 | 35% | 0.351 | S | S | * | . | trans | -105.2 | -69.6 | 177.6 | -178.7 | -105.5 | 0 | 0 | 0 | 110.5 | T301 S329 V331 | T301-H303 PolarHBondContact O-N 3.07Å; H303-S329 PolarHBondContact N-O 2.77Å; H303-V331 HydrophobicContact CB-CB 4.03Å; H303-V331 HydrophobicContact CB-CG1 3.8Å | ||
| 304 | Q | 89.3 | Confident | 85.1 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 58% | 0.575 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -92.4 | 120.5 | 174.5 | -163 | 176.3 | 24.6 | 0 | 0 | 109.5 | H328 S329 | Q304-H328 HydrophobicContact CB-CB 4.23Å; Q304-H328 HydrophobicContact CG-CB 4.34Å; Q304-H328 WeakPolarHBondContact O-CB 3.45Å; Q304-H328 PolarHBondContact O-N 3.43Å; Q304-S329 WeakPolarHBondContact CB-OG 3.44Å; Q304-S329 PolarHBondContact N-OG 2.96Å; Q304-S329 PolarHBondContact O-N 3.34Å |
| 305 | T | 91.3 | Very high | 85.3 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.8 | 179.4 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | R238 P302 M325 M326 I327 | R238-T305 PolarHBondContact NH2-OG1 2.78Å; P302-T305 HydrophobicContact CB-CG2 3.58Å; T305-M325 HydrophobicContact CG2-CG 4.04Å; T305-M325 HydrophobicContact CG2-SD 3.93Å; T305-M326 CarbonylContact C-O 3.54Å; T305-M326 VanDerWaalsContact CA-O 3.23Å; T305-M326 WeakPolarHBondContact CA-O 3.34Å; T305-I327 HydrophobicContact CG2-CG1 4.47Å |
| 306 | S | 92.3 | Very high | 85.8 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 167.1 | 166.2 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | R238 M325 M326 H328 | R238-S306 PolarHBondContact NH1-O 3.31Å; S306-M325 WeakPolarHBondContact O-CA 3.43Å; S306-M326 PolarHBondContact N-O 2.63Å; S306-M326 PolarHBondContact O-N 2.04Å; S306-H328 WeakPolarHBondContact CB-NE2 3.05Å; S306-H328 PolarHBondContact OG-NE2 3.49Å |
| 307 | T | 91.3 | Very high | 86.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.7 | 175.3 | -58 | 0 | 0 | 0 | 0 | 108.6 | R238 A323 V324 | R238-T307 HydrophobicContact CB-CG2 4.34Å; R238-T307 VanDerWaalsContact CD-OG1 3.29Å; R238-T307 WeakPolarHBondContact CD-OG1 3.41Å; R238-T307 PolarHBondContact NH1-OG1 2.96Å; T307-A323 HydrophobicContact CG2-CB 3.68Å; T307-V324 WeakPolarHBondContact CA-O 3.34Å |
| 308 | A | 90 | Very high | 86.5 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | V310 V324 M326 | A308-V310 HydrophobicContact CB-CG2 4.46Å; A308-V310 PolarHBondContact O-N 2.74Å; A308-V324 PolarHBondContact N-O 3.44Å; A308-V324 PolarHBondContact O-N 2.85Å; A308-M326 HydrophobicContact CB-CE 3.58Å; A308-M326 HydrophobicContact CB-CG 3.81Å |
| 309 | Q | 90.2 | Very high | 86.6 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 108.6 | 172.4 | -66.9 | -63.4 | -15 | 0 | 0 | 109.4 | Q321 | Q309-Q321 HydrophobicContact CB-CG 4.21Å |
| 310 | V | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.9 | -176.2 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | L275 Y286 A308 F312 Q321 K322 V324 M326 | L275-V310 HydrophobicContact CD1-CG1 4.38Å; L275-V310 HydrophobicContact CD1-CG2 4.34Å; Y286-V310 HydrophobicContact CE1-CG2 4.4Å; Y286-V310 HydrophobicContact CE2-CG1 3.87Å; Y286-V310 HydrophobicContact CE2-CG2 4.3Å; A308-V310 HydrophobicContact CB-CG2 4.46Å; A308-V310 PolarHBondContact O-N 2.74Å; V310-F312 HydrophobicContact CB-CD2 4.45Å; V310-F312 HydrophobicContact CB-CE2 3.75Å; V310-F312 HydrophobicContact CB-CZ 4.31Å; V310-F312 HydrophobicContact CG1-CD2 4.11Å; V310-F312 HydrophobicContact CG1-CE2 3.59Å; V310-F312 HydrophobicContact CG1-CZ 3.88Å; V310-F312 WeakPolarHBondContact O-CD2 3.39Å; V310-Q321 WeakPolarHBondContact O-CA 3.48Å; V310-K322 PolarHBondContact N-O 2.85Å; V310-K322 PolarHBondContact O-N 2.9Å; V310-V324 HydrophobicContact CB-CG2 3.84Å; V310-V324 HydrophobicContact CG2-CB 3.91Å; V310-V324 HydrophobicContact CG2-CG2 3.66Å; V310-M326 HydrophobicContact CG2-CE 4.02Å |
| 311 | T | 88.5 | Confident | 86.6 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.282 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.4 | 173.6 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | S282 T283 L319 L320 | S282-T311 WeakPolarHBondContact CA-O 3.03Å; T283-T311 HydrophobicContact CG2-CG2 4.14Å; T283-T311 PolarHBondContact N-O 3.04Å; T283-T311 PolarHBondContact OG1-O 3.05Å; T311-L319 HydrophobicContact CG2-CB 4.23Å; T311-L319 HydrophobicContact CG2-CD2 4.31Å; T311-L320 CarbonylContact C-O 3.44Å; T311-L320 WeakPolarHBondContact CA-O 3.36Å |
| 312 | F | 88.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 1% | 0.013 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.4 | 177 | -66 | -100.4 | 0 | 0 | 0 | 109.9 | L275 H277 C280 F281 V310 L319 L320 K322 V324 | L275-F312 HydrophobicContact CB-CE1 3.77Å; L275-F312 HydrophobicContact CB-CZ 3.98Å; H277-F312 HydrophobicContact CB-CD1 4.21Å; H277-F312 HydrophobicContact CB-CE1 3.91Å; H277-F312 HydrophobicContact CB-CZ 4.28Å; C280-F312 HydrophobicContact CB-CB 3.96Å; F281-F312 CarbonylContact O-C 3.53Å; F281-F312 WeakPolarHBondContact O-CA 3.33Å; V310-F312 HydrophobicContact CB-CD2 4.45Å; V310-F312 HydrophobicContact CB-CE2 3.75Å; V310-F312 HydrophobicContact CB-CZ 4.31Å; V310-F312 HydrophobicContact CG1-CD2 4.11Å; V310-F312 HydrophobicContact CG1-CE2 3.59Å; V310-F312 HydrophobicContact CG1-CZ 3.88Å; V310-F312 WeakPolarHBondContact O-CD2 3.39Å; F312-L319 CarbonylContact O-C 3.55Å; F312-L319 VanDerWaalsContact O-CA 3.29Å; F312-L319 WeakPolarHBondContact O-CA 3.35Å; F312-L320 HydrophobicContact CB-CB 4.41Å; F312-L320 PolarHBondContact N-O 3.42Å; F312-L320 PolarHBondContact O-N 2.74Å; F312-K322 HydrophobicContact CD2-CB 4.33Å; F312-K322 HydrophobicContact CD2-CG 4.48Å; F312-K322 HydrophobicContact CE2-CB 4Å; F312-V324 HydrophobicContact CE2-CG2 4.28Å; F312-V324 HydrophobicContact CZ-CG2 4.3Å |
| 313 | R | 84.8 | Confident | 86.5 | Confident | 157 Ų | 157 | 76.6 Ų | 76.6 | 59% | 0.592 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.6 | 170.8 | -178.7 | 179 | -74 | 177.8 | -4.3 | 108.6 | F281 T283 L319 | F281-R313 PolarHBondContact N-O 3.16Å; F281-R313 PolarHBondContact O-N 2.78Å; T283-R313 HydrophobicContact CG2-CB 4.27Å; R313-L319 HydrophobicContact CB-CD2 3.91Å; R313-L319 HydrophobicContact CG-CD2 4.19Å |
| 314 | C | 84.2 | Confident | 86.7 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | trans | -89.7 | 161 | 177 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | C280 T316 G317 R318 L320 | C280-C314 HydrophobicContact CB-CB 3.98Å; C280-C314 WeakPolarHBondContact CB-SG 3.26Å; C280-C314 VanDerWaalsContact SG-CA 3.59Å; C280-C314 WeakPolarHBondContact SG-CB 3.24Å; C280-C314 CovalentContact SG-SG 2.04Å; C280-C314 PolarHBondContact SG-SG 2.79Å; C314-T316 PolarHBondContact O-N 3.12Å; C314-T316 VanDerWaalsContact O-N 3.13Å; C314-G317 PolarHBondContact O-N 2.85Å; C314-R318 PolarHBondContact N-O 2.73Å; C314-L320 VanDerWaalsContact SG-CD1 3.5Å | ||
| 315 | P | 84.3 | Confident | 86.9 | Confident | 116 Ų | 116 | 65.7 Ų | 65.7 | 75% | 0.753 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -28.7 | 176 | -26.1 | 35.1 | 0 | 0 | 0 | 113.7 | G317 | P315-G317 PolarHBondContact O-N 2.69Š|
| 316 | T | 84.4 | Confident | 87 | Confident | 124 Ų | 124 | 65 Ų | 65 | 76% | 0.761 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -0.7 | 176 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | C314 R318 | C314-T316 PolarHBondContact O-N 3.12Å; C314-T316 VanDerWaalsContact O-N 3.13Å; T316-R318 VanDerWaalsContact C-N 3.26Å; T316-R318 PolarHBondContact O-N 3.16Å |
| 317 | G | 79.9 | Confident | 87 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 82.9 | -10.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C314 P315 | C314-G317 PolarHBondContact O-N 2.85Å; P315-G317 PolarHBondContact O-N 2.69Å |
| 318 | R | 82.8 | Confident | 87 | Confident | 171 Ų | 171 | 64.9 Ų | 64.9 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | trans | -64 | 138.3 | 176.6 | -175.9 | 176.5 | 176.8 | -178.6 | -0.1 | 111.6 | C314 T316 L320 | C314-R318 PolarHBondContact N-O 2.73Å; T316-R318 VanDerWaalsContact C-N 3.26Å; T316-R318 PolarHBondContact O-N 3.16Å; R318-L320 HydrophobicContact CG-CD2 4.35Å | ||
| 319 | L | 80.4 | Confident | 86.8 | Confident | 101 Ų | 101 | 65.1 Ų | 65.1 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.5 | 170.2 | -60.8 | 179.1 | 0 | 0 | 0 | 110.6 | T283 T311 F312 R313 | T283-L319 HydrophobicContact CG2-CD2 4.4Å; T311-L319 HydrophobicContact CG2-CB 4.23Å; T311-L319 HydrophobicContact CG2-CD2 4.31Å; F312-L319 CarbonylContact O-C 3.55Å; F312-L319 VanDerWaalsContact O-CA 3.29Å; F312-L319 WeakPolarHBondContact O-CA 3.35Å; R313-L319 HydrophobicContact CB-CD2 3.91Å; R313-L319 HydrophobicContact CG-CD2 4.19Å |
| 320 | L | 81.9 | Confident | 86.8 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.1 | 177.1 | -64.4 | 175.4 | 0 | 0 | 0 | 109.5 | T311 F312 C314 R318 | T311-L320 CarbonylContact C-O 3.44Å; T311-L320 WeakPolarHBondContact CA-O 3.36Å; F312-L320 HydrophobicContact CB-CB 4.41Å; F312-L320 PolarHBondContact N-O 3.42Å; F312-L320 PolarHBondContact O-N 2.74Å; C314-L320 VanDerWaalsContact SG-CD1 3.5Å; R318-L320 HydrophobicContact CG-CD2 4.35Å |
| 321 | Q | 85.1 | Confident | 86.7 | Confident | 130 Ų | 130 | 62.7 Ų | 62.7 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.8 | 172.3 | -160.6 | 175.4 | 24 | 0 | 0 | 109.4 | Q309 V310 | Q309-Q321 HydrophobicContact CB-CG 4.21Å; V310-Q321 WeakPolarHBondContact O-CA 3.48Å |
| 322 | K | 85.1 | Confident | 86.5 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140 | 178.3 | -66.6 | -66.3 | -175.4 | -178.1 | 0 | 110.5 | L239 V310 F312 | L239-K322 HydrophobicContact CD1-CB 4.02Å; L239-K322 HydrophobicContact CD1-CG 4.39Å; V310-K322 PolarHBondContact N-O 2.85Å; V310-K322 PolarHBondContact O-N 2.9Å; F312-K322 HydrophobicContact CD2-CB 4.33Å; F312-K322 HydrophobicContact CD2-CG 4.48Å; F312-K322 HydrophobicContact CE2-CB 4Å |
| 323 | A | 86.9 | Confident | 86.1 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | R238 L239 T307 | R238-A323 CarbonylContact C-O 3.54Å; R238-A323 WeakPolarHBondContact CA-O 3.07Å; R238-A323 HydrophobicContact CB-CB 3.73Å; L239-A323 PolarHBondContact N-O 2.8Å; T307-A323 HydrophobicContact CG2-CB 3.68Å |
| 324 | V | 90.8 | Very high | 85.7 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L239 L275 T307 A308 V310 F312 M326 | L239-V324 HydrophobicContact CB-CG2 4.29Å; L239-V324 HydrophobicContact CD1-CG2 4.34Å; L239-V324 CarbonylContact O-C 3.51Å; L239-V324 WeakPolarHBondContact O-CA 3.4Å; L275-V324 HydrophobicContact CD1-CG1 3.99Å; L275-V324 HydrophobicContact CD1-CG2 4.44Å; T307-V324 WeakPolarHBondContact CA-O 3.34Å; A308-V324 PolarHBondContact N-O 3.44Å; A308-V324 PolarHBondContact O-N 2.85Å; V310-V324 HydrophobicContact CB-CG2 3.84Å; V310-V324 HydrophobicContact CG2-CB 3.91Å; V310-V324 HydrophobicContact CG2-CG2 3.66Å; F312-V324 HydrophobicContact CE2-CG2 4.28Å; F312-V324 HydrophobicContact CZ-CG2 4.3Å; V324-M326 HydrophobicContact CB-CE 4.4Å; V324-M326 HydrophobicContact CG1-CE 4.32Å |
| 325 | M | 93.8 | Very high | 85.3 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.069 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.8 | 175.3 | -176.7 | 177.6 | 78 | 0 | 0 | 111.3 | R238 L239 C240 P302 T305 S306 I327 | R238-M325 PolarHBondContact NH2-SD 3.01Å; R238-M325 VanDerWaalsContact NH2-SD 3.4Å; L239-M325 WeakPolarHBondContact O-CB 3.36Å; L239-M325 PolarHBondContact O-N 2.93Å; C240-M325 HydrophobicContact CB-CB 4.1Å; C240-M325 HydrophobicContact CB-CE 3.52Å; C240-M325 HydrophobicContact CB-SD 3.96Å; P302-M325 HydrophobicContact CG-CE 4.07Å; T305-M325 HydrophobicContact CG2-CG 4.04Å; T305-M325 HydrophobicContact CG2-SD 3.93Å; S306-M325 WeakPolarHBondContact O-CA 3.43Å; M325-I327 HydrophobicContact CE-CD1 3.9Å; M325-I327 HydrophobicContact CE-CG1 3.81Å |
| 326 | M | 93.4 | Very high | 84.8 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.3 | 171.6 | -58.9 | -60.1 | 177 | 0 | 0 | 109.1 | Y286 L288 T305 S306 A308 V310 V324 | Y286-M326 HydrophobicContact CD1-CE 3.81Å; Y286-M326 HydrophobicContact CE1-CE 4.03Å; Y286-M326 HydrophobicContact CG-CE 4.42Å; L288-M326 HydrophobicContact CD2-SD 3.72Å; T305-M326 CarbonylContact C-O 3.54Å; T305-M326 VanDerWaalsContact CA-O 3.23Å; T305-M326 WeakPolarHBondContact CA-O 3.34Å; S306-M326 PolarHBondContact N-O 2.63Å; S306-M326 PolarHBondContact O-N 2.04Å; A308-M326 HydrophobicContact CB-CE 3.58Å; A308-M326 HydrophobicContact CB-CG 3.81Å; V310-M326 HydrophobicContact CG2-CE 4.02Å; V324-M326 HydrophobicContact CB-CE 4.4Å; V324-M326 HydrophobicContact CG1-CE 4.32Å |
| 327 | I | 92.6 | Very high | 84.1 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.7 | -177.5 | -57.2 | 174.4 | 0 | 0 | 0 | 109.6 | R289 P302 T305 M325 | R289-I327 HydrophobicContact CB-CB 4.44Å; R289-I327 WeakPolarHBondContact CB-O 3.5Å; P302-I327 HydrophobicContact CB-CD1 4.37Å; P302-I327 HydrophobicContact CB-CG1 4.28Å; P302-I327 HydrophobicContact CB-CG2 4.36Å; P302-I327 HydrophobicContact CG-CD1 3.97Å; P302-I327 HydrophobicContact CG-CG1 4.37Å; T305-I327 HydrophobicContact CG2-CG1 4.47Å; M325-I327 HydrophobicContact CE-CD1 3.9Å; M325-I327 HydrophobicContact CE-CG1 3.81Å |
| 328 | H | 90.4 | Very high | 83.6 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | trans | -101.2 | -40.7 | 174.7 | -62 | -62.5 | 0 | 0 | 0 | 111.8 | R289 Q304 S306 | R289-H328 VanDerWaalsContact CD-O 3.24Å; R289-H328 WeakPolarHBondContact CD-O 3.35Å; R289-H328 PolarHBondContact NE-O 2.77Å; Q304-H328 HydrophobicContact CB-CB 4.23Å; Q304-H328 HydrophobicContact CG-CB 4.34Å; Q304-H328 WeakPolarHBondContact O-CB 3.45Å; Q304-H328 PolarHBondContact O-N 3.43Å; S306-H328 WeakPolarHBondContact CB-NE2 3.05Å; S306-H328 PolarHBondContact OG-NE2 3.49Å | ||
| 329 | S | 87.4 | Confident | 82.4 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | trans | -145 | 158 | 178.2 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | H303 Q304 | H303-S329 PolarHBondContact N-O 2.77Å; Q304-S329 WeakPolarHBondContact CB-OG 3.44Å; Q304-S329 PolarHBondContact N-OG 2.96Å; Q304-S329 PolarHBondContact O-N 3.34Å | ||
| 330 | C | 88.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.5 | 176.6 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | C263 C291 C300 T301 | C263-C330 HydrophobicContact CB-CB 4.39Å; C263-C330 WeakPolarHBondContact CB-O 3.37Å; C291-C330 WeakPolarHBondContact CA-SG 3.32Å; C291-C330 HydrophobicContact CB-CB 3.77Å; C291-C330 WeakPolarHBondContact CB-SG 3.1Å; C291-C330 WeakPolarHBondContact SG-CB 3.47Å; C291-C330 CovalentContact SG-SG 2.04Å; C291-C330 PolarHBondContact SG-SG 3.13Å; C300-C330 WeakPolarHBondContact SG-CB 3.47Å; T301-C330 CarbonylContact O-C 3.53Å; T301-C330 WeakPolarHBondContact O-CA 3.44Å; T301-C330 WeakPolarHBondContact O-CB 3.49Å |
| 331 | V | 86.7 | Confident | 78.8 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.1 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | C300 T301 H303 | C300-V331 WeakPolarHBondContact CA-O 3.07Å; T301-V331 PolarHBondContact N-O 3.03Å; T301-V331 PolarHBondContact O-N 3.18Å; H303-V331 HydrophobicContact CB-CB 4.03Å; H303-V331 HydrophobicContact CB-CG1 3.8Å |
| 332 | C | 84.7 | Confident | 76.5 | Confident | 17 Ų | 17 | 65 Ų | 65 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.9 | 176.6 | -70.3 | 0 | 0 | 0 | 0 | 110.7 | C294 R298 C299 | C294-C332 HydrophobicContact CB-CB 4Å; C294-C332 WeakPolarHBondContact CB-SG 3.32Å; C294-C332 VanDerWaalsContact SG-CA 3.58Å; C294-C332 WeakPolarHBondContact SG-CB 3.41Å; C294-C332 CovalentContact SG-SG 2.02Å; C294-C332 PolarHBondContact SG-SG 2.02Å; R298-C332 HydrophobicContact CB-CB 4.27Å; R298-C332 PolarHBondContact NH1-O 3.24Å; C299-C332 WeakPolarHBondContact O-CA 3.36Å |
| 333 | H | 79.1 | Confident | 74 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 165.6 | 177 | 60.6 | 96.3 | 0 | 0 | 0 | 111.9 | R298 C299 T301 N335 | R298-H333 WeakPolarHBondContact CB-O 3.36Å; C299-H333 PolarHBondContact N-O 3.05Å; C299-H333 PolarHBondContact O-N 3.25Å; C299-H333 PolarHBondContact SG-O 2.98Å; T301-H333 VanDerWaalsContact CG2-NE2 3.25Å; T301-H333 WeakPolarHBondContact CG2-NE2 3.45Å; T301-H333 PolarHBondContact OG1-CD2 2.89Å; T301-H333 PolarHBondContact OG1-NE2 2.82Å; H333-N335 PolarHBondContact CE1-O 2.75Å; H333-N335 PolarHBondContact ND1-N 2.96Å; H333-N335 PolarHBondContact ND1-O 2.87Å |
| 334 | N | 76.8 | Confident | 71.9 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -82.4 | -25.1 | -179.5 | -66 | -30.8 | 0 | 0 | 0 | 112.9 | R298 C336 | R298-N334 WeakPolarHBondContact CD-OD1 3.47Å; R298-N334 WeakPolarHBondContact CG-OD1 3.4Å; N334-C336 PolarHBondContact O-N 2.87Å; N334-C336 PolarHBondContact O-SG 3.21Å |
| 335 | N | 75.6 | Confident | 69.5 | Low | 135 Ų | 135 | 71.8 Ų | 71.8 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | trans | -78.7 | 81.1 | -176.3 | -175.2 | 12.9 | 0 | 0 | 0 | 111.8 | H333 P337 | H333-N335 PolarHBondContact CE1-O 2.75Å; H333-N335 PolarHBondContact ND1-N 2.96Å; H333-N335 PolarHBondContact ND1-O 2.87Å; N335-P337 VanDerWaalsContact O-CD 3.31Å; N335-P337 WeakPolarHBondContact O-CD 3.49Å | ||
| 336 | C | 74.6 | Confident | 66.8 | Low | 36 Ų | 36 | 76.8 Ų | 76.8 | 24% | 0.243 | 43% | 0.429 | C | S | . | . | trans | -84.7 | 113.5 | -169.5 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | C299 N334 Y338 A339 | C299-C336 HydrophobicContact CB-CB 3.84Å; C299-C336 WeakPolarHBondContact CB-SG 3.45Å; C299-C336 PolarHBondContact N-SG 3.32Å; C299-C336 VanDerWaalsContact N-SG 3.45Å; C299-C336 WeakPolarHBondContact SG-CA 2.97Å; C299-C336 WeakPolarHBondContact SG-CB 3.04Å; C299-C336 CovalentContact SG-SG 2.04Å; C299-C336 PolarHBondContact SG-SG 3.29Å; N334-C336 PolarHBondContact O-N 2.87Å; N334-C336 PolarHBondContact O-SG 3.21Å; C336-Y338 PolarHBondContact O-N 3Å; C336-A339 HydrophobicContact CB-CB 4.01Å; C336-A339 WeakPolarHBondContact O-CB 3.38Å; C336-A339 PolarHBondContact O-N 2.92Å; C336-A339 VanDerWaalsContact O-N 3.09Å | ||
| 337 | P | 69.7 | Low | 64.2 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.2 | -175 | 28.8 | -34.9 | 0 | 0 | 0 | 113.5 | A211 T301 N335 | A211-P337 HydrophobicContact CB-CB 3.61Å; A211-P337 HydrophobicContact CB-CG 3.87Å; T301-P337 HydrophobicContact CG2-CG 4.1Å; N335-P337 VanDerWaalsContact O-CD 3.31Å; N335-P337 WeakPolarHBondContact O-CD 3.49Å |
| 338 | Y | 69.3 | Low | 61.3 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 24% | 0.243 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 5.4 | 179.6 | -45.8 | -73.9 | 0 | 0 | 0 | 112.8 | C212 C336 | C212-Y338 WeakPolarHBondContact CB-OH 3.48Å; C212-Y338 PolarHBondContact N-OH 3.26Å; C212-Y338 WeakPolarHBondContact O-CE1 3.3Å; C212-Y338 PolarHBondContact O-OH 3.07Å; C336-Y338 PolarHBondContact O-N 3Å |
| 339 | A | 57.3 | Low | 59 | Low | 55 Ų | 55 | 92.8 Ų | 92.8 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | trans | -64 | 131.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | C336 Y341 | C336-A339 HydrophobicContact CB-CB 4.01Å; C336-A339 WeakPolarHBondContact O-CB 3.38Å; C336-A339 PolarHBondContact O-N 2.92Å; C336-A339 VanDerWaalsContact O-N 3.09Å; A339-Y341 PolarHBondContact O-N 3.36Å | ||
| 340 | P | 47 | Very low | 56.2 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | trans | -55.7 | 136.9 | 163.1 | 24.6 | -29.9 | 0 | 0 | 0 | 106.9 | T342 | P340-T342 PolarHBondContact O-N 2.93Š| ||
| 341 | Y | 39.5 | Very low | 53.7 | Low | 240 Ų | 240 | 110.8 Ų | 110.8 | 94% | 0.941 | 60% | 0.596 | S | S | * | * | trans | -56.4 | 91.8 | 172.5 | -80 | -90.6 | 0 | 0 | 0 | 108.4 | A339 N343 | A339-Y341 PolarHBondContact O-N 3.36Å; Y341-N343 PolarHBondContact O-N 3.26Å | ||
| 342 | T | 37.8 | Very low | 52.1 | Low | 103 Ų | 103 | 114 Ų | 114 | 63% | 0.632 | 61% | 0.611 | S | S | * | * | trans | -78.5 | 88 | 165.7 | 41.5 | 0 | 0 | 0 | 0 | 105.2 | P340 P344 | P340-T342 PolarHBondContact O-N 2.93Å; T342-P344 WeakPolarHBondContact O-CD 3.29Å; T342-P344 VanDerWaalsContact O-N 3.15Å | ||
| 343 | N | 32.7 | Very low | 50.4 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | trans | -58.4 | 113.7 | 165.5 | -173.9 | -5.2 | 0 | 0 | 0 | 107.4 | Y341 A345 L346 | Y341-N343 PolarHBondContact O-N 3.26Å; N343-A345 PolarHBondContact O-N 2.95Å; N343-A345 VanDerWaalsContact O-N 3.1Å; N343-A345 WeakPolarHBondContact OD1-CB 3.49Å; N343-A345 PolarHBondContact OD1-N 3.11Å; N343-L346 PolarHBondContact O-N 2.78Å | ||
| 344 | P | 41.9 | Very low | 48.8 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 58% | 0.578 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -65.4 | -12.1 | -178.1 | 24.7 | -30.3 | 0 | 0 | 0 | 112.7 | T342 L346 | T342-P344 WeakPolarHBondContact O-CD 3.29Å; T342-P344 VanDerWaalsContact O-N 3.15Å; P344-L346 PolarHBondContact O-N 2.83Å |
| 345 | A | 40.6 | Very low | 47.1 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -70 | -9.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N343 | N343-A345 PolarHBondContact O-N 2.95Å; N343-A345 VanDerWaalsContact O-N 3.1Å; N343-A345 WeakPolarHBondContact OD1-CB 3.49Å; N343-A345 PolarHBondContact OD1-N 3.11Å |
| 346 | L | 36.3 | Very low | 45.3 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -106.8 | 12.2 | -178.2 | -69 | 171.5 | 0 | 0 | 0 | 114.1 | N343 P344 A348 | N343-L346 PolarHBondContact O-N 2.78Å; P344-L346 PolarHBondContact O-N 2.83Å; L346-A348 VanDerWaalsContact C-N 3.27Å; L346-A348 PolarHBondContact O-N 2.94Å |
| 347 | W | 40.5 | Very low | 43.4 | Very low | 214 Ų | 214 | 127 Ų | 127 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -19.3 | 177.7 | -75.2 | -0.9 | 0 | 0 | 0 | 114.3 | ||
| 348 | A | 31.4 | Very low | 41.5 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L346 | L346-A348 VanDerWaalsContact C-N 3.27Å; L346-A348 PolarHBondContact O-N 2.94Å |
| 349 | H | 40.8 | Very low | 39.4 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -129.3 | 75.7 | 178.5 | -67 | -34.5 | 0 | 0 | 0 | 110.6 | ||||
| 350 | R | 29.6 | Very low | 37.9 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 85% | 0.849 | 76% | 0.756 | S | S | * | * | trans | -128.2 | 141.1 | 148 | -81.6 | -171.5 | -177.1 | 173.8 | 0.8 | 108.5 | ||||
| 351 | P | 36.5 | Very low | 37 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 100% | 1.318 | 76% | 0.763 | S | S | * | * | trans | -63.1 | 0 | -171.5 | 26.9 | -35.3 | 0 | 0 | 0 | 113.6 |
Retrieved 351 of 351 residues in 50.8 ms
(Link to these results)