| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.6 | Very low | 45.7 | Very low | 207 Ų | 207 | 138.9 Ų | 138.9 | 100% | 1.02 | 66% | 0.662 | S | S | * | * | 0 | -33.6 | 0 | -69.8 | -179.1 | 75.1 | 0 | 0 | 114.5 | T4 | M1-T4 PolarHBondContact O-OG1 3.13Š| |||
| 2 | W | 37.5 | Very low | 46.3 | Very low | 236 Ų | 236 | 141.3 Ų | 141.3 | 89% | 0.894 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.3 | -27 | -177 | -128.7 | 57.3 | 0 | 0 | 0 | 115.3 | T5 | W2-T5 PolarHBondContact O-OG1 3.01Å; W2-T5 VanDerWaalsContact O-OG1 3.14Å |
| 3 | I | 44.8 | Very low | 46.7 | Very low | 141 Ų | 141 | 143 Ų | 143 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.6 | -34.6 | 178.5 | -62.5 | 171.8 | 0 | 0 | 0 | 111.3 | T5 | I3-T5 PolarHBondContact O-N 3.4Å |
| 4 | T | 45.6 | Very low | 47.2 | Very low | 88 Ų | 88 | 142 Ų | 142 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69.9 | -31.3 | -177 | 40.8 | 0 | 0 | 0 | 0 | 113.5 | M1 Y8 | M1-T4 PolarHBondContact O-OG1 3.13Å; T4-Y8 PolarHBondContact O-N 3.39Å |
| 5 | T | 47.7 | Very low | 47.9 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.8 | -35.6 | 179.9 | 43 | 0 | 0 | 0 | 0 | 113.1 | W2 I3 Y8 Q9 | W2-T5 PolarHBondContact O-OG1 3.01Å; W2-T5 VanDerWaalsContact O-OG1 3.14Å; I3-T5 PolarHBondContact O-N 3.4Å; T5-Y8 PolarHBondContact O-N 3.43Å; T5-Q9 PolarHBondContact O-N 2.88Å |
| 6 | K | 44.3 | Very low | 48.7 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.7 | -40.1 | 175.4 | -102.2 | -173.2 | 174.9 | -176.7 | 0 | 112.5 | Y8 Q9 T10 | K6-Y8 VanDerWaalsContact C-N 3.32Å; K6-Y8 PolarHBondContact O-N 3.36Å; K6-Q9 PolarHBondContact O-N 3.39Å; K6-T10 PolarHBondContact O-N 3.21Å; K6-T10 VanDerWaalsContact O-N 3.1Å; K6-T10 PolarHBondContact O-OG1 3.47Å |
| 7 | F | 45.2 | Very low | 49.3 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.1 | -33.5 | 178.1 | -111 | -83.1 | 0 | 0 | 0 | 113.4 | T10 T11 | F7-T10 PolarHBondContact O-OG1 3.27Å; F7-T11 WeakPolarHBondContact O-CG2 3.31Å; F7-T11 PolarHBondContact O-N 2.88Å; F7-T11 PolarHBondContact O-OG1 3.04Å |
| 8 | Y | 47.1 | Very low | 50.2 | Low | 179 Ų | 179 | 132.9 Ų | 132.9 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.8 | -33.2 | 174.1 | -93.2 | -83.3 | 0 | 0 | 0 | 113.1 | T4 T5 K6 T11 Y12 | T4-Y8 PolarHBondContact O-N 3.39Å; T5-Y8 PolarHBondContact O-N 3.43Å; K6-Y8 VanDerWaalsContact C-N 3.32Å; K6-Y8 PolarHBondContact O-N 3.36Å; Y8-T11 WeakPolarHBondContact CA-OG1 3.4Å; Y8-T11 PolarHBondContact O-OG1 3.07Å; Y8-Y12 WeakPolarHBondContact O-CB 3.44Å; Y8-Y12 PolarHBondContact O-N 3.18Å |
| 9 | Q | 46.9 | Very low | 51.1 | Low | 145 Ų | 145 | 132.5 Ų | 132.5 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.2 | -34.4 | 177 | -76.3 | -173.3 | -24.4 | 0 | 0 | 113.6 | T5 K6 K13 | T5-Q9 PolarHBondContact O-N 2.88Å; K6-Q9 PolarHBondContact O-N 3.39Å; Q9-K13 PolarHBondContact O-N 2.94Å |
| 10 | T | 48.1 | Very low | 52 | Low | 78 Ų | 78 | 131.1 Ų | 131.1 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.2 | -41.2 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | K6 F7 K13 H14 | K6-T10 PolarHBondContact O-N 3.21Å; K6-T10 VanDerWaalsContact O-N 3.1Å; K6-T10 PolarHBondContact O-OG1 3.47Å; F7-T10 PolarHBondContact O-OG1 3.27Å; T10-K13 PolarHBondContact O-N 3.45Å; T10-H14 PolarHBondContact O-N 2.95Å; T10-H14 VanDerWaalsContact O-N 3.15Å |
| 11 | T | 51.7 | Low | 52.9 | Low | 68 Ų | 68 | 130.8 Ų | 130.8 | 42% | 0.417 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -42.8 | 176.3 | 45 | 0 | 0 | 0 | 0 | 112.4 | F7 Y8 K13 H14 T15 | F7-T11 WeakPolarHBondContact O-CG2 3.31Å; F7-T11 PolarHBondContact O-N 2.88Å; F7-T11 PolarHBondContact O-OG1 3.04Å; Y8-T11 WeakPolarHBondContact CA-OG1 3.4Å; Y8-T11 PolarHBondContact O-OG1 3.07Å; T11-K13 VanDerWaalsContact C-N 3.33Å; T11-K13 PolarHBondContact O-N 2.88Å; T11-H14 PolarHBondContact O-N 3.33Å; T11-T15 PolarHBondContact O-N 3.5Å; T11-T15 PolarHBondContact O-OG1 3.49Å |
| 12 | Y | 53.1 | Low | 54.2 | Low | 168 Ų | 168 | 125.9 Ų | 125.9 | 66% | 0.659 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -30.8 | 178.8 | -140.5 | -86.5 | 0 | 0 | 0 | 113.7 | Y8 T15 T16 | Y8-Y12 WeakPolarHBondContact O-CB 3.44Å; Y8-Y12 PolarHBondContact O-N 3.18Å; Y12-T15 PolarHBondContact O-OG1 3.34Å; Y12-T16 HydrophobicContact CD1-CG2 4.15Å; Y12-T16 HydrophobicContact CE1-CG2 4.2Å; Y12-T16 WeakPolarHBondContact O-CG2 3.38Å; Y12-T16 PolarHBondContact O-N 2.96Å; Y12-T16 PolarHBondContact O-OG1 3.38Å |
| 13 | K | 51.6 | Low | 56 | Low | 163 Ų | 163 | 119.4 Ų | 119.4 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71 | -39 | 172 | -82.1 | -169.3 | 171.8 | -171.8 | 0 | 112.5 | Q9 T10 T11 T16 Y17 | Q9-K13 PolarHBondContact O-N 2.94Å; T10-K13 PolarHBondContact O-N 3.45Å; T11-K13 VanDerWaalsContact C-N 3.33Å; T11-K13 PolarHBondContact O-N 2.88Å; K13-T16 PolarHBondContact O-OG1 3.41Å; K13-T16 VanDerWaalsContact O-OG1 3.13Å; K13-Y17 WeakPolarHBondContact O-CB 3.3Å; K13-Y17 PolarHBondContact O-N 3.42Å; K13-Y17 VanDerWaalsContact O-N 3.09Å |
| 14 | H | 53.4 | Low | 57.3 | Low | 129 Ų | 129 | 118 Ų | 118 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.5 | -40 | 176.9 | -91.9 | -70.7 | 0 | 0 | 0 | 113.2 | T10 T11 Y17 N18 | T10-H14 PolarHBondContact O-N 2.95Å; T10-H14 VanDerWaalsContact O-N 3.15Å; T11-H14 PolarHBondContact O-N 3.33Å; H14-Y17 PolarHBondContact O-N 2.88Å; H14-N18 WeakPolarHBondContact O-CB 3.45Å; H14-N18 PolarHBondContact O-N 3.48Å |
| 15 | T | 58.3 | Low | 58.5 | Low | 70 Ų | 70 | 117 Ų | 117 | 43% | 0.429 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67 | -41.1 | 177.8 | 53 | 0 | 0 | 0 | 0 | 112.3 | T11 Y12 N18 H19 | T11-T15 PolarHBondContact O-N 3.5Å; T11-T15 PolarHBondContact O-OG1 3.49Å; Y12-T15 PolarHBondContact O-OG1 3.34Å; T15-N18 PolarHBondContact O-N 2.88Å; T15-H19 PolarHBondContact O-CD2 3.47Å; T15-H19 PolarHBondContact O-N 3.35Å |
| 16 | T | 60.7 | Low | 59.5 | Low | 62 Ų | 62 | 117.8 Ų | 117.8 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -41.3 | 175.8 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | Y12 K13 H19 I20 | Y12-T16 HydrophobicContact CD1-CG2 4.15Å; Y12-T16 HydrophobicContact CE1-CG2 4.2Å; Y12-T16 WeakPolarHBondContact O-CG2 3.38Å; Y12-T16 PolarHBondContact O-N 2.96Å; Y12-T16 PolarHBondContact O-OG1 3.38Å; K13-T16 PolarHBondContact O-OG1 3.41Å; K13-T16 VanDerWaalsContact O-OG1 3.13Å; T16-H19 PolarHBondContact O-N 2.88Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å; T16-I20 PolarHBondContact O-N 2.98Å |
| 17 | Y | 58.9 | Low | 60.6 | Low | 169 Ų | 169 | 117.9 Ų | 117.9 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -43 | 176.2 | -148 | -90.3 | 0 | 0 | 0 | 112.1 | K13 H14 H19 I20 F21 | K13-Y17 WeakPolarHBondContact O-CB 3.3Å; K13-Y17 PolarHBondContact O-N 3.42Å; K13-Y17 VanDerWaalsContact O-N 3.09Å; H14-Y17 PolarHBondContact O-N 2.88Å; Y17-H19 PolarHBondContact O-N 3.31Å; Y17-I20 PolarHBondContact O-N 3.33Å; Y17-F21 WeakPolarHBondContact O-CB 3.47Å; Y17-F21 PolarHBondContact O-N 2.93Å |
| 18 | N | 64.5 | Low | 61.3 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 175.9 | -77.7 | -7.8 | 0 | 0 | 0 | 112.4 | H14 T15 F21 L22 | H14-N18 WeakPolarHBondContact O-CB 3.45Å; H14-N18 PolarHBondContact O-N 3.48Å; T15-N18 PolarHBondContact O-N 2.88Å; N18-F21 PolarHBondContact O-N 2.88Å; N18-L22 WeakPolarHBondContact O-CB 3.41Å; N18-L22 PolarHBondContact O-N 3.37Å |
| 19 | H | 68 | Low | 61.9 | Low | 126 Ų | 126 | 108.7 Ų | 108.7 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 175.2 | -83.3 | -61.7 | 0 | 0 | 0 | 112.6 | T15 T16 Y17 L22 I23 | T15-H19 PolarHBondContact O-CD2 3.47Å; T15-H19 PolarHBondContact O-N 3.35Å; T16-H19 PolarHBondContact O-N 2.88Å; Y17-H19 PolarHBondContact O-N 3.31Å; H19-L22 PolarHBondContact O-N 3.26Å; H19-I23 WeakPolarHBondContact O-CB 3.43Å; H19-I23 WeakPolarHBondContact O-CD1 3.27Å; H19-I23 WeakPolarHBondContact O-CG1 3.19Å; H19-I23 PolarHBondContact O-N 2.87Å |
| 20 | I | 69.7 | Low | 62.1 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.6 | -68.1 | 164.6 | 0 | 0 | 0 | 110.7 | T16 Y17 I23 L24 | T16-I20 WeakPolarHBondContact O-CG1 3.48Å; T16-I20 PolarHBondContact O-N 2.98Å; Y17-I20 PolarHBondContact O-N 3.33Å; I20-I23 PolarHBondContact O-N 3.39Å; I20-L24 HydrophobicContact CG2-CD1 4.11Å; I20-L24 PolarHBondContact O-N 3.48Å |
| 21 | F | 70.4 | Confident | 62.1 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.7 | -167.6 | -107.5 | 0 | 0 | 0 | 112.2 | Y17 N18 L24 I25 | Y17-F21 WeakPolarHBondContact O-CB 3.47Å; Y17-F21 PolarHBondContact O-N 2.93Å; N18-F21 PolarHBondContact O-N 2.88Å; F21-L24 PolarHBondContact O-N 3.22Å; F21-I25 HydrophobicContact CD1-CD1 3.7Å; F21-I25 HydrophobicContact CE1-CD1 3.43Å; F21-I25 VanDerWaalsContact CE1-CD1 3.43Å; F21-I25 HydrophobicContact CE1-CG1 4.44Å; F21-I25 HydrophobicContact CZ-CD1 4.06Å; F21-I25 WeakPolarHBondContact O-CG1 3.3Å; F21-I25 PolarHBondContact O-N 3.27Å |
| 22 | L | 70.6 | Confident | 62 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.7 | -34.7 | 177 | -154.2 | 112.7 | 0 | 0 | 0 | 112.3 | N18 H19 I25 L26 | N18-L22 WeakPolarHBondContact O-CB 3.41Å; N18-L22 PolarHBondContact O-N 3.37Å; H19-L22 PolarHBondContact O-N 3.26Å; L22-I25 PolarHBondContact O-N 3.32Å; L22-L26 HydrophobicContact CD2-CD1 4.05Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 WeakPolarHBondContact O-CG 3.3Å; L22-L26 PolarHBondContact O-N 3.22Å |
| 23 | I | 76.1 | Confident | 61.4 | Low | 100 Ų | 100 | 113.9 Ų | 113.9 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 172.6 | -71.5 | 164.6 | 0 | 0 | 0 | 110.8 | H19 I20 L26 Y27 | H19-I23 WeakPolarHBondContact O-CB 3.43Å; H19-I23 WeakPolarHBondContact O-CD1 3.27Å; H19-I23 WeakPolarHBondContact O-CG1 3.19Å; H19-I23 PolarHBondContact O-N 2.87Å; I20-I23 PolarHBondContact O-N 3.39Å; I23-L26 PolarHBondContact O-N 2.88Å; I23-Y27 WeakPolarHBondContact O-CB 3.32Å; I23-Y27 PolarHBondContact O-N 3.02Å |
| 24 | L | 70.6 | Confident | 60.9 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 174.3 | -84.7 | 161.3 | 0 | 0 | 0 | 111.9 | I20 F21 Y27 S28 | I20-L24 HydrophobicContact CG2-CD1 4.11Å; I20-L24 PolarHBondContact O-N 3.48Å; F21-L24 PolarHBondContact O-N 3.22Å; L24-Y27 PolarHBondContact O-N 3.17Å; L24-S28 PolarHBondContact O-N 3.21Å; L24-S28 PolarHBondContact O-OG 3.02Å |
| 25 | I | 71.5 | Confident | 60.2 | Low | 69 Ų | 69 | 112 Ų | 112 | 35% | 0.354 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 173.4 | -72.5 | 170.5 | 0 | 0 | 0 | 111.1 | F21 L22 Y27 S28 I29 | F21-I25 HydrophobicContact CD1-CD1 3.7Å; F21-I25 HydrophobicContact CE1-CD1 3.43Å; F21-I25 VanDerWaalsContact CE1-CD1 3.43Å; F21-I25 HydrophobicContact CE1-CG1 4.44Å; F21-I25 HydrophobicContact CZ-CD1 4.06Å; F21-I25 WeakPolarHBondContact O-CG1 3.3Å; F21-I25 PolarHBondContact O-N 3.27Å; L22-I25 PolarHBondContact O-N 3.32Å; I25-Y27 VanDerWaalsContact C-N 3.27Å; I25-Y27 PolarHBondContact O-N 3.26Å; I25-S28 WeakPolarHBondContact CA-OG 3.44Å; I25-S28 PolarHBondContact O-N 3.38Å; I25-S28 PolarHBondContact O-OG 2.9Å; I25-I29 HydrophobicContact CG2-CD1 3.61Å; I25-I29 HydrophobicContact CG2-CG1 4.29Å; I25-I29 WeakPolarHBondContact O-CB 3.44Å; I25-I29 WeakPolarHBondContact O-CG1 3.4Å; I25-I29 PolarHBondContact O-N 2.88Å |
| 26 | L | 68.1 | Low | 59.3 | Low | 99 Ų | 99 | 112 Ų | 112 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -32.8 | 174.7 | -80.1 | 163.4 | 0 | 0 | 0 | 112.3 | L22 I23 R30 | L22-L26 HydrophobicContact CD2-CD1 4.05Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 WeakPolarHBondContact O-CG 3.3Å; L22-L26 PolarHBondContact O-N 3.22Å; I23-L26 PolarHBondContact O-N 2.88Å; L26-R30 WeakPolarHBondContact O-CB 3.2Å; L26-R30 PolarHBondContact O-N 3.33Å |
| 27 | Y | 68.2 | Low | 58.4 | Low | 158 Ų | 158 | 114.7 Ų | 114.7 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.8 | -39.3 | 175.3 | -124.6 | -82.1 | 0 | 0 | 0 | 112.4 | I23 L24 I25 R30 L31 | I23-Y27 WeakPolarHBondContact O-CB 3.32Å; I23-Y27 PolarHBondContact O-N 3.02Å; L24-Y27 PolarHBondContact O-N 3.17Å; I25-Y27 VanDerWaalsContact C-N 3.27Å; I25-Y27 PolarHBondContact O-N 3.26Å; Y27-R30 PolarHBondContact O-N 3.46Å; Y27-L31 HydrophobicContact CD1-CD1 4.37Å; Y27-L31 WeakPolarHBondContact O-CB 3.21Å; Y27-L31 PolarHBondContact O-N 2.85Å |
| 28 | S | 59.4 | Low | 57.7 | Low | 54 Ų | 54 | 114 Ų | 114 | 38% | 0.378 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70 | -39.2 | 174.3 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | L24 I25 R30 L31 I32 | L24-S28 PolarHBondContact O-N 3.21Å; L24-S28 PolarHBondContact O-OG 3.02Å; I25-S28 WeakPolarHBondContact CA-OG 3.44Å; I25-S28 PolarHBondContact O-N 3.38Å; I25-S28 PolarHBondContact O-OG 2.9Å; S28-R30 VanDerWaalsContact C-N 3.35Å; S28-L31 PolarHBondContact O-N 2.9Å; S28-I32 WeakPolarHBondContact O-CB 3.3Å; S28-I32 WeakPolarHBondContact O-CD1 3.17Å; S28-I32 VanDerWaalsContact O-CG1 3.22Å; S28-I32 WeakPolarHBondContact O-CG1 3.29Å; S28-I32 PolarHBondContact O-N 2.85Å |
| 29 | I | 59.8 | Low | 57.1 | Low | 78 Ų | 78 | 114.8 Ų | 114.8 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -42.2 | 169.8 | -67.1 | 167.8 | 0 | 0 | 0 | 110.1 | I25 L31 I32 W33 | I25-I29 HydrophobicContact CG2-CD1 3.61Å; I25-I29 HydrophobicContact CG2-CG1 4.29Å; I25-I29 WeakPolarHBondContact O-CB 3.44Å; I25-I29 WeakPolarHBondContact O-CG1 3.4Å; I25-I29 PolarHBondContact O-N 2.88Å; I29-L31 VanDerWaalsContact C-N 3.34Å; I29-L31 PolarHBondContact O-N 3Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-W33 WeakPolarHBondContact O-CB 3.09Å; I29-W33 VanDerWaalsContact O-CD1 3.24Å; I29-W33 PolarHBondContact O-N 2.65Å |
| 30 | R | 51.1 | Low | 57.1 | Low | 176 Ų | 176 | 111.9 Ų | 111.9 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -37.4 | 173.8 | -112.5 | -167.8 | 176.1 | -148.4 | -0.9 | 112.8 | L26 Y27 S28 W33 I34 | L26-R30 WeakPolarHBondContact O-CB 3.2Å; L26-R30 PolarHBondContact O-N 3.33Å; Y27-R30 PolarHBondContact O-N 3.46Å; S28-R30 VanDerWaalsContact C-N 3.35Å; R30-W33 CarbonylContact O-C 3.57Å; R30-W33 PolarHBondContact O-N 3.48Å; R30-I34 WeakPolarHBondContact O-CB 2.97Å; R30-I34 WeakPolarHBondContact O-CD1 3.11Å; R30-I34 WeakPolarHBondContact O-CG1 3.26Å; R30-I34 PolarHBondContact O-N 3.41Å |
| 31 | L | 47.8 | Very low | 57.5 | Low | 90 Ų | 90 | 108.8 Ų | 108.8 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 174 | -89.3 | 155.7 | 0 | 0 | 0 | 110.9 | Y27 S28 I29 W33 I34 E35 | Y27-L31 HydrophobicContact CD1-CD1 4.37Å; Y27-L31 WeakPolarHBondContact O-CB 3.21Å; Y27-L31 PolarHBondContact O-N 2.85Å; S28-L31 PolarHBondContact O-N 2.9Å; I29-L31 VanDerWaalsContact C-N 3.34Å; I29-L31 PolarHBondContact O-N 3Å; L31-W33 VanDerWaalsContact C-N 3.32Å; L31-W33 PolarHBondContact O-N 2.74Å; L31-I34 CarbonylContact O-C 3.27Å; L31-I34 PolarHBondContact O-N 3.22Å; L31-E35 VanDerWaalsContact O-CB 3.3Å; L31-E35 WeakPolarHBondContact O-CB 3.12Å; L31-E35 WeakPolarHBondContact O-CG 2.98Å; L31-E35 PolarHBondContact O-N 2.78Å |
| 32 | I | 49.3 | Very low | 58.3 | Low | 108 Ų | 108 | 104.6 Ų | 104.6 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -33.7 | 174.1 | -66.1 | 160.2 | 0 | 0 | 0 | 111.6 | S28 I29 E35 A36 | S28-I32 WeakPolarHBondContact O-CB 3.3Å; S28-I32 WeakPolarHBondContact O-CD1 3.17Å; S28-I32 VanDerWaalsContact O-CG1 3.22Å; S28-I32 WeakPolarHBondContact O-CG1 3.29Å; S28-I32 PolarHBondContact O-N 2.85Å; I29-I32 PolarHBondContact O-N 3.19Å; I32-E35 CarbonylContact O-C 3.59Å; I32-E35 PolarHBondContact O-N 2.88Å; I32-A36 PolarHBondContact O-N 2.91Å |
| 33 | W | 41.4 | Very low | 59.4 | Low | 195 Ų | 195 | 99.7 Ų | 99.7 | 74% | 0.739 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -79.8 | -20.3 | 174 | -87.2 | 75.8 | 0 | 0 | 0 | 113.9 | I29 R30 L31 | I29-W33 WeakPolarHBondContact O-CB 3.09Å; I29-W33 VanDerWaalsContact O-CD1 3.24Å; I29-W33 PolarHBondContact O-N 2.65Å; R30-W33 CarbonylContact O-C 3.57Å; R30-W33 PolarHBondContact O-N 3.48Å; L31-W33 VanDerWaalsContact C-N 3.32Å; L31-W33 PolarHBondContact O-N 2.74Å |
| 34 | I | 40.9 | Very low | 60.1 | Low | 108 Ų | 108 | 98 Ų | 98 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -82.6 | -33 | 168 | -70.4 | 162 | 0 | 0 | 0 | 109.6 | R30 L31 I37 | R30-I34 WeakPolarHBondContact O-CB 2.97Å; R30-I34 WeakPolarHBondContact O-CD1 3.11Å; R30-I34 WeakPolarHBondContact O-CG1 3.26Å; R30-I34 PolarHBondContact O-N 3.41Å; L31-I34 CarbonylContact O-C 3.27Å; L31-I34 PolarHBondContact O-N 3.22Å; I34-I37 WeakPolarHBondContact O-CA 3.29Å; I34-I37 WeakPolarHBondContact O-CG1 3.36Å; I34-I37 PolarHBondContact O-N 2.78Å |
| 35 | E | 39.9 | Very low | 60.8 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 67% | 0.673 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.7 | -17.1 | 173.3 | -78.6 | -172.1 | 170.8 | 0 | 0 | 113.7 | L31 I32 I37 | L31-E35 VanDerWaalsContact O-CB 3.3Å; L31-E35 WeakPolarHBondContact O-CB 3.12Å; L31-E35 WeakPolarHBondContact O-CG 2.98Å; L31-E35 PolarHBondContact O-N 2.78Å; I32-E35 CarbonylContact O-C 3.59Å; I32-E35 PolarHBondContact O-N 2.88Å; E35-I37 PolarHBondContact O-N 2.91Å |
| 36 | A | 38.1 | Very low | 61.8 | Low | 70 Ų | 70 | 97.2 Ų | 97.2 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -66.9 | 46.3 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I32 I38 | I32-A36 PolarHBondContact O-N 2.91Å; A36-I38 PolarHBondContact O-N 3.25Å |
| 37 | I | 42.3 | Very low | 63 | Low | 118 Ų | 118 | 92.5 Ų | 92.5 | 61% | 0.605 | 46% | 0.457 | S | S | * | . | trans | -51.2 | 129 | 168.3 | -58.8 | 169.9 | 0 | 0 | 0 | 104.3 | I34 E35 E39 | I34-I37 WeakPolarHBondContact O-CA 3.29Å; I34-I37 WeakPolarHBondContact O-CG1 3.36Å; I34-I37 PolarHBondContact O-N 2.78Å; E35-I37 PolarHBondContact O-N 2.91Å; I37-E39 VanDerWaalsContact C-N 3.34Å; I37-E39 PolarHBondContact O-N 2.87Å | ||
| 38 | I | 43.5 | Very low | 64.2 | Low | 156 Ų | 156 | 88.8 Ų | 88.8 | 80% | 0.8 | 44% | 0.442 | S | S | * | . | trans | -31.5 | 99.4 | 161.8 | -61.5 | 153.9 | 0 | 0 | 0 | 108 | A36 S40 | A36-I38 PolarHBondContact O-N 3.25Å; I38-S40 PolarHBondContact O-N 2.87Å | ||
| 39 | E | 52.3 | Low | 65.6 | Low | 118 Ų | 118 | 86.6 Ų | 86.6 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | trans | -58.2 | 109.9 | -176.9 | -84.3 | -176.3 | 166.3 | 0 | 0 | 105.9 | I37 T41 K548 | I37-E39 VanDerWaalsContact C-N 3.34Å; I37-E39 PolarHBondContact O-N 2.87Å; E39-T41 PolarHBondContact O-N 2.67Å; E39-K548 IonicContact OE1-NZ 3.53Å; E39-K548 PolarHBondContact OE1-NZ 3.36Å; E39-K548 IonicContact OE2-NZ 2.83Å; E39-K548 PolarHBondContact OE2-NZ 3.44Å | ||
| 40 | S | 68.7 | Low | 67.2 | Low | 65 Ų | 65 | 85.8 Ų | 85.8 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | trans | -62.3 | 116.2 | -171.4 | 55.9 | 0 | 0 | 0 | 0 | 107.8 | I38 Q42 R551 | I38-S40 PolarHBondContact O-N 2.87Å; S40-Q42 PolarHBondContact O-N 2.94Å; S40-R551 VanDerWaalsContact O-CD 3.25Å; S40-R551 WeakPolarHBondContact O-CD 3.3Å; S40-R551 PolarHBondContact O-NE 3.11Å | ||
| 41 | T | 77.7 | Confident | 69.2 | Low | 39 Ų | 39 | 80.4 Ų | 80.4 | 24% | 0.239 | 41% | 0.407 | C | S | . | . | trans | -67.7 | -15.6 | 175.2 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | E39 Y494 L495 D496 | E39-T41 PolarHBondContact O-N 2.67Å; T41-Y494 HydrophobicContact CG2-CD2 4.41Å; T41-Y494 HydrophobicContact CG2-CE1 4.23Å; T41-Y494 HydrophobicContact CG2-CE2 3.59Å; T41-Y494 VanDerWaalsContact CG2-CZ 3.49Å; T41-Y494 WeakPolarHBondContact CG2-OH 3.46Å; T41-L495 CarbonylContact O-C 3.55Å; T41-L495 WeakPolarHBondContact O-CA 3.09Å; T41-D496 PolarHBondContact O-N 3.05Å; T41-D496 PolarHBondContact OG1-OD2 3.17Å; T41-D496 VanDerWaalsContact OG1-OD2 3.09Å | ||
| 42 | Q | 87.8 | Confident | 71.2 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 17% | 0.173 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 128.8 | 175.7 | -165.2 | 68.1 | 22.5 | 0 | 0 | 112.3 | S40 G497 P498 K499 | S40-Q42 PolarHBondContact O-N 2.94Å; Q42-G497 PolarHBondContact NE2-O 2.77Å; Q42-P498 VanDerWaalsContact NE2-C 3.29Å; Q42-K499 VanDerWaalsContact NE2-N 3.19Å |
| 43 | L | 92.3 | Very high | 73.1 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 139.8 | 166.2 | -173.4 | 66.2 | 0 | 0 | 0 | 110.7 | L495 D496 P498 F504 Y539 I541 P553 | L43-L495 HydrophobicContact CB-CD1 4Å; L43-L495 HydrophobicContact CB-CD2 4.29Å; L43-L495 HydrophobicContact CB-CG 4.13Å; L43-L495 HydrophobicContact CD1-CD1 4.25Å; L43-L495 HydrophobicContact CD1-CD2 3.8Å; L43-L495 HydrophobicContact CD1-CG 4.45Å; L43-L495 HydrophobicContact CG-CD2 4.43Å; L43-D496 WeakPolarHBondContact CB-O 3.47Å; L43-D496 PolarHBondContact N-O 3.46Å; L43-P498 HydrophobicContact CB-CG 4.35Å; L43-P498 HydrophobicContact CD2-CG 4.32Å; L43-P498 HydrophobicContact CG-CG 4.49Å; L43-F504 HydrophobicContact CD2-CE2 3.66Å; L43-F504 HydrophobicContact CD2-CZ 3.82Å; L43-Y539 HydrophobicContact CD2-CD1 3.64Å; L43-Y539 HydrophobicContact CD2-CE1 4.32Å; L43-Y539 HydrophobicContact CD2-CG 3.82Å; L43-I541 HydrophobicContact CD1-CD1 4.21Å; L43-I541 HydrophobicContact CD2-CD1 3.79Å; L43-P553 HydrophobicContact CD1-CG 3.78Å; L43-P553 HydrophobicContact CD2-CG 4.03Å; L43-P553 HydrophobicContact CG-CG 3.87Å |
| 44 | N | 91 | Very high | 75.5 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 34% | 0.342 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 136.5 | 178.4 | -169.7 | -1.7 | 0 | 0 | 0 | 111.9 | K46 R551 | N44-K46 PolarHBondContact ND2-O 3.2Å; N44-K46 PolarHBondContact O-N 2.95Å; N44-K46 PolarHBondContact OD1-N 3.35Å; N44-R551 VanDerWaalsContact CB-O 3.23Å; N44-R551 WeakPolarHBondContact CB-O 3.36Å; N44-R551 PolarHBondContact N-O 3.49Å |
| 45 | D | 86.3 | Confident | 77.8 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -63.4 | -18.4 | 174.6 | -70.8 | 22.2 | 0 | 0 | 0 | 112.8 | P498 I556 | D45-P498 WeakPolarHBondContact OD1-CB 3.29Å; D45-I556 WeakPolarHBondContact O-CD1 3.47Å |
| 46 | K | 91.3 | Very high | 80.1 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -111.4 | 139.3 | 176.6 | -66.3 | -172.3 | -176 | -176.7 | 0 | 112.2 | N44 D50 L51 E54 P553 | N44-K46 PolarHBondContact ND2-O 3.2Å; N44-K46 PolarHBondContact O-N 2.95Å; N44-K46 PolarHBondContact OD1-N 3.35Å; K46-D50 HydrophobicContact CB-CB 4.27Å; K46-L51 HydrophobicContact CD-CD2 4.37Å; K46-E54 WeakPolarHBondContact CE-OE1 3.34Å; K46-E54 IonicContact NZ-OE1 3.46Å; K46-E54 PolarHBondContact NZ-OE1 2.57Å; K46-E54 IonicContact NZ-OE2 3.59Å; K46-E54 PolarHBondContact NZ-OE2 3.39Å; K46-P553 WeakPolarHBondContact O-CD 3.46Å |
| 47 | S | 93.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | trans | -89.7 | 168.5 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | T49 D50 L51 P553 | S47-T49 PolarHBondContact O-N 3.38Å; S47-T49 PolarHBondContact OG-N 2.87Å; S47-T49 PolarHBondContact OG-OG1 2.91Å; S47-D50 WeakPolarHBondContact CB-OD2 3.35Å; S47-D50 PolarHBondContact N-OD2 3.2Å; S47-D50 PolarHBondContact O-N 3.35Å; S47-D50 VanDerWaalsContact O-N 3.1Å; S47-D50 VanDerWaalsContact OG-CG 3.26Å; S47-D50 PolarHBondContact OG-N 3.02Å; S47-D50 PolarHBondContact OG-OD2 3.1Å; S47-L51 WeakPolarHBondContact O-CG 3.46Å; S47-L51 PolarHBondContact O-N 2.98Å; S47-P553 CarbonylContact C-O 3.59Å; S47-P553 WeakPolarHBondContact CA-O 3.37Å; S47-P553 VanDerWaalsContact CB-O 3.31Å; S47-P553 WeakPolarHBondContact CB-O 3.47Å | ||
| 48 | Y | 92.7 | Very high | 84.7 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.7 | -32.6 | 168.5 | -78.2 | -71.8 | 0 | 0 | 0 | 112.7 | L51 N52 D550 T552 P553 L554 | Y48-L51 PolarHBondContact O-N 3.36Å; Y48-N52 VanDerWaalsContact O-CB 3.3Å; Y48-N52 WeakPolarHBondContact O-CB 3.31Å; Y48-N52 PolarHBondContact O-N 3.04Å; Y48-N52 PolarHBondContact O-ND2 2.97Å; Y48-N52 VanDerWaalsContact O-ND2 3.14Å; Y48-D550 WeakPolarHBondContact CE2-OD2 3.33Å; Y48-D550 PolarHBondContact OH-OD2 3.11Å; Y48-T552 HydrophobicContact CD1-CG2 4.24Å; Y48-T552 HydrophobicContact CD2-CG2 3.71Å; Y48-T552 HydrophobicContact CE1-CG2 4.27Å; Y48-T552 HydrophobicContact CE2-CG2 3.75Å; Y48-T552 WeakPolarHBondContact CE2-O 3.3Å; Y48-T552 HydrophobicContact CG-CG2 3.97Å; Y48-P553 WeakPolarHBondContact CD2-O 3.19Å; Y48-P553 PolarHBondContact N-O 2.84Å; Y48-L554 HydrophobicContact CD2-CD2 4.29Å |
| 49 | T | 90.6 | Very high | 86.9 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 175.3 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | S47 W53 F75 L554 H555 | S47-T49 PolarHBondContact O-N 3.38Å; S47-T49 PolarHBondContact OG-N 2.87Å; S47-T49 PolarHBondContact OG-OG1 2.91Å; T49-W53 WeakPolarHBondContact O-CB 3.42Å; T49-W53 PolarHBondContact O-N 3.11Å; T49-F75 VanDerWaalsContact CG2-O 3.23Å; T49-F75 WeakPolarHBondContact CG2-O 3.2Å; T49-L554 WeakPolarHBondContact CG2-O 3.32Å; T49-H555 HydrophobicContact CG2-CB 4.06Å; T49-H555 WeakPolarHBondContact CG2-ND1 3.22Å; T49-H555 PolarHBondContact OG1-ND1 3.22Å |
| 50 | D | 91.9 | Very high | 88.6 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -38.8 | 177.2 | -52.6 | -56.3 | 0 | 0 | 0 | 111.7 | K46 S47 W53 E54 | K46-D50 HydrophobicContact CB-CB 4.27Å; S47-D50 WeakPolarHBondContact CB-OD2 3.35Å; S47-D50 PolarHBondContact N-OD2 3.2Å; S47-D50 PolarHBondContact O-N 3.35Å; S47-D50 VanDerWaalsContact O-N 3.1Å; S47-D50 VanDerWaalsContact OG-CG 3.26Å; S47-D50 PolarHBondContact OG-N 3.02Å; S47-D50 PolarHBondContact OG-OD2 3.1Å; D50-W53 WeakPolarHBondContact O-CB 3.27Å; D50-W53 PolarHBondContact O-N 3.38Å; D50-E54 WeakPolarHBondContact O-CB 3.47Å; D50-E54 WeakPolarHBondContact O-CG 3.46Å; D50-E54 PolarHBondContact O-N 3.42Å |
| 51 | L | 92.7 | Very high | 89.5 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 178.2 | -66.8 | 173 | 0 | 0 | 0 | 111.9 | K46 S47 Y48 W53 E54 Y55 T552 | K46-L51 HydrophobicContact CD-CD2 4.37Å; S47-L51 WeakPolarHBondContact O-CG 3.46Å; S47-L51 PolarHBondContact O-N 2.98Å; Y48-L51 PolarHBondContact O-N 3.36Å; L51-W53 VanDerWaalsContact C-N 3.33Å; L51-E54 PolarHBondContact O-N 3.33Å; L51-Y55 VanDerWaalsContact O-CB 3.26Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 PolarHBondContact O-N 2.91Å; L51-T552 HydrophobicContact CD1-CG2 3.79Å |
| 52 | N | 91 | Very high | 90.2 | Very high | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 174.5 | -73.7 | -28.3 | 0 | 0 | 0 | 111.3 | Y48 Y55 D56 F75 | Y48-N52 VanDerWaalsContact O-CB 3.3Å; Y48-N52 WeakPolarHBondContact O-CB 3.31Å; Y48-N52 PolarHBondContact O-N 3.04Å; Y48-N52 PolarHBondContact O-ND2 2.97Å; Y48-N52 VanDerWaalsContact O-ND2 3.14Å; N52-Y55 PolarHBondContact O-N 3.2Å; N52-D56 PolarHBondContact O-N 2.88Å; N52-F75 HydrophobicContact CB-CB 4.19Å; N52-F75 HydrophobicContact CB-CD1 3.84Å; N52-F75 HydrophobicContact CB-CD2 4.27Å; N52-F75 HydrophobicContact CB-CE1 4.29Å; N52-F75 HydrophobicContact CB-CG 3.83Å |
| 53 | W | 89.5 | Confident | 90.4 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -52.1 | 173.7 | 173.7 | -103 | 0 | 0 | 0 | 112.6 | T49 D50 L51 Y55 D56 I57 W72 F75 Q747 N748 | T49-W53 WeakPolarHBondContact O-CB 3.42Å; T49-W53 PolarHBondContact O-N 3.11Å; D50-W53 WeakPolarHBondContact O-CB 3.27Å; D50-W53 PolarHBondContact O-N 3.38Å; L51-W53 VanDerWaalsContact C-N 3.33Å; W53-Y55 VanDerWaalsContact C-N 3.33Å; W53-Y55 PolarHBondContact O-N 2.78Å; W53-D56 PolarHBondContact O-N 3.24Å; W53-I57 HydrophobicContact CD2-CD1 4.19Å; W53-I57 HydrophobicContact CG-CD1 4.37Å; W53-I57 HydrophobicContact CH2-CD1 4.46Å; W53-I57 HydrophobicContact CH2-CG1 4.43Å; W53-I57 HydrophobicContact CZ2-CD1 3.48Å; W53-I57 VanDerWaalsContact CZ2-CD1 3.48Å; W53-I57 HydrophobicContact CZ2-CG1 3.89Å; W53-I57 PolarHBondContact O-N 3.26Å; W53-W72 AromaticContact CE3-NE1 3.88Å; W53-W72 AromaticContact CH2-CD1 3.53Å; W53-W72 HydrophobicContact CH2-CD2 4.33Å; W53-W72 AromaticContact CH2-CE2 3.9Å; W53-W72 HydrophobicContact CH2-CG 4.1Å; W53-W72 AromaticContact CH2-NE1 3.36Å; W53-W72 AromaticContact CZ3-CD1 3.09Å; W53-W72 HydrophobicContact CZ3-CG 4.02Å; W53-W72 AromaticContact CZ3-NE1 3.1Å; W53-F75 HydrophobicContact CB-CD2 4.17Å; W53-F75 HydrophobicContact CE3-CD2 4.22Å; W53-F75 HydrophobicContact CE3-CE2 4.32Å; W53-Q747 HydrophobicContact CH2-CB 4.07Å; W53-Q747 WeakPolarHBondContact CH2-O 3.31Å; W53-Q747 HydrophobicContact CZ2-CB 3.87Å; W53-Q747 WeakPolarHBondContact CZ3-O 3.42Å; W53-N748 VanDerWaalsContact CZ3-CA 3.42Å |
| 54 | E | 90.5 | Very high | 90.3 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 177.6 | -76.5 | -176.8 | -177.3 | 0 | 0 | 113.1 | K46 D50 L51 R58 | K46-E54 WeakPolarHBondContact CE-OE1 3.34Å; K46-E54 IonicContact NZ-OE1 3.46Å; K46-E54 PolarHBondContact NZ-OE1 2.57Å; K46-E54 IonicContact NZ-OE2 3.59Å; K46-E54 PolarHBondContact NZ-OE2 3.39Å; D50-E54 WeakPolarHBondContact O-CB 3.47Å; D50-E54 WeakPolarHBondContact O-CG 3.46Å; D50-E54 PolarHBondContact O-N 3.42Å; L51-E54 PolarHBondContact O-N 3.33Å; E54-R58 WeakPolarHBondContact O-CB 3.41Å; E54-R58 PolarHBondContact O-N 2.96Å |
| 55 | Y | 89.5 | Confident | 90.2 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 43% | 0.431 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 175 | -174.4 | -96.5 | 0 | 0 | 0 | 111.2 | L51 N52 W53 R58 R59 W676 | L51-Y55 VanDerWaalsContact O-CB 3.26Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 PolarHBondContact O-N 2.91Å; N52-Y55 PolarHBondContact O-N 3.2Å; W53-Y55 VanDerWaalsContact C-N 3.33Å; W53-Y55 PolarHBondContact O-N 2.78Å; Y55-R58 PolarHBondContact O-N 2.81Å; Y55-R59 VanDerWaalsContact CE1-CD 3.45Å; Y55-R59 PolarHBondContact O-N 2.77Å; Y55-R59 PolarHBondContact OH-NE 2.96Å; Y55-W676 HydrophobicContact CE1-CH2 4.34Å; Y55-W676 HydrophobicContact CE1-CZ2 4.06Å; Y55-W676 VanDerWaalsContact OH-CZ2 3.25Å; Y55-W676 WeakPolarHBondContact OH-CZ2 3.43Å |
| 56 | D | 89 | Confident | 90.3 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.1 | -39.1 | -179.1 | -156.8 | 57.6 | 0 | 0 | 0 | 113.1 | N52 W53 R58 R59 S60 W63 F75 R733 | N52-D56 PolarHBondContact O-N 2.88Å; W53-D56 PolarHBondContact O-N 3.24Å; D56-R58 VanDerWaalsContact C-N 3.28Å; D56-R58 PolarHBondContact O-N 3.47Å; D56-R59 CarbonylContact O-C 3.6Å; D56-R59 PolarHBondContact O-N 2.92Å; D56-R59 VanDerWaalsContact O-N 3.15Å; D56-S60 WeakPolarHBondContact O-CA 3.47Å; D56-S60 WeakPolarHBondContact O-CB 3.25Å; D56-S60 PolarHBondContact O-N 2.76Å; D56-W63 PolarHBondContact OD1-NE1 3.37Å; D56-F75 HydrophobicContact CB-CE2 4.05Å; D56-F75 HydrophobicContact CB-CZ 3.85Å; D56-R733 IonicContact OD1-CZ 3.32Å; D56-R733 VanDerWaalsContact OD1-CZ 3.31Å; D56-R733 IonicContact OD1-NH1 3.09Å; D56-R733 PolarHBondContact OD1-NH1 2.75Å; D56-R733 IonicContact OD1-NH2 2.69Å; D56-R733 PolarHBondContact OD1-NH2 3.11Å; D56-R733 IonicContact OD2-CZ 2.67Å; D56-R733 IonicContact OD2-NH1 2.71Å; D56-R733 PolarHBondContact OD2-NH1 3.27Å; D56-R733 IonicContact OD2-NH2 3.55Å; D56-R733 PolarHBondContact OD2-NH2 3.15Å |
| 57 | I | 88.6 | Confident | 90.1 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.3 | -49.9 | 171 | -71.4 | 163.6 | 0 | 0 | 0 | 110.2 | W53 R59 S60 W72 | W53-I57 HydrophobicContact CD2-CD1 4.19Å; W53-I57 HydrophobicContact CG-CD1 4.37Å; W53-I57 HydrophobicContact CH2-CD1 4.46Å; W53-I57 HydrophobicContact CH2-CG1 4.43Å; W53-I57 HydrophobicContact CZ2-CD1 3.48Å; W53-I57 VanDerWaalsContact CZ2-CD1 3.48Å; W53-I57 HydrophobicContact CZ2-CG1 3.89Å; W53-I57 PolarHBondContact O-N 3.26Å; I57-R59 PolarHBondContact O-N 2.88Å; I57-S60 WeakPolarHBondContact O-CB 3.42Å; I57-S60 PolarHBondContact O-N 2.72Å; I57-S60 PolarHBondContact O-OG 2.81Å; I57-W72 HydrophobicContact CG1-CZ2 3.96Å |
| 58 | R | 88.5 | Confident | 89.6 | Confident | 181 Ų | 181 | 56.4 Ų | 56.4 | 68% | 0.683 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.9 | -30.6 | -176.3 | -165.5 | -176.3 | -55.6 | -176.6 | 4.4 | 112.3 | E54 Y55 D56 | E54-R58 WeakPolarHBondContact O-CB 3.41Å; E54-R58 PolarHBondContact O-N 2.96Å; Y55-R58 PolarHBondContact O-N 2.81Å; D56-R58 VanDerWaalsContact C-N 3.28Å; D56-R58 PolarHBondContact O-N 3.47Å |
| 59 | R | 88.8 | Confident | 88.9 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -105.5 | -5.8 | -175.6 | -64.1 | 177.3 | 63.3 | 74.3 | -1.8 | 114.1 | Y55 D56 I57 K61 L62 N673 W676 | Y55-R59 VanDerWaalsContact CE1-CD 3.45Å; Y55-R59 PolarHBondContact O-N 2.77Å; Y55-R59 PolarHBondContact OH-NE 2.96Å; D56-R59 CarbonylContact O-C 3.6Å; D56-R59 PolarHBondContact O-N 2.92Å; D56-R59 VanDerWaalsContact O-N 3.15Å; I57-R59 PolarHBondContact O-N 2.88Å; R59-K61 PolarHBondContact O-N 3Å; R59-L62 HydrophobicContact CB-CD1 4.23Å; R59-L62 HydrophobicContact CG-CD1 4.2Å; R59-L62 VanDerWaalsContact O-CB 3.32Å; R59-L62 WeakPolarHBondContact O-CB 3.13Å; R59-L62 PolarHBondContact O-N 3.03Å; R59-N673 PolarHBondContact NH2-ND2 2.77Å; R59-W676 PolarHBondContact NH1-O 3.49Å; R59-W676 VanDerWaalsContact NH1-O 3.13Å; R59-W676 VanDerWaalsContact NH2-CG 3.33Å; R59-W676 PolarHBondContact NH2-O 3Å |
| 60 | S | 88.3 | Confident | 88.5 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -36.6 | 179.3 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | D56 I57 L62 W72 | D56-S60 WeakPolarHBondContact O-CA 3.47Å; D56-S60 WeakPolarHBondContact O-CB 3.25Å; D56-S60 PolarHBondContact O-N 2.76Å; I57-S60 WeakPolarHBondContact O-CB 3.42Å; I57-S60 PolarHBondContact O-N 2.72Å; I57-S60 PolarHBondContact O-OG 2.81Å; S60-L62 VanDerWaalsContact C-N 3.34Å; S60-L62 PolarHBondContact O-N 2.96Å; S60-W72 VanDerWaalsContact CB-CH2 3.41Å |
| 61 | K | 88.3 | Confident | 88.2 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.4 | 177.5 | 65.3 | 170.2 | -177.6 | 164.3 | 0 | 114.7 | R59 T679 D680 T681 | R59-K61 PolarHBondContact O-N 3Å; K61-T679 WeakPolarHBondContact CE-O 3.46Å; K61-T679 PolarHBondContact NZ-O 3.23Å; K61-D680 WeakPolarHBondContact CE-OD1 3.48Å; K61-D680 IonicContact NZ-OD1 3.07Å; K61-D680 PolarHBondContact NZ-OD1 3.45Å; K61-T681 WeakPolarHBondContact O-CG2 3.23Å |
| 62 | L | 91.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -23 | -176.1 | -56.2 | 175.2 | 0 | 0 | 0 | 112.3 | R59 S60 A678 T681 Q684 | R59-L62 HydrophobicContact CB-CD1 4.23Å; R59-L62 HydrophobicContact CG-CD1 4.2Å; R59-L62 VanDerWaalsContact O-CB 3.32Å; R59-L62 WeakPolarHBondContact O-CB 3.13Å; R59-L62 PolarHBondContact O-N 3.03Å; S60-L62 VanDerWaalsContact C-N 3.34Å; S60-L62 PolarHBondContact O-N 2.96Å; L62-A678 VanDerWaalsContact CD1-O 3.3Å; L62-A678 WeakPolarHBondContact CD1-O 3.44Å; L62-T681 HydrophobicContact CD2-CG2 4.43Å; L62-Q684 PolarHBondContact O-NE2 2.73Å |
| 63 | W | 92.5 | Very high | 87.7 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 4% | 0.038 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -68.5 | 140.1 | 171.7 | -66.5 | 109.3 | 0 | 0 | 0 | 111 | D56 P65 K66 Q671 N673 W676 R733 | D56-W63 PolarHBondContact OD1-NE1 3.37Å; W63-P65 CarbonylContact C-O 3.53Å; W63-P65 CarbonylContact O-C 3.55Å; W63-P65 VanDerWaalsContact O-C 3.26Å; W63-K66 WeakPolarHBondContact O-CA 3.43Å; W63-K66 PolarHBondContact O-N 3.03Å; W63-Q671 HydrophobicContact CB-CB 4.36Å; W63-Q671 HydrophobicContact CD2-CB 4.3Å; W63-Q671 HydrophobicContact CE3-CB 3.76Å; W63-Q671 HydrophobicContact CZ3-CB 4.41Å; W63-N673 HydrophobicContact CD2-CB 4.22Å; W63-N673 HydrophobicContact CE3-CB 3.8Å; W63-N673 HydrophobicContact CZ3-CB 3.99Å; W63-W676 HydrophobicContact CH2-CH2 4.5Å; W63-W676 AromaticContact CH2-CZ3 3.79Å; W63-W676 HydrophobicContact CH2-CZ3 3.79Å; W63-W676 HydrophobicContact CZ2-CH2 4.13Å; W63-W676 AromaticContact CZ2-CZ3 3.67Å; W63-W676 HydrophobicContact CZ2-CZ3 3.67Å; W63-R733 HydrophobicContact CE3-CG 4.39Å; W63-R733 HydrophobicContact CH2-CB 4.32Å; W63-R733 HydrophobicContact CH2-CG 3.8Å; W63-R733 HydrophobicContact CZ2-CG 4.18Å; W63-R733 HydrophobicContact CZ3-CG 3.92Å |
| 64 | S | 90.4 | Very high | 87.5 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 118.9 | 175.6 | -65.8 | 0 | 0 | 0 | 0 | 109.4 | I672 | S64-I672 PolarHBondContact N-O 2.96Å; S64-I672 PolarHBondContact O-N 3.14Å |
| 65 | P | 89.1 | Confident | 87.5 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | S | Bend | cis | -61.2 | 157.6 | -11.3 | 30.5 | -36.5 | 0 | 0 | 0 | 112.1 | W63 I669 H670 Q671 | W63-P65 CarbonylContact C-O 3.53Å; W63-P65 CarbonylContact O-C 3.55Å; W63-P65 VanDerWaalsContact O-C 3.26Å; P65-I669 HydrophobicContact CG-CG2 4.22Å; P65-H670 WeakPolarHBondContact CD-O 3.13Å; P65-Q671 PolarHBondContact O-NE2 2.83Å |
| 66 | K | 87.4 | Confident | 87.4 | Confident | 138 Ų | 138 | 49.1 Ų | 49.1 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | trans | -60.6 | 143.5 | 176 | -68 | -177.4 | 179.2 | 178.2 | 0 | 110.4 | W63 P68 | W63-K66 WeakPolarHBondContact O-CA 3.43Å; W63-K66 PolarHBondContact O-N 3.03Å; K66-P68 WeakPolarHBondContact O-CD 3.47Å; K66-P68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | T | 87.1 | Confident | 87.3 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | trans | -56 | 115 | -179.2 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | W72 Q671 R733 L735 | T67-W72 HydrophobicContact CG2-CD2 3.66Å; T67-W72 HydrophobicContact CG2-CE3 3.37Å; T67-W72 HydrophobicContact CG2-CG 4.31Å; T67-W72 HydrophobicContact CG2-CH2 4.15Å; T67-W72 HydrophobicContact CG2-CZ2 4.35Å; T67-W72 HydrophobicContact CG2-CZ3 3.63Å; T67-Q671 VanDerWaalsContact CA-NE2 3.26Å; T67-Q671 VanDerWaalsContact N-NE2 3.14Å; T67-Q671 PolarHBondContact OG1-NE2 2.79Å; T67-Q671 VanDerWaalsContact OG1-NE2 3.09Å; T67-R733 PolarHBondContact OG1-NH2 3.04Å; T67-L735 HydrophobicContact CG2-CD1 3.83Å | ||
| 68 | P | 84.1 | Confident | 87.3 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | trans | -69.1 | 136.4 | 177.8 | -19.9 | 34.5 | 0 | 0 | 0 | 110.8 | K66 N70 V71 I669 | K66-P68 WeakPolarHBondContact O-CD 3.47Å; K66-P68 VanDerWaalsContact O-N 3.15Å; P68-N70 VanDerWaalsContact CB-OD1 3.3Å; P68-N70 WeakPolarHBondContact CB-OD1 3.48Å; P68-N70 PolarHBondContact O-N 2.87Å; P68-N70 VanDerWaalsContact O-N 3.15Å; P68-V71 PolarHBondContact O-N 3.29Å; P68-V71 VanDerWaalsContact O-N 3.16Å; P68-I669 HydrophobicContact CG-CD1 4.05Å | ||
| 69 | L | 78.5 | Confident | 87.3 | Confident | 150 Ų | 150 | 38.6 Ų | 38.6 | 79% | 0.785 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -57.8 | -28.8 | 179 | -76.6 | 164.5 | 0 | 0 | 0 | 113.1 | W72 V744 | L69-W72 HydrophobicContact CD2-CZ3 4.48Å; L69-V744 WeakPolarHBondContact O-CG2 3.28Å |
| 70 | N | 82.1 | Confident | 87.3 | Confident | 71 Ų | 71 | 40 Ų | 40 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -88 | -5.1 | -177 | 69.3 | -46.9 | 0 | 0 | 0 | 114.9 | P68 N743 V744 | P68-N70 VanDerWaalsContact CB-OD1 3.3Å; P68-N70 WeakPolarHBondContact CB-OD1 3.48Å; P68-N70 PolarHBondContact O-N 2.87Å; P68-N70 VanDerWaalsContact O-N 3.15Å; N70-N743 HydrophobicContact CB-CB 4.06Å; N70-N743 WeakPolarHBondContact CB-OD1 3.07Å; N70-N743 PolarHBondContact ND2-OD1 3.09Å; N70-V744 PolarHBondContact O-N 3.19Å; N70-V744 VanDerWaalsContact O-N 3.16Å |
| 71 | V | 83.7 | Confident | 87.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -132.1 | 30.9 | -178 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | P68 I669 L735 P737 | P68-V71 PolarHBondContact O-N 3.29Å; P68-V71 VanDerWaalsContact O-N 3.16Å; V71-I669 HydrophobicContact CB-CD1 4.02Å; V71-I669 HydrophobicContact CG1-CD1 4.01Å; V71-I669 HydrophobicContact CG2-CD1 3.86Å; V71-L735 HydrophobicContact CG1-CB 4Å; V71-P737 HydrophobicContact CG1-CB 4.32Å; V71-P737 HydrophobicContact CG1-CG 4.16Å |
| 72 | W | 87 | Confident | 86.6 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | trans | -63.8 | 142.2 | -174 | -154.1 | -79.3 | 0 | 0 | 0 | 112.1 | W53 I57 S60 T67 L69 G749 R759 | W53-W72 AromaticContact CE3-NE1 3.88Å; W53-W72 AromaticContact CH2-CD1 3.53Å; W53-W72 HydrophobicContact CH2-CD2 4.33Å; W53-W72 AromaticContact CH2-CE2 3.9Å; W53-W72 HydrophobicContact CH2-CG 4.1Å; W53-W72 AromaticContact CH2-NE1 3.36Å; W53-W72 AromaticContact CZ3-CD1 3.09Å; W53-W72 HydrophobicContact CZ3-CG 4.02Å; W53-W72 AromaticContact CZ3-NE1 3.1Å; I57-W72 HydrophobicContact CG1-CZ2 3.96Å; S60-W72 VanDerWaalsContact CB-CH2 3.41Å; T67-W72 HydrophobicContact CG2-CD2 3.66Å; T67-W72 HydrophobicContact CG2-CE3 3.37Å; T67-W72 HydrophobicContact CG2-CG 4.31Å; T67-W72 HydrophobicContact CG2-CH2 4.15Å; T67-W72 HydrophobicContact CG2-CZ2 4.35Å; T67-W72 HydrophobicContact CG2-CZ3 3.63Å; L69-W72 HydrophobicContact CD2-CZ3 4.48Å; W72-G749 WeakPolarHBondContact O-CA 3.36Å; W72-R759 PolarHBondContact O-NH1 2.85Å; W72-R759 PolarHBondContact O-NH2 2.85Å | ||
| 73 | P | 86.5 | Confident | 85.5 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | trans | -67 | 140.2 | 176.2 | 26 | -35.8 | 0 | 0 | 0 | 112.5 | F75 L735 | P73-F75 HydrophobicContact CB-CE1 4.46Å; P73-F75 HydrophobicContact CB-CE2 4.4Å; P73-F75 HydrophobicContact CB-CZ 4.03Å; P73-F75 HydrophobicContact CG-CE2 4.11Å; P73-F75 HydrophobicContact CG-CZ 3.82Å; P73-L735 HydrophobicContact CB-CD2 4.14Å; P73-L735 HydrophobicContact CG-CD2 4.09Å | ||
| 74 | D | 86.7 | Confident | 84.2 | Confident | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | trans | -104.1 | 123.7 | 175.7 | 175.4 | 13.5 | 0 | 0 | 0 | 110.2 | K76 R608 N748 | D74-K76 WeakPolarHBondContact OD1-CB 3.31Å; D74-K76 WeakPolarHBondContact OD1-CG 3.46Å; D74-K76 PolarHBondContact OD1-N 2.78Å; D74-K76 IonicContact OD1-NZ 2.73Å; D74-K76 PolarHBondContact OD1-NZ 2.93Å; D74-K76 IonicContact OD2-NZ 2.89Å; D74-K76 PolarHBondContact OD2-NZ 2.88Å; D74-R608 PolarHBondContact O-NH2 3.29Å; D74-R608 IonicContact OD1-NH2 3.73Å; D74-R608 IonicContact OD2-CZ 2.65Å; D74-R608 VanDerWaalsContact OD2-CZ 3.26Å; D74-R608 IonicContact OD2-NH1 2.78Å; D74-R608 PolarHBondContact OD2-NH1 2.84Å; D74-R608 IonicContact OD2-NH2 3.74Å; D74-R608 PolarHBondContact OD2-NH2 3.11Å; D74-N748 WeakPolarHBondContact CA-O 3.43Å; D74-N748 WeakPolarHBondContact CB-O 3.32Å | ||
| 75 | F | 89.1 | Confident | 82.9 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | trans | -96.4 | 0.2 | -176.8 | -58.9 | -73.1 | 0 | 0 | 0 | 114.3 | T49 N52 W53 D56 P73 F761 | T49-F75 VanDerWaalsContact CG2-O 3.23Å; T49-F75 WeakPolarHBondContact CG2-O 3.2Å; N52-F75 HydrophobicContact CB-CB 4.19Å; N52-F75 HydrophobicContact CB-CD1 3.84Å; N52-F75 HydrophobicContact CB-CD2 4.27Å; N52-F75 HydrophobicContact CB-CE1 4.29Å; N52-F75 HydrophobicContact CB-CG 3.83Å; W53-F75 HydrophobicContact CB-CD2 4.17Å; W53-F75 HydrophobicContact CE3-CD2 4.22Å; W53-F75 HydrophobicContact CE3-CE2 4.32Å; D56-F75 HydrophobicContact CB-CE2 4.05Å; D56-F75 HydrophobicContact CB-CZ 3.85Å; P73-F75 HydrophobicContact CB-CE1 4.46Å; P73-F75 HydrophobicContact CB-CE2 4.4Å; P73-F75 HydrophobicContact CB-CZ 4.03Å; P73-F75 HydrophobicContact CG-CE2 4.11Å; P73-F75 HydrophobicContact CG-CZ 3.82Å; F75-F761 HydrophobicContact CD1-CE2 4.38Å | ||
| 76 | K | 88.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 11% | 0.109 | 20% | 0.202 | C | C | . | . | trans | -68.4 | 130.8 | -177.7 | -65 | -174.7 | -63.1 | -61.1 | 0 | 111.9 | D74 Q79 R608 T750 | D74-K76 WeakPolarHBondContact OD1-CB 3.31Å; D74-K76 WeakPolarHBondContact OD1-CG 3.46Å; D74-K76 PolarHBondContact OD1-N 2.78Å; D74-K76 IonicContact OD1-NZ 2.73Å; D74-K76 PolarHBondContact OD1-NZ 2.93Å; D74-K76 IonicContact OD2-NZ 2.89Å; D74-K76 PolarHBondContact OD2-NZ 2.88Å; K76-Q79 HydrophobicContact CD-CG 4.49Å; K76-R608 PolarHBondContact O-NE 3.32Å; K76-R608 PolarHBondContact O-NH2 3.4Å; K76-T750 WeakPolarHBondContact CE-OG1 3.43Å; K76-T750 PolarHBondContact NZ-OG1 3.41Å | ||
| 77 | L | 85.7 | Confident | 80.8 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -82.3 | -29.1 | 177 | -62.2 | 172.1 | 0 | 0 | 0 | 111.9 | Y514 L554 R608 F761 | L77-Y514 HydrophobicContact CB-CE1 3.76Å; L77-Y514 PolarHBondContact O-OH 3.07Å; L77-L554 HydrophobicContact CD1-CB 4.31Å; L77-R608 WeakPolarHBondContact O-CB 3.49Å; L77-R608 PolarHBondContact O-N 3.28Å; L77-F761 HydrophobicContact CD2-CB 4.49Å; L77-F761 HydrophobicContact CD2-CD1 3.82Å; L77-F761 HydrophobicContact CD2-CD2 4.02Å; L77-F761 HydrophobicContact CD2-CE1 4Å; L77-F761 HydrophobicContact CD2-CE2 4.18Å; L77-F761 HydrophobicContact CD2-CG 3.83Å; L77-F761 HydrophobicContact CD2-CZ 4.18Å |
| 78 | I | 89.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150 | 175.4 | -150.1 | 176.4 | 0 | 0 | 0 | 109.2 | Y514 L540 L557 L585 A606 | I78-Y514 WeakPolarHBondContact CB-OH 3.4Å; I78-Y514 WeakPolarHBondContact CG1-OH 3.4Å; I78-L540 HydrophobicContact CG2-CD2 4.02Å; I78-L557 HydrophobicContact CG2-CD1 4.39Å; I78-L557 HydrophobicContact CG2-CD2 3.8Å; I78-L557 HydrophobicContact CG2-CG 4.46Å; I78-L585 HydrophobicContact CD1-CB 3.85Å; I78-A606 WeakPolarHBondContact CA-O 3.32Å; I78-A606 VanDerWaalsContact CG1-O 3.26Å; I78-A606 WeakPolarHBondContact CG1-O 3.37Å |
| 79 | Q | 89.1 | Confident | 78 | Confident | 21 Ų | 21 | 41 Ų | 41 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 153.5 | 171.9 | -156 | -167.2 | -83.8 | 0 | 0 | 112.1 | K76 Y605 A606 T750 W756 | K76-Q79 HydrophobicContact CD-CG 4.49Å; Q79-Y605 CarbonylContact O-C 3.5Å; Q79-Y605 VanDerWaalsContact O-CA 3.24Å; Q79-Y605 WeakPolarHBondContact O-CA 3.43Å; Q79-A606 PolarHBondContact N-O 3.4Å; Q79-A606 PolarHBondContact O-N 3.32Å; Q79-T750 PolarHBondContact OE1-OG1 3.14Å; Q79-W756 HydrophobicContact CB-CD2 3.94Å; Q79-W756 HydrophobicContact CB-CE3 3.67Å; Q79-W756 HydrophobicContact CB-CH2 3.68Å; Q79-W756 HydrophobicContact CB-CZ2 3.92Å; Q79-W756 HydrophobicContact CB-CZ3 3.56Å; Q79-W756 HydrophobicContact CG-CD2 4.43Å; Q79-W756 VanDerWaalsContact O-CH2 3.22Å; Q79-W756 WeakPolarHBondContact O-CH2 3.43Å |
| 80 | E | 88.8 | Confident | 76.9 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 27% | 0.266 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 136.2 | 170.9 | 175.4 | 173.9 | 177.8 | 0 | 0 | 111.8 | D82 Q600 I603 V604 Y605 W756 | E80-D82 PolarHBondContact O-N 2.79Å; E80-D82 VanDerWaalsContact O-N 3.15Å; E80-Q600 PolarHBondContact OE1-NE2 3.13Å; E80-I603 HydrophobicContact CB-CG2 4.22Å; E80-I603 HydrophobicContact CG-CG2 3.66Å; E80-V604 WeakPolarHBondContact CA-O 3.42Å; E80-Y605 HydrophobicContact CB-CD1 4.08Å; E80-Y605 HydrophobicContact CB-CE1 3.88Å; E80-W756 VanDerWaalsContact O-CZ2 3.3Å; E80-W756 WeakPolarHBondContact O-CZ2 3.47Å |
| 81 | C | 86.6 | Confident | 75.5 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | trans | -72.5 | 95.8 | 170.9 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | T83 F86 L184 V604 | C81-T83 PolarHBondContact O-N 2.97Å; C81-F86 HydrophobicContact CB-CD1 4.11Å; C81-F86 HydrophobicContact CB-CD2 4.31Å; C81-F86 HydrophobicContact CB-CE1 4.12Å; C81-F86 HydrophobicContact CB-CE2 4.31Å; C81-F86 HydrophobicContact CB-CG 4.21Å; C81-F86 HydrophobicContact CB-CZ 4.2Å; C81-L184 HydrophobicContact CB-CD1 3.72Å; C81-V604 HydrophobicContact CB-CB 4.44Å; C81-V604 WeakPolarHBondContact CB-O 3.17Å; C81-V604 PolarHBondContact N-O 2.87Å; C81-V604 PolarHBondContact SG-O 3Å; C81-V604 VanDerWaalsContact SG-O 3.41Å | ||
| 82 | D | 73.6 | Confident | 74.4 | Confident | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | trans | -88.2 | 4.5 | -168.8 | 67.2 | -45.3 | 0 | 0 | 0 | 115.2 | E80 K87 D753 G754 W756 | E80-D82 PolarHBondContact O-N 2.79Å; E80-D82 VanDerWaalsContact O-N 3.15Å; D82-K87 WeakPolarHBondContact O-CE 3.08Å; D82-K87 PolarHBondContact O-NZ 3.49Å; D82-D753 PolarHBondContact OD2-N 3.4Å; D82-G754 PolarHBondContact OD1-N 2.72Å; D82-G754 VanDerWaalsContact OD1-N 3.09Å; D82-W756 PolarHBondContact OD1-NE1 2.03Å | ||
| 83 | T | 69 | Low | 73 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | trans | -71.5 | 150.7 | -174.8 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | C81 D85 F86 K87 L184 D753 | C81-T83 PolarHBondContact O-N 2.97Å; T83-D85 PolarHBondContact O-N 3.16Å; T83-F86 PolarHBondContact O-N 3.26Å; T83-F86 VanDerWaalsContact O-N 3.13Å; T83-F86 VanDerWaalsContact OG1-CD2 3.3Å; T83-F86 WeakPolarHBondContact OG1-CD2 3.34Å; T83-K87 PolarHBondContact O-N 3.34Å; T83-L184 HydrophobicContact CG2-CD1 3.63Å; T83-L184 HydrophobicContact CG2-CG 3.85Å; T83-L184 WeakPolarHBondContact OG1-CD1 3.39Å; T83-D753 WeakPolarHBondContact CG2-O 3.35Å | ||
| 84 | D | 65 | Low | 71.7 | Confident | 97 Ų | 97 | 35.9 Ų | 35.9 | 52% | 0.519 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -26.9 | 176.3 | -73.6 | -8.5 | 0 | 0 | 0 | 112.9 | F86 K87 L88 | D84-F86 VanDerWaalsContact C-N 3.31Å; D84-F86 PolarHBondContact O-N 2.9Å; D84-K87 CarbonylContact O-C 3.56Å; D84-K87 PolarHBondContact O-N 2.83Å; D84-K87 WeakPolarHBondContact OD1-CD 3.28Å; D84-K87 IonicContact OD1-NZ 3.73Å; D84-K87 PolarHBondContact OD1-NZ 2.96Å; D84-L88 WeakPolarHBondContact O-CB 3.27Å; D84-L88 PolarHBondContact O-N 2.93Å |
| 85 | D | 63.3 | Low | 70.3 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53.7 | -44.9 | 171.5 | -103.3 | 20.4 | 0 | 0 | 0 | 112.5 | T83 S89 K177 | T83-D85 PolarHBondContact O-N 3.16Å; D85-S89 WeakPolarHBondContact O-CB 3.14Å; D85-S89 PolarHBondContact O-N 3.27Å; D85-K177 IonicContact OD2-NZ 2.69Å; D85-K177 PolarHBondContact OD2-NZ 3.29Å |
| 86 | F | 68.6 | Low | 68.8 | Low | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.7 | -37 | 179.4 | -79.6 | -109.5 | 0 | 0 | 0 | 111 | C81 T83 D84 N90 L174 L184 F186 F188 V604 | C81-F86 HydrophobicContact CB-CD1 4.11Å; C81-F86 HydrophobicContact CB-CD2 4.31Å; C81-F86 HydrophobicContact CB-CE1 4.12Å; C81-F86 HydrophobicContact CB-CE2 4.31Å; C81-F86 HydrophobicContact CB-CG 4.21Å; C81-F86 HydrophobicContact CB-CZ 4.2Å; T83-F86 PolarHBondContact O-N 3.26Å; T83-F86 VanDerWaalsContact O-N 3.13Å; T83-F86 VanDerWaalsContact OG1-CD2 3.3Å; T83-F86 WeakPolarHBondContact OG1-CD2 3.34Å; D84-F86 VanDerWaalsContact C-N 3.31Å; D84-F86 PolarHBondContact O-N 2.9Å; F86-N90 PolarHBondContact O-N 3.04Å; F86-N90 PolarHBondContact O-ND2 2.87Å; F86-L174 HydrophobicContact CE1-CD2 3.66Å; F86-L174 HydrophobicContact CZ-CD2 3.66Å; F86-L184 HydrophobicContact CD2-CD1 4.02Å; F86-L184 HydrophobicContact CE2-CD1 3.62Å; F86-L184 HydrophobicContact CZ-CD1 4.38Å; F86-F186 HydrophobicContact CZ-CD2 4.32Å; F86-F186 AromaticContact CZ-CE2 3.87Å; F86-F186 HydrophobicContact CZ-CE2 3.87Å; F86-F186 HydrophobicContact CZ-CZ 4.09Å; F86-F188 AromaticContact CD1-CD2 3.93Å; F86-F188 HydrophobicContact CD1-CD2 3.93Å; F86-F188 AromaticContact CD1-CE2 3.58Å; F86-F188 HydrophobicContact CD1-CE2 3.58Å; F86-F188 HydrophobicContact CE1-CD2 4.05Å; F86-F188 AromaticContact CE1-CE2 3.66Å; F86-F188 HydrophobicContact CE1-CE2 3.66Å; F86-F188 HydrophobicContact CG-CD2 4.31Å; F86-F188 HydrophobicContact CG-CE2 4.37Å; F86-V604 HydrophobicContact CD1-CB 4.19Å; F86-V604 HydrophobicContact CD1-CG2 4.09Å; F86-V604 HydrophobicContact CE1-CB 3.78Å; F86-V604 HydrophobicContact CE1-CG1 4.07Å; F86-V604 HydrophobicContact CE1-CG2 3.76Å |
| 87 | K | 63.7 | Low | 67.3 | Low | 94 Ų | 94 | 41.1 Ų | 41.1 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 173.4 | -58.1 | 172.9 | -156.8 | 143.3 | 0 | 112 | D82 T83 D84 N90 T91 | D82-K87 WeakPolarHBondContact O-CE 3.08Å; D82-K87 PolarHBondContact O-NZ 3.49Å; T83-K87 PolarHBondContact O-N 3.34Å; D84-K87 CarbonylContact O-C 3.56Å; D84-K87 PolarHBondContact O-N 2.83Å; D84-K87 WeakPolarHBondContact OD1-CD 3.28Å; D84-K87 IonicContact OD1-NZ 3.73Å; D84-K87 PolarHBondContact OD1-NZ 2.96Å; K87-N90 WeakPolarHBondContact O-CB 3.41Å; K87-N90 PolarHBondContact O-N 2.81Å; K87-T91 PolarHBondContact O-N 2.97Å |
| 88 | L | 57.4 | Low | 65.6 | Low | 105 Ų | 105 | 44.8 Ų | 44.8 | 55% | 0.55 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.3 | -41.1 | -179.9 | -135.4 | 86.6 | 0 | 0 | 0 | 111.2 | D84 N90 T91 | D84-L88 WeakPolarHBondContact O-CB 3.27Å; D84-L88 PolarHBondContact O-N 2.93Å; L88-N90 PolarHBondContact O-N 2.79Å; L88-T91 WeakPolarHBondContact O-CB 3.36Å; L88-T91 PolarHBondContact O-N 2.88Å; L88-T91 PolarHBondContact O-OG1 2.77Å |
| 89 | S | 55.3 | Low | 63.5 | Low | 12 Ų | 12 | 51.1 Ų | 51.1 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57 | -39.6 | 174.5 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | D85 T91 N92 F93 F188 | D85-S89 WeakPolarHBondContact O-CB 3.14Å; D85-S89 PolarHBondContact O-N 3.27Å; S89-T91 PolarHBondContact O-N 2.84Å; S89-N92 WeakPolarHBondContact O-CB 3.35Å; S89-N92 PolarHBondContact O-N 2.68Å; S89-N92 VanDerWaalsContact O-N 3.1Å; S89-F93 PolarHBondContact O-N 3.04Å; S89-F188 VanDerWaalsContact OG-CB 3.29Å; S89-F188 WeakPolarHBondContact OG-CB 3.49Å; S89-F188 WeakPolarHBondContact OG-CD2 3.26Å; S89-F188 VanDerWaalsContact OG-CG 3.24Å; S89-F188 WeakPolarHBondContact OG-CG 3.29Å |
| 90 | N | 55.4 | Low | 61.5 | Low | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -26.5 | 175 | -65.7 | -22.1 | 0 | 0 | 0 | 113.5 | F86 K87 L88 F93 N94 D599 Q600 | F86-N90 PolarHBondContact O-N 3.04Å; F86-N90 PolarHBondContact O-ND2 2.87Å; K87-N90 WeakPolarHBondContact O-CB 3.41Å; K87-N90 PolarHBondContact O-N 2.81Å; L88-N90 PolarHBondContact O-N 2.79Å; N90-F93 PolarHBondContact O-N 2.89Å; N90-N94 WeakPolarHBondContact O-CB 3.32Å; N90-N94 PolarHBondContact O-N 3.01Å; N90-D599 WeakPolarHBondContact CB-O 3.2Å; N90-D599 PolarHBondContact ND2-O 2.75Å; N90-Q600 WeakPolarHBondContact ND2-CA 3.4Å |
| 91 | T | 53.3 | Low | 59.4 | Low | 69 Ų | 69 | 52.4 Ų | 52.4 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 173.4 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | K87 L88 S89 N94 Q95 | K87-T91 PolarHBondContact O-N 2.97Å; L88-T91 WeakPolarHBondContact O-CB 3.36Å; L88-T91 PolarHBondContact O-N 2.88Å; L88-T91 PolarHBondContact O-OG1 2.77Å; S89-T91 PolarHBondContact O-N 2.84Å; T91-N94 PolarHBondContact O-N 3.39Å; T91-Q95 WeakPolarHBondContact O-CG 3.48Å; T91-Q95 PolarHBondContact O-N 3.14Å |
| 92 | N | 59.2 | Low | 57.3 | Low | 50 Ų | 50 | 55.7 Ų | 55.7 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 173.4 | -69.2 | -33.6 | 0 | 0 | 0 | 111.2 | S89 Q95 L96 | S89-N92 WeakPolarHBondContact O-CB 3.35Å; S89-N92 PolarHBondContact O-N 2.68Å; S89-N92 VanDerWaalsContact O-N 3.1Å; N92-Q95 PolarHBondContact O-N 2.85Å; N92-L96 PolarHBondContact O-N 3.05Å |
| 93 | F | 59.4 | Low | 55.8 | Low | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.6 | -159.5 | -67.3 | 0 | 0 | 0 | 111.2 | S89 N90 Q95 L96 M97 W119 L137 I170 P601 | S89-F93 PolarHBondContact O-N 3.04Å; N90-F93 PolarHBondContact O-N 2.89Å; F93-Q95 VanDerWaalsContact C-N 3.32Å; F93-Q95 PolarHBondContact O-N 2.92Å; F93-L96 WeakPolarHBondContact O-CB 3.4Å; F93-L96 PolarHBondContact O-N 2.88Å; F93-M97 HydrophobicContact CD1-CG 3.89Å; F93-M97 HydrophobicContact CE1-CG 3.89Å; F93-M97 HydrophobicContact CE1-SD 4.11Å; F93-M97 WeakPolarHBondContact O-CG 3.25Å; F93-M97 PolarHBondContact O-N 2.8Å; F93-W119 AromaticContact CE1-CH2 3.58Å; F93-W119 HydrophobicContact CE1-CH2 3.58Å; F93-W119 AromaticContact CE1-CZ2 3.49Å; F93-W119 HydrophobicContact CE1-CZ2 3.49Å; F93-W119 VanDerWaalsContact CE1-CZ2 3.49Å; F93-W119 AromaticContact CZ-CH2 3.5Å; F93-W119 HydrophobicContact CZ-CH2 3.5Å; F93-W119 VanDerWaalsContact CZ-CH2 3.5Å; F93-W119 AromaticContact CZ-CZ2 3.65Å; F93-W119 HydrophobicContact CZ-CZ2 3.65Å; F93-L137 HydrophobicContact CE2-CD1 3.71Å; F93-L137 HydrophobicContact CZ-CD1 3.71Å; F93-I170 HydrophobicContact CE1-CD1 3.79Å; F93-I170 HydrophobicContact CE2-CD1 4.27Å; F93-I170 HydrophobicContact CE2-CG2 3.89Å; F93-I170 HydrophobicContact CZ-CB 4.36Å; F93-I170 HydrophobicContact CZ-CD1 3.57Å; F93-I170 HydrophobicContact CZ-CG2 4.15Å; F93-P601 HydrophobicContact CB-CG 4.14Å; F93-P601 HydrophobicContact CD1-CB 4Å; F93-P601 HydrophobicContact CD1-CG 3.57Å; F93-P601 HydrophobicContact CD2-CG 4.29Å; F93-P601 HydrophobicContact CE1-CB 4.01Å; F93-P601 HydrophobicContact CE1-CG 4.03Å; F93-P601 HydrophobicContact CG-CG 3.73Å |
| 94 | N | 58.5 | Low | 54.4 | Low | 28 Ų | 28 | 65.8 Ų | 65.8 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 176 | -78.2 | -16.4 | 0 | 0 | 0 | 111.8 | N90 T91 M97 I98 S598 | N90-N94 WeakPolarHBondContact O-CB 3.32Å; N90-N94 PolarHBondContact O-N 3.01Å; T91-N94 PolarHBondContact O-N 3.39Å; N94-M97 PolarHBondContact O-N 3.37Å; N94-I98 WeakPolarHBondContact O-CB 3.27Å; N94-I98 WeakPolarHBondContact O-CD1 3.32Å; N94-I98 WeakPolarHBondContact O-CG1 3.36Å; N94-I98 PolarHBondContact O-N 3.33Å; N94-S598 PolarHBondContact ND2-O 2.96Å |
| 95 | Q | 57.1 | Low | 53.1 | Low | 115 Ų | 115 | 66.1 Ų | 66.1 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 171.1 | -74.6 | -178.5 | 13.5 | 0 | 0 | 112.8 | T91 N92 F93 M97 I98 M99 | T91-Q95 WeakPolarHBondContact O-CG 3.48Å; T91-Q95 PolarHBondContact O-N 3.14Å; N92-Q95 PolarHBondContact O-N 2.85Å; F93-Q95 VanDerWaalsContact C-N 3.32Å; F93-Q95 PolarHBondContact O-N 2.92Å; Q95-M97 VanDerWaalsContact C-N 3.32Å; Q95-M97 PolarHBondContact O-N 2.75Å; Q95-I98 PolarHBondContact O-N 3.04Å; Q95-M99 WeakPolarHBondContact O-CB 3.44Å; Q95-M99 WeakPolarHBondContact O-CG 3Å; Q95-M99 PolarHBondContact O-N 2.9Å |
| 96 | L | 57.6 | Low | 51.9 | Low | 52 Ų | 52 | 68.9 Ų | 68.9 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 174.1 | -82.7 | 155.7 | 0 | 0 | 0 | 111.8 | N92 F93 C193 I195 | N92-L96 PolarHBondContact O-N 3.05Å; F93-L96 WeakPolarHBondContact O-CB 3.4Å; F93-L96 PolarHBondContact O-N 2.88Å; L96-C193 HydrophobicContact CD1-CB 4.17Å; L96-I195 HydrophobicContact CD2-CD1 3.94Å; L96-I195 HydrophobicContact CD2-CG1 4.14Å |
| 97 | M | 56.6 | Low | 50.5 | Low | 17 Ų | 17 | 74.1 Ų | 74.1 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 175.1 | -66.9 | -66 | -73.1 | 0 | 0 | 112 | F93 N94 Q95 N100 T101 F117 W119 Q168 I170 | F93-M97 HydrophobicContact CD1-CG 3.89Å; F93-M97 HydrophobicContact CE1-CG 3.89Å; F93-M97 HydrophobicContact CE1-SD 4.11Å; F93-M97 WeakPolarHBondContact O-CG 3.25Å; F93-M97 PolarHBondContact O-N 2.8Å; N94-M97 PolarHBondContact O-N 3.37Å; Q95-M97 VanDerWaalsContact C-N 3.32Å; Q95-M97 PolarHBondContact O-N 2.75Å; M97-N100 PolarHBondContact O-N 2.84Å; M97-T101 PolarHBondContact O-N 2.97Å; M97-F117 HydrophobicContact CE-CB 4.47Å; M97-F117 HydrophobicContact CE-CD1 3.45Å; M97-F117 VanDerWaalsContact CE-CD1 3.45Å; M97-F117 HydrophobicContact CE-CD2 3.95Å; M97-F117 HydrophobicContact CE-CE1 3.48Å; M97-F117 VanDerWaalsContact CE-CE1 3.48Å; M97-F117 HydrophobicContact CE-CE2 3.95Å; M97-F117 HydrophobicContact CE-CG 3.68Å; M97-F117 HydrophobicContact CE-CZ 3.72Å; M97-W119 HydrophobicContact CE-CH2 4.47Å; M97-W119 HydrophobicContact SD-CH2 4.22Å; M97-Q168 PolarHBondContact SD-OE1 3.01Å; M97-Q168 VanDerWaalsContact SD-OE1 3.4Å; M97-I170 HydrophobicContact SD-CD1 4.13Å |
| 98 | I | 50.5 | Low | 49.2 | Very low | 97 Ų | 97 | 78.3 Ų | 78.3 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | -175.1 | -70.1 | 163.3 | 0 | 0 | 0 | 111.7 | N94 Q95 N100 T101 T102 | N94-I98 WeakPolarHBondContact O-CB 3.27Å; N94-I98 WeakPolarHBondContact O-CD1 3.32Å; N94-I98 WeakPolarHBondContact O-CG1 3.36Å; N94-I98 PolarHBondContact O-N 3.33Å; Q95-I98 PolarHBondContact O-N 3.04Å; I98-N100 PolarHBondContact O-N 3.43Å; I98-N100 VanDerWaalsContact O-N 3.14Å; I98-T101 PolarHBondContact O-N 2.96Å; I98-T101 PolarHBondContact O-OG1 2.83Å; I98-T102 HydrophobicContact CG2-CG2 4.35Å; I98-T102 PolarHBondContact O-N 2.73Å; I98-T102 VanDerWaalsContact O-N 3.16Å |
| 99 | M | 45.8 | Very low | 48.1 | Very low | 134 Ų | 134 | 80.8 Ų | 80.8 | 66% | 0.66 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -49.9 | -41.5 | 179.4 | -80.4 | -78.4 | -165 | 0 | 0 | 112.1 | Q95 T102 T103 | Q95-M99 WeakPolarHBondContact O-CB 3.44Å; Q95-M99 WeakPolarHBondContact O-CG 3Å; Q95-M99 PolarHBondContact O-N 2.9Å; M99-T102 PolarHBondContact O-OG1 2.88Å; M99-T103 PolarHBondContact O-OG1 2.88Å |
| 100 | N | 46.5 | Very low | 47.2 | Very low | 64 Ų | 64 | 86.1 Ų | 86.1 | 34% | 0.342 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -78.4 | -22.2 | 179.4 | -81.1 | -20.3 | 0 | 0 | 0 | 114.3 | M97 I98 T103 | M97-N100 PolarHBondContact O-N 2.84Å; I98-N100 PolarHBondContact O-N 3.43Å; I98-N100 VanDerWaalsContact O-N 3.14Å; N100-T103 PolarHBondContact O-OG1 3.33Å |
| 101 | T | 45.9 | Very low | 46.5 | Very low | 40 Ų | 40 | 91.8 Ų | 91.8 | 25% | 0.245 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -77.4 | -34.6 | 174.8 | 64.2 | 0 | 0 | 0 | 0 | 113 | M97 I98 T103 Y104 N105 Y141 | M97-T101 PolarHBondContact O-N 2.97Å; I98-T101 PolarHBondContact O-N 2.96Å; I98-T101 PolarHBondContact O-OG1 2.83Å; T101-T103 PolarHBondContact O-N 2.76Å; T101-Y104 PolarHBondContact O-N 2.84Å; T101-N105 PolarHBondContact O-N 2.76Å; T101-N105 VanDerWaalsContact O-N 3.12Å; T101-Y141 WeakPolarHBondContact CG2-OH 3.47Å |
| 102 | T | 42 | Very low | 46 | Very low | 75 Ų | 75 | 96.5 Ų | 96.5 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -26.7 | -176.4 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | I98 M99 Y104 | I98-T102 HydrophobicContact CG2-CG2 4.35Å; I98-T102 PolarHBondContact O-N 2.73Å; I98-T102 VanDerWaalsContact O-N 3.16Å; M99-T102 PolarHBondContact O-OG1 2.88Å; T102-Y104 VanDerWaalsContact C-N 3.29Å; T102-Y104 PolarHBondContact O-N 2.75Å |
| 103 | T | 42.5 | Very low | 45.4 | Very low | 98 Ų | 98 | 99.7 Ų | 99.7 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -20.1 | 176.4 | -6 | 0 | 0 | 0 | 0 | 114.2 | M99 N100 T101 | M99-T103 PolarHBondContact O-OG1 2.88Å; N100-T103 PolarHBondContact O-OG1 3.33Å; T101-T103 PolarHBondContact O-N 2.76Å |
| 104 | Y | 39.7 | Very low | 45 | Very low | 151 Ų | 151 | 106.5 Ų | 106.5 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -104.3 | -29.6 | 176.2 | -94 | -82.1 | 0 | 0 | 0 | 113.4 | T101 T102 T106 | T101-Y104 PolarHBondContact O-N 2.84Å; T102-Y104 VanDerWaalsContact C-N 3.29Å; T102-Y104 PolarHBondContact O-N 2.75Å; Y104-T106 PolarHBondContact O-N 2.57Å |
| 105 | N | 37.6 | Very low | 45.1 | Very low | 104 Ų | 104 | 109.6 Ų | 109.6 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.3 | -9.6 | -175.7 | -88.8 | -23.1 | 0 | 0 | 0 | 115.1 | T101 T107 | T101-N105 PolarHBondContact O-N 2.76Å; T101-N105 VanDerWaalsContact O-N 3.12Å; N105-T107 PolarHBondContact O-N 2.74Å; N105-T107 VanDerWaalsContact O-N 3.15Å |
| 106 | T | 37.4 | Very low | 45.8 | Very low | 120 Ų | 120 | 106.9 Ų | 106.9 | 74% | 0.736 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -12.9 | 178.2 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | Y104 | Y104-T106 PolarHBondContact O-N 2.57Š|
| 107 | T | 39.3 | Very low | 46.8 | Very low | 123 Ų | 123 | 104.9 Ų | 104.9 | 76% | 0.755 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -117.6 | -12.7 | -176.4 | 1.1 | 0 | 0 | 0 | 0 | 115 | N105 | N105-T107 PolarHBondContact O-N 2.74Å; N105-T107 VanDerWaalsContact O-N 3.15Å |
| 108 | Y | 36.6 | Very low | 48.2 | Very low | 182 Ų | 182 | 105.9 Ų | 105.9 | 71% | 0.714 | 55% | 0.547 | S | S | * | . | trans | -114 | 43.4 | -175.6 | -126.7 | -83.5 | 0 | 0 | 0 | 113.5 | N110 | Y108-N110 PolarHBondContact O-N 2.92Š| ||
| 109 | N | 33.5 | Very low | 50.1 | Low | 156 Ų | 156 | 101.4 Ų | 101.4 | 83% | 0.834 | 52% | 0.524 | S | S | * | . | trans | -78.5 | 55.2 | -176 | -162.8 | 17 | 0 | 0 | 0 | 113.1 | ||||
| 110 | N | 37.3 | Very low | 52.3 | Low | 125 Ų | 125 | 95.5 Ų | 95.5 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | trans | -147.8 | 124.2 | -179.5 | -110.6 | -29.3 | 0 | 0 | 0 | 113.2 | Y108 | Y108-N110 PolarHBondContact O-N 2.92Š| ||
| 111 | N | 39.9 | Very low | 54.6 | Low | 124 Ų | 124 | 92.9 Ų | 92.9 | 66% | 0.663 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 61.7 | 89.4 | 157.7 | -58.1 | -30.1 | 0 | 0 | 0 | 119.3 | N113 | N111-N113 PolarHBondContact O-N 2.99Š|
| 112 | N | 43.4 | Very low | 56.9 | Low | 168 Ų | 168 | 91.2 Ų | 91.2 | 90% | 0.898 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 49.4 | -4.7 | 140.2 | -70.2 | 1.8 | 0 | 0 | 0 | 122.1 | ||
| 113 | N | 46.3 | Very low | 59.5 | Low | 117 Ų | 117 | 87.7 Ų | 87.7 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | trans | -117.5 | 70.7 | -173.8 | -68.1 | -27.2 | 0 | 0 | 0 | 109 | N111 K144 | N111-N113 PolarHBondContact O-N 2.99Å; N113-K144 WeakPolarHBondContact O-CE 3.02Å; N113-K144 PolarHBondContact O-NZ 3.31Å | ||
| 114 | Q | 52 | Low | 62 | Low | 147 Ų | 147 | 83.3 Ų | 83.3 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 141.5 | 174.8 | -73.6 | 172.6 | -35.1 | 0 | 0 | 110.7 | ||
| 115 | E | 60.2 | Low | 64.6 | Low | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 140.8 | 172 | -70.9 | 166.5 | 176.9 | 0 | 0 | 109.4 | Y141 H165 | E115-Y141 HydrophobicContact CB-CD1 4.2Å; E115-H165 IonicContact OE2-CE1 2.7Å; E115-H165 PolarHBondContact OE2-CE1 2.94Å; E115-H165 VanDerWaalsContact OE2-CE1 3.3Å; E115-H165 IonicContact OE2-NE2 3.7Å |
| 116 | L | 70.7 | Confident | 67.3 | Low | 58 Ų | 58 | 71.3 Ų | 71.3 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 120.9 | -179 | -78.1 | 162.8 | 0 | 0 | 0 | 109.4 | Y141 K142 K593 | L116-Y141 WeakPolarHBondContact O-CA 3.41Å; L116-K142 PolarHBondContact O-N 2.92Å; L116-K142 VanDerWaalsContact O-N 3.1Å; L116-K593 VanDerWaalsContact CD1-CE 3.48Å; L116-K593 HydrophobicContact CD2-CG 3.84Å |
| 117 | F | 79.4 | Confident | 69.9 | Low | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.8 | 158.9 | -175.8 | -96.2 | 0 | 0 | 0 | 109.2 | M97 W119 G139 Y141 Q168 | M97-F117 HydrophobicContact CE-CB 4.47Å; M97-F117 HydrophobicContact CE-CD1 3.45Å; M97-F117 VanDerWaalsContact CE-CD1 3.45Å; M97-F117 HydrophobicContact CE-CD2 3.95Å; M97-F117 HydrophobicContact CE-CE1 3.48Å; M97-F117 VanDerWaalsContact CE-CE1 3.48Å; M97-F117 HydrophobicContact CE-CE2 3.95Å; M97-F117 HydrophobicContact CE-CG 3.68Å; M97-F117 HydrophobicContact CE-CZ 3.72Å; F117-W119 AromaticContact CE1-CD2 3.72Å; F117-W119 HydrophobicContact CE1-CD2 3.72Å; F117-W119 AromaticContact CE1-CE2 3.77Å; F117-W119 AromaticContact CE1-CE3 3.68Å; F117-W119 HydrophobicContact CE1-CE3 3.68Å; F117-W119 HydrophobicContact CE1-CG 4.42Å; F117-W119 AromaticContact CE1-CH2 3.64Å; F117-W119 HydrophobicContact CE1-CH2 3.64Å; F117-W119 AromaticContact CE1-CZ2 3.73Å; F117-W119 HydrophobicContact CE1-CZ2 3.73Å; F117-W119 AromaticContact CE1-CZ3 3.64Å; F117-W119 HydrophobicContact CE1-CZ3 3.64Å; F117-W119 HydrophobicContact CZ-CD2 4.45Å; F117-W119 AromaticContact CZ-CE3 3.94Å; F117-W119 HydrophobicContact CZ-CE3 3.94Å; F117-W119 AromaticContact CZ-CH2 3.89Å; F117-W119 HydrophobicContact CZ-CH2 3.89Å; F117-W119 HydrophobicContact CZ-CZ2 4.44Å; F117-W119 AromaticContact CZ-CZ3 3.64Å; F117-W119 HydrophobicContact CZ-CZ3 3.64Å; F117-G139 WeakPolarHBondContact CE2-O 3.19Å; F117-G139 VanDerWaalsContact CZ-C 3.47Å; F117-Y141 HydrophobicContact CB-CD1 4.02Å; F117-Y141 HydrophobicContact CB-CE1 3.67Å; F117-Y141 HydrophobicContact CB-CE2 4.26Å; F117-Y141 HydrophobicContact CB-CG 4.45Å; F117-Y141 AromaticContact CD2-CD2 3.75Å; F117-Y141 HydrophobicContact CD2-CD2 3.75Å; F117-Y141 HydrophobicContact CD2-CE1 4.43Å; F117-Y141 AromaticContact CD2-CE2 3.47Å; F117-Y141 HydrophobicContact CD2-CE2 3.47Å; F117-Y141 VanDerWaalsContact CD2-CE2 3.47Å; F117-Y141 HydrophobicContact CD2-CG 4.33Å; F117-Y141 AromaticContact CD2-CZ 3.82Å; F117-Y141 HydrophobicContact CE2-CE2 4.27Å; F117-Y141 HydrophobicContact CG-CE2 4.3Å; F117-Q168 HydrophobicContact CE2-CB 4.48Å |
| 118 | E | 85.5 | Confident | 72.1 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.6 | 175 | -66.2 | 176.7 | 172.6 | 0 | 0 | 110.4 | G139 S140 K142 R164 S590 | E118-G139 CarbonylContact O-C 3.5Å; E118-G139 WeakPolarHBondContact O-CA 3.44Å; E118-S140 PolarHBondContact N-O 2.81Å; E118-S140 PolarHBondContact O-N 2.97Å; E118-K142 WeakPolarHBondContact OE1-CD 3.45Å; E118-K142 WeakPolarHBondContact OE1-CE 3.4Å; E118-K142 IonicContact OE1-NZ 3.3Å; E118-K142 PolarHBondContact OE1-NZ 3.19Å; E118-K142 WeakPolarHBondContact OE2-CD 3.34Å; E118-K142 WeakPolarHBondContact OE2-CE 3.25Å; E118-K142 IonicContact OE2-NZ 3.2Å; E118-K142 PolarHBondContact OE2-NZ 3.11Å; E118-R164 IonicContact OE2-CZ 2.72Å; E118-R164 IonicContact OE2-NH2 3.81Å; E118-R164 PolarHBondContact OE2-NH2 2.78Å; E118-S590 WeakPolarHBondContact CA-OG 3.43Å |
| 119 | W | 90.3 | Very high | 74.6 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 139.7 | 163.3 | -62 | 116.2 | 0 | 0 | 0 | 109.5 | F93 M97 F117 L137 I170 H569 P588 M589 S590 P601 | F93-W119 AromaticContact CE1-CH2 3.58Å; F93-W119 HydrophobicContact CE1-CH2 3.58Å; F93-W119 AromaticContact CE1-CZ2 3.49Å; F93-W119 HydrophobicContact CE1-CZ2 3.49Å; F93-W119 VanDerWaalsContact CE1-CZ2 3.49Å; F93-W119 AromaticContact CZ-CH2 3.5Å; F93-W119 HydrophobicContact CZ-CH2 3.5Å; F93-W119 VanDerWaalsContact CZ-CH2 3.5Å; F93-W119 AromaticContact CZ-CZ2 3.65Å; F93-W119 HydrophobicContact CZ-CZ2 3.65Å; M97-W119 HydrophobicContact CE-CH2 4.47Å; M97-W119 HydrophobicContact SD-CH2 4.22Å; F117-W119 AromaticContact CE1-CD2 3.72Å; F117-W119 HydrophobicContact CE1-CD2 3.72Å; F117-W119 AromaticContact CE1-CE2 3.77Å; F117-W119 AromaticContact CE1-CE3 3.68Å; F117-W119 HydrophobicContact CE1-CE3 3.68Å; F117-W119 HydrophobicContact CE1-CG 4.42Å; F117-W119 AromaticContact CE1-CH2 3.64Å; F117-W119 HydrophobicContact CE1-CH2 3.64Å; F117-W119 AromaticContact CE1-CZ2 3.73Å; F117-W119 HydrophobicContact CE1-CZ2 3.73Å; F117-W119 AromaticContact CE1-CZ3 3.64Å; F117-W119 HydrophobicContact CE1-CZ3 3.64Å; F117-W119 HydrophobicContact CZ-CD2 4.45Å; F117-W119 AromaticContact CZ-CE3 3.94Å; F117-W119 HydrophobicContact CZ-CE3 3.94Å; F117-W119 AromaticContact CZ-CH2 3.89Å; F117-W119 HydrophobicContact CZ-CH2 3.89Å; F117-W119 HydrophobicContact CZ-CZ2 4.44Å; F117-W119 AromaticContact CZ-CZ3 3.64Å; F117-W119 HydrophobicContact CZ-CZ3 3.64Å; W119-L137 HydrophobicContact CE3-CB 4Å; W119-L137 HydrophobicContact CH2-CB 4.41Å; W119-L137 HydrophobicContact CZ3-CB 3.77Å; W119-I170 HydrophobicContact CH2-CD1 4.25Å; W119-H569 PolarHBondContact O-CE1 2.87Å; W119-H569 PolarHBondContact O-ND1 2.83Å; W119-H569 VanDerWaalsContact O-ND1 3.12Å; W119-P588 HydrophobicContact CB-CB 3.89Å; W119-P588 HydrophobicContact CB-CG 4.38Å; W119-P588 HydrophobicContact CG-CB 3.82Å; W119-M589 VanDerWaalsContact CD1-C 3.46Å; W119-M589 VanDerWaalsContact CD1-O 3.3Å; W119-M589 PolarHBondContact NE1-O 3.33Å; W119-S590 PolarHBondContact N-OG 3.15Å; W119-S590 VanDerWaalsContact N-OG 3.1Å; W119-P601 HydrophobicContact CZ2-CB 4.15Å; W119-P601 PolarHBondContact NE1-O 2.79Å |
| 120 | T | 92 | Very high | 77.2 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -14.7 | -178 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | G138 F210 G212 H569 | T120-G138 PolarHBondContact N-O 2.83Å; T120-G138 PolarHBondContact OG1-O 3.05Å; T120-F210 HydrophobicContact CG2-CE2 3.67Å; T120-F210 HydrophobicContact CG2-CZ 3.88Å; T120-F210 WeakPolarHBondContact OG1-CE2 3.43Å; T120-G212 PolarHBondContact OG1-O 2.77Å; T120-H569 PolarHBondContact O-CD2 3.44Å |
| 121 | S | 94.5 | Very high | 79.7 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 152 | 169.9 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | G138 G212 S215 | S121-G138 PolarHBondContact N-O 3.16Å; S121-G138 PolarHBondContact O-N 3.09Å; S121-G212 WeakPolarHBondContact CB-O 3.43Å; S121-G212 PolarHBondContact N-O 3.07Å; S121-G212 PolarHBondContact OG-O 2.89Å; S121-S215 VanDerWaalsContact CB-OG 3.31Å; S121-S215 WeakPolarHBondContact CB-OG 3.44Å; S121-S215 PolarHBondContact OG-OG 3.5Å |
| 122 | I | 95.7 | Very high | 82.3 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.6 | 171.8 | -175.9 | 168.1 | 0 | 0 | 0 | 108.9 | I135 L136 L137 S215 P571 V586 P588 | I122-I135 HydrophobicContact CD1-CG2 4.07Å; I122-I135 HydrophobicContact CG1-CG2 4.23Å; I122-L136 CarbonylContact C-O 3.59Å; I122-L136 VanDerWaalsContact CA-O 3.27Å; I122-L136 WeakPolarHBondContact CA-O 2.98Å; I122-L137 HydrophobicContact CB-CD2 4.08Å; I122-L137 HydrophobicContact CD1-CD2 3.74Å; I122-L137 HydrophobicContact CG1-CD2 3.8Å; I122-S215 PolarHBondContact N-OG 3.46Å; I122-S215 PolarHBondContact O-OG 3.15Å; I122-P571 HydrophobicContact CG2-CB 4.4Å; I122-V586 HydrophobicContact CD1-CB 3.85Å; I122-V586 HydrophobicContact CD1-CG1 3.61Å; I122-P588 HydrophobicContact CB-CG 4.2Å; I122-P588 HydrophobicContact CD1-CG 4.35Å; I122-P588 HydrophobicContact CG2-CG 4.07Å |
| 123 | S | 95.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.5 | 166.2 | 80.2 | 0 | 0 | 0 | 0 | 111.2 | L136 S215 S217 | S123-L136 PolarHBondContact N-O 3.45Å; S123-L136 PolarHBondContact O-N 2.85Å; S123-S215 PolarHBondContact N-OG 2.86Å; S123-S217 WeakPolarHBondContact CB-OG 3.36Å; S123-S217 PolarHBondContact OG-OG 3.28Å |
| 124 | I | 95.5 | Very high | 86.9 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.7 | -172.8 | -51.9 | 175.3 | 0 | 0 | 0 | 108.4 | Y134 S217 P571 D575 L577 V586 | I124-Y134 WeakPolarHBondContact CA-O 3.4Å; I124-S217 PolarHBondContact N-OG 2.81Å; I124-S217 PolarHBondContact O-OG 2.86Å; I124-P571 HydrophobicContact CD1-CB 4.23Å; I124-P571 HydrophobicContact CD1-CG 3.74Å; I124-P571 HydrophobicContact CG1-CB 4.1Å; I124-P571 HydrophobicContact CG1-CG 4.17Å; I124-D575 HydrophobicContact CG2-CB 4.27Å; I124-L577 HydrophobicContact CG2-CD1 4.12Å; I124-L577 HydrophobicContact CG2-CD2 3.71Å; I124-L577 HydrophobicContact CG2-CG 4.13Å; I124-V586 HydrophobicContact CD1-CB 3.74Å; I124-V586 HydrophobicContact CD1-CG2 3.74Å; I124-V586 HydrophobicContact CG1-CB 4.46Å; I124-V586 HydrophobicContact CG1-CG2 4.47Å |
| 125 | F | 94.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 163.5 | 169.5 | 61.4 | -82.7 | 0 | 0 | 0 | 110.9 | Y134 L171 F227 I250 D575 | F125-Y134 HydrophobicContact CD2-CD2 4.14Å; F125-Y134 HydrophobicContact CD2-CG 4.31Å; F125-Y134 HydrophobicContact CE1-CG 4.46Å; F125-Y134 HydrophobicContact CE2-CD1 4.39Å; F125-Y134 AromaticContact CE2-CD2 3.68Å; F125-Y134 HydrophobicContact CE2-CD2 3.68Å; F125-Y134 HydrophobicContact CE2-CE2 4.44Å; F125-Y134 AromaticContact CE2-CG 3.64Å; F125-Y134 HydrophobicContact CE2-CG 3.64Å; F125-Y134 VanDerWaalsContact CZ-CB 3.45Å; F125-Y134 HydrophobicContact CZ-CD1 4.2Å; F125-Y134 HydrophobicContact CZ-CD2 4.26Å; F125-Y134 AromaticContact CZ-CG 3.74Å; F125-Y134 HydrophobicContact CZ-CG 3.74Å; F125-Y134 PolarHBondContact N-O 2.91Å; F125-Y134 VanDerWaalsContact N-O 3.16Å; F125-Y134 WeakPolarHBondContact O-CA 3.27Å; F125-Y134 WeakPolarHBondContact O-CB 3.3Å; F125-Y134 PolarHBondContact O-N 2.95Å; F125-L171 HydrophobicContact CE1-CD1 4.3Å; F125-L171 HydrophobicContact CZ-CD1 4.31Å; F125-F227 HydrophobicContact CE1-CB 4Å; F125-F227 HydrophobicContact CE1-CD1 4.15Å; F125-F227 HydrophobicContact CE1-CG 4.28Å; F125-F227 HydrophobicContact CZ-CB 4.46Å; F125-F227 AromaticContact CZ-CD1 3.83Å; F125-F227 HydrophobicContact CZ-CD1 3.83Å; F125-F227 HydrophobicContact CZ-CG 4.42Å; F125-I250 HydrophobicContact CE2-CD1 3.84Å; F125-I250 HydrophobicContact CE2-CG1 4.43Å; F125-I250 HydrophobicContact CZ-CD1 3.66Å; F125-I250 HydrophobicContact CZ-CG1 4.41Å; F125-D575 WeakPolarHBondContact CA-OD2 3.34Å |
| 126 | T | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 163.9 | -179.4 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | R132 K219 S225 D575 D576 L577 F579 | T126-R132 CarbonylContact C-O 3.6Å; T126-R132 WeakPolarHBondContact CA-O 3.09Å; T126-K219 WeakPolarHBondContact OG1-CD 3.25Å; T126-K219 WeakPolarHBondContact OG1-CE 3.46Å; T126-K219 PolarHBondContact OG1-NZ 3.43Å; T126-S225 PolarHBondContact O-OG 2.95Å; T126-D575 WeakPolarHBondContact CB-OD2 3.43Å; T126-D575 HydrophobicContact CG2-CB 4.01Å; T126-D575 VanDerWaalsContact CG2-CG 3.43Å; T126-D575 WeakPolarHBondContact CG2-OD2 3.48Å; T126-D575 PolarHBondContact N-OD2 3.36Å; T126-D575 PolarHBondContact OG1-OD1 2.9Å; T126-D575 PolarHBondContact OG1-OD2 2.9Å; T126-D576 WeakPolarHBondContact CG2-O 3.33Å; T126-L577 HydrophobicContact CG2-CD2 4.25Å; T126-F579 HydrophobicContact CG2-CE1 4.21Å; T126-F579 HydrophobicContact CG2-CZ 4.02Å |
| 127 | I | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 102.9 | 163.3 | -62.1 | -174.6 | 0 | 0 | 0 | 106.8 | R129 L130 K131 R132 Y134 Q222 I250 | I127-R129 PolarHBondContact O-N 3.43Å; I127-L130 HydrophobicContact CG2-CB 4.17Å; I127-L130 HydrophobicContact CG2-CD1 4.14Å; I127-L130 HydrophobicContact CG2-CG 3.97Å; I127-L130 PolarHBondContact O-N 3.47Å; I127-K131 PolarHBondContact O-N 2.96Å; I127-K131 VanDerWaalsContact O-N 3.14Å; I127-R132 PolarHBondContact N-O 2.85Å; I127-R132 PolarHBondContact O-N 2.87Å; I127-R132 VanDerWaalsContact O-N 3.15Å; I127-Y134 HydrophobicContact CB-CE2 4.38Å; I127-Y134 HydrophobicContact CD1-CD2 4.48Å; I127-Y134 HydrophobicContact CD1-CE2 3.67Å; I127-Y134 HydrophobicContact CG1-CD2 4.32Å; I127-Y134 HydrophobicContact CG1-CE2 3.85Å; I127-Q222 CarbonylContact C-O 3.57Å; I127-Q222 WeakPolarHBondContact CG2-O 3.3Å; I127-I250 HydrophobicContact CD1-CB 4.13Å; I127-I250 HydrophobicContact CD1-CG2 3.55Å |
| 128 | E | 86.7 | Confident | 92.1 | Very high | 72 Ų | 72 | 23.5 Ų | 23.5 | 34% | 0.336 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -64.1 | -41.2 | -170 | -69.1 | 177.7 | -173.5 | 0 | 0 | 113.1 | L130 K131 K219 Q222 F579 | E128-L130 PolarHBondContact O-N 3.09Å; E128-K131 WeakPolarHBondContact O-CG 3.47Å; E128-K131 PolarHBondContact O-N 2.86Å; E128-K219 WeakPolarHBondContact OE1-CE 3.24Å; E128-K219 IonicContact OE1-NZ 3.59Å; E128-K219 PolarHBondContact OE1-NZ 2.83Å; E128-Q222 HydrophobicContact CB-CB 4.14Å; E128-Q222 PolarHBondContact N-O 2.77Å; E128-Q222 WeakPolarHBondContact OE2-CG 3.4Å; E128-Q222 PolarHBondContact OE2-NE2 3Å; E128-F579 HydrophobicContact CG-CE1 4.46Å |
| 129 | R | 87.6 | Confident | 92.3 | Very high | 131 Ų | 131 | 21.6 Ų | 21.6 | 49% | 0.494 | 10% | 0.095 | S | C | . | . | G | 310 helix | trans | -63.8 | -30.6 | -177.4 | -169.3 | -178.1 | 61.4 | 83.2 | 1.5 | 112.5 | I127 Q222 D223 D252 | I127-R129 PolarHBondContact O-N 3.43Å; R129-Q222 PolarHBondContact N-O 3.29Å; R129-D223 WeakPolarHBondContact CB-OD1 3.32Å; R129-D223 WeakPolarHBondContact CD-OD1 3.09Å; R129-D223 IonicContact CZ-OD1 2.65Å; R129-D223 IonicContact NE-OD1 3.56Å; R129-D223 PolarHBondContact NE-OD1 3.47Å; R129-D223 IonicContact NE-OD2 3.7Å; R129-D223 IonicContact NH2-OD1 3.86Å; R129-D252 IonicContact CZ-OD1 3.43Å; R129-D252 IonicContact NE-OD1 2.69Å; R129-D252 IonicContact NH2-OD1 3.6Å; R129-D252 PolarHBondContact NH2-OD1 3.44Å; R129-D252 IonicContact NH2-OD2 3.56Å; R129-D252 PolarHBondContact NH2-OD2 2.9Å; R129-D252 VanDerWaalsContact NH2-OD2 3.15Å |
| 130 | L | 88.7 | Confident | 92.1 | Very high | 60 Ų | 60 | 21.5 Ų | 21.5 | 31% | 0.314 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -88.3 | -11.5 | 174.7 | -62.8 | -174.5 | 0 | 0 | 0 | 113.1 | I127 E128 R132 | I127-L130 HydrophobicContact CG2-CB 4.17Å; I127-L130 HydrophobicContact CG2-CD1 4.14Å; I127-L130 HydrophobicContact CG2-CG 3.97Å; I127-L130 PolarHBondContact O-N 3.47Å; E128-L130 PolarHBondContact O-N 3.09Å; L130-R132 VanDerWaalsContact C-N 3.28Å; L130-R132 HydrophobicContact CB-CB 4Å; L130-R132 PolarHBondContact O-N 2.88Å |
| 131 | K | 90.7 | Very high | 91.7 | Very high | 94 Ų | 94 | 22.3 Ų | 22.3 | 41% | 0.409 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 52.5 | -164.9 | -60.2 | -166.5 | 172.6 | -157.9 | 0 | 112.1 | I127 E128 W176 F579 | I127-K131 PolarHBondContact O-N 2.96Å; I127-K131 VanDerWaalsContact O-N 3.14Å; E128-K131 WeakPolarHBondContact O-CG 3.47Å; E128-K131 PolarHBondContact O-N 2.86Å; K131-W176 HydrophobicContact CB-CB 3.61Å; K131-W176 HydrophobicContact CB-CG 4.35Å; K131-W176 HydrophobicContact CD-CB 4.18Å; K131-W176 HydrophobicContact CD-CD2 4.43Å; K131-W176 HydrophobicContact CD-CG 4.04Å; K131-W176 PolarHBondContact O-N 3.46Å; K131-F579 HydrophobicContact CB-CD2 3.92Å; K131-F579 HydrophobicContact CB-CE2 3.97Å; K131-F579 HydrophobicContact CB-CG 4.31Å; K131-F579 HydrophobicContact CB-CZ 4.38Å; K131-F579 HydrophobicContact CG-CG 4.43Å; K131-F579 VanDerWaalsContact O-CE2 3.31Å; K131-F579 WeakPolarHBondContact O-CE2 3.27Å |
| 132 | R | 93 | Very high | 90.9 | Very high | 55 Ų | 55 | 26.4 Ų | 26.4 | 21% | 0.208 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.1 | -177.8 | -178.8 | 172.1 | -73.7 | 173 | -3 | 111.3 | T126 I127 L130 Y134 Y173 L174 D175 F579 | T126-R132 CarbonylContact C-O 3.6Å; T126-R132 WeakPolarHBondContact CA-O 3.09Å; I127-R132 PolarHBondContact N-O 2.85Å; I127-R132 PolarHBondContact O-N 2.87Å; I127-R132 VanDerWaalsContact O-N 3.15Å; L130-R132 VanDerWaalsContact C-N 3.28Å; L130-R132 HydrophobicContact CB-CB 4Å; L130-R132 PolarHBondContact O-N 2.88Å; R132-Y134 HydrophobicContact CB-CE2 4.2Å; R132-Y134 WeakPolarHBondContact CD-OH 3.28Å; R132-Y134 HydrophobicContact CG-CD2 4.06Å; R132-Y134 HydrophobicContact CG-CE2 3.53Å; R132-Y173 HydrophobicContact CG-CD2 4.37Å; R132-L174 CarbonylContact C-O 3.36Å; R132-L174 VanDerWaalsContact CA-O 3.32Å; R132-L174 WeakPolarHBondContact CA-O 3.39Å; R132-D175 WeakPolarHBondContact CG-OD1 3.19Å; R132-D175 IonicContact CZ-OD1 3.7Å; R132-D175 VanDerWaalsContact CZ-OD1 3.29Å; R132-D175 IonicContact CZ-OD2 3.28Å; R132-D175 IonicContact NE-OD1 2.79Å; R132-D175 PolarHBondContact NE-OD1 2.71Å; R132-D175 IonicContact NE-OD2 3.09Å; R132-D175 VanDerWaalsContact NH2-CG 3.35Å; R132-D175 IonicContact NH2-OD1 3.76Å; R132-D175 PolarHBondContact NH2-OD1 3.4Å; R132-D175 IonicContact NH2-OD2 2.67Å; R132-D175 PolarHBondContact NH2-OD2 2.66Å; R132-F579 VanDerWaalsContact N-CZ 3.33Å |
| 133 | G | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 148.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y173 L174 L577 | G133-Y173 CarbonylContact O-C 3.16Å; G133-Y173 WeakPolarHBondContact O-CA 3.19Å; G133-Y173 WeakPolarHBondContact O-CB 3.12Å; G133-L174 PolarHBondContact N-O 2.91Å; G133-L174 PolarHBondContact O-N 2.95Å; G133-L577 VanDerWaalsContact CA-CD2 3.49Å |
| 134 | Y | 94.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.2 | 177.8 | -73.9 | -92.9 | 0 | 0 | 0 | 110.7 | I124 F125 I127 R132 L171 C172 I250 G253 | I124-Y134 WeakPolarHBondContact CA-O 3.4Å; F125-Y134 HydrophobicContact CD2-CD2 4.14Å; F125-Y134 HydrophobicContact CD2-CG 4.31Å; F125-Y134 HydrophobicContact CE1-CG 4.46Å; F125-Y134 HydrophobicContact CE2-CD1 4.39Å; F125-Y134 AromaticContact CE2-CD2 3.68Å; F125-Y134 HydrophobicContact CE2-CD2 3.68Å; F125-Y134 HydrophobicContact CE2-CE2 4.44Å; F125-Y134 AromaticContact CE2-CG 3.64Å; F125-Y134 HydrophobicContact CE2-CG 3.64Å; F125-Y134 VanDerWaalsContact CZ-CB 3.45Å; F125-Y134 HydrophobicContact CZ-CD1 4.2Å; F125-Y134 HydrophobicContact CZ-CD2 4.26Å; F125-Y134 AromaticContact CZ-CG 3.74Å; F125-Y134 HydrophobicContact CZ-CG 3.74Å; F125-Y134 PolarHBondContact N-O 2.91Å; F125-Y134 VanDerWaalsContact N-O 3.16Å; F125-Y134 WeakPolarHBondContact O-CA 3.27Å; F125-Y134 WeakPolarHBondContact O-CB 3.3Å; F125-Y134 PolarHBondContact O-N 2.95Å; I127-Y134 HydrophobicContact CB-CE2 4.38Å; I127-Y134 HydrophobicContact CD1-CD2 4.48Å; I127-Y134 HydrophobicContact CD1-CE2 3.67Å; I127-Y134 HydrophobicContact CG1-CD2 4.32Å; I127-Y134 HydrophobicContact CG1-CE2 3.85Å; R132-Y134 HydrophobicContact CB-CE2 4.2Å; R132-Y134 WeakPolarHBondContact CD-OH 3.28Å; R132-Y134 HydrophobicContact CG-CD2 4.06Å; R132-Y134 HydrophobicContact CG-CE2 3.53Å; Y134-L171 HydrophobicContact CD1-CD1 4.05Å; Y134-L171 HydrophobicContact CD1-CD2 4.18Å; Y134-L171 HydrophobicContact CD1-CG 4.16Å; Y134-L171 HydrophobicContact CE1-CD2 4.43Å; Y134-C172 WeakPolarHBondContact CA-O 3.45Å; Y134-I250 HydrophobicContact CD1-CD1 4.07Å; Y134-I250 HydrophobicContact CE1-CD1 3.82Å; Y134-G253 WeakPolarHBondContact OH-CA 3.24Å; Y134-G253 PolarHBondContact OH-O 2.04Å |
| 135 | I | 93.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.8 | 175.3 | -53.3 | 170.9 | 0 | 0 | 0 | 107.7 | I122 L137 C172 L174 F188 V586 I602 V604 | I122-I135 HydrophobicContact CD1-CG2 4.07Å; I122-I135 HydrophobicContact CG1-CG2 4.23Å; I135-L137 HydrophobicContact CG2-CD1 4.47Å; I135-L137 HydrophobicContact CG2-CD2 4.22Å; I135-L137 HydrophobicContact CG2-CG 4.05Å; I135-C172 PolarHBondContact N-O 2.94Å; I135-C172 PolarHBondContact O-N 2.9Å; I135-L174 HydrophobicContact CD1-CD1 3.51Å; I135-L174 HydrophobicContact CG1-CD1 3.79Å; I135-F188 HydrophobicContact CD1-CE1 4.48Å; I135-F188 HydrophobicContact CD1-CZ 4.11Å; I135-V586 HydrophobicContact CD1-CB 4.47Å; I135-V586 HydrophobicContact CD1-CG1 4.05Å; I135-V586 HydrophobicContact CD1-CG2 3.77Å; I135-V586 HydrophobicContact CG1-CG2 4.17Å; I135-V586 HydrophobicContact CG2-CG1 4.25Å; I135-I602 HydrophobicContact CD1-CD1 4.02Å; I135-V604 HydrophobicContact CD1-CG2 4.35Å |
| 136 | L | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.2 | 172.4 | -177.8 | 67.2 | 0 | 0 | 0 | 109.1 | I122 S123 M169 L171 L196 F227 Y229 | I122-L136 CarbonylContact C-O 3.59Å; I122-L136 VanDerWaalsContact CA-O 3.27Å; I122-L136 WeakPolarHBondContact CA-O 2.98Å; S123-L136 PolarHBondContact N-O 3.45Å; S123-L136 PolarHBondContact O-N 2.85Å; L136-M169 HydrophobicContact CD1-CE 3.5Å; L136-M169 VanDerWaalsContact CD1-CE 3.5Å; L136-M169 HydrophobicContact CD2-CE 4.11Å; L136-M169 HydrophobicContact CG-CE 3.65Å; L136-L171 HydrophobicContact CB-CD1 4.12Å; L136-L171 HydrophobicContact CD1-CB 4.26Å; L136-L171 HydrophobicContact CD1-CD1 4.14Å; L136-L196 HydrophobicContact CD1-CD1 3.6Å; L136-F227 HydrophobicContact CD1-CD2 4.21Å; L136-F227 HydrophobicContact CD1-CE2 4.18Å; L136-F227 HydrophobicContact CD2-CB 4.13Å; L136-F227 HydrophobicContact CD2-CD2 3.53Å; L136-F227 HydrophobicContact CD2-CE2 4.3Å; L136-F227 HydrophobicContact CD2-CG 4.16Å; L136-F227 HydrophobicContact CG-CD2 4.49Å; L136-Y229 HydrophobicContact CD2-CD1 4.46Å |
| 137 | L | 92.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.4 | -178.7 | -65.9 | 165.2 | 0 | 0 | 0 | 110.3 | F93 W119 I122 I135 M169 I170 P588 I602 | F93-L137 HydrophobicContact CE2-CD1 3.71Å; F93-L137 HydrophobicContact CZ-CD1 3.71Å; W119-L137 HydrophobicContact CE3-CB 4Å; W119-L137 HydrophobicContact CH2-CB 4.41Å; W119-L137 HydrophobicContact CZ3-CB 3.77Å; I122-L137 HydrophobicContact CB-CD2 4.08Å; I122-L137 HydrophobicContact CD1-CD2 3.74Å; I122-L137 HydrophobicContact CG1-CD2 3.8Å; I135-L137 HydrophobicContact CG2-CD1 4.47Å; I135-L137 HydrophobicContact CG2-CD2 4.22Å; I135-L137 HydrophobicContact CG2-CG 4.05Å; L137-M169 WeakPolarHBondContact O-CA 3.47Å; L137-M169 WeakPolarHBondContact O-CE 3.39Å; L137-I170 PolarHBondContact N-O 2.87Å; L137-I170 PolarHBondContact O-N 3.43Å; L137-P588 HydrophobicContact CD2-CB 4.11Å; L137-I602 HydrophobicContact CD1-CG2 3.6Å; L137-I602 HydrophobicContact CD2-CG2 3.79Å; L137-I602 HydrophobicContact CG-CG2 4.32Å |
| 138 | G | 91.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T120 S121 M169 G212 | T120-G138 PolarHBondContact N-O 2.83Å; T120-G138 PolarHBondContact OG1-O 3.05Å; S121-G138 PolarHBondContact N-O 3.16Å; S121-G138 PolarHBondContact O-N 3.09Å; G138-M169 WeakPolarHBondContact CA-SD 3.19Å; G138-G212 CarbonylContact C-O 3.37Å |
| 139 | G | 88.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 165 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F117 E118 S167 Q168 | F117-G139 WeakPolarHBondContact CE2-O 3.19Å; F117-G139 VanDerWaalsContact CZ-C 3.47Å; E118-G139 CarbonylContact O-C 3.5Å; E118-G139 WeakPolarHBondContact O-CA 3.44Å; G139-S167 CarbonylContact O-C 3.55Å; G139-S167 WeakPolarHBondContact O-CA 3.34Å; G139-Q168 PolarHBondContact N-O 3.46Å; G139-Q168 VanDerWaalsContact N-O 3.11Å; G139-Q168 PolarHBondContact O-N 2.92Å |
| 140 | S | 87.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 168.3 | -180 | 92.4 | 0 | 0 | 0 | 0 | 112.8 | E118 R164 S167 | E118-S140 PolarHBondContact N-O 2.81Å; E118-S140 PolarHBondContact O-N 2.97Å; S140-R164 PolarHBondContact O-NH1 3.19Å; S140-R164 WeakPolarHBondContact OG-CB 3.2Å; S140-R164 VanDerWaalsContact OG-CD 3.24Å; S140-R164 WeakPolarHBondContact OG-CD 3.38Å; S140-R164 WeakPolarHBondContact OG-CG 3.31Å; S140-R164 PolarHBondContact OG-NH1 3.16Å; S140-S167 VanDerWaalsContact CB-OG 3.22Å; S140-S167 WeakPolarHBondContact CB-OG 3.42Å |
| 141 | Y | 82 | Confident | 72.6 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 141 | 173.1 | -65.8 | -97.9 | 0 | 0 | 0 | 111 | T101 E115 L116 F117 R164 H165 N166 | T101-Y141 WeakPolarHBondContact CG2-OH 3.47Å; E115-Y141 HydrophobicContact CB-CD1 4.2Å; L116-Y141 WeakPolarHBondContact O-CA 3.41Å; F117-Y141 HydrophobicContact CB-CD1 4.02Å; F117-Y141 HydrophobicContact CB-CE1 3.67Å; F117-Y141 HydrophobicContact CB-CE2 4.26Å; F117-Y141 HydrophobicContact CB-CG 4.45Å; F117-Y141 AromaticContact CD2-CD2 3.75Å; F117-Y141 HydrophobicContact CD2-CD2 3.75Å; F117-Y141 HydrophobicContact CD2-CE1 4.43Å; F117-Y141 AromaticContact CD2-CE2 3.47Å; F117-Y141 HydrophobicContact CD2-CE2 3.47Å; F117-Y141 VanDerWaalsContact CD2-CE2 3.47Å; F117-Y141 HydrophobicContact CD2-CG 4.33Å; F117-Y141 AromaticContact CD2-CZ 3.82Å; F117-Y141 HydrophobicContact CE2-CE2 4.27Å; F117-Y141 HydrophobicContact CG-CE2 4.3Å; Y141-R164 WeakPolarHBondContact O-CA 3.18Å; Y141-H165 WeakPolarHBondContact CB-NE2 3.28Å; Y141-H165 PolarHBondContact N-O 2.87Å; Y141-H165 PolarHBondContact O-N 2.87Å; Y141-H165 VanDerWaalsContact O-N 3.09Å; Y141-N166 HydrophobicContact CD2-CB 3.5Å; Y141-N166 VanDerWaalsContact CD2-CB 3.5Å; Y141-N166 WeakPolarHBondContact CD2-O 3.33Å; Y141-N166 HydrophobicContact CE2-CB 4.05Å; Y141-N166 HydrophobicContact CG-CB 4.34Å |
| 142 | K | 78.3 | Confident | 70.2 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.5 | 167 | -82.5 | 178.2 | 170.3 | 153.3 | 0 | 110.4 | L116 E118 | L116-K142 PolarHBondContact O-N 2.92Å; L116-K142 VanDerWaalsContact O-N 3.1Å; E118-K142 WeakPolarHBondContact OE1-CD 3.45Å; E118-K142 WeakPolarHBondContact OE1-CE 3.4Å; E118-K142 IonicContact OE1-NZ 3.3Å; E118-K142 PolarHBondContact OE1-NZ 3.19Å; E118-K142 WeakPolarHBondContact OE2-CD 3.34Å; E118-K142 WeakPolarHBondContact OE2-CE 3.25Å; E118-K142 IonicContact OE2-NZ 3.2Å; E118-K142 PolarHBondContact OE2-NZ 3.11Å |
| 143 | T | 70.8 | Confident | 67.7 | Low | 41 Ų | 41 | 68.9 Ų | 68.9 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 145.1 | 168 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | S162 P163 H165 | T143-S162 WeakPolarHBondContact CG2-O 3.49Å; T143-S162 PolarHBondContact OG1-O 2.94Å; T143-P163 PolarHBondContact N-O 2.76Å; T143-P163 WeakPolarHBondContact OG1-CA 3.3Å; T143-P163 PolarHBondContact OG1-O 2.77Å; T143-H165 HydrophobicContact CG2-CB 4.37Å; T143-H165 WeakPolarHBondContact CG2-CD2 3.38Å |
| 144 | K | 63.7 | Low | 65.1 | Low | 89 Ų | 89 | 73.2 Ų | 73.2 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 144.8 | 171.1 | -64 | -177 | -164.2 | 111.4 | 0 | 110 | N113 F146 | N113-K144 WeakPolarHBondContact O-CE 3.02Å; N113-K144 PolarHBondContact O-NZ 3.31Å; K144-F146 PolarHBondContact O-N 2.99Å; K144-F146 VanDerWaalsContact O-N 3.16Å |
| 145 | P | 56.4 | Low | 62.5 | Low | 118 Ų | 118 | 78.7 Ų | 78.7 | 77% | 0.766 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 122 | 161.7 | 26.5 | -32.6 | 0 | 0 | 0 | 108.6 | N147 | P145-N147 PolarHBondContact O-N 2.77Å; P145-N147 VanDerWaalsContact O-N 3.11Å |
| 146 | F | 50.7 | Low | 59.9 | Low | 181 Ų | 181 | 86 Ų | 86 | 79% | 0.794 | 49% | 0.492 | S | S | * | . | trans | -60.5 | 115.2 | 173.3 | -95 | -96 | 0 | 0 | 0 | 109 | K144 L148 | K144-F146 PolarHBondContact O-N 2.99Å; K144-F146 VanDerWaalsContact O-N 3.16Å; F146-L148 PolarHBondContact O-N 3.2Å | ||
| 147 | N | 44.4 | Very low | 57.3 | Low | 135 Ų | 135 | 90 Ų | 90 | 72% | 0.722 | 52% | 0.52 | S | S | * | . | trans | -63.9 | 106.4 | 167 | -92 | -14.4 | 0 | 0 | 0 | 108 | P145 S149 | P145-N147 PolarHBondContact O-N 2.77Å; P145-N147 VanDerWaalsContact O-N 3.11Å; N147-S149 PolarHBondContact O-N 3.12Å | ||
| 148 | L | 44 | Very low | 54.9 | Low | 176 Ų | 176 | 94.2 Ų | 94.2 | 92% | 0.921 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -70.7 | 20.6 | -176.2 | -150.1 | 79.8 | 0 | 0 | 0 | 113.7 | F146 | F146-L148 PolarHBondContact O-N 3.2Š|
| 149 | S | 40.5 | Very low | 52.8 | Low | 103 Ų | 103 | 98.8 Ų | 98.8 | 72% | 0.72 | 58% | 0.582 | S | S | * | * | trans | -111.5 | 35.1 | -169.3 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | N147 | N147-S149 PolarHBondContact O-N 3.12Š| ||
| 150 | S | 39.5 | Very low | 51.1 | Low | 94 Ų | 94 | 104.3 Ų | 104.3 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -149.9 | 97.1 | 167.3 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 151 | S | 35.9 | Very low | 49.9 | Very low | 100 Ų | 100 | 109.4 Ų | 109.4 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | trans | 44.1 | 106.2 | 138.6 | 60.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 152 | T | 39.2 | Very low | 49.4 | Very low | 119 Ų | 119 | 108.5 Ų | 108.5 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | 45.2 | 127.7 | 125.8 | 60 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 153 | N | 41.1 | Very low | 49.4 | Very low | 162 Ų | 162 | 107.7 Ų | 107.7 | 87% | 0.866 | 64% | 0.643 | S | S | * | * | trans | 79.4 | 61.9 | 155.9 | -55 | -12.3 | 0 | 0 | 0 | 118.2 | ||||
| 154 | S | 38.2 | Very low | 50 | Low | 92 Ų | 92 | 106.9 Ų | 106.9 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | trans | -136.7 | 88.1 | 146.3 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | N156 | S154-N156 PolarHBondContact O-N 3.39Å; S154-N156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | S | 39.6 | Very low | 50.8 | Low | 121 Ų | 121 | 104.5 Ų | 104.5 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 5.2 | -174.4 | 57.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 156 | N | 38.5 | Very low | 51.7 | Low | 153 Ų | 153 | 101 Ų | 101 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -0.2 | -171.7 | -81 | 17.8 | 0 | 0 | 0 | 115.1 | S154 S158 | S154-N156 PolarHBondContact O-N 3.39Å; S154-N156 VanDerWaalsContact O-N 3.08Å; N156-S158 PolarHBondContact O-N 2.64Å |
| 157 | S | 39.9 | Very low | 53.3 | Low | 84 Ų | 84 | 92.4 Ų | 92.4 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | trans | -78.8 | 103.9 | 164.8 | 59.9 | 0 | 0 | 0 | 0 | 108.3 | S159 | S157-S159 PolarHBondContact O-N 3.44Š| ||
| 158 | S | 42.8 | Very low | 55.2 | Low | 89 Ų | 89 | 86.3 Ų | 86.3 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | trans | -51.9 | 110.7 | 156.5 | 39.5 | 0 | 0 | 0 | 0 | 106.8 | N156 I160 | N156-S158 PolarHBondContact O-N 2.64Å; S158-I160 PolarHBondContact O-N 3.28Å | ||
| 159 | S | 48.3 | Very low | 57.3 | Low | 95 Ų | 95 | 78 Ų | 78 | 66% | 0.664 | 49% | 0.486 | S | S | * | . | trans | -60.6 | 114.9 | -176.6 | 53 | 0 | 0 | 0 | 0 | 108 | S157 V161 | S157-S159 PolarHBondContact O-N 3.44Å; S159-V161 VanDerWaalsContact C-N 3.32Å; S159-V161 VanDerWaalsContact O-CG2 3.25Å; S159-V161 WeakPolarHBondContact O-CG2 3.24Å; S159-V161 PolarHBondContact O-N 3.16Å | ||
| 160 | I | 52.1 | Low | 59.7 | Low | 116 Ų | 116 | 73 Ų | 73 | 60% | 0.595 | 45% | 0.452 | S | S | * | . | trans | -66.2 | 98.2 | 173.6 | -61.9 | 172.9 | 0 | 0 | 0 | 106.2 | S158 S162 | S158-I160 PolarHBondContact O-N 3.28Å; I160-S162 PolarHBondContact O-N 3.26Å | ||
| 161 | V | 62.1 | Low | 62.1 | Low | 107 Ų | 107 | 68.7 Ų | 68.7 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | trans | -74.4 | -11 | -179.1 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | S159 | S159-V161 VanDerWaalsContact C-N 3.32Å; S159-V161 VanDerWaalsContact O-CG2 3.25Å; S159-V161 WeakPolarHBondContact O-CG2 3.24Å; S159-V161 PolarHBondContact O-N 3.16Å | ||
| 162 | S | 71.2 | Confident | 64.7 | Low | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | trans | -76.8 | 133.7 | -173.1 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | T143 I160 R164 E209 R235 | T143-S162 WeakPolarHBondContact CG2-O 3.49Å; T143-S162 PolarHBondContact OG1-O 2.94Å; I160-S162 PolarHBondContact O-N 3.26Å; S162-R164 WeakPolarHBondContact CB-O 3.44Å; S162-R164 PolarHBondContact O-N 3.24Å; S162-E209 VanDerWaalsContact CB-OE2 3.25Å; S162-E209 WeakPolarHBondContact CB-OE2 3.41Å; S162-E209 PolarHBondContact OG-OE1 3.48Å; S162-E209 PolarHBondContact OG-OE2 2.99Å; S162-R235 PolarHBondContact OG-NH2 3.22Å | ||
| 163 | P | 77.9 | Confident | 67.2 | Low | 78 Ų | 78 | 60.8 Ų | 60.8 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -72.5 | -8.4 | 175.6 | 31.6 | -37.6 | 0 | 0 | 0 | 113.4 | T143 L233 | T143-P163 PolarHBondContact N-O 2.76Å; T143-P163 WeakPolarHBondContact OG1-CA 3.3Å; T143-P163 PolarHBondContact OG1-O 2.77Å; P163-L233 HydrophobicContact CG-CD1 3.78Å |
| 164 | R | 84.9 | Confident | 69.5 | Low | 25 Ų | 25 | 53.1 Ų | 53.1 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.8 | -175.7 | -76.5 | -178.7 | 170.5 | -90.3 | -1.5 | 111.5 | E118 S140 Y141 S162 E209 F210 | E118-R164 IonicContact OE2-CZ 2.72Å; E118-R164 IonicContact OE2-NH2 3.81Å; E118-R164 PolarHBondContact OE2-NH2 2.78Å; S140-R164 PolarHBondContact O-NH1 3.19Å; S140-R164 WeakPolarHBondContact OG-CB 3.2Å; S140-R164 VanDerWaalsContact OG-CD 3.24Å; S140-R164 WeakPolarHBondContact OG-CD 3.38Å; S140-R164 WeakPolarHBondContact OG-CG 3.31Å; S140-R164 PolarHBondContact OG-NH1 3.16Å; Y141-R164 WeakPolarHBondContact O-CA 3.18Å; S162-R164 WeakPolarHBondContact CB-O 3.44Å; S162-R164 PolarHBondContact O-N 3.24Å; R164-E209 CarbonylContact C-O 3.54Å; R164-E209 WeakPolarHBondContact CB-O 3.4Å; R164-F210 HydrophobicContact CB-CB 4.33Å; R164-F210 HydrophobicContact CB-CG 4.41Å |
| 165 | H | 78.9 | Confident | 71.9 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 176.1 | 178.6 | 67.7 | 118 | 0 | 0 | 0 | 111 | E115 Y141 T143 S167 E209 | E115-H165 IonicContact OE2-CE1 2.7Å; E115-H165 PolarHBondContact OE2-CE1 2.94Å; E115-H165 VanDerWaalsContact OE2-CE1 3.3Å; E115-H165 IonicContact OE2-NE2 3.7Å; Y141-H165 WeakPolarHBondContact CB-NE2 3.28Å; Y141-H165 PolarHBondContact N-O 2.87Å; Y141-H165 PolarHBondContact O-N 2.87Å; Y141-H165 VanDerWaalsContact O-N 3.09Å; T143-H165 HydrophobicContact CG2-CB 4.37Å; T143-H165 WeakPolarHBondContact CG2-CD2 3.38Å; H165-S167 VanDerWaalsContact C-N 3.26Å; H165-S167 PolarHBondContact O-N 3.3Å; H165-E209 PolarHBondContact N-O 3.22Å |
| 166 | N | 75.9 | Confident | 74.2 | Confident | 44 Ų | 44 | 50 Ų | 50 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 43.7 | 173.6 | -72.3 | -6.2 | 0 | 0 | 0 | 113.2 | Y141 | Y141-N166 HydrophobicContact CD2-CB 3.5Å; Y141-N166 VanDerWaalsContact CD2-CB 3.5Å; Y141-N166 WeakPolarHBondContact CD2-O 3.33Å; Y141-N166 HydrophobicContact CE2-CB 4.05Å; Y141-N166 HydrophobicContact CG-CB 4.34Å |
| 167 | S | 84.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 141 | -177.1 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | G139 S140 H165 Q197 H208 E209 F210 L211 | G139-S167 CarbonylContact O-C 3.55Å; G139-S167 WeakPolarHBondContact O-CA 3.34Å; S140-S167 VanDerWaalsContact CB-OG 3.22Å; S140-S167 WeakPolarHBondContact CB-OG 3.42Å; H165-S167 VanDerWaalsContact C-N 3.26Å; H165-S167 PolarHBondContact O-N 3.3Å; S167-Q197 PolarHBondContact O-NE2 3.09Å; S167-H208 PolarHBondContact OG-O 2.81Å; S167-E209 VanDerWaalsContact OG-C 3.29Å; S167-E209 PolarHBondContact OG-O 2.81Å; S167-F210 VanDerWaalsContact OG-CA 3.29Å; S167-F210 WeakPolarHBondContact OG-CA 3.37Å; S167-F210 PolarHBondContact OG-N 3.2Å; S167-L211 VanDerWaalsContact CB-N 3.3Å; S167-L211 WeakPolarHBondContact CB-O 3.19Å; S167-L211 PolarHBondContact OG-N 2.97Å; S167-L211 VanDerWaalsContact OG-N 3.14Å |
| 168 | Q | 83.2 | Confident | 78.4 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144 | -175.7 | -61.3 | -174.2 | 9.9 | 0 | 0 | 111.4 | M97 F117 G139 | M97-Q168 PolarHBondContact SD-OE1 3.01Å; M97-Q168 VanDerWaalsContact SD-OE1 3.4Å; F117-Q168 HydrophobicContact CE2-CB 4.48Å; G139-Q168 PolarHBondContact N-O 3.46Å; G139-Q168 VanDerWaalsContact N-O 3.11Å; G139-Q168 PolarHBondContact O-N 2.92Å |
| 169 | M | 89.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.8 | 171.7 | -72.6 | -60.7 | -47.7 | 0 | 0 | 108.9 | L136 L137 G138 I195 L196 L211 G212 Y229 | L136-M169 HydrophobicContact CD1-CE 3.5Å; L136-M169 VanDerWaalsContact CD1-CE 3.5Å; L136-M169 HydrophobicContact CD2-CE 4.11Å; L136-M169 HydrophobicContact CG-CE 3.65Å; L137-M169 WeakPolarHBondContact O-CA 3.47Å; L137-M169 WeakPolarHBondContact O-CE 3.39Å; G138-M169 WeakPolarHBondContact CA-SD 3.19Å; M169-I195 WeakPolarHBondContact O-CA 3.37Å; M169-L196 HydrophobicContact CB-CB 4.18Å; M169-L196 PolarHBondContact O-N 2.8Å; M169-L211 HydrophobicContact CG-CD2 3.81Å; M169-L211 HydrophobicContact CG-CG 3.86Å; M169-G212 WeakPolarHBondContact SD-CA 3.4Å; M169-Y229 HydrophobicContact CB-CE2 4.46Å; M169-Y229 HydrophobicContact CE-CD1 3.88Å; M169-Y229 HydrophobicContact CE-CD2 4.32Å; M169-Y229 HydrophobicContact CE-CG 3.66Å; M169-Y229 HydrophobicContact CG-CD1 4.43Å; M169-Y229 HydrophobicContact CG-CD2 3.53Å; M169-Y229 HydrophobicContact CG-CE2 3.77Å; M169-Y229 HydrophobicContact CG-CG 3.89Å; M169-Y229 HydrophobicContact SD-CD2 3.97Å; M169-Y229 HydrophobicContact SD-CG 3.86Å |
| 170 | I | 89.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.7 | -178.6 | -57.4 | -176.4 | 0 | 0 | 0 | 108.4 | F93 M97 W119 L137 C193 I194 I195 | F93-I170 HydrophobicContact CE1-CD1 3.79Å; F93-I170 HydrophobicContact CE2-CD1 4.27Å; F93-I170 HydrophobicContact CE2-CG2 3.89Å; F93-I170 HydrophobicContact CZ-CB 4.36Å; F93-I170 HydrophobicContact CZ-CD1 3.57Å; F93-I170 HydrophobicContact CZ-CG2 4.15Å; M97-I170 HydrophobicContact SD-CD1 4.13Å; W119-I170 HydrophobicContact CH2-CD1 4.25Å; L137-I170 PolarHBondContact N-O 2.87Å; L137-I170 PolarHBondContact O-N 3.43Å; I170-C193 HydrophobicContact CG2-CB 4Å; I170-I194 WeakPolarHBondContact CA-O 3.39Å; I170-I195 HydrophobicContact CG1-CG1 4.3Å |
| 171 | L | 91.5 | Very high | 82 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.6 | 170.5 | -178.6 | 71.2 | 0 | 0 | 0 | 108.3 | F125 Y134 L136 C193 I194 L196 F227 I250 I255 | F125-L171 HydrophobicContact CE1-CD1 4.3Å; F125-L171 HydrophobicContact CZ-CD1 4.31Å; Y134-L171 HydrophobicContact CD1-CD1 4.05Å; Y134-L171 HydrophobicContact CD1-CD2 4.18Å; Y134-L171 HydrophobicContact CD1-CG 4.16Å; Y134-L171 HydrophobicContact CE1-CD2 4.43Å; L136-L171 HydrophobicContact CB-CD1 4.12Å; L136-L171 HydrophobicContact CD1-CB 4.26Å; L136-L171 HydrophobicContact CD1-CD1 4.14Å; L171-C193 WeakPolarHBondContact O-CA 3.31Å; L171-I194 HydrophobicContact CB-CG1 4.22Å; L171-I194 PolarHBondContact N-O 2.91Å; L171-I194 PolarHBondContact O-N 2.87Å; L171-L196 HydrophobicContact CB-CD1 4.01Å; L171-L196 HydrophobicContact CB-CD2 4.06Å; L171-L196 HydrophobicContact CB-CG 4.02Å; L171-L196 HydrophobicContact CD2-CD2 4.34Å; L171-F227 HydrophobicContact CD2-CE1 4.29Å; L171-F227 HydrophobicContact CD2-CZ 4.21Å; L171-I250 HydrophobicContact CD2-CD1 4.03Å; L171-I255 HydrophobicContact CD2-CD1 3.53Å; L171-I255 HydrophobicContact CD2-CG1 4.18Å |
| 172 | C | 90.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 154.6 | 172.6 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | Y134 I135 F188 A192 C193 | Y134-C172 WeakPolarHBondContact CA-O 3.45Å; I135-C172 PolarHBondContact N-O 2.94Å; I135-C172 PolarHBondContact O-N 2.9Å; C172-F188 HydrophobicContact CB-CE1 3.91Å; C172-A192 CarbonylContact C-O 3.59Å; C172-A192 VanDerWaalsContact CA-O 3.25Å; C172-A192 WeakPolarHBondContact CA-O 3.13Å; C172-C193 HydrophobicContact CB-CB 4.12Å; C172-C193 WeakPolarHBondContact CB-SG 3.46Å; C172-C193 WeakPolarHBondContact SG-CB 3.11Å; C172-C193 CovalentContact SG-SG 2.04Å; C172-C193 PolarHBondContact SG-SG 3.03Å |
| 173 | Y | 90.2 | Very high | 82.9 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 21% | 0.208 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.2 | 172.5 | 64.7 | -88.1 | 0 | 0 | 0 | 112.5 | R132 G133 F188 N189 A192 | R132-Y173 HydrophobicContact CG-CD2 4.37Å; G133-Y173 CarbonylContact O-C 3.16Å; G133-Y173 WeakPolarHBondContact O-CA 3.19Å; G133-Y173 WeakPolarHBondContact O-CB 3.12Å; Y173-F188 WeakPolarHBondContact O-CD1 3.5Å; Y173-N189 HydrophobicContact CE2-CB 4.27Å; Y173-A192 WeakPolarHBondContact CD1-O 3.44Å; Y173-A192 HydrophobicContact CE1-CB 4.32Å; Y173-A192 VanDerWaalsContact CE1-O 3.26Å; Y173-A192 WeakPolarHBondContact CE1-O 3.37Å; Y173-A192 HydrophobicContact CE2-CB 4.46Å; Y173-A192 PolarHBondContact N-O 3.48Å; Y173-A192 WeakPolarHBondContact O-CB 3.48Å |
| 174 | L | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | 175 | -55.9 | 93.6 | 0 | 0 | 0 | 107.6 | F86 R132 G133 I135 F186 G187 F188 | F86-L174 HydrophobicContact CE1-CD2 3.66Å; F86-L174 HydrophobicContact CZ-CD2 3.66Å; R132-L174 CarbonylContact C-O 3.36Å; R132-L174 VanDerWaalsContact CA-O 3.32Å; R132-L174 WeakPolarHBondContact CA-O 3.39Å; G133-L174 PolarHBondContact N-O 2.91Å; G133-L174 PolarHBondContact O-N 2.95Å; I135-L174 HydrophobicContact CD1-CD1 3.51Å; I135-L174 HydrophobicContact CG1-CD1 3.79Å; L174-F186 HydrophobicContact CB-CD2 4.27Å; L174-F186 HydrophobicContact CD2-CD2 3.93Å; L174-F186 HydrophobicContact CD2-CE2 3.85Å; L174-G187 WeakPolarHBondContact CA-O 3.48Å; L174-F188 HydrophobicContact CD1-CD1 4.5Å; L174-F188 HydrophobicContact CD1-CE1 3.8Å; L174-F188 HydrophobicContact CD1-CZ 4.08Å; L174-F188 HydrophobicContact CD2-CD1 4.31Å; L174-F188 HydrophobicContact CD2-CD2 4.22Å; L174-F188 HydrophobicContact CD2-CE1 3.96Å; L174-F188 HydrophobicContact CD2-CE2 3.89Å; L174-F188 HydrophobicContact CD2-CG 4.42Å; L174-F188 HydrophobicContact CD2-CZ 3.74Å; L174-F188 HydrophobicContact CG-CD1 3.85Å; L174-F188 HydrophobicContact CG-CE1 3.58Å; L174-F188 HydrophobicContact CG-CE2 4.41Å; L174-F188 HydrophobicContact CG-CG 4.36Å; L174-F188 HydrophobicContact CG-CZ 3.89Å |
| 175 | D | 89.3 | Confident | 82.8 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 147.5 | 173.9 | -80 | -27.1 | 0 | 0 | 0 | 110 | R132 K177 F186 G187 N189 | R132-D175 WeakPolarHBondContact CG-OD1 3.19Å; R132-D175 IonicContact CZ-OD1 3.7Å; R132-D175 VanDerWaalsContact CZ-OD1 3.29Å; R132-D175 IonicContact CZ-OD2 3.28Å; R132-D175 IonicContact NE-OD1 2.79Å; R132-D175 PolarHBondContact NE-OD1 2.71Å; R132-D175 IonicContact NE-OD2 3.09Å; R132-D175 VanDerWaalsContact NH2-CG 3.35Å; R132-D175 IonicContact NH2-OD1 3.76Å; R132-D175 PolarHBondContact NH2-OD1 3.4Å; R132-D175 IonicContact NH2-OD2 2.67Å; R132-D175 PolarHBondContact NH2-OD2 2.66Å; D175-K177 PolarHBondContact O-N 2.79Å; D175-F186 CarbonylContact O-C 3.54Å; D175-F186 VanDerWaalsContact O-CA 3.28Å; D175-F186 WeakPolarHBondContact O-CA 3.29Å; D175-G187 PolarHBondContact N-O 3.11Å; D175-G187 PolarHBondContact O-N 3.07Å; D175-N189 PolarHBondContact OD2-ND2 2.71Å |
| 176 | W | 88.4 | Confident | 83.2 | Confident | 123 Ų | 123 | 37.4 Ų | 37.4 | 47% | 0.466 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 130.9 | 160.6 | -178.5 | 87.8 | 0 | 0 | 0 | 109.8 | K131 F579 | K131-W176 HydrophobicContact CB-CB 3.61Å; K131-W176 HydrophobicContact CB-CG 4.35Å; K131-W176 HydrophobicContact CD-CB 4.18Å; K131-W176 HydrophobicContact CD-CD2 4.43Å; K131-W176 HydrophobicContact CD-CG 4.04Å; K131-W176 PolarHBondContact O-N 3.46Å; W176-F579 HydrophobicContact CB-CD2 4.5Å |
| 177 | K | 84.8 | Confident | 83.7 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | trans | -121.5 | 153.2 | -176.8 | -69.2 | -169.5 | -177.9 | -173.6 | 0 | 110.4 | D85 D175 E181 T182 G185 F188 | D85-K177 IonicContact OD2-NZ 2.69Å; D85-K177 PolarHBondContact OD2-NZ 3.29Å; D175-K177 PolarHBondContact O-N 2.79Å; K177-E181 HydrophobicContact CB-CB 4.3Å; K177-E181 HydrophobicContact CD-CB 4.45Å; K177-T182 HydrophobicContact CB-CG2 3.51Å; K177-T182 HydrophobicContact CD-CG2 3.64Å; K177-T182 HydrophobicContact CG-CG2 4.15Å; K177-G185 PolarHBondContact N-O 2.84Å; K177-G185 CarbonylContact O-C 3.54Å; K177-G185 WeakPolarHBondContact O-CA 3.1Å; K177-F188 WeakPolarHBondContact CE-O 3.3Å; K177-F188 PolarHBondContact NZ-O 3.05Å | ||
| 178 | S | 80.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 19% | 0.189 | 16% | 0.161 | C | C | . | . | trans | -70 | 153.1 | 175.2 | 77.6 | 0 | 0 | 0 | 0 | 111.6 | Y180 E181 T182 | S178-Y180 PolarHBondContact O-N 2.84Å; S178-Y180 PolarHBondContact OG-N 3.28Å; S178-E181 WeakPolarHBondContact CB-OE1 3.29Å; S178-E181 PolarHBondContact N-OE1 2.8Å; S178-E181 PolarHBondContact O-N 3.35Å; S178-E181 PolarHBondContact OG-OE1 3.39Å; S178-T182 PolarHBondContact O-N 2.92Å; S178-T182 VanDerWaalsContact O-N 3.15Å | ||
| 179 | N | 71.9 | Confident | 83.5 | Confident | 86 Ų | 86 | 37.9 Ų | 37.9 | 46% | 0.46 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -14 | 174.2 | -77.9 | -15.7 | 0 | 0 | 0 | 113.7 | T182 K758 | N179-T182 WeakPolarHBondContact CA-O 3.38Å; N179-K758 VanDerWaalsContact OD1-CE 3.26Å; N179-K758 WeakPolarHBondContact OD1-CE 3.37Å; N179-K758 PolarHBondContact OD1-NZ 2.99Å |
| 180 | Y | 72.1 | Confident | 82.6 | Confident | 227 Ų | 227 | 47.7 Ų | 47.7 | 89% | 0.89 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23.3 | 176.1 | -60.8 | -72 | 0 | 0 | 0 | 112.8 | S178 | S178-Y180 PolarHBondContact O-N 2.84Å; S178-Y180 PolarHBondContact OG-N 3.28Å |
| 181 | E | 75.4 | Confident | 81.9 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -42.9 | 174 | -67.5 | 151.2 | -114.1 | 0 | 0 | 110.8 | K177 S178 | K177-E181 HydrophobicContact CB-CB 4.3Å; K177-E181 HydrophobicContact CD-CB 4.45Å; S178-E181 WeakPolarHBondContact CB-OE1 3.29Å; S178-E181 PolarHBondContact N-OE1 2.8Å; S178-E181 PolarHBondContact O-N 3.35Å; S178-E181 PolarHBondContact OG-OE1 3.39Å |
| 182 | T | 77.2 | Confident | 81.4 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | trans | -153.1 | 139.5 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | K177 S178 N179 L184 G185 | K177-T182 HydrophobicContact CB-CG2 3.51Å; K177-T182 HydrophobicContact CD-CG2 3.64Å; K177-T182 HydrophobicContact CG-CG2 4.15Å; S178-T182 PolarHBondContact O-N 2.92Å; S178-T182 VanDerWaalsContact O-N 3.15Å; N179-T182 WeakPolarHBondContact CA-O 3.38Å; T182-L184 PolarHBondContact O-N 2.86Å; T182-L184 PolarHBondContact OG1-N 2.83Å; T182-L184 VanDerWaalsContact OG1-N 3.12Å; T182-G185 PolarHBondContact O-N 2.87Å; T182-G185 VanDerWaalsContact O-N 3.15Å | ||
| 183 | L | 75.3 | Confident | 81.1 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.5 | 174.6 | -57.8 | 173.4 | 0 | 0 | 0 | 112.4 | G185 Y739 D753 K758 | L183-G185 VanDerWaalsContact C-N 3.26Å; L183-G185 PolarHBondContact O-N 2.88Å; L183-Y739 HydrophobicContact CD1-CD1 4.14Å; L183-Y739 HydrophobicContact CD1-CG 4.35Å; L183-Y739 HydrophobicContact CD2-CD1 3.77Å; L183-Y739 HydrophobicContact CD2-CE1 3.99Å; L183-Y739 HydrophobicContact CD2-CG 4.12Å; L183-D753 WeakPolarHBondContact CB-O 3.45Å; L183-K758 WeakPolarHBondContact O-CE 3.1Å; L183-K758 PolarHBondContact O-NZ 3.25Å |
| 184 | L | 79.7 | Confident | 80.9 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.9 | 169.6 | -65.9 | 173 | 0 | 0 | 0 | 111.5 | C81 T83 F86 T182 F186 G754 W756 L757 | C81-L184 HydrophobicContact CB-CD1 3.72Å; T83-L184 HydrophobicContact CG2-CD1 3.63Å; T83-L184 HydrophobicContact CG2-CG 3.85Å; T83-L184 WeakPolarHBondContact OG1-CD1 3.39Å; F86-L184 HydrophobicContact CD2-CD1 4.02Å; F86-L184 HydrophobicContact CE2-CD1 3.62Å; F86-L184 HydrophobicContact CZ-CD1 4.38Å; T182-L184 PolarHBondContact O-N 2.86Å; T182-L184 PolarHBondContact OG1-N 2.83Å; T182-L184 VanDerWaalsContact OG1-N 3.12Å; L184-F186 HydrophobicContact CB-CD1 3.92Å; L184-F186 HydrophobicContact CB-CE1 4Å; L184-F186 PolarHBondContact O-N 2.88Å; L184-G754 VanDerWaalsContact CD2-CA 3.48Å; L184-W756 HydrophobicContact CD2-CZ2 3.87Å; L184-L757 HydrophobicContact CD2-CD2 4.23Å; L184-L757 VanDerWaalsContact O-CD2 3.29Å; L184-L757 WeakPolarHBondContact O-CD2 3.33Å |
| 185 | G | 80.4 | Confident | 80.5 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 78.1 | 4.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K177 T182 L183 | K177-G185 PolarHBondContact N-O 2.84Å; K177-G185 CarbonylContact O-C 3.54Å; K177-G185 WeakPolarHBondContact O-CA 3.1Å; T182-G185 PolarHBondContact O-N 2.87Å; T182-G185 VanDerWaalsContact O-N 3.15Å; L183-G185 VanDerWaalsContact C-N 3.26Å; L183-G185 PolarHBondContact O-N 2.88Å |
| 186 | F | 88.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 164.2 | 172.3 | 77.7 | -66.3 | 0 | 0 | 0 | 110.3 | F86 L174 D175 L184 L577 D578 V604 A606 | F86-F186 HydrophobicContact CZ-CD2 4.32Å; F86-F186 AromaticContact CZ-CE2 3.87Å; F86-F186 HydrophobicContact CZ-CE2 3.87Å; F86-F186 HydrophobicContact CZ-CZ 4.09Å; L174-F186 HydrophobicContact CB-CD2 4.27Å; L174-F186 HydrophobicContact CD2-CD2 3.93Å; L174-F186 HydrophobicContact CD2-CE2 3.85Å; D175-F186 CarbonylContact O-C 3.54Å; D175-F186 VanDerWaalsContact O-CA 3.28Å; D175-F186 WeakPolarHBondContact O-CA 3.29Å; L184-F186 HydrophobicContact CB-CD1 3.92Å; L184-F186 HydrophobicContact CB-CE1 4Å; L184-F186 PolarHBondContact O-N 2.88Å; F186-L577 HydrophobicContact CD2-CB 4.49Å; F186-L577 HydrophobicContact CE2-CB 4.2Å; F186-D578 HydrophobicContact CB-CB 4.17Å; F186-D578 HydrophobicContact CD1-CB 3.3Å; F186-D578 HydrophobicContact CD2-CB 4.33Å; F186-D578 HydrophobicContact CE1-CB 3.67Å; F186-D578 HydrophobicContact CG-CB 3.69Å; F186-D578 HydrophobicContact CZ-CB 4.32Å; F186-V604 HydrophobicContact CE2-CG1 4.26Å; F186-V604 HydrophobicContact CZ-CG1 4.22Å; F186-A606 HydrophobicContact CE1-CB 3.95Å; F186-A606 HydrophobicContact CZ-CB 3.94Å |
| 187 | G | 86.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L174 D175 | L174-G187 WeakPolarHBondContact CA-O 3.48Å; D175-G187 PolarHBondContact N-O 3.11Å; D175-G187 PolarHBondContact O-N 3.07Å |
| 188 | F | 84.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 144.7 | 175.9 | -64.9 | -73.9 | 0 | 0 | 0 | 112.4 | F86 S89 I135 C172 Y173 L174 K177 A192 I602 | F86-F188 AromaticContact CD1-CD2 3.93Å; F86-F188 HydrophobicContact CD1-CD2 3.93Å; F86-F188 AromaticContact CD1-CE2 3.58Å; F86-F188 HydrophobicContact CD1-CE2 3.58Å; F86-F188 HydrophobicContact CE1-CD2 4.05Å; F86-F188 AromaticContact CE1-CE2 3.66Å; F86-F188 HydrophobicContact CE1-CE2 3.66Å; F86-F188 HydrophobicContact CG-CD2 4.31Å; F86-F188 HydrophobicContact CG-CE2 4.37Å; S89-F188 VanDerWaalsContact OG-CB 3.29Å; S89-F188 WeakPolarHBondContact OG-CB 3.49Å; S89-F188 WeakPolarHBondContact OG-CD2 3.26Å; S89-F188 VanDerWaalsContact OG-CG 3.24Å; S89-F188 WeakPolarHBondContact OG-CG 3.29Å; I135-F188 HydrophobicContact CD1-CE1 4.48Å; I135-F188 HydrophobicContact CD1-CZ 4.11Å; C172-F188 HydrophobicContact CB-CE1 3.91Å; Y173-F188 WeakPolarHBondContact O-CD1 3.5Å; L174-F188 HydrophobicContact CD1-CD1 4.5Å; L174-F188 HydrophobicContact CD1-CE1 3.8Å; L174-F188 HydrophobicContact CD1-CZ 4.08Å; L174-F188 HydrophobicContact CD2-CD1 4.31Å; L174-F188 HydrophobicContact CD2-CD2 4.22Å; L174-F188 HydrophobicContact CD2-CE1 3.96Å; L174-F188 HydrophobicContact CD2-CE2 3.89Å; L174-F188 HydrophobicContact CD2-CG 4.42Å; L174-F188 HydrophobicContact CD2-CZ 3.74Å; L174-F188 HydrophobicContact CG-CD1 3.85Å; L174-F188 HydrophobicContact CG-CE1 3.58Å; L174-F188 HydrophobicContact CG-CE2 4.41Å; L174-F188 HydrophobicContact CG-CG 4.36Å; L174-F188 HydrophobicContact CG-CZ 3.89Å; K177-F188 WeakPolarHBondContact CE-O 3.3Å; K177-F188 PolarHBondContact NZ-O 3.05Å; F188-A192 HydrophobicContact CB-CB 4.04Å; F188-A192 HydrophobicContact CD1-CB 3.88Å; F188-A192 HydrophobicContact CG-CB 4.45Å; F188-I602 HydrophobicContact CE2-CD1 4.39Å; F188-I602 HydrophobicContact CZ-CD1 3.77Å |
| 189 | N | 78.5 | Confident | 75.9 | Confident | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 169 | 166 | -70.2 | -14.6 | 0 | 0 | 0 | 111.7 | Y173 D175 N191 A192 | Y173-N189 HydrophobicContact CE2-CB 4.27Å; D175-N189 PolarHBondContact OD2-ND2 2.71Å; N189-N191 PolarHBondContact O-N 3.31Å; N189-A192 HydrophobicContact CB-CB 4.45Å; N189-A192 WeakPolarHBondContact O-CB 3.15Å; N189-A192 PolarHBondContact O-N 2.78Å |
| 190 | Y | 71.5 | Confident | 74.5 | Confident | 206 Ų | 206 | 62.3 Ų | 62.3 | 81% | 0.808 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 129.5 | 165.1 | -66.9 | -81 | 0 | 0 | 0 | 110.2 | A192 | Y190-A192 VanDerWaalsContact C-N 3.3Å; Y190-A192 PolarHBondContact O-N 3.29Å |
| 191 | N | 73.3 | Confident | 72.8 | Confident | 126 Ų | 126 | 60 Ų | 60 | 67% | 0.674 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 39.7 | -175.6 | -57.6 | -13.6 | 0 | 0 | 0 | 114.1 | N189 C193 | N189-N191 PolarHBondContact O-N 3.31Å; N191-C193 PolarHBondContact O-N 3.32Å |
| 192 | A | 81.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -7.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | C172 Y173 F188 N189 Y190 | C172-A192 CarbonylContact C-O 3.59Å; C172-A192 VanDerWaalsContact CA-O 3.25Å; C172-A192 WeakPolarHBondContact CA-O 3.13Å; Y173-A192 WeakPolarHBondContact CD1-O 3.44Å; Y173-A192 HydrophobicContact CE1-CB 4.32Å; Y173-A192 VanDerWaalsContact CE1-O 3.26Å; Y173-A192 WeakPolarHBondContact CE1-O 3.37Å; Y173-A192 HydrophobicContact CE2-CB 4.46Å; Y173-A192 PolarHBondContact N-O 3.48Å; Y173-A192 WeakPolarHBondContact O-CB 3.48Å; F188-A192 HydrophobicContact CB-CB 4.04Å; F188-A192 HydrophobicContact CD1-CB 3.88Å; F188-A192 HydrophobicContact CG-CB 4.45Å; N189-A192 HydrophobicContact CB-CB 4.45Å; N189-A192 WeakPolarHBondContact O-CB 3.15Å; N189-A192 PolarHBondContact O-N 2.78Å; Y190-A192 VanDerWaalsContact C-N 3.3Å; Y190-A192 PolarHBondContact O-N 3.29Å |
| 193 | C | 85.6 | Confident | 69.4 | Low | 15 Ų | 15 | 70 Ų | 70 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.5 | -177.7 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | L96 I170 L171 C172 N191 | L96-C193 HydrophobicContact CD1-CB 4.17Å; I170-C193 HydrophobicContact CG2-CB 4Å; L171-C193 WeakPolarHBondContact O-CA 3.31Å; C172-C193 HydrophobicContact CB-CB 4.12Å; C172-C193 WeakPolarHBondContact CB-SG 3.46Å; C172-C193 WeakPolarHBondContact SG-CB 3.11Å; C172-C193 CovalentContact SG-SG 2.04Å; C172-C193 PolarHBondContact SG-SG 3.03Å; N191-C193 PolarHBondContact O-N 3.32Å |
| 194 | I | 85.9 | Confident | 67.8 | Low | 76 Ų | 76 | 75.2 Ų | 75.2 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147 | 175.2 | 62.9 | 171.2 | 0 | 0 | 0 | 110.8 | I170 L171 L196 I255 | I170-I194 WeakPolarHBondContact CA-O 3.39Å; L171-I194 HydrophobicContact CB-CG1 4.22Å; L171-I194 PolarHBondContact N-O 2.91Å; L171-I194 PolarHBondContact O-N 2.87Å; I194-L196 HydrophobicContact CD1-CD2 4.07Å; I194-L196 HydrophobicContact CG1-CD2 4.31Å; I194-I255 HydrophobicContact CD1-CD1 3.53Å |
| 195 | I | 81.6 | Confident | 66.2 | Low | 49 Ų | 49 | 83.3 Ų | 83.3 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 126.8 | 172.1 | -56.5 | 176.7 | 0 | 0 | 0 | 107.8 | L96 M169 I170 Q197 | L96-I195 HydrophobicContact CD2-CD1 3.94Å; L96-I195 HydrophobicContact CD2-CG1 4.14Å; M169-I195 WeakPolarHBondContact O-CA 3.37Å; I170-I195 HydrophobicContact CG1-CG1 4.3Å; I195-Q197 VanDerWaalsContact C-N 3.26Å; I195-Q197 HydrophobicContact CG2-CB 3.98Å; I195-Q197 HydrophobicContact CG2-CG 3.88Å; I195-Q197 PolarHBondContact O-N 3.24Å |
| 196 | L | 82.3 | Confident | 64.7 | Low | 20 Ų | 20 | 87.6 Ų | 87.6 | 11% | 0.105 | 43% | 0.431 | C | S | . | . | trans | -84.2 | 7.8 | -176.7 | -64.4 | 179.5 | 0 | 0 | 0 | 114.2 | L136 M169 L171 I194 S198 F227 Y229 I255 | L136-L196 HydrophobicContact CD1-CD1 3.6Å; M169-L196 HydrophobicContact CB-CB 4.18Å; M169-L196 PolarHBondContact O-N 2.8Å; L171-L196 HydrophobicContact CB-CD1 4.01Å; L171-L196 HydrophobicContact CB-CD2 4.06Å; L171-L196 HydrophobicContact CB-CG 4.02Å; L171-L196 HydrophobicContact CD2-CD2 4.34Å; I194-L196 HydrophobicContact CD1-CD2 4.07Å; I194-L196 HydrophobicContact CG1-CD2 4.31Å; L196-S198 PolarHBondContact O-N 3.41Å; L196-F227 HydrophobicContact CD1-CE2 3.53Å; L196-F227 HydrophobicContact CD1-CZ 3.89Å; L196-Y229 HydrophobicContact CD1-CD1 4.48Å; L196-Y229 HydrophobicContact CD1-CE1 3.83Å; L196-I255 HydrophobicContact CD2-CD1 4.42Å | ||
| 197 | Q | 68.5 | Low | 63.6 | Low | 56 Ų | 56 | 91.6 Ų | 91.6 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | trans | -64 | 131.6 | 178.7 | -76.9 | 179 | -20.7 | 0 | 0 | 110.4 | S167 I195 N199 | S167-Q197 PolarHBondContact O-NE2 3.09Å; I195-Q197 VanDerWaalsContact C-N 3.26Å; I195-Q197 HydrophobicContact CG2-CB 3.98Å; I195-Q197 HydrophobicContact CG2-CG 3.88Å; I195-Q197 PolarHBondContact O-N 3.24Å; Q197-N199 PolarHBondContact O-N 3.17Å | ||
| 198 | S | 53.3 | Low | 63.1 | Low | 66 Ų | 66 | 93 Ų | 93 | 46% | 0.462 | 46% | 0.459 | S | S | . | . | trans | -60.5 | 132 | 169.2 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | L196 S200 | L196-S198 PolarHBondContact O-N 3.41Å; S198-S200 PolarHBondContact O-N 2.98Å | ||
| 199 | N | 41.4 | Very low | 62.9 | Low | 160 Ų | 160 | 94.3 Ų | 94.3 | 86% | 0.856 | 47% | 0.465 | S | S | * | . | trans | -71.9 | 60.2 | 170.8 | -112.6 | -14 | 0 | 0 | 0 | 109.7 | Q197 M201 | Q197-N199 PolarHBondContact O-N 3.17Å; N199-M201 PolarHBondContact O-N 3.37Å | ||
| 200 | S | 41.9 | Very low | 63.4 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | trans | -63.2 | 103 | 168.4 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | S198 N202 | S198-S200 PolarHBondContact O-N 2.98Å; S200-N202 CarbonylContact O-C 3.58Å; S200-N202 PolarHBondContact O-N 3Å | ||
| 201 | M | 37.9 | Very low | 64.3 | Low | 178 Ų | 178 | 83.7 Ų | 83.7 | 88% | 0.877 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -57.5 | -17.6 | 177.7 | -75.4 | -74.5 | -154.2 | 0 | 0 | 112.6 | N199 R203 | N199-M201 PolarHBondContact O-N 3.37Å; M201-R203 PolarHBondContact O-N 2.74Å |
| 202 | N | 39.1 | Very low | 65 | Low | 119 Ų | 119 | 77.7 Ų | 77.7 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | trans | -75.4 | 86.2 | 168.2 | -72.3 | -5.2 | 0 | 0 | 0 | 110.3 | S200 D204 | S200-N202 CarbonylContact O-C 3.58Å; S200-N202 PolarHBondContact O-N 3Å; N202-D204 PolarHBondContact O-N 3.29Å | ||
| 203 | R | 41.1 | Very low | 65.5 | Low | 224 Ų | 224 | 78.1 Ų | 78.1 | 85% | 0.845 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -16.2 | 168.5 | -72.3 | -174.5 | 176.5 | -170.7 | -1.3 | 114.2 | M201 Y205 | M201-R203 PolarHBondContact O-N 2.74Å; R203-Y205 VanDerWaalsContact C-N 3.32Å; R203-Y205 PolarHBondContact O-N 3.24Å |
| 204 | D | 42.3 | Very low | 66 | Low | 137 Ų | 137 | 78.4 Ų | 78.4 | 73% | 0.733 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -30.1 | -161.4 | -71.6 | -22.6 | 0 | 0 | 0 | 114.1 | N202 | N202-D204 PolarHBondContact O-N 3.29Š|
| 205 | Y | 44.7 | Very low | 66.4 | Low | 172 Ų | 172 | 75.4 Ų | 75.4 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | trans | -144.2 | 115.5 | 162.6 | -73.3 | -87.4 | 0 | 0 | 0 | 110.6 | R203 D207 | R203-Y205 VanDerWaalsContact C-N 3.32Å; R203-Y205 PolarHBondContact O-N 3.24Å; Y205-D207 VanDerWaalsContact C-N 3.26Å; Y205-D207 WeakPolarHBondContact CB-OD1 3.49Å; Y205-D207 PolarHBondContact O-N 2.94Å | ||
| 206 | N | 50.6 | Low | 67.1 | Low | 97 Ų | 97 | 73.5 Ų | 73.5 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | trans | -72.8 | 87.5 | 160.2 | -104.9 | -14.8 | 0 | 0 | 0 | 107.5 | H208 | N206-H208 PolarHBondContact O-N 2.88Š| ||
| 207 | D | 63.8 | Low | 67.7 | Low | 84 Ų | 84 | 73.1 Ų | 73.1 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | trans | -67.5 | 34 | 179.1 | -69.9 | -25.2 | 0 | 0 | 0 | 113.6 | Y205 W234 R244 | Y205-D207 VanDerWaalsContact C-N 3.26Å; Y205-D207 WeakPolarHBondContact CB-OD1 3.49Å; Y205-D207 PolarHBondContact O-N 2.94Å; D207-W234 VanDerWaalsContact O-CD1 3.3Å; D207-R244 PolarHBondContact O-NH2 2.88Å | ||
| 208 | H | 75.2 | Confident | 68.8 | Low | 30 Ų | 30 | 72 Ų | 72 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | trans | -111.4 | 82.4 | -177.4 | -68 | -61.1 | 0 | 0 | 0 | 109.8 | S167 N206 L211 D231 R244 | S167-H208 PolarHBondContact OG-O 2.81Å; N206-H208 PolarHBondContact O-N 2.88Å; H208-L211 HydrophobicContact CB-CB 4.16Å; H208-D231 WeakPolarHBondContact CA-OD2 3.49Å; H208-R244 PolarHBondContact CE1-NH2 2.84Å; H208-R244 PolarHBondContact ND1-NH2 2.96Å | ||
| 209 | E | 81.1 | Confident | 70.6 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -71.8 | -50.3 | -176.5 | -65.7 | -167.3 | -165 | 0 | 0 | 111.1 | S162 R164 H165 S167 D231 L233 R235 | S162-E209 VanDerWaalsContact CB-OE2 3.25Å; S162-E209 WeakPolarHBondContact CB-OE2 3.41Å; S162-E209 PolarHBondContact OG-OE1 3.48Å; S162-E209 PolarHBondContact OG-OE2 2.99Å; R164-E209 CarbonylContact C-O 3.54Å; R164-E209 WeakPolarHBondContact CB-O 3.4Å; H165-E209 PolarHBondContact N-O 3.22Å; S167-E209 VanDerWaalsContact OG-C 3.29Å; S167-E209 PolarHBondContact OG-O 2.81Å; E209-D231 PolarHBondContact N-OD2 3.01Å; E209-L233 HydrophobicContact CB-CB 3.63Å; E209-R235 WeakPolarHBondContact OE1-CD 3.18Å; E209-R235 WeakPolarHBondContact OE1-CG 3.4Å; E209-R235 IonicContact OE1-CZ 2.76Å; E209-R235 IonicContact OE1-NE 3.39Å; E209-R235 PolarHBondContact OE1-NE 2.74Å; E209-R235 IonicContact OE1-NH2 3.37Å; E209-R235 IonicContact OE2-CZ 3.83Å; E209-R235 IonicContact OE2-NE 2.82Å; E209-R235 PolarHBondContact OE2-NE 3.06Å; E209-R235 IonicContact OE2-NH2 3.73Å; E209-R235 PolarHBondContact OE2-NH2 2.78Å |
| 210 | F | 89.3 | Confident | 72.8 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -142.1 | 45.2 | -179.9 | -167.1 | -168.5 | 0 | 0 | 0 | 112.8 | T120 R164 S167 G212 A213 D231 P232 L233 | T120-F210 HydrophobicContact CG2-CE2 3.67Å; T120-F210 HydrophobicContact CG2-CZ 3.88Å; T120-F210 WeakPolarHBondContact OG1-CE2 3.43Å; R164-F210 HydrophobicContact CB-CB 4.33Å; R164-F210 HydrophobicContact CB-CG 4.41Å; S167-F210 VanDerWaalsContact OG-CA 3.29Å; S167-F210 WeakPolarHBondContact OG-CA 3.37Å; S167-F210 PolarHBondContact OG-N 3.2Å; F210-G212 PolarHBondContact O-N 2.84Å; F210-A213 HydrophobicContact CD1-CB 3.67Å; F210-A213 HydrophobicContact CD2-CB 3.74Å; F210-A213 HydrophobicContact CE1-CB 3.53Å; F210-A213 HydrophobicContact CE2-CB 3.61Å; F210-A213 HydrophobicContact CG-CB 3.77Å; F210-A213 HydrophobicContact CZ-CB 3.5Å; F210-A213 VanDerWaalsContact CZ-CB 3.5Å; F210-A213 WeakPolarHBondContact O-CB 3.48Å; F210-A213 PolarHBondContact O-N 2.66Å; F210-D231 WeakPolarHBondContact CA-OD1 3.32Å; F210-D231 PolarHBondContact N-OD1 2.98Å; F210-D231 PolarHBondContact N-OD2 2.97Å; F210-D231 WeakPolarHBondContact O-CA 3.06Å; F210-P232 HydrophobicContact CD1-CG 4.11Å; F210-P232 WeakPolarHBondContact O-CD 3.2Å; F210-L233 HydrophobicContact CB-CB 3.96Å; F210-L233 HydrophobicContact CB-CD1 3.85Å; F210-L233 HydrophobicContact CB-CG 3.81Å; F210-L233 HydrophobicContact CD1-CD1 4.21Å; F210-L233 HydrophobicContact CD1-CG 4.18Å; F210-L233 HydrophobicContact CG-CD1 4.46Å |
| 211 | L | 89.7 | Confident | 75 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132 | 173.8 | -169.3 | 73.3 | 0 | 0 | 0 | 111.2 | S167 M169 H208 Y229 D231 F246 | S167-L211 VanDerWaalsContact CB-N 3.3Å; S167-L211 WeakPolarHBondContact CB-O 3.19Å; S167-L211 PolarHBondContact OG-N 2.97Å; S167-L211 VanDerWaalsContact OG-N 3.14Å; M169-L211 HydrophobicContact CG-CD2 3.81Å; M169-L211 HydrophobicContact CG-CG 3.86Å; H208-L211 HydrophobicContact CB-CB 4.16Å; L211-Y229 HydrophobicContact CD1-CD2 3.7Å; L211-Y229 HydrophobicContact CD1-CE2 3.83Å; L211-Y229 HydrophobicContact CD2-CD2 4.47Å; L211-Y229 HydrophobicContact CD2-CE2 4.15Å; L211-Y229 HydrophobicContact CG-CD2 4.04Å; L211-Y229 HydrophobicContact CG-CE2 4.19Å; L211-D231 HydrophobicContact CB-CB 4.14Å; L211-D231 HydrophobicContact CD1-CB 3.83Å; L211-F246 HydrophobicContact CD1-CD2 3.72Å; L211-F246 HydrophobicContact CD1-CE2 3.56Å |
| 212 | G | 88.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 18.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T120 S121 G138 M169 F210 T214 C230 | T120-G212 PolarHBondContact OG1-O 2.77Å; S121-G212 WeakPolarHBondContact CB-O 3.43Å; S121-G212 PolarHBondContact N-O 3.07Å; S121-G212 PolarHBondContact OG-O 2.89Å; G138-G212 CarbonylContact C-O 3.37Å; M169-G212 WeakPolarHBondContact SD-CA 3.4Å; F210-G212 PolarHBondContact O-N 2.84Å; G212-T214 PolarHBondContact O-N 3.08Å; G212-C230 PolarHBondContact N-O 2.9Å |
| 213 | A | 92.5 | Very high | 79.6 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -56.9 | -33.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F210 C230 P232 | F210-A213 HydrophobicContact CD1-CB 3.67Å; F210-A213 HydrophobicContact CD2-CB 3.74Å; F210-A213 HydrophobicContact CE1-CB 3.53Å; F210-A213 HydrophobicContact CE2-CB 3.61Å; F210-A213 HydrophobicContact CG-CB 3.77Å; F210-A213 HydrophobicContact CZ-CB 3.5Å; F210-A213 VanDerWaalsContact CZ-CB 3.5Å; F210-A213 WeakPolarHBondContact O-CB 3.48Å; F210-A213 PolarHBondContact O-N 2.66Å; A213-C230 PolarHBondContact N-O 3.39Å; A213-P232 HydrophobicContact CB-CG 3.53Å |
| 214 | T | 94.8 | Very high | 82 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149.9 | 174.1 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | G212 Y229 C230 G278 H279 | G212-T214 PolarHBondContact O-N 3.08Å; T214-Y229 VanDerWaalsContact O-CA 3.27Å; T214-Y229 WeakPolarHBondContact O-CA 3.34Å; T214-C230 PolarHBondContact O-N 3.05Å; T214-C230 VanDerWaalsContact O-N 3.11Å; T214-G278 WeakPolarHBondContact CG2-O 3.34Å; T214-G278 PolarHBondContact OG1-O 2.87Å; T214-H279 WeakPolarHBondContact CG2-O 3.18Å |
| 215 | S | 95.5 | Very high | 84.4 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 148.6 | 171.8 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | S121 I122 S123 L228 | S121-S215 VanDerWaalsContact CB-OG 3.31Å; S121-S215 WeakPolarHBondContact CB-OG 3.44Å; S121-S215 PolarHBondContact OG-OG 3.5Å; I122-S215 PolarHBondContact N-OG 3.46Å; I122-S215 PolarHBondContact O-OG 3.15Å; S123-S215 PolarHBondContact N-OG 2.86Å; S215-L228 CarbonylContact C-O 3.55Å; S215-L228 WeakPolarHBondContact CA-O 3.35Å |
| 216 | Q | 95.3 | Very high | 86.7 | Confident | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 144.2 | 172.1 | -168.9 | 64 | -84.4 | 0 | 0 | 109.7 | F227 L228 I281 L283 S572 | Q216-F227 CarbonylContact O-C 3.57Å; Q216-F227 WeakPolarHBondContact O-CA 3.4Å; Q216-L228 PolarHBondContact N-O 3.41Å; Q216-L228 PolarHBondContact O-N 3.14Å; Q216-I281 HydrophobicContact CB-CD1 3.76Å; Q216-I281 HydrophobicContact CB-CG1 4.03Å; Q216-L283 HydrophobicContact CB-CD1 4.19Å; Q216-L283 HydrophobicContact CB-CG 4.35Å; Q216-L283 HydrophobicContact CG-CB 4.08Å; Q216-L283 HydrophobicContact CG-CD1 4.07Å; Q216-L283 HydrophobicContact CG-CG 4.02Å; Q216-S572 PolarHBondContact NE2-OG 3.23Å |
| 217 | S | 94.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154.8 | 173.7 | 38.6 | 0 | 0 | 0 | 0 | 111.2 | S123 I124 L226 | S123-S217 WeakPolarHBondContact CB-OG 3.36Å; S123-S217 PolarHBondContact OG-OG 3.28Å; I124-S217 PolarHBondContact N-OG 2.81Å; I124-S217 PolarHBondContact O-OG 2.86Å; S217-L226 CarbonylContact C-O 3.53Å; S217-L226 VanDerWaalsContact CA-O 3.27Å; S217-L226 WeakPolarHBondContact CA-O 2.94Å |
| 218 | I | 91.7 | Very high | 90.3 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 17% | 0.169 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 130.3 | 171 | -166.7 | 162.3 | 0 | 0 | 0 | 110 | L226 L283 | I218-L226 HydrophobicContact CG2-CB 4Å; I218-L226 HydrophobicContact CG2-CD2 4.43Å; I218-L226 PolarHBondContact N-O 3.32Å; I218-L226 PolarHBondContact O-N 2.69Å; I218-L283 HydrophobicContact CB-CB 4.09Å; I218-L283 HydrophobicContact CB-CD1 4.44Å; I218-L283 HydrophobicContact CD1-CB 4.47Å; I218-L283 HydrophobicContact CG2-CB 3.91Å; I218-L283 HydrophobicContact CG2-CD1 3.96Å; I218-L283 HydrophobicContact CG2-CG 4.48Å |
| 219 | K | 90.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 22.2 Ų | 22.2 | 26% | 0.261 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.3 | 172.8 | -179.7 | 173.3 | 171.7 | 179.9 | 0 | 108.6 | T126 E128 D575 | T126-K219 WeakPolarHBondContact OG1-CD 3.25Å; T126-K219 WeakPolarHBondContact OG1-CE 3.46Å; T126-K219 PolarHBondContact OG1-NZ 3.43Å; E128-K219 WeakPolarHBondContact OE1-CE 3.24Å; E128-K219 IonicContact OE1-NZ 3.59Å; E128-K219 PolarHBondContact OE1-NZ 2.83Å; K219-D575 IonicContact NZ-OD1 2.58Å |
| 220 | I | 88.6 | Confident | 91.9 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | trans | -101.8 | -43 | -175.5 | -61.2 | 175.9 | 0 | 0 | 0 | 110.6 | L224 L226 Y285 H303 L304 V307 | I220-L224 HydrophobicContact CB-CD2 4.32Å; I220-L224 HydrophobicContact CB-CG 4.34Å; I220-L224 WeakPolarHBondContact CB-O 3.49Å; I220-L224 HydrophobicContact CD1-CD2 4.16Å; I220-L224 HydrophobicContact CD1-CG 4.26Å; I220-L224 HydrophobicContact CG2-CD2 4.17Å; I220-L224 PolarHBondContact N-O 2.83Å; I220-L226 HydrophobicContact CD1-CB 4.12Å; I220-Y285 HydrophobicContact CG2-CD2 4.18Å; I220-Y285 HydrophobicContact CG2-CE1 4.38Å; I220-Y285 HydrophobicContact CG2-CE2 3.69Å; I220-H303 HydrophobicContact CG2-CB 4.01Å; I220-L304 HydrophobicContact CD1-CD2 4.08Å; I220-V307 HydrophobicContact CD1-CG2 3.76Å; I220-V307 HydrophobicContact CG1-CG2 4.48Å | ||
| 221 | N | 87.9 | Confident | 92 | Very high | 55 Ų | 55 | 18.9 Ų | 18.9 | 29% | 0.294 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -154.1 | -166.5 | 171.8 | 65.9 | 35.8 | 0 | 0 | 0 | 109.6 | D223 L224 | N221-D223 PolarHBondContact O-N 3.39Å; N221-D223 PolarHBondContact OD1-N 3.42Å; N221-L224 PolarHBondContact N-O 3.33Å; N221-L224 VanDerWaalsContact OD1-CB 3.31Å; N221-L224 WeakPolarHBondContact OD1-CB 3.43Å; N221-L224 PolarHBondContact OD1-N 3.07Å |
| 222 | Q | 85.6 | Confident | 92.2 | Very high | 115 Ų | 115 | 18.9 Ų | 18.9 | 54% | 0.537 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -66.6 | -19 | -175.8 | -51.9 | -162.7 | -69.9 | 0 | 0 | 114.5 | I127 E128 R129 | I127-Q222 CarbonylContact C-O 3.57Å; I127-Q222 WeakPolarHBondContact CG2-O 3.3Å; E128-Q222 HydrophobicContact CB-CB 4.14Å; E128-Q222 PolarHBondContact N-O 2.77Å; E128-Q222 WeakPolarHBondContact OE2-CG 3.4Å; E128-Q222 PolarHBondContact OE2-NE2 3Å; R129-Q222 PolarHBondContact N-O 3.29Å |
| 223 | D | 88 | Confident | 92.2 | Very high | 41 Ų | 41 | 20.3 Ų | 20.3 | 22% | 0.219 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -124.5 | -10 | -169.3 | -73.1 | -33.3 | 0 | 0 | 0 | 114.3 | R129 N221 H251 D252 | R129-D223 WeakPolarHBondContact CB-OD1 3.32Å; R129-D223 WeakPolarHBondContact CD-OD1 3.09Å; R129-D223 IonicContact CZ-OD1 2.65Å; R129-D223 IonicContact NE-OD1 3.56Å; R129-D223 PolarHBondContact NE-OD1 3.47Å; R129-D223 IonicContact NE-OD2 3.7Å; R129-D223 IonicContact NH2-OD1 3.86Å; N221-D223 PolarHBondContact O-N 3.39Å; N221-D223 PolarHBondContact OD1-N 3.42Å; D223-H251 VanDerWaalsContact O-CA 3.29Å; D223-H251 WeakPolarHBondContact O-CA 3.2Å; D223-H251 PolarHBondContact O-ND1 3.09Å; D223-D252 PolarHBondContact O-N 2.89Å |
| 224 | L | 90.9 | Very high | 92 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.1 | -171.5 | -178.3 | 68.5 | 0 | 0 | 0 | 110.1 | I220 N221 Y249 I250 H251 I300 H303 | I220-L224 HydrophobicContact CB-CD2 4.32Å; I220-L224 HydrophobicContact CB-CG 4.34Å; I220-L224 WeakPolarHBondContact CB-O 3.49Å; I220-L224 HydrophobicContact CD1-CD2 4.16Å; I220-L224 HydrophobicContact CD1-CG 4.26Å; I220-L224 HydrophobicContact CG2-CD2 4.17Å; I220-L224 PolarHBondContact N-O 2.83Å; N221-L224 PolarHBondContact N-O 3.33Å; N221-L224 VanDerWaalsContact OD1-CB 3.31Å; N221-L224 WeakPolarHBondContact OD1-CB 3.43Å; N221-L224 PolarHBondContact OD1-N 3.07Å; L224-Y249 HydrophobicContact CD1-CD2 3.82Å; L224-I250 WeakPolarHBondContact CA-O 3.08Å; L224-H251 HydrophobicContact CD1-CB 4.14Å; L224-I300 HydrophobicContact CD1-CG2 4.3Å; L224-I300 HydrophobicContact CD2-CG2 4.18Å; L224-H303 HydrophobicContact CD2-CB 4.02Å |
| 225 | S | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.6 | 174.5 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | T126 I250 | T126-S225 PolarHBondContact O-OG 2.95Å; S225-I250 PolarHBondContact N-O 2.86Å; S225-I250 VanDerWaalsContact N-O 3.11Å; S225-I250 PolarHBondContact O-N 2.8Å |
| 226 | L | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.2 | -176.2 | -169.2 | 79.2 | 0 | 0 | 0 | 109.3 | S217 I218 I220 L247 H248 L283 L304 V307 Y329 | S217-L226 CarbonylContact C-O 3.53Å; S217-L226 VanDerWaalsContact CA-O 3.27Å; S217-L226 WeakPolarHBondContact CA-O 2.94Å; I218-L226 HydrophobicContact CG2-CB 4Å; I218-L226 HydrophobicContact CG2-CD2 4.43Å; I218-L226 PolarHBondContact N-O 3.32Å; I218-L226 PolarHBondContact O-N 2.69Å; I220-L226 HydrophobicContact CD1-CB 4.12Å; L226-L247 HydrophobicContact CD1-CD1 4.2Å; L226-L247 HydrophobicContact CD1-CG 4.17Å; L226-L247 HydrophobicContact CD2-CD1 3.92Å; L226-L247 HydrophobicContact CG-CD1 3.94Å; L226-L247 HydrophobicContact CG-CG 4.46Å; L226-H248 VanDerWaalsContact CD1-O 3.25Å; L226-H248 WeakPolarHBondContact CD1-O 3.4Å; L226-L283 HydrophobicContact CD2-CD1 4.48Å; L226-L283 HydrophobicContact CD2-CD2 4.23Å; L226-L304 HydrophobicContact CD1-CD2 4.01Å; L226-V307 HydrophobicContact CD2-CB 4.37Å; L226-V307 HydrophobicContact CD2-CG1 3.69Å; L226-V307 HydrophobicContact CD2-CG2 4.27Å; L226-Y329 HydrophobicContact CD1-CE2 3.91Å |
| 227 | F | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.7 | 175 | 73.6 | -94.6 | 0 | 0 | 0 | 112.2 | F125 L136 L171 L196 Q216 Y229 H248 I250 I255 | F125-F227 HydrophobicContact CE1-CB 4Å; F125-F227 HydrophobicContact CE1-CD1 4.15Å; F125-F227 HydrophobicContact CE1-CG 4.28Å; F125-F227 HydrophobicContact CZ-CB 4.46Å; F125-F227 AromaticContact CZ-CD1 3.83Å; F125-F227 HydrophobicContact CZ-CD1 3.83Å; F125-F227 HydrophobicContact CZ-CG 4.42Å; L136-F227 HydrophobicContact CD1-CD2 4.21Å; L136-F227 HydrophobicContact CD1-CE2 4.18Å; L136-F227 HydrophobicContact CD2-CB 4.13Å; L136-F227 HydrophobicContact CD2-CD2 3.53Å; L136-F227 HydrophobicContact CD2-CE2 4.3Å; L136-F227 HydrophobicContact CD2-CG 4.16Å; L136-F227 HydrophobicContact CG-CD2 4.49Å; L171-F227 HydrophobicContact CD2-CE1 4.29Å; L171-F227 HydrophobicContact CD2-CZ 4.21Å; L196-F227 HydrophobicContact CD1-CE2 3.53Å; L196-F227 HydrophobicContact CD1-CZ 3.89Å; Q216-F227 CarbonylContact O-C 3.57Å; Q216-F227 WeakPolarHBondContact O-CA 3.4Å; F227-Y229 HydrophobicContact CD2-CD1 4.35Å; F227-Y229 HydrophobicContact CE2-CD1 4.25Å; F227-Y229 HydrophobicContact CE2-CE1 4.02Å; F227-H248 HydrophobicContact CD1-CB 3.97Å; F227-H248 HydrophobicContact CD2-CB 4.06Å; F227-H248 HydrophobicContact CE1-CB 3.46Å; F227-H248 VanDerWaalsContact CE1-CB 3.46Å; F227-H248 HydrophobicContact CE2-CB 3.59Å; F227-H248 AromaticContact CE2-CD2 3.68Å; F227-H248 AromaticContact CE2-CG 3.63Å; F227-H248 HydrophobicContact CG-CB 4.25Å; F227-H248 HydrophobicContact CZ-CB 3.27Å; F227-H248 AromaticContact CZ-CG 3.49Å; F227-H248 VanDerWaalsContact CZ-CG 3.49Å; F227-H248 AromaticContact CZ-ND1 3.83Å; F227-H248 PolarHBondContact N-O 3.25Å; F227-H248 PolarHBondContact O-N 2.71Å; F227-H248 VanDerWaalsContact O-O 3.07Å; F227-I250 HydrophobicContact CD1-CD1 4.11Å; F227-I250 HydrophobicContact CD1-CG1 3.94Å; F227-I250 HydrophobicContact CE1-CD1 3.71Å; F227-I250 HydrophobicContact CE1-CG1 3.58Å; F227-I255 HydrophobicContact CE1-CG2 4.44Å; F227-I255 HydrophobicContact CZ-CG2 4.34Å |
| 228 | L | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 145.8 | -172.6 | 179.1 | 63.1 | 0 | 0 | 0 | 109.8 | S215 Q216 C245 F246 L247 I281 L283 L309 | S215-L228 CarbonylContact C-O 3.55Å; S215-L228 WeakPolarHBondContact CA-O 3.35Å; Q216-L228 PolarHBondContact N-O 3.41Å; Q216-L228 PolarHBondContact O-N 3.14Å; L228-C245 HydrophobicContact CD1-CB 3.69Å; L228-C245 HydrophobicContact CG-CB 4.48Å; L228-F246 WeakPolarHBondContact CA-O 3.41Å; L228-F246 VanDerWaalsContact CD1-C 3.44Å; L228-F246 WeakPolarHBondContact CD1-O 3.47Å; L228-L247 HydrophobicContact CB-CD1 3.88Å; L228-L247 HydrophobicContact CD1-CB 3.99Å; L228-L247 HydrophobicContact CD1-CD1 3.93Å; L228-L247 HydrophobicContact CD2-CD1 4.48Å; L228-L247 HydrophobicContact CG-CD1 4.33Å; L228-I281 HydrophobicContact CB-CD1 4.24Å; L228-I281 HydrophobicContact CD2-CB 4.29Å; L228-I281 HydrophobicContact CD2-CD1 3.73Å; L228-I281 HydrophobicContact CD2-CG2 4.12Å; L228-I281 HydrophobicContact CG-CD1 3.82Å; L228-L283 HydrophobicContact CB-CD1 4.38Å; L228-L309 HydrophobicContact CD2-CD1 3.18Å; L228-L309 HydrophobicContact CD2-CD2 3.58Å; L228-L309 HydrophobicContact CD2-CG 4.01Å |
| 229 | Y | 95 | Very high | 87.6 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.7 | 166 | 54.1 | -89 | 0 | 0 | 0 | 111.1 | L136 M169 L196 L211 T214 F227 C245 F246 H248 | L136-Y229 HydrophobicContact CD2-CD1 4.46Å; M169-Y229 HydrophobicContact CB-CE2 4.46Å; M169-Y229 HydrophobicContact CE-CD1 3.88Å; M169-Y229 HydrophobicContact CE-CD2 4.32Å; M169-Y229 HydrophobicContact CE-CG 3.66Å; M169-Y229 HydrophobicContact CG-CD1 4.43Å; M169-Y229 HydrophobicContact CG-CD2 3.53Å; M169-Y229 HydrophobicContact CG-CE2 3.77Å; M169-Y229 HydrophobicContact CG-CG 3.89Å; M169-Y229 HydrophobicContact SD-CD2 3.97Å; M169-Y229 HydrophobicContact SD-CG 3.86Å; L196-Y229 HydrophobicContact CD1-CD1 4.48Å; L196-Y229 HydrophobicContact CD1-CE1 3.83Å; L211-Y229 HydrophobicContact CD1-CD2 3.7Å; L211-Y229 HydrophobicContact CD1-CE2 3.83Å; L211-Y229 HydrophobicContact CD2-CD2 4.47Å; L211-Y229 HydrophobicContact CD2-CE2 4.15Å; L211-Y229 HydrophobicContact CG-CD2 4.04Å; L211-Y229 HydrophobicContact CG-CE2 4.19Å; T214-Y229 VanDerWaalsContact O-CA 3.27Å; T214-Y229 WeakPolarHBondContact O-CA 3.34Å; F227-Y229 HydrophobicContact CD2-CD1 4.35Å; F227-Y229 HydrophobicContact CE2-CD1 4.25Å; F227-Y229 HydrophobicContact CE2-CE1 4.02Å; Y229-C245 CarbonylContact O-C 3.14Å; Y229-C245 WeakPolarHBondContact O-CA 3.46Å; Y229-F246 HydrophobicContact CD2-CB 4.1Å; Y229-F246 AromaticContact CD2-CD2 3.94Å; Y229-F246 HydrophobicContact CD2-CD2 3.94Å; Y229-F246 HydrophobicContact CD2-CG 4.43Å; Y229-F246 HydrophobicContact CE1-CB 4.08Å; Y229-F246 HydrophobicContact CE2-CB 3.56Å; Y229-F246 AromaticContact CE2-CD2 3.49Å; Y229-F246 HydrophobicContact CE2-CD2 3.49Å; Y229-F246 VanDerWaalsContact CE2-CD2 3.49Å; Y229-F246 HydrophobicContact CE2-CE2 4.43Å; Y229-F246 AromaticContact CE2-CG 3.74Å; Y229-F246 HydrophobicContact CE2-CG 3.74Å; Y229-F246 PolarHBondContact N-O 2.97Å; Y229-F246 PolarHBondContact O-N 3.23Å; Y229-H248 AromaticContact CE1-CD2 3.57Å; Y229-H248 AromaticContact CE1-NE2 3.38Å; Y229-H248 WeakPolarHBondContact CE1-NE2 3.41Å; Y229-H248 AromaticContact CZ-NE2 3.53Å; Y229-H248 PolarHBondContact OH-NE2 2.78Å |
| 230 | C | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.6 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | G212 A213 T214 R244 C245 I281 | G212-C230 PolarHBondContact N-O 2.9Å; A213-C230 PolarHBondContact N-O 3.39Å; T214-C230 PolarHBondContact O-N 3.05Å; T214-C230 VanDerWaalsContact O-N 3.11Å; C230-R244 CarbonylContact C-O 3.14Å; C230-R244 VanDerWaalsContact CA-O 3.27Å; C230-R244 WeakPolarHBondContact CA-O 3.37Å; C230-R244 WeakPolarHBondContact CB-O 3.38Å; C230-C245 HydrophobicContact CB-CB 4.03Å; C230-C245 WeakPolarHBondContact CB-SG 3.48Å; C230-C245 WeakPolarHBondContact SG-CB 3.36Å; C230-C245 CovalentContact SG-SG 2.04Å; C230-C245 PolarHBondContact SG-SG 3.18Å; C230-I281 VanDerWaalsContact SG-CG2 3.6Å |
| 231 | D | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 93.7 | 167 | -175 | -14.7 | 0 | 0 | 0 | 108.6 | H208 E209 F210 L211 L233 W234 G243 R244 | H208-D231 WeakPolarHBondContact CA-OD2 3.49Å; E209-D231 PolarHBondContact N-OD2 3.01Å; F210-D231 WeakPolarHBondContact CA-OD1 3.32Å; F210-D231 PolarHBondContact N-OD1 2.98Å; F210-D231 PolarHBondContact N-OD2 2.97Å; F210-D231 WeakPolarHBondContact O-CA 3.06Å; L211-D231 HydrophobicContact CB-CB 4.14Å; L211-D231 HydrophobicContact CD1-CB 3.83Å; D231-L233 PolarHBondContact O-N 2.98Å; D231-L233 PolarHBondContact OD1-N 3.32Å; D231-L233 VanDerWaalsContact OD1-N 3.09Å; D231-W234 HydrophobicContact CB-CB 4.25Å; D231-W234 PolarHBondContact O-N 3.44Å; D231-W234 PolarHBondContact OD1-N 2.77Å; D231-W234 VanDerWaalsContact OD1-N 3.16Å; D231-G243 CarbonylContact O-C 3.54Å; D231-G243 WeakPolarHBondContact O-CA 3.16Å; D231-R244 HydrophobicContact CB-CG 4.21Å; D231-R244 PolarHBondContact N-O 2.85Å; D231-R244 PolarHBondContact O-N 2.86Å |
| 232 | P | 92.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8.2 | -178 | 30.2 | -35.2 | 0 | 0 | 0 | 113.6 | F210 A213 A276 H279 | F210-P232 HydrophobicContact CD1-CG 4.11Å; F210-P232 WeakPolarHBondContact O-CD 3.2Å; A213-P232 HydrophobicContact CB-CG 3.53Å; P232-A276 HydrophobicContact CB-CB 4.15Å; P232-A276 WeakPolarHBondContact O-CA 3.17Å; P232-H279 HydrophobicContact CB-CB 4.35Å |
| 233 | L | 89.9 | Confident | 87.1 | Confident | 30 Ų | 30 | 28.3 Ų | 28.3 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.2 | 176.8 | -66.9 | -168.7 | 0 | 0 | 0 | 113.5 | P163 E209 F210 D231 R235 P241 | P163-L233 HydrophobicContact CG-CD1 3.78Å; E209-L233 HydrophobicContact CB-CB 3.63Å; F210-L233 HydrophobicContact CB-CB 3.96Å; F210-L233 HydrophobicContact CB-CD1 3.85Å; F210-L233 HydrophobicContact CB-CG 3.81Å; F210-L233 HydrophobicContact CD1-CD1 4.21Å; F210-L233 HydrophobicContact CD1-CG 4.18Å; F210-L233 HydrophobicContact CG-CD1 4.46Å; D231-L233 PolarHBondContact O-N 2.98Å; D231-L233 PolarHBondContact OD1-N 3.32Å; D231-L233 VanDerWaalsContact OD1-N 3.09Å; L233-R235 WeakPolarHBondContact O-CG 3.32Å; L233-R235 PolarHBondContact O-N 2.98Å; L233-P241 HydrophobicContact CD2-CB 4.27Å; L233-P241 HydrophobicContact CD2-CG 4.31Å; L233-P241 WeakPolarHBondContact O-CB 3.3Å |
| 234 | W | 88.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 27.4 Ų | 27.4 | 13% | 0.133 | 15% | 0.145 | C | C | . | . | trans | -56.9 | 137.5 | 174.8 | -177.2 | 69.9 | 0 | 0 | 0 | 112.7 | D207 D231 A236 V242 G243 R244 A262 | D207-W234 VanDerWaalsContact O-CD1 3.3Å; D231-W234 HydrophobicContact CB-CB 4.25Å; D231-W234 PolarHBondContact O-N 3.44Å; D231-W234 PolarHBondContact OD1-N 2.77Å; D231-W234 VanDerWaalsContact OD1-N 3.16Å; W234-A236 HydrophobicContact CE3-CB 4.15Å; W234-A236 HydrophobicContact CH2-CB 3.46Å; W234-A236 VanDerWaalsContact CH2-CB 3.46Å; W234-A236 HydrophobicContact CZ2-CB 4Å; W234-A236 HydrophobicContact CZ3-CB 3.54Å; W234-V242 HydrophobicContact CE3-CG2 3.81Å; W234-V242 HydrophobicContact CZ3-CG2 3.97Å; W234-V242 WeakPolarHBondContact O-CG2 3.41Å; W234-V242 PolarHBondContact O-N 3.32Å; W234-G243 PolarHBondContact O-N 3.3Å; W234-R244 HydrophobicContact CB-CG 3.79Å; W234-R244 VanDerWaalsContact CD1-CZ 3.48Å; W234-R244 VanDerWaalsContact CD1-NE 3.33Å; W234-R244 HydrophobicContact CD2-CB 4.1Å; W234-R244 HydrophobicContact CD2-CG 3.77Å; W234-R244 HydrophobicContact CE3-CB 3.62Å; W234-R244 HydrophobicContact CE3-CG 3.83Å; W234-R244 HydrophobicContact CG-CG 3.78Å; W234-R244 VanDerWaalsContact CG-NE 3.32Å; W234-R244 HydrophobicContact CZ3-CB 4.08Å; W234-A262 HydrophobicContact CH2-CB 3.63Å; W234-A262 HydrophobicContact CZ3-CB 3.52Å | ||
| 235 | R | 81 | Confident | 87.4 | Confident | 47 Ų | 47 | 27.3 Ų | 27.3 | 18% | 0.177 | 15% | 0.145 | C | C | . | . | trans | -108.2 | -10.9 | -165.4 | -55.3 | -171.1 | -170.2 | -137.9 | 0.1 | 116.5 | S162 E209 L233 N237 S238 I239 | S162-R235 PolarHBondContact OG-NH2 3.22Å; E209-R235 WeakPolarHBondContact OE1-CD 3.18Å; E209-R235 WeakPolarHBondContact OE1-CG 3.4Å; E209-R235 IonicContact OE1-CZ 2.76Å; E209-R235 IonicContact OE1-NE 3.39Å; E209-R235 PolarHBondContact OE1-NE 2.74Å; E209-R235 IonicContact OE1-NH2 3.37Å; E209-R235 IonicContact OE2-CZ 3.83Å; E209-R235 IonicContact OE2-NE 2.82Å; E209-R235 PolarHBondContact OE2-NE 3.06Å; E209-R235 IonicContact OE2-NH2 3.73Å; E209-R235 PolarHBondContact OE2-NH2 2.78Å; L233-R235 WeakPolarHBondContact O-CG 3.32Å; L233-R235 PolarHBondContact O-N 2.98Å; R235-N237 VanDerWaalsContact C-N 3.26Å; R235-N237 PolarHBondContact O-N 3.12Å; R235-S238 WeakPolarHBondContact CB-O 3.23Å; R235-S238 WeakPolarHBondContact CD-O 3.49Å; R235-S238 WeakPolarHBondContact O-CA 3.4Å; R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 3.38Å; R235-I239 PolarHBondContact NH1-O 3.28Å | ||
| 236 | A | 76.4 | Confident | 87.4 | Confident | 25 Ų | 25 | 27.7 Ų | 27.7 | 21% | 0.207 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W234 S238 V242 | W234-A236 HydrophobicContact CE3-CB 4.15Å; W234-A236 HydrophobicContact CH2-CB 3.46Å; W234-A236 VanDerWaalsContact CH2-CB 3.46Å; W234-A236 HydrophobicContact CZ2-CB 4Å; W234-A236 HydrophobicContact CZ3-CB 3.54Å; A236-S238 PolarHBondContact O-N 2.84Å; A236-V242 HydrophobicContact CB-CG2 3.74Å |
| 237 | N | 72.7 | Confident | 87.4 | Confident | 169 Ų | 169 | 27.7 Ų | 27.7 | 90% | 0.904 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 12.9 | -171.6 | -52.8 | -49.1 | 0 | 0 | 0 | 115.8 | R235 | R235-N237 VanDerWaalsContact C-N 3.26Å; R235-N237 PolarHBondContact O-N 3.12Å |
| 238 | S | 75.2 | Confident | 87.3 | Confident | 27 Ų | 27 | 28 Ų | 28 | 19% | 0.189 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -83.5 | 164.5 | 171.3 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | R235 A236 V240 V271 | R235-S238 WeakPolarHBondContact CB-O 3.23Å; R235-S238 WeakPolarHBondContact CD-O 3.49Å; R235-S238 WeakPolarHBondContact O-CA 3.4Å; R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 3.38Å; A236-S238 PolarHBondContact O-N 2.84Å; S238-V240 VanDerWaalsContact C-N 3.32Å; S238-V240 WeakPolarHBondContact CB-O 3.46Å; S238-V240 WeakPolarHBondContact OG-CG2 3.35Å; S238-V240 PolarHBondContact OG-N 2.84Å; S238-V240 VanDerWaalsContact OG-N 3.14Å; S238-V240 PolarHBondContact OG-O 2.9Å; S238-V271 WeakPolarHBondContact OG-CB 3.41Å; S238-V271 WeakPolarHBondContact OG-CG1 3.4Å |
| 239 | I | 73.8 | Confident | 87.2 | Confident | 150 Ų | 150 | 30.3 Ų | 30.3 | 77% | 0.769 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -75.3 | -25.8 | 167.4 | -57.6 | 170.1 | 0 | 0 | 0 | 110.5 | R235 | R235-I239 PolarHBondContact NH1-O 3.28Š|
| 240 | V | 79.9 | Confident | 87.1 | Confident | 39 Ų | 39 | 30 Ų | 30 | 24% | 0.236 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -115 | 142.8 | -175.5 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | S238 V242 V271 P274 | S238-V240 VanDerWaalsContact C-N 3.32Å; S238-V240 WeakPolarHBondContact CB-O 3.46Å; S238-V240 WeakPolarHBondContact OG-CG2 3.35Å; S238-V240 PolarHBondContact OG-N 2.84Å; S238-V240 VanDerWaalsContact OG-N 3.14Å; S238-V240 PolarHBondContact OG-O 2.9Å; V240-V242 PolarHBondContact O-N 3.1Å; V240-V271 HydrophobicContact CG2-CG1 3.62Å; V240-P274 HydrophobicContact CB-CB 4.11Å |
| 241 | P | 85 | Confident | 86.8 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | trans | -71 | 126.7 | -176.1 | 27.9 | -36.6 | 0 | 0 | 0 | 113.5 | L233 P274 C275 | L233-P241 HydrophobicContact CD2-CB 4.27Å; L233-P241 HydrophobicContact CD2-CG 4.31Å; L233-P241 WeakPolarHBondContact O-CB 3.3Å; P241-P274 HydrophobicContact CG-CB 4.1Å; P241-P274 VanDerWaalsContact O-CA 3.32Å; P241-P274 WeakPolarHBondContact O-CA 3.24Å; P241-C275 PolarHBondContact O-N 2.72Å; P241-C275 VanDerWaalsContact O-N 3.08Å | ||
| 242 | V | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -95.7 | -34.2 | 171.8 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | W234 A236 V240 V271 C275 A277 | W234-V242 HydrophobicContact CE3-CG2 3.81Å; W234-V242 HydrophobicContact CZ3-CG2 3.97Å; W234-V242 WeakPolarHBondContact O-CG2 3.41Å; W234-V242 PolarHBondContact O-N 3.32Å; A236-V242 HydrophobicContact CB-CG2 3.74Å; V240-V242 PolarHBondContact O-N 3.1Å; V242-V271 HydrophobicContact CG1-CB 4.12Å; V242-V271 HydrophobicContact CG1-CG1 3.4Å; V242-V271 HydrophobicContact CG1-CG2 3.52Å; V242-C275 PolarHBondContact O-SG 2.9Å; V242-A277 WeakPolarHBondContact O-CB 3.28Å; V242-A277 PolarHBondContact O-N 2.95Å | ||
| 243 | G | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 84.7 | 157.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D231 W234 F264 A277 | D231-G243 CarbonylContact O-C 3.54Å; D231-G243 WeakPolarHBondContact O-CA 3.16Å; W234-G243 PolarHBondContact O-N 3.3Å; G243-F264 WeakPolarHBondContact O-CD2 3.41Å; G243-A277 WeakPolarHBondContact CA-O 3.15Å | ||
| 244 | R | 91.5 | Very high | 86 | Confident | 21 Ų | 21 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 164.1 | 172 | 61.5 | 173.9 | 163.9 | 177.8 | -7.2 | 111.9 | D207 H208 C230 D231 W234 F246 E260 L261 A262 | D207-R244 PolarHBondContact O-NH2 2.88Å; H208-R244 PolarHBondContact CE1-NH2 2.84Å; H208-R244 PolarHBondContact ND1-NH2 2.96Å; C230-R244 CarbonylContact C-O 3.14Å; C230-R244 VanDerWaalsContact CA-O 3.27Å; C230-R244 WeakPolarHBondContact CA-O 3.37Å; C230-R244 WeakPolarHBondContact CB-O 3.38Å; D231-R244 HydrophobicContact CB-CG 4.21Å; D231-R244 PolarHBondContact N-O 2.85Å; D231-R244 PolarHBondContact O-N 2.86Å; W234-R244 HydrophobicContact CB-CG 3.79Å; W234-R244 VanDerWaalsContact CD1-CZ 3.48Å; W234-R244 VanDerWaalsContact CD1-NE 3.33Å; W234-R244 HydrophobicContact CD2-CB 4.1Å; W234-R244 HydrophobicContact CD2-CG 3.77Å; W234-R244 HydrophobicContact CE3-CB 3.62Å; W234-R244 HydrophobicContact CE3-CG 3.83Å; W234-R244 HydrophobicContact CG-CG 3.78Å; W234-R244 VanDerWaalsContact CG-NE 3.32Å; W234-R244 HydrophobicContact CZ3-CB 4.08Å; R244-F246 HydrophobicContact CG-CE2 4.19Å; R244-E260 WeakPolarHBondContact CD-OE1 3.35Å; R244-E260 IonicContact CZ-OE1 2.8Å; R244-E260 IonicContact NE-OE1 2.84Å; R244-E260 IonicContact NH1-OE1 3.72Å; R244-E260 PolarHBondContact NH1-OE1 3.48Å; R244-L261 CarbonylContact C-O 3.49Å; R244-L261 VanDerWaalsContact CA-O 3.22Å; R244-L261 WeakPolarHBondContact CA-O 3.44Å; R244-L261 WeakPolarHBondContact CB-O 3.39Å; R244-A262 HydrophobicContact CB-CB 4.15Å |
| 245 | C | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.9 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | L228 Y229 C230 L261 | L228-C245 HydrophobicContact CD1-CB 3.69Å; L228-C245 HydrophobicContact CG-CB 4.48Å; Y229-C245 CarbonylContact O-C 3.14Å; Y229-C245 WeakPolarHBondContact O-CA 3.46Å; C230-C245 HydrophobicContact CB-CB 4.03Å; C230-C245 WeakPolarHBondContact CB-SG 3.48Å; C230-C245 WeakPolarHBondContact SG-CB 3.36Å; C230-C245 CovalentContact SG-SG 2.04Å; C230-C245 PolarHBondContact SG-SG 3.18Å; C245-L261 HydrophobicContact CB-CB 4.44Å; C245-L261 PolarHBondContact N-O 2.96Å; C245-L261 PolarHBondContact O-N 3.01Å |
| 246 | F | 93 | Very high | 86.2 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 113.3 | -179.6 | -63 | -85.9 | 0 | 0 | 0 | 110.8 | L211 L228 Y229 R244 Y258 I259 E260 | L211-F246 HydrophobicContact CD1-CD2 3.72Å; L211-F246 HydrophobicContact CD1-CE2 3.56Å; L228-F246 WeakPolarHBondContact CA-O 3.41Å; L228-F246 VanDerWaalsContact CD1-C 3.44Å; L228-F246 WeakPolarHBondContact CD1-O 3.47Å; Y229-F246 HydrophobicContact CD2-CB 4.1Å; Y229-F246 AromaticContact CD2-CD2 3.94Å; Y229-F246 HydrophobicContact CD2-CD2 3.94Å; Y229-F246 HydrophobicContact CD2-CG 4.43Å; Y229-F246 HydrophobicContact CE1-CB 4.08Å; Y229-F246 HydrophobicContact CE2-CB 3.56Å; Y229-F246 AromaticContact CE2-CD2 3.49Å; Y229-F246 HydrophobicContact CE2-CD2 3.49Å; Y229-F246 VanDerWaalsContact CE2-CD2 3.49Å; Y229-F246 HydrophobicContact CE2-CE2 4.43Å; Y229-F246 AromaticContact CE2-CG 3.74Å; Y229-F246 HydrophobicContact CE2-CG 3.74Å; Y229-F246 PolarHBondContact N-O 2.97Å; Y229-F246 PolarHBondContact O-N 3.23Å; R244-F246 HydrophobicContact CG-CE2 4.19Å; F246-Y258 AromaticContact CD1-CD2 3.65Å; F246-Y258 HydrophobicContact CD1-CD2 3.65Å; F246-Y258 AromaticContact CD1-CE2 3.61Å; F246-Y258 HydrophobicContact CD1-CE2 3.61Å; F246-Y258 HydrophobicContact CD1-CG 4.38Å; F246-Y258 HydrophobicContact CE1-CD2 4.34Å; F246-Y258 AromaticContact CE1-CE2 3.83Å; F246-Y258 HydrophobicContact CE1-CE2 3.83Å; F246-I259 WeakPolarHBondContact CA-O 3.2Å; F246-E260 HydrophobicContact CD1-CB 4.2Å; F246-E260 HydrophobicContact CD1-CG 4.22Å; F246-E260 HydrophobicContact CE1-CB 4.08Å; F246-E260 HydrophobicContact CE1-CG 3.74Å; F246-E260 HydrophobicContact CZ-CG 4.27Å |
| 247 | L | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.3 | -176.6 | -171 | 71.3 | 0 | 0 | 0 | 111.2 | L226 L228 Y258 I259 L328 Y329 | L226-L247 HydrophobicContact CD1-CD1 4.2Å; L226-L247 HydrophobicContact CD1-CG 4.17Å; L226-L247 HydrophobicContact CD2-CD1 3.92Å; L226-L247 HydrophobicContact CG-CD1 3.94Å; L226-L247 HydrophobicContact CG-CG 4.46Å; L228-L247 HydrophobicContact CB-CD1 3.88Å; L228-L247 HydrophobicContact CD1-CB 3.99Å; L228-L247 HydrophobicContact CD1-CD1 3.93Å; L228-L247 HydrophobicContact CD2-CD1 4.48Å; L228-L247 HydrophobicContact CG-CD1 4.33Å; L247-Y258 CarbonylContact O-C 3.55Å; L247-Y258 VanDerWaalsContact O-CA 3.22Å; L247-Y258 WeakPolarHBondContact O-CA 3.4Å; L247-I259 PolarHBondContact N-O 3.15Å; L247-I259 PolarHBondContact O-N 2.96Å; L247-L328 HydrophobicContact CD2-CB 3.84Å; L247-L328 HydrophobicContact CD2-CD1 3.68Å; L247-L328 HydrophobicContact CD2-CG 4.27Å; L247-Y329 HydrophobicContact CD2-CE2 3.63Å; L247-Y329 HydrophobicContact CG-CE2 4.32Å; L247-Y329 PolarHBondContact O-OH 3.33Å |
| 248 | H | 93 | Very high | 86.8 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145 | 179.4 | -66.6 | -115.1 | 0 | 0 | 0 | 110.3 | L226 F227 Y229 Y258 | L226-H248 VanDerWaalsContact CD1-O 3.25Å; L226-H248 WeakPolarHBondContact CD1-O 3.4Å; F227-H248 HydrophobicContact CD1-CB 3.97Å; F227-H248 HydrophobicContact CD2-CB 4.06Å; F227-H248 HydrophobicContact CE1-CB 3.46Å; F227-H248 VanDerWaalsContact CE1-CB 3.46Å; F227-H248 HydrophobicContact CE2-CB 3.59Å; F227-H248 AromaticContact CE2-CD2 3.68Å; F227-H248 AromaticContact CE2-CG 3.63Å; F227-H248 HydrophobicContact CG-CB 4.25Å; F227-H248 HydrophobicContact CZ-CB 3.27Å; F227-H248 AromaticContact CZ-CG 3.49Å; F227-H248 VanDerWaalsContact CZ-CG 3.49Å; F227-H248 AromaticContact CZ-ND1 3.83Å; F227-H248 PolarHBondContact N-O 3.25Å; F227-H248 PolarHBondContact O-N 2.71Å; F227-H248 VanDerWaalsContact O-O 3.07Å; Y229-H248 AromaticContact CE1-CD2 3.57Å; Y229-H248 AromaticContact CE1-NE2 3.38Å; Y229-H248 WeakPolarHBondContact CE1-NE2 3.41Å; Y229-H248 AromaticContact CZ-NE2 3.53Å; Y229-H248 PolarHBondContact OH-NE2 2.78Å; H248-Y258 AromaticContact CE1-CD1 3.97Å |
| 249 | Y | 92.3 | Very high | 87.4 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.7 | 163.4 | 71.1 | -77.3 | 0 | 0 | 0 | 110 | L224 H251 Q256 I300 Y329 | L224-Y249 HydrophobicContact CD1-CD2 3.82Å; Y249-H251 HydrophobicContact CD2-CB 4.44Å; Y249-Q256 HydrophobicContact CD1-CB 3.91Å; Y249-Q256 HydrophobicContact CD2-CB 4.26Å; Y249-Q256 HydrophobicContact CD2-CG 4.05Å; Y249-Q256 HydrophobicContact CE1-CB 3.47Å; Y249-Q256 VanDerWaalsContact CE1-CB 3.47Å; Y249-Q256 HydrophobicContact CE1-CG 4.09Å; Y249-Q256 HydrophobicContact CE2-CB 3.88Å; Y249-Q256 HydrophobicContact CE2-CG 3.52Å; Y249-Q256 HydrophobicContact CG-CB 4.28Å; Y249-Q256 VanDerWaalsContact CZ-CB 3.45Å; Y249-Q256 PolarHBondContact O-N 3.31Å; Y249-I300 HydrophobicContact CE2-CG2 4.34Å; Y249-Y329 HydrophobicContact CD1-CD1 4.5Å; Y249-Y329 AromaticContact CD1-CE1 3.63Å; Y249-Y329 HydrophobicContact CD1-CE1 3.63Å; Y249-Y329 AromaticContact CD1-CZ 3.75Å; Y249-Y329 HydrophobicContact CE1-CD1 4.4Å; Y249-Y329 AromaticContact CE1-CE1 3.84Å; Y249-Y329 HydrophobicContact CE1-CE1 3.84Å |
| 250 | I | 92.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126 | 168.9 | -50.3 | -167 | 0 | 0 | 0 | 107.1 | F125 I127 Y134 L171 L224 S225 F227 V254 I255 | F125-I250 HydrophobicContact CE2-CD1 3.84Å; F125-I250 HydrophobicContact CE2-CG1 4.43Å; F125-I250 HydrophobicContact CZ-CD1 3.66Å; F125-I250 HydrophobicContact CZ-CG1 4.41Å; I127-I250 HydrophobicContact CD1-CB 4.13Å; I127-I250 HydrophobicContact CD1-CG2 3.55Å; Y134-I250 HydrophobicContact CD1-CD1 4.07Å; Y134-I250 HydrophobicContact CE1-CD1 3.82Å; L171-I250 HydrophobicContact CD2-CD1 4.03Å; L224-I250 WeakPolarHBondContact CA-O 3.08Å; S225-I250 PolarHBondContact N-O 2.86Å; S225-I250 VanDerWaalsContact N-O 3.11Å; S225-I250 PolarHBondContact O-N 2.8Å; F227-I250 HydrophobicContact CD1-CD1 4.11Å; F227-I250 HydrophobicContact CD1-CG1 3.94Å; F227-I250 HydrophobicContact CE1-CD1 3.71Å; F227-I250 HydrophobicContact CE1-CG1 3.58Å; I250-V254 WeakPolarHBondContact CA-O 3.39Å; I250-I255 HydrophobicContact CD1-CG1 3.74Å; I250-I255 HydrophobicContact CG1-CG1 3.92Å |
| 251 | H | 90.3 | Very high | 88.5 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.5 | 169.3 | -177 | 35.1 | 0 | 0 | 0 | 108.9 | D223 L224 Y249 G253 V254 I300 | D223-H251 VanDerWaalsContact O-CA 3.29Å; D223-H251 WeakPolarHBondContact O-CA 3.2Å; D223-H251 PolarHBondContact O-ND1 3.09Å; L224-H251 HydrophobicContact CD1-CB 4.14Å; Y249-H251 HydrophobicContact CD2-CB 4.44Å; H251-G253 PolarHBondContact O-N 3.26Å; H251-G253 VanDerWaalsContact O-N 3.12Å; H251-V254 PolarHBondContact N-O 3.49Å; H251-V254 VanDerWaalsContact N-O 3.1Å; H251-V254 PolarHBondContact O-N 2.78Å; H251-I300 VanDerWaalsContact CD2-CD1 3.46Å; H251-I300 WeakPolarHBondContact CD2-CD1 3.48Å |
| 252 | D | 84.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 36.6 Ų | 36.6 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.5 | 178.5 | -73 | -3.6 | 0 | 0 | 0 | 113.6 | R129 D223 V254 | R129-D252 IonicContact CZ-OD1 3.43Å; R129-D252 IonicContact NE-OD1 2.69Å; R129-D252 IonicContact NH2-OD1 3.6Å; R129-D252 PolarHBondContact NH2-OD1 3.44Å; R129-D252 IonicContact NH2-OD2 3.56Å; R129-D252 PolarHBondContact NH2-OD2 2.9Å; R129-D252 VanDerWaalsContact NH2-OD2 3.15Å; D223-D252 PolarHBondContact O-N 2.89Å; D252-V254 PolarHBondContact O-N 2.8Å |
| 253 | G | 84.4 | Confident | 87.8 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -1.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y134 H251 | Y134-G253 WeakPolarHBondContact OH-CA 3.24Å; Y134-G253 PolarHBondContact OH-O 2.04Å; H251-G253 PolarHBondContact O-N 3.26Å; H251-G253 VanDerWaalsContact O-N 3.12Å |
| 254 | V | 89 | Confident | 87.2 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.5 | 176 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | I250 H251 D252 | I250-V254 WeakPolarHBondContact CA-O 3.39Å; H251-V254 PolarHBondContact N-O 3.49Å; H251-V254 VanDerWaalsContact N-O 3.1Å; H251-V254 PolarHBondContact O-N 2.78Å; D252-V254 PolarHBondContact O-N 2.8Å |
| 255 | I | 87.3 | Confident | 86.5 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 28% | 0.277 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.5 | 174.4 | -54.7 | 158.3 | 0 | 0 | 0 | 108.1 | L171 I194 L196 F227 I250 | L171-I255 HydrophobicContact CD2-CD1 3.53Å; L171-I255 HydrophobicContact CD2-CG1 4.18Å; I194-I255 HydrophobicContact CD1-CD1 3.53Å; L196-I255 HydrophobicContact CD2-CD1 4.42Å; F227-I255 HydrophobicContact CE1-CG2 4.44Å; F227-I255 HydrophobicContact CZ-CG2 4.34Å; I250-I255 HydrophobicContact CD1-CG1 3.74Å; I250-I255 HydrophobicContact CG1-CG1 3.92Å |
| 256 | Q | 85.2 | Confident | 85.6 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -94.5 | 173.3 | -179.2 | -63.1 | -65.1 | -25.2 | 0 | 0 | 111.5 | Y249 Y258 | Y249-Q256 HydrophobicContact CD1-CB 3.91Å; Y249-Q256 HydrophobicContact CD2-CB 4.26Å; Y249-Q256 HydrophobicContact CD2-CG 4.05Å; Y249-Q256 HydrophobicContact CE1-CB 3.47Å; Y249-Q256 VanDerWaalsContact CE1-CB 3.47Å; Y249-Q256 HydrophobicContact CE1-CG 4.09Å; Y249-Q256 HydrophobicContact CE2-CB 3.88Å; Y249-Q256 HydrophobicContact CE2-CG 3.52Å; Y249-Q256 HydrophobicContact CG-CB 4.28Å; Y249-Q256 VanDerWaalsContact CZ-CB 3.45Å; Y249-Q256 PolarHBondContact O-N 3.31Å; Q256-Y258 PolarHBondContact O-N 2.93Å |
| 257 | S | 77.8 | Confident | 84.4 | Confident | 95 Ų | 95 | 49.9 Ų | 49.9 | 66% | 0.664 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 136.1 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 112 | ||
| 258 | Y | 83.7 | Confident | 83.1 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 158.7 | -180 | 65.6 | -99.1 | 0 | 0 | 0 | 113.4 | F246 L247 H248 Q256 E260 | F246-Y258 AromaticContact CD1-CD2 3.65Å; F246-Y258 HydrophobicContact CD1-CD2 3.65Å; F246-Y258 AromaticContact CD1-CE2 3.61Å; F246-Y258 HydrophobicContact CD1-CE2 3.61Å; F246-Y258 HydrophobicContact CD1-CG 4.38Å; F246-Y258 HydrophobicContact CE1-CD2 4.34Å; F246-Y258 AromaticContact CE1-CE2 3.83Å; F246-Y258 HydrophobicContact CE1-CE2 3.83Å; L247-Y258 CarbonylContact O-C 3.55Å; L247-Y258 VanDerWaalsContact O-CA 3.22Å; L247-Y258 WeakPolarHBondContact O-CA 3.4Å; H248-Y258 AromaticContact CE1-CD1 3.97Å; Q256-Y258 PolarHBondContact O-N 2.93Å; Y258-E260 HydrophobicContact CD2-CB 4.38Å; Y258-E260 HydrophobicContact CE2-CB 4.12Å |
| 259 | I | 87.5 | Confident | 81.7 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.2 | 163.4 | -63.2 | -177.7 | 0 | 0 | 0 | 108.4 | F246 L247 L261 L328 Y329 | F246-I259 WeakPolarHBondContact CA-O 3.2Å; L247-I259 PolarHBondContact N-O 3.15Å; L247-I259 PolarHBondContact O-N 2.96Å; I259-L261 HydrophobicContact CG2-CD2 3.78Å; I259-L261 HydrophobicContact CG2-CG 4.3Å; I259-L328 WeakPolarHBondContact CD1-O 3.38Å; I259-Y329 HydrophobicContact CD1-CD1 3.33Å; I259-Y329 HydrophobicContact CD1-CD2 4.43Å; I259-Y329 HydrophobicContact CD1-CE1 3.49Å; I259-Y329 VanDerWaalsContact CD1-CE1 3.49Å; I259-Y329 HydrophobicContact CD1-CG 3.82Å; I259-Y329 HydrophobicContact CG1-CD1 4.16Å; I259-Y329 HydrophobicContact CG1-CE1 3.88Å |
| 260 | E | 88.4 | Confident | 80.6 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.4 | 170.9 | -176.1 | 166 | -172.2 | 0 | 0 | 109.9 | R244 F246 Y258 A262 | R244-E260 WeakPolarHBondContact CD-OE1 3.35Å; R244-E260 IonicContact CZ-OE1 2.8Å; R244-E260 IonicContact NE-OE1 2.84Å; R244-E260 IonicContact NH1-OE1 3.72Å; R244-E260 PolarHBondContact NH1-OE1 3.48Å; F246-E260 HydrophobicContact CD1-CB 4.2Å; F246-E260 HydrophobicContact CD1-CG 4.22Å; F246-E260 HydrophobicContact CE1-CB 4.08Å; F246-E260 HydrophobicContact CE1-CG 3.74Å; F246-E260 HydrophobicContact CZ-CG 4.27Å; Y258-E260 HydrophobicContact CD2-CB 4.38Å; Y258-E260 HydrophobicContact CE2-CB 4.12Å; E260-A262 HydrophobicContact CG-CB 4.25Å |
| 261 | L | 88.2 | Confident | 79.4 | Confident | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 104 | 178.3 | -56.5 | 173 | 0 | 0 | 0 | 107.3 | R244 C245 I259 F264 L309 L325 M333 | R244-L261 CarbonylContact C-O 3.49Å; R244-L261 VanDerWaalsContact CA-O 3.22Å; R244-L261 WeakPolarHBondContact CA-O 3.44Å; R244-L261 WeakPolarHBondContact CB-O 3.39Å; C245-L261 HydrophobicContact CB-CB 4.44Å; C245-L261 PolarHBondContact N-O 2.96Å; C245-L261 PolarHBondContact O-N 3.01Å; I259-L261 HydrophobicContact CG2-CD2 3.78Å; I259-L261 HydrophobicContact CG2-CG 4.3Å; L261-F264 HydrophobicContact CB-CE2 4.05Å; L261-F264 HydrophobicContact CB-CZ 3.59Å; L261-F264 WeakPolarHBondContact O-CE2 3.4Å; L261-L309 HydrophobicContact CD1-CD2 3.6Å; L261-L325 HydrophobicContact CD1-CD2 4.03Å; L261-L325 HydrophobicContact CD2-CD2 4.36Å; L261-M333 HydrophobicContact CD2-CE 4.13Å; L261-M333 HydrophobicContact CD2-SD 3.84Å |
| 262 | A | 81.8 | Confident | 78.4 | Confident | 18 Ų | 18 | 70 Ų | 70 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | trans | -130.4 | -15.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | W234 R244 E260 F264 Q266 | W234-A262 HydrophobicContact CH2-CB 3.63Å; W234-A262 HydrophobicContact CZ3-CB 3.52Å; R244-A262 HydrophobicContact CB-CB 4.15Å; E260-A262 HydrophobicContact CG-CB 4.25Å; A262-F264 PolarHBondContact O-N 2.78Å; A262-Q266 PolarHBondContact O-NE2 2.82Å | ||
| 263 | D | 75.9 | Confident | 78.1 | Confident | 128 Ų | 128 | 69 Ų | 69 | 68% | 0.684 | 40% | 0.395 | S | S | * | . | trans | -79.3 | 27.3 | -175.3 | -67.2 | -25.4 | 0 | 0 | 0 | 114 | C265 | D263-C265 PolarHBondContact O-N 3.11Š| ||
| 264 | F | 79.2 | Confident | 78.2 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 4% | 0.044 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 132.3 | 178.4 | -55.2 | -53.7 | 0 | 0 | 0 | 111 | G243 L261 A262 Q266 A277 I311 L325 | G243-F264 WeakPolarHBondContact O-CD2 3.41Å; L261-F264 HydrophobicContact CB-CE2 4.05Å; L261-F264 HydrophobicContact CB-CZ 3.59Å; L261-F264 WeakPolarHBondContact O-CE2 3.4Å; A262-F264 PolarHBondContact O-N 2.78Å; F264-Q266 WeakPolarHBondContact O-CG 3.21Å; F264-Q266 PolarHBondContact O-N 2.79Å; F264-A277 HydrophobicContact CB-CB 3.41Å; F264-A277 VanDerWaalsContact CB-CB 3.41Å; F264-A277 HydrophobicContact CD1-CB 4.31Å; F264-A277 HydrophobicContact CD2-CB 3.41Å; F264-A277 VanDerWaalsContact CD2-CB 3.41Å; F264-A277 HydrophobicContact CE2-CB 4.23Å; F264-A277 HydrophobicContact CG-CB 3.45Å; F264-A277 VanDerWaalsContact CG-CB 3.45Å; F264-I311 HydrophobicContact CE1-CD1 3.53Å; F264-I311 HydrophobicContact CE2-CD1 4.25Å; F264-I311 HydrophobicContact CZ-CD1 3.28Å; F264-L325 HydrophobicContact CE1-CD2 4.24Å |
| 265 | C | 76.6 | Confident | 78.1 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 9.4 | 172.4 | -43.4 | 0 | 0 | 0 | 0 | 115.7 | D263 C275 Q313 R321 | D263-C265 PolarHBondContact O-N 3.11Å; C265-C275 HydrophobicContact CB-CB 3.86Å; C265-C275 WeakPolarHBondContact CB-SG 3.44Å; C265-C275 WeakPolarHBondContact SG-CB 3.32Å; C265-C275 CovalentContact SG-SG 2.01Å; C265-C275 PolarHBondContact SG-SG 2.92Å; C265-Q313 PolarHBondContact SG-OE1 3.35Å; C265-R321 PolarHBondContact SG-NH2 3.45Å |
| 266 | Q | 74.4 | Confident | 78.3 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 20% | 0.201 | 37% | 0.365 | C | S | . | . | trans | -85.8 | 140.3 | 175.2 | -48.3 | -167.4 | 30.9 | 0 | 0 | 110.4 | A262 F264 V271 | A262-Q266 PolarHBondContact O-NE2 2.82Å; F264-Q266 WeakPolarHBondContact O-CG 3.21Å; F264-Q266 PolarHBondContact O-N 2.79Å; Q266-V271 HydrophobicContact CG-CG2 4.11Å | ||
| 267 | T | 66.7 | Low | 78.6 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 64% | 0.638 | 35% | 0.348 | S | S | * | . | B | Isolated β-bridge | trans | -131.9 | 119.7 | 169.6 | 52.9 | 0 | 0 | 0 | 0 | 109.5 | L269 K270 | T267-L269 VanDerWaalsContact C-N 3.25Å; T267-L269 PolarHBondContact O-N 3.44Å; T267-K270 PolarHBondContact N-O 2.96Å; T267-K270 PolarHBondContact O-N 3.4Å |
| 268 | G | 66.1 | Low | 79.2 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 39.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K270 | G268-K270 PolarHBondContact O-N 3.15Š|
| 269 | L | 64.2 | Low | 79.7 | Confident | 153 Ų | 153 | 54.5 Ų | 54.5 | 80% | 0.801 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 21.2 | -174.9 | -56.6 | 168.5 | 0 | 0 | 0 | 114.6 | T267 | T267-L269 VanDerWaalsContact C-N 3.25Å; T267-L269 PolarHBondContact O-N 3.44Å |
| 270 | K | 68.3 | Low | 80.1 | Confident | 153 Ų | 153 | 52.7 Ų | 52.7 | 67% | 0.665 | 31% | 0.305 | S | S | * | . | B | Isolated β-bridge | trans | -116.1 | 141.6 | 172.6 | -67.4 | -175.4 | 180 | -179.7 | 0 | 111.3 | T267 G268 | T267-K270 PolarHBondContact N-O 2.96Å; T267-K270 PolarHBondContact O-N 3.4Å; G268-K270 PolarHBondContact O-N 3.15Å |
| 271 | V | 67.4 | Low | 80.4 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | trans | -116.9 | 128.5 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | S238 V240 V242 Q266 | S238-V271 WeakPolarHBondContact OG-CB 3.41Å; S238-V271 WeakPolarHBondContact OG-CG1 3.4Å; V240-V271 HydrophobicContact CG2-CG1 3.62Å; V242-V271 HydrophobicContact CG1-CB 4.12Å; V242-V271 HydrophobicContact CG1-CG1 3.4Å; V242-V271 HydrophobicContact CG1-CG2 3.52Å; Q266-V271 HydrophobicContact CG-CG2 4.11Å | ||
| 272 | T | 70.3 | Confident | 80.7 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 72% | 0.718 | 29% | 0.289 | S | S | * | . | trans | -120.3 | -24.1 | -178.9 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 273 | T | 78.3 | Confident | 81.2 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -134 | 144.5 | -179.7 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | T317 | T273-T317 HydrophobicContact CG2-CG2 3.95Š|
| 274 | P | 85.2 | Confident | 81.9 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 29% | 0.286 | 26% | 0.255 | S | S | . | . | trans | -65.5 | 149.3 | 169.8 | 28.8 | -33.3 | 0 | 0 | 0 | 109.7 | V240 P241 L315 | V240-P274 HydrophobicContact CB-CB 4.11Å; P241-P274 HydrophobicContact CG-CB 4.1Å; P241-P274 VanDerWaalsContact O-CA 3.32Å; P241-P274 WeakPolarHBondContact O-CA 3.24Å; P274-L315 CarbonylContact O-C 3.21Å | ||
| 275 | C | 88.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -138.4 | -16.1 | 171.6 | 74.3 | 0 | 0 | 0 | 0 | 114.6 | P241 V242 C265 A277 Q313 L315 | P241-C275 PolarHBondContact O-N 2.72Å; P241-C275 VanDerWaalsContact O-N 3.08Å; V242-C275 PolarHBondContact O-SG 2.9Å; C265-C275 HydrophobicContact CB-CB 3.86Å; C265-C275 WeakPolarHBondContact CB-SG 3.44Å; C265-C275 WeakPolarHBondContact SG-CB 3.32Å; C265-C275 CovalentContact SG-SG 2.01Å; C265-C275 PolarHBondContact SG-SG 2.92Å; C275-A277 PolarHBondContact O-N 2.62Å; C275-Q313 HydrophobicContact CB-CB 4.42Å; C275-Q313 CarbonylContact O-C 3.53Å; C275-Q313 VanDerWaalsContact O-C 3.3Å; C275-Q313 WeakPolarHBondContact O-CA 3.2Å; C275-L315 PolarHBondContact O-N 2.82Å | ||
| 276 | A | 90.3 | Very high | 82.1 | Confident | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | 51.7 | 52 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P232 G278 H279 L315 | P232-A276 HydrophobicContact CB-CB 4.15Å; P232-A276 WeakPolarHBondContact O-CA 3.17Å; A276-G278 PolarHBondContact O-N 3.28Å; A276-H279 HydrophobicContact CB-CB 4.49Å; A276-H279 VanDerWaalsContact O-CB 3.24Å; A276-H279 WeakPolarHBondContact O-CB 3.38Å; A276-H279 PolarHBondContact O-N 2.94Å; A276-H279 VanDerWaalsContact O-N 3.09Å; A276-L315 HydrophobicContact CB-CD1 3.86Å; A276-L315 HydrophobicContact CB-CG 4.13Å | ||
| 277 | A | 91.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 133.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V242 G243 F264 C275 I311 Q313 | V242-A277 WeakPolarHBondContact O-CB 3.28Å; V242-A277 PolarHBondContact O-N 2.95Å; G243-A277 WeakPolarHBondContact CA-O 3.15Å; F264-A277 HydrophobicContact CB-CB 3.41Å; F264-A277 VanDerWaalsContact CB-CB 3.41Å; F264-A277 HydrophobicContact CD1-CB 4.31Å; F264-A277 HydrophobicContact CD2-CB 3.41Å; F264-A277 VanDerWaalsContact CD2-CB 3.41Å; F264-A277 HydrophobicContact CE2-CB 4.23Å; F264-A277 HydrophobicContact CG-CB 3.45Å; F264-A277 VanDerWaalsContact CG-CB 3.45Å; C275-A277 PolarHBondContact O-N 2.62Å; A277-I311 HydrophobicContact CB-CG2 4.2Å; A277-Q313 HydrophobicContact CB-CG 3.82Å |
| 278 | G | 90.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 9.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T214 A276 S280 I311 G312 | T214-G278 WeakPolarHBondContact CG2-O 3.34Å; T214-G278 PolarHBondContact OG1-O 2.87Å; A276-G278 PolarHBondContact O-N 3.28Å; G278-S280 PolarHBondContact O-N 2.84Å; G278-I311 VanDerWaalsContact N-CG2 3.35Å; G278-G312 PolarHBondContact N-O 3.36Å; G278-G312 VanDerWaalsContact N-O 3.14Å |
| 279 | H | 93.7 | Very high | 79.4 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 27% | 0.269 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -59.8 | -28.1 | 169.3 | -178.3 | 78.2 | 0 | 0 | 0 | 112.7 | T214 P232 A276 P314 Y357 | T214-H279 WeakPolarHBondContact CG2-O 3.18Å; P232-H279 HydrophobicContact CB-CB 4.35Å; A276-H279 HydrophobicContact CB-CB 4.49Å; A276-H279 VanDerWaalsContact O-CB 3.24Å; A276-H279 WeakPolarHBondContact O-CB 3.38Å; A276-H279 PolarHBondContact O-N 2.94Å; A276-H279 VanDerWaalsContact O-N 3.09Å; H279-P314 HydrophobicContact CB-CG 3.87Å; H279-Y357 AromaticContact NE2-CD2 3.53Å; H279-Y357 AromaticContact NE2-CE2 3.24Å; H279-Y357 WeakPolarHBondContact NE2-CE2 3.03Å; H279-Y357 AromaticContact NE2-CZ 3.69Å |
| 280 | S | 95.6 | Very high | 78.4 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -141.4 | 154.4 | 160.9 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | G278 G312 G356 Y357 L359 | G278-S280 PolarHBondContact O-N 2.84Å; S280-G312 PolarHBondContact O-N 3.2Å; S280-G356 PolarHBondContact OG-O 2.93Å; S280-Y357 WeakPolarHBondContact CB-O 3.29Å; S280-Y357 PolarHBondContact OG-O 3.13Å; S280-L359 WeakPolarHBondContact OG-CG 3.15Å |
| 281 | I | 95.6 | Very high | 77.1 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.7 | 179.2 | 49 | 171.5 | 0 | 0 | 0 | 111.1 | Q216 L228 C230 L309 W310 I311 | Q216-I281 HydrophobicContact CB-CD1 3.76Å; Q216-I281 HydrophobicContact CB-CG1 4.03Å; L228-I281 HydrophobicContact CB-CD1 4.24Å; L228-I281 HydrophobicContact CD2-CB 4.29Å; L228-I281 HydrophobicContact CD2-CD1 3.73Å; L228-I281 HydrophobicContact CD2-CG2 4.12Å; L228-I281 HydrophobicContact CG-CD1 3.82Å; C230-I281 VanDerWaalsContact SG-CG2 3.6Å; I281-L309 HydrophobicContact CB-CD1 4.38Å; I281-L309 HydrophobicContact CG2-CD1 4.36Å; I281-W310 VanDerWaalsContact CA-O 3.24Å; I281-W310 WeakPolarHBondContact CA-O 3.34Å; I281-I311 HydrophobicContact CG2-CG1 4.42Å |
| 282 | A | 94.7 | Very high | 75.8 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W310 L359 | A282-W310 HydrophobicContact CB-CB 4.18Å; A282-W310 HydrophobicContact CB-CG 4.49Å; A282-W310 PolarHBondContact N-O 3.37Å; A282-W310 VanDerWaalsContact N-O 3.08Å; A282-W310 PolarHBondContact O-N 2.73Å; A282-L359 HydrophobicContact CB-CB 4.02Å |
| 283 | L | 92.8 | Very high | 74.3 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.2 | 173.4 | -72 | 170.7 | 0 | 0 | 0 | 108.4 | Q216 I218 L226 L228 V307 L309 | Q216-L283 HydrophobicContact CB-CD1 4.19Å; Q216-L283 HydrophobicContact CB-CG 4.35Å; Q216-L283 HydrophobicContact CG-CB 4.08Å; Q216-L283 HydrophobicContact CG-CD1 4.07Å; Q216-L283 HydrophobicContact CG-CG 4.02Å; I218-L283 HydrophobicContact CB-CB 4.09Å; I218-L283 HydrophobicContact CB-CD1 4.44Å; I218-L283 HydrophobicContact CD1-CB 4.47Å; I218-L283 HydrophobicContact CG2-CB 3.91Å; I218-L283 HydrophobicContact CG2-CD1 3.96Å; I218-L283 HydrophobicContact CG2-CG 4.48Å; L226-L283 HydrophobicContact CD2-CD1 4.48Å; L226-L283 HydrophobicContact CD2-CD2 4.23Å; L228-L283 HydrophobicContact CB-CD1 4.38Å; L283-V307 HydrophobicContact CD2-CG1 4.12Å; L283-L309 HydrophobicContact CD2-CB 4.07Å; L283-L309 HydrophobicContact CD2-CD1 3.88Å; L283-L309 HydrophobicContact CD2-CG 4.48Å |
| 284 | T | 89 | Confident | 72.6 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.7 | 178.9 | 86.1 | 0 | 0 | 0 | 0 | 109.7 | V307 R308 W310 D361 | T284-V307 WeakPolarHBondContact O-CA 3.4Å; T284-R308 PolarHBondContact N-O 3.24Å; T284-R308 PolarHBondContact O-N 2.79Å; T284-W310 VanDerWaalsContact CG2-NE1 3.34Å; T284-D361 WeakPolarHBondContact CB-OD1 3.41Å; T284-D361 HydrophobicContact CG2-CB 3.68Å; T284-D361 WeakPolarHBondContact CG2-OD1 3.44Å |
| 285 | Y | 86.8 | Confident | 70.6 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.1 | -177.4 | 175.3 | -109.3 | 0 | 0 | 0 | 109.9 | I220 N287 H303 N306 V307 | I220-Y285 HydrophobicContact CG2-CD2 4.18Å; I220-Y285 HydrophobicContact CG2-CE1 4.38Å; I220-Y285 HydrophobicContact CG2-CE2 3.69Å; Y285-N287 HydrophobicContact CD1-CB 4.14Å; Y285-N287 HydrophobicContact CE1-CB 3.68Å; Y285-N287 WeakPolarHBondContact CE1-OD1 3.45Å; Y285-N287 PolarHBondContact OH-OD1 2.9Å; Y285-H303 AromaticContact CZ-ND1 3.98Å; Y285-H303 PolarHBondContact OH-ND1 3.16Å; Y285-N306 HydrophobicContact CD2-CB 4.18Å; Y285-N306 HydrophobicContact CE2-CB 3.83Å; Y285-V307 HydrophobicContact CD2-CG2 3.99Å |
| 286 | N | 74 | Confident | 68.5 | Low | 47 Ų | 47 | 61.1 Ų | 61.1 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | trans | -97.7 | 95.6 | -175.2 | -178.3 | 52.4 | 0 | 0 | 0 | 111.5 | N306 | N286-N306 PolarHBondContact N-O 2.91Š| ||
| 287 | N | 59.9 | Low | 66.5 | Low | 67 Ų | 67 | 66.8 Ų | 66.8 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | trans | -88.7 | 3 | -175.7 | -156.2 | 48.1 | 0 | 0 | 0 | 115.7 | Y285 N289 D290 | Y285-N287 HydrophobicContact CD1-CB 4.14Å; Y285-N287 HydrophobicContact CE1-CB 3.68Å; Y285-N287 WeakPolarHBondContact CE1-OD1 3.45Å; Y285-N287 PolarHBondContact OH-OD1 2.9Å; N287-N289 PolarHBondContact O-N 2.97Å; N287-D290 PolarHBondContact ND2-OD2 2.79Å; N287-D290 PolarHBondContact O-N 3.42Å | ||
| 288 | D | 49 | Very low | 65.1 | Low | 82 Ų | 82 | 69.6 Ų | 69.6 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -60.8 | -2 | -172.2 | -83.6 | -36.9 | 0 | 0 | 0 | 116.8 | D290 K390 | D288-D290 PolarHBondContact O-N 3.23Å; D288-K390 IonicContact OD1-NZ 2.7Å; D288-K390 WeakPolarHBondContact OD2-CE 3.42Å; D288-K390 IonicContact OD2-NZ 3.91Å; D288-K390 PolarHBondContact OD2-NZ 3.32Å |
| 289 | N | 42.7 | Very low | 64.4 | Low | 73 Ų | 73 | 72.3 Ų | 72.3 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -75.9 | -5.9 | 172.7 | -84 | -31.4 | 0 | 0 | 0 | 113.7 | N287 N291 N292 R298 | N287-N289 PolarHBondContact O-N 2.97Å; N289-N291 PolarHBondContact O-N 3.41Å; N289-N292 WeakPolarHBondContact O-CB 3.32Å; N289-N292 PolarHBondContact O-N 2.82Å; N289-R298 PolarHBondContact O-NH2 2.9Å |
| 290 | D | 41.8 | Very low | 63.6 | Low | 84 Ų | 84 | 72.3 Ų | 72.3 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -75 | -8.4 | -177.6 | -71.4 | 6.4 | 0 | 0 | 0 | 114.2 | N287 D288 N292 R298 | N287-D290 PolarHBondContact ND2-OD2 2.79Å; N287-D290 PolarHBondContact O-N 3.42Å; D288-D290 PolarHBondContact O-N 3.23Å; D290-N292 CarbonylContact O-C 3.41Å; D290-N292 PolarHBondContact O-N 2.89Å; D290-R298 IonicContact OD1-CZ 2.78Å; D290-R298 IonicContact OD1-NH1 3.54Å; D290-R298 PolarHBondContact OD1-NH1 3.49Å; D290-R298 VanDerWaalsContact OD1-NH1 3.09Å; D290-R298 IonicContact OD1-NH2 3.54Å; D290-R298 PolarHBondContact OD1-NH2 3.09Å |
| 291 | N | 42.2 | Very low | 62.8 | Low | 141 Ų | 141 | 77.5 Ų | 77.5 | 75% | 0.754 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -65.2 | -13.7 | 162.7 | -78.1 | -22.9 | 0 | 0 | 0 | 112.8 | N289 H293 | N289-N291 PolarHBondContact O-N 3.41Å; N291-H293 PolarHBondContact O-N 3.09Å |
| 292 | N | 38.7 | Very low | 62 | Low | 118 Ų | 118 | 81.6 Ų | 81.6 | 63% | 0.631 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -83.8 | 106.8 | 159.7 | -73.4 | -39.9 | 0 | 0 | 0 | 109 | N289 D290 G294 | N289-N292 WeakPolarHBondContact O-CB 3.32Å; N289-N292 PolarHBondContact O-N 2.82Å; D290-N292 CarbonylContact O-C 3.41Å; D290-N292 PolarHBondContact O-N 2.89Å; N292-G294 PolarHBondContact O-N 3.4Å |
| 293 | H | 40 | Very low | 61.4 | Low | 186 Ų | 186 | 82.8 Ų | 82.8 | 86% | 0.861 | 46% | 0.455 | S | S | * | . | trans | -61.6 | 19.7 | 172.9 | -70.2 | -65.1 | 0 | 0 | 0 | 115.5 | N291 K295 | N291-H293 PolarHBondContact O-N 3.09Å; H293-K295 PolarHBondContact O-N 3.32Å; H293-K295 VanDerWaalsContact O-N 3.11Å | ||
| 294 | G | 41.3 | Very low | 60.9 | Low | 60 Ų | 60 | 82.4 Ų | 82.4 | 62% | 0.619 | 45% | 0.453 | S | S | * | . | trans | -72.2 | 101.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N292 G296 | N292-G294 PolarHBondContact O-N 3.4Å; G294-G296 PolarHBondContact O-N 3.2Å | ||
| 295 | K | 43.8 | Very low | 60.6 | Low | 217 Ų | 217 | 84.3 Ų | 84.3 | 94% | 0.943 | 47% | 0.467 | S | S | * | . | trans | -65.2 | 30.2 | 166.6 | -64.2 | -176.5 | 175.2 | -177.8 | 0 | 113.5 | H293 | H293-K295 PolarHBondContact O-N 3.32Å; H293-K295 VanDerWaalsContact O-N 3.11Å | ||
| 296 | G | 43.6 | Very low | 60.4 | Low | 55 Ų | 55 | 83.4 Ų | 83.4 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | trans | -78.2 | 124 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G294 R298 | G294-G296 PolarHBondContact O-N 3.2Å; G296-R298 PolarHBondContact O-N 2.76Å | ||
| 297 | S | 50.1 | Low | 61.1 | Low | 124 Ų | 124 | 81.1 Ų | 81.1 | 87% | 0.867 | 45% | 0.453 | S | S | * | . | trans | -54.9 | 102.2 | 165.3 | 173.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 298 | R | 62 | Low | 62.6 | Low | 60 Ų | 60 | 81 Ų | 81 | 23% | 0.226 | 45% | 0.447 | C | S | . | . | trans | -59.5 | 143.9 | 171.7 | -70 | -177.1 | -170.1 | 138.9 | 15.2 | 108.5 | N289 D290 G296 E302 | N289-R298 PolarHBondContact O-NH2 2.9Å; D290-R298 IonicContact OD1-CZ 2.78Å; D290-R298 IonicContact OD1-NH1 3.54Å; D290-R298 PolarHBondContact OD1-NH1 3.49Å; D290-R298 VanDerWaalsContact OD1-NH1 3.09Å; D290-R298 IonicContact OD1-NH2 3.54Å; D290-R298 PolarHBondContact OD1-NH2 3.09Å; G296-R298 PolarHBondContact O-N 2.76Å; R298-E302 WeakPolarHBondContact CA-OE2 3.42Å; R298-E302 HydrophobicContact CB-CB 4.25Å | ||
| 299 | S | 74.8 | Confident | 64.7 | Low | 56 Ų | 56 | 77 Ų | 77 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | trans | -67.1 | 154.7 | 173 | 64.7 | 0 | 0 | 0 | 0 | 110.6 | N301 E302 H303 | S299-N301 PolarHBondContact O-N 3.33Å; S299-E302 PolarHBondContact N-OE2 3.26Å; S299-E302 PolarHBondContact O-N 3.27Å; S299-E302 WeakPolarHBondContact OG-CG 3.39Å; S299-E302 PolarHBondContact OG-N 2.96Å; S299-E302 PolarHBondContact OG-OE2 2.86Å; S299-E302 VanDerWaalsContact OG-OE2 3.1Å; S299-H303 PolarHBondContact O-N 2.83Å; S299-H303 VanDerWaalsContact O-N 3.11Å | ||
| 300 | I | 77.4 | Confident | 67.1 | Low | 59 Ų | 59 | 73.7 Ų | 73.7 | 30% | 0.303 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.4 | -39.6 | 174 | -64.1 | 167.8 | 0 | 0 | 0 | 110.4 | L224 Y249 H251 E302 H303 L304 | L224-I300 HydrophobicContact CD1-CG2 4.3Å; L224-I300 HydrophobicContact CD2-CG2 4.18Å; Y249-I300 HydrophobicContact CE2-CG2 4.34Å; H251-I300 VanDerWaalsContact CD2-CD1 3.46Å; H251-I300 WeakPolarHBondContact CD2-CD1 3.48Å; I300-E302 PolarHBondContact O-N 3.07Å; I300-H303 PolarHBondContact O-N 3.07Å; I300-L304 HydrophobicContact CG2-CD1 3.76Å; I300-L304 HydrophobicContact CG2-CG 4.2Å; I300-L304 WeakPolarHBondContact O-CB 3.03Å; I300-L304 VanDerWaalsContact O-CG 3.31Å; I300-L304 WeakPolarHBondContact O-CG 3.46Å; I300-L304 PolarHBondContact O-N 3.08Å |
| 301 | N | 79.3 | Confident | 69.7 | Low | 118 Ų | 118 | 69.7 Ų | 69.7 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63 | -38.5 | 177.7 | -66.4 | -9.9 | 0 | 0 | 0 | 113 | S299 S305 | S299-N301 PolarHBondContact O-N 3.33Å; N301-S305 WeakPolarHBondContact O-CB 3.45Å; N301-S305 PolarHBondContact O-N 2.65Å |
| 302 | E | 77.3 | Confident | 72.1 | Confident | 97 Ų | 97 | 63 Ų | 63 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 174.9 | -75.2 | 167.9 | 135.4 | 0 | 0 | 111.5 | R298 S299 I300 S305 N306 | R298-E302 WeakPolarHBondContact CA-OE2 3.42Å; R298-E302 HydrophobicContact CB-CB 4.25Å; S299-E302 PolarHBondContact N-OE2 3.26Å; S299-E302 PolarHBondContact O-N 3.27Å; S299-E302 WeakPolarHBondContact OG-CG 3.39Å; S299-E302 PolarHBondContact OG-N 2.96Å; S299-E302 PolarHBondContact OG-OE2 2.86Å; S299-E302 VanDerWaalsContact OG-OE2 3.1Å; I300-E302 PolarHBondContact O-N 3.07Å; E302-S305 PolarHBondContact O-N 2.8Å; E302-S305 PolarHBondContact O-OG 2.9Å; E302-N306 PolarHBondContact O-N 2.83Å; E302-N306 PolarHBondContact O-ND2 2.8Å |
| 303 | H | 82.4 | Confident | 74.7 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 13% | 0.13 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -50 | 173.2 | -83.8 | -71.7 | 0 | 0 | 0 | 111.9 | I220 L224 Y285 S299 I300 S305 N306 | I220-H303 HydrophobicContact CG2-CB 4.01Å; L224-H303 HydrophobicContact CD2-CB 4.02Å; Y285-H303 AromaticContact CZ-ND1 3.98Å; Y285-H303 PolarHBondContact OH-ND1 3.16Å; S299-H303 PolarHBondContact O-N 2.83Å; S299-H303 VanDerWaalsContact O-N 3.11Å; I300-H303 PolarHBondContact O-N 3.07Å; H303-S305 VanDerWaalsContact C-N 3.28Å; H303-S305 PolarHBondContact O-N 2.82Å; H303-N306 PolarHBondContact O-N 2.8Å; H303-N306 VanDerWaalsContact O-N 3.17Å |
| 304 | L | 83.3 | Confident | 77.1 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -30.5 | 178.4 | -68.1 | 174.7 | 0 | 0 | 0 | 112.7 | I220 L226 I300 N306 V307 Y329 | I220-L304 HydrophobicContact CD1-CD2 4.08Å; L226-L304 HydrophobicContact CD1-CD2 4.01Å; I300-L304 HydrophobicContact CG2-CD1 3.76Å; I300-L304 HydrophobicContact CG2-CG 4.2Å; I300-L304 WeakPolarHBondContact O-CB 3.03Å; I300-L304 VanDerWaalsContact O-CG 3.31Å; I300-L304 WeakPolarHBondContact O-CG 3.46Å; I300-L304 PolarHBondContact O-N 3.08Å; L304-N306 VanDerWaalsContact C-N 3.25Å; L304-N306 PolarHBondContact O-N 3.25Å; L304-V307 PolarHBondContact O-N 2.86Å; L304-Y329 HydrophobicContact CB-CD2 4.01Å; L304-Y329 HydrophobicContact CD1-CD1 4.42Å; L304-Y329 HydrophobicContact CD1-CD2 3.85Å; L304-Y329 HydrophobicContact CD1-CE2 4.19Å; L304-Y329 HydrophobicContact CD1-CG 3.99Å; L304-Y329 HydrophobicContact CD2-CD2 4.2Å; L304-Y329 HydrophobicContact CD2-CE2 4.04Å; L304-Y329 HydrophobicContact CG-CD2 4.24Å |
| 305 | S | 81.6 | Confident | 79.4 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.9 | -25 | 176.2 | 75.8 | 0 | 0 | 0 | 0 | 114 | N301 E302 H303 V307 | N301-S305 WeakPolarHBondContact O-CB 3.45Å; N301-S305 PolarHBondContact O-N 2.65Å; E302-S305 PolarHBondContact O-N 2.8Å; E302-S305 PolarHBondContact O-OG 2.9Å; H303-S305 VanDerWaalsContact C-N 3.28Å; H303-S305 PolarHBondContact O-N 2.82Å; S305-V307 VanDerWaalsContact C-N 3.33Å |
| 306 | N | 83.6 | Confident | 81.4 | Confident | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.5 | 178.2 | -66.4 | -49.6 | 0 | 0 | 0 | 113.9 | Y285 N286 E302 H303 L304 | Y285-N306 HydrophobicContact CD2-CB 4.18Å; Y285-N306 HydrophobicContact CE2-CB 3.83Å; N286-N306 PolarHBondContact N-O 2.91Å; E302-N306 PolarHBondContact O-N 2.83Å; E302-N306 PolarHBondContact O-ND2 2.8Å; H303-N306 PolarHBondContact O-N 2.8Å; H303-N306 VanDerWaalsContact O-N 3.17Å; L304-N306 VanDerWaalsContact C-N 3.25Å; L304-N306 PolarHBondContact O-N 3.25Å |
| 307 | V | 89.2 | Confident | 83 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.3 | 174.7 | -176 | 0 | 0 | 0 | 0 | 110.2 | I220 L226 L283 T284 Y285 L304 S305 L328 | I220-V307 HydrophobicContact CD1-CG2 3.76Å; I220-V307 HydrophobicContact CG1-CG2 4.48Å; L226-V307 HydrophobicContact CD2-CB 4.37Å; L226-V307 HydrophobicContact CD2-CG1 3.69Å; L226-V307 HydrophobicContact CD2-CG2 4.27Å; L283-V307 HydrophobicContact CD2-CG1 4.12Å; T284-V307 WeakPolarHBondContact O-CA 3.4Å; Y285-V307 HydrophobicContact CD2-CG2 3.99Å; L304-V307 PolarHBondContact O-N 2.86Å; S305-V307 VanDerWaalsContact C-N 3.33Å; V307-L328 HydrophobicContact CB-CD1 4.44Å; V307-L328 HydrophobicContact CG1-CD1 4.1Å |
| 308 | R | 90.3 | Very high | 84 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.2 | 171.6 | -46.8 | -171.7 | 177.8 | 146.7 | 1.7 | 109.2 | T284 I324 L325 T326 | T284-R308 PolarHBondContact N-O 3.24Å; T284-R308 PolarHBondContact O-N 2.79Å; R308-I324 HydrophobicContact CB-CG2 4.28Å; R308-L325 WeakPolarHBondContact CA-O 3.42Å; R308-T326 HydrophobicContact CB-CG2 4.23Å; R308-T326 HydrophobicContact CG-CG2 3.9Å |
| 309 | L | 93.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.3 | 175.9 | 168.2 | 55.3 | 0 | 0 | 0 | 109.6 | L228 L261 I281 L283 I311 I324 L325 L328 | L228-L309 HydrophobicContact CD2-CD1 3.18Å; L228-L309 HydrophobicContact CD2-CD2 3.58Å; L228-L309 HydrophobicContact CD2-CG 4.01Å; L261-L309 HydrophobicContact CD1-CD2 3.6Å; I281-L309 HydrophobicContact CB-CD1 4.38Å; I281-L309 HydrophobicContact CG2-CD1 4.36Å; L283-L309 HydrophobicContact CD2-CB 4.07Å; L283-L309 HydrophobicContact CD2-CD1 3.88Å; L283-L309 HydrophobicContact CD2-CG 4.48Å; L309-I311 HydrophobicContact CD1-CG1 4.08Å; L309-I311 HydrophobicContact CD2-CD1 3.92Å; L309-I311 HydrophobicContact CD2-CG1 4.23Å; L309-I311 HydrophobicContact CG-CD1 4.03Å; L309-I311 HydrophobicContact CG-CG1 3.79Å; L309-I324 CarbonylContact O-C 3.52Å; L309-I324 WeakPolarHBondContact O-CA 3.33Å; L309-L325 HydrophobicContact CB-CB 4.32Å; L309-L325 PolarHBondContact N-O 2.82Å; L309-L325 PolarHBondContact O-N 2.87Å; L309-L328 HydrophobicContact CB-CD1 3.89Å; L309-L328 HydrophobicContact CB-CD2 4.03Å |
| 310 | W | 93.6 | Very high | 85.3 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.1 | 174.2 | -58.4 | 66.4 | 0 | 0 | 0 | 109 | I281 A282 T284 I322 Q323 I324 L359 I386 V388 | I281-W310 VanDerWaalsContact CA-O 3.24Å; I281-W310 WeakPolarHBondContact CA-O 3.34Å; A282-W310 HydrophobicContact CB-CB 4.18Å; A282-W310 HydrophobicContact CB-CG 4.49Å; A282-W310 PolarHBondContact N-O 3.37Å; A282-W310 VanDerWaalsContact N-O 3.08Å; A282-W310 PolarHBondContact O-N 2.73Å; T284-W310 VanDerWaalsContact CG2-NE1 3.34Å; W310-I322 HydrophobicContact CE3-CD1 3.77Å; W310-I322 HydrophobicContact CZ3-CD1 3.82Å; W310-Q323 CarbonylContact C-O 3.5Å; W310-I324 HydrophobicContact CD2-CD1 3.91Å; W310-I324 HydrophobicContact CD2-CG1 3.88Å; W310-I324 HydrophobicContact CE3-CD1 3.66Å; W310-I324 HydrophobicContact CE3-CG1 3.73Å; W310-I324 HydrophobicContact CG-CG1 4.45Å; W310-I324 HydrophobicContact CH2-CD1 3.46Å; W310-I324 VanDerWaalsContact CH2-CD1 3.46Å; W310-I324 HydrophobicContact CH2-CG1 4.43Å; W310-I324 HydrophobicContact CZ2-CD1 3.73Å; W310-I324 HydrophobicContact CZ3-CD1 3.41Å; W310-I324 VanDerWaalsContact CZ3-CD1 3.41Å; W310-I324 HydrophobicContact CZ3-CG1 4.01Å; W310-L359 HydrophobicContact CB-CD1 4.07Å; W310-I386 HydrophobicContact CH2-CB 4.02Å; W310-I386 HydrophobicContact CH2-CG2 3.86Å; W310-I386 HydrophobicContact CZ3-CB 4.13Å; W310-I386 HydrophobicContact CZ3-CD1 3.92Å; W310-I386 HydrophobicContact CZ3-CG2 4.11Å; W310-V388 HydrophobicContact CH2-CG2 4.05Å; W310-V388 HydrophobicContact CZ2-CG2 4.04Å |
| 311 | I | 95 | Very high | 85.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.8 | -176.7 | -56.9 | -173.6 | 0 | 0 | 0 | 109.3 | F264 A277 G278 I281 L309 Q313 I322 Q323 L325 | F264-I311 HydrophobicContact CE1-CD1 3.53Å; F264-I311 HydrophobicContact CE2-CD1 4.25Å; F264-I311 HydrophobicContact CZ-CD1 3.28Å; A277-I311 HydrophobicContact CB-CG2 4.2Å; G278-I311 VanDerWaalsContact N-CG2 3.35Å; I281-I311 HydrophobicContact CG2-CG1 4.42Å; L309-I311 HydrophobicContact CD1-CG1 4.08Å; L309-I311 HydrophobicContact CD2-CD1 3.92Å; L309-I311 HydrophobicContact CD2-CG1 4.23Å; L309-I311 HydrophobicContact CG-CD1 4.03Å; L309-I311 HydrophobicContact CG-CG1 3.79Å; I311-Q313 HydrophobicContact CG2-CG 4.36Å; I311-I322 CarbonylContact O-C 3.3Å; I311-I322 VanDerWaalsContact O-CA 3.27Å; I311-I322 WeakPolarHBondContact O-CA 3.49Å; I311-Q323 PolarHBondContact N-O 3.13Å; I311-Q323 PolarHBondContact O-N 2.7Å; I311-L325 HydrophobicContact CD1-CD1 3.88Å; I311-L325 HydrophobicContact CD1-CD2 3.91Å; I311-L325 HydrophobicContact CG1-CD1 4.25Å |
| 312 | G | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G278 S280 G356 L359 | G278-G312 PolarHBondContact N-O 3.36Å; G278-G312 VanDerWaalsContact N-O 3.14Å; S280-G312 PolarHBondContact O-N 3.2Å; G312-G356 WeakPolarHBondContact CA-O 2.94Å; G312-L359 VanDerWaalsContact N-CD1 3.31Å |
| 313 | Q | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 62.4 | 179.6 | -54 | -173.6 | -6.9 | 0 | 0 | 109.2 | C265 C275 A277 I311 L315 S316 R321 | C265-Q313 PolarHBondContact SG-OE1 3.35Å; C275-Q313 HydrophobicContact CB-CB 4.42Å; C275-Q313 CarbonylContact O-C 3.53Å; C275-Q313 VanDerWaalsContact O-C 3.3Å; C275-Q313 WeakPolarHBondContact O-CA 3.2Å; A277-Q313 HydrophobicContact CB-CG 3.82Å; I311-Q313 HydrophobicContact CG2-CG 4.36Å; Q313-L315 VanDerWaalsContact C-N 3.28Å; Q313-L315 PolarHBondContact O-N 2.77Å; Q313-S316 VanDerWaalsContact O-CB 3.23Å; Q313-S316 WeakPolarHBondContact O-CB 3.22Å; Q313-S316 PolarHBondContact O-N 2.94Å; Q313-S316 VanDerWaalsContact O-N 3.09Å; Q313-R321 CarbonylContact C-O 3.59Å; Q313-R321 WeakPolarHBondContact CA-O 3.44Å; Q313-R321 HydrophobicContact CB-CG 3.86Å; Q313-R321 WeakPolarHBondContact CB-O 3.31Å; Q313-R321 PolarHBondContact N-O 3.27Å; Q313-R321 PolarHBondContact O-N 3.04Å; Q313-R321 VanDerWaalsContact OE1-CZ 3.27Å |
| 314 | P | 90.8 | Very high | 87.4 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20.3 | -165.7 | 28.3 | -36 | 0 | 0 | 0 | 114.3 | H279 S316 G320 L354 F355 | H279-P314 HydrophobicContact CB-CG 3.87Å; P314-S316 VanDerWaalsContact C-N 3.35Å; P314-G320 WeakPolarHBondContact O-CA 3.38Å; P314-L354 HydrophobicContact CB-CB 4.01Å; P314-L354 HydrophobicContact CB-CD2 4.27Å; P314-F355 WeakPolarHBondContact CA-O 3.4Å |
| 315 | L | 88.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 27.5 Ų | 27.5 | 43% | 0.429 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -5.9 | 175.9 | -58.7 | -175.2 | 0 | 0 | 0 | 113.2 | P274 C275 A276 Q313 T317 L354 | P274-L315 CarbonylContact O-C 3.21Å; C275-L315 PolarHBondContact O-N 2.82Å; A276-L315 HydrophobicContact CB-CD1 3.86Å; A276-L315 HydrophobicContact CB-CG 4.13Å; Q313-L315 VanDerWaalsContact C-N 3.28Å; Q313-L315 PolarHBondContact O-N 2.77Å; L315-T317 PolarHBondContact O-N 3.5Å; L315-T317 VanDerWaalsContact O-N 3.08Å; L315-L354 HydrophobicContact CD2-CD2 3.93Å |
| 316 | S | 86.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 26.7 Ų | 26.7 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -60.6 | 114.5 | 179.8 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | Q313 P314 Y319 G320 R321 | Q313-S316 VanDerWaalsContact O-CB 3.23Å; Q313-S316 WeakPolarHBondContact O-CB 3.22Å; Q313-S316 PolarHBondContact O-N 2.94Å; Q313-S316 VanDerWaalsContact O-N 3.09Å; P314-S316 VanDerWaalsContact C-N 3.35Å; S316-Y319 PolarHBondContact O-N 3.34Å; S316-G320 WeakPolarHBondContact O-CA 3.24Å; S316-G320 PolarHBondContact O-N 2.88Å; S316-R321 VanDerWaalsContact OG-CD 3.28Å; S316-R321 WeakPolarHBondContact OG-CD 3.4Å; S316-R321 PolarHBondContact OG-NE 2.86Å |
| 317 | T | 76.6 | Confident | 88.2 | Confident | 86 Ų | 86 | 27.3 Ų | 27.3 | 53% | 0.528 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 142.4 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 112 | T273 L315 | T273-T317 HydrophobicContact CG2-CG2 3.95Å; L315-T317 PolarHBondContact O-N 3.5Å; L315-T317 VanDerWaalsContact O-N 3.08Å |
| 318 | P | 71.4 | Confident | 88 | Confident | 100 Ų | 100 | 27.6 Ų | 27.6 | 65% | 0.649 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -84.6 | -26.8 | 0.1 | 30.2 | -33.4 | 0 | 0 | 0 | 115.4 | ||
| 319 | Y | 76.4 | Confident | 87.6 | Confident | 77 Ų | 77 | 27.5 Ų | 27.5 | 30% | 0.302 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 12.3 | -161.5 | -54.3 | -50.1 | 0 | 0 | 0 | 116.1 | S316 E347 S353 F355 | S316-Y319 PolarHBondContact O-N 3.34Å; Y319-E347 PolarHBondContact OH-O 3.13Å; Y319-S353 CarbonylContact C-O 3.43Å; Y319-S353 PolarHBondContact O-OG 3.1Å; Y319-F355 VanDerWaalsContact O-CB 3.29Å; Y319-F355 WeakPolarHBondContact O-CB 3.41Å; Y319-F355 PolarHBondContact O-N 2.6Å |
| 320 | G | 87.3 | Confident | 86.9 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | 84.5 | 157.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P314 S316 R340 F355 | P314-G320 WeakPolarHBondContact O-CA 3.38Å; S316-G320 WeakPolarHBondContact O-CA 3.24Å; S316-G320 PolarHBondContact O-N 2.88Å; G320-R340 PolarHBondContact O-N 2.79Å; G320-F355 CarbonylContact C-O 3.57Å; G320-F355 WeakPolarHBondContact CA-O 3.3Å |
| 321 | R | 89.6 | Confident | 85.9 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 17% | 0.174 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 169.6 | 177.8 | 73.6 | -174.8 | -172.1 | 179.1 | 4.8 | 110.8 | C265 Q313 S316 T337 I338 F355 | C265-R321 PolarHBondContact SG-NH2 3.45Å; Q313-R321 CarbonylContact C-O 3.59Å; Q313-R321 WeakPolarHBondContact CA-O 3.44Å; Q313-R321 HydrophobicContact CB-CG 3.86Å; Q313-R321 WeakPolarHBondContact CB-O 3.31Å; Q313-R321 PolarHBondContact N-O 3.27Å; Q313-R321 PolarHBondContact O-N 3.04Å; Q313-R321 VanDerWaalsContact OE1-CZ 3.27Å; S316-R321 VanDerWaalsContact OG-CD 3.28Å; S316-R321 WeakPolarHBondContact OG-CD 3.4Å; S316-R321 PolarHBondContact OG-NE 2.86Å; R321-T337 HydrophobicContact CG-CG2 4.45Å; R321-I338 CarbonylContact C-O 3.43Å; R321-I338 WeakPolarHBondContact CA-O 3.45Å; R321-I338 WeakPolarHBondContact CB-O 3.3Å; R321-F355 PolarHBondContact N-O 2.98Å |
| 322 | I | 91.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 158.5 | 168.1 | 66.7 | 165.2 | 0 | 0 | 0 | 110.5 | W310 I311 I324 T337 I338 F355 L359 V364 I386 | W310-I322 HydrophobicContact CE3-CD1 3.77Å; W310-I322 HydrophobicContact CZ3-CD1 3.82Å; I311-I322 CarbonylContact O-C 3.3Å; I311-I322 VanDerWaalsContact O-CA 3.27Å; I311-I322 WeakPolarHBondContact O-CA 3.49Å; I322-I324 HydrophobicContact CD1-CG1 4.4Å; I322-T337 WeakPolarHBondContact O-CA 3.37Å; I322-I338 HydrophobicContact CD1-CB 4.22Å; I322-I338 HydrophobicContact CD1-CD1 3.95Å; I322-I338 HydrophobicContact CG1-CB 3.75Å; I322-I338 HydrophobicContact CG1-CD1 4.37Å; I322-I338 PolarHBondContact N-O 2.83Å; I322-I338 PolarHBondContact O-N 2.82Å; I322-F355 HydrophobicContact CG1-CE1 4.3Å; I322-F355 HydrophobicContact CG2-CE1 4.02Å; I322-F355 HydrophobicContact CG2-CZ 4.49Å; I322-L359 HydrophobicContact CG2-CD2 3.99Å; I322-V364 HydrophobicContact CD1-CG2 3.92Å; I322-V364 HydrophobicContact CG2-CG1 3.8Å; I322-V364 HydrophobicContact CG2-CG2 4.32Å; I322-I386 HydrophobicContact CD1-CD1 3.56Å |
| 323 | Q | 91.1 | Very high | 84.6 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.3 | 166.3 | -65.2 | -170 | -47.6 | 0 | 0 | 109.9 | W310 I311 L325 V335 T337 | W310-Q323 CarbonylContact C-O 3.5Å; I311-Q323 PolarHBondContact N-O 3.13Å; I311-Q323 PolarHBondContact O-N 2.7Å; Q323-L325 HydrophobicContact CB-CD1 3.8Å; Q323-V335 HydrophobicContact CB-CG1 4.04Å; Q323-V335 HydrophobicContact CG-CG1 4.21Å; Q323-T337 HydrophobicContact CG-CG2 4.09Å; Q323-T337 PolarHBondContact NE2-OG1 2.91Å |
| 324 | I | 89.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.5 | 171 | -49.5 | -178.1 | 0 | 0 | 0 | 107.7 | R308 L309 W310 I322 T326 T336 I338 V388 Y400 | R308-I324 HydrophobicContact CB-CG2 4.28Å; L309-I324 CarbonylContact O-C 3.52Å; L309-I324 WeakPolarHBondContact O-CA 3.33Å; W310-I324 HydrophobicContact CD2-CD1 3.91Å; W310-I324 HydrophobicContact CD2-CG1 3.88Å; W310-I324 HydrophobicContact CE3-CD1 3.66Å; W310-I324 HydrophobicContact CE3-CG1 3.73Å; W310-I324 HydrophobicContact CG-CG1 4.45Å; W310-I324 HydrophobicContact CH2-CD1 3.46Å; W310-I324 VanDerWaalsContact CH2-CD1 3.46Å; W310-I324 HydrophobicContact CH2-CG1 4.43Å; W310-I324 HydrophobicContact CZ2-CD1 3.73Å; W310-I324 HydrophobicContact CZ3-CD1 3.41Å; W310-I324 VanDerWaalsContact CZ3-CD1 3.41Å; W310-I324 HydrophobicContact CZ3-CG1 4.01Å; I322-I324 HydrophobicContact CD1-CG1 4.4Å; I324-T326 HydrophobicContact CG2-CG2 4.38Å; I324-T336 PolarHBondContact N-O 2.99Å; I324-T336 PolarHBondContact O-N 2.85Å; I324-I338 HydrophobicContact CD1-CD1 4.38Å; I324-V388 HydrophobicContact CD1-CG2 4.21Å; I324-Y400 HydrophobicContact CD1-CE1 3.74Å; I324-Y400 WeakPolarHBondContact CD1-OH 3.44Å |
| 325 | L | 90.4 | Very high | 83.9 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.6 | 178.7 | -73.7 | 64.2 | 0 | 0 | 0 | 108.7 | L261 F264 R308 L309 I311 Q323 L328 M333 K334 V335 | L261-L325 HydrophobicContact CD1-CD2 4.03Å; L261-L325 HydrophobicContact CD2-CD2 4.36Å; F264-L325 HydrophobicContact CE1-CD2 4.24Å; R308-L325 WeakPolarHBondContact CA-O 3.42Å; L309-L325 HydrophobicContact CB-CB 4.32Å; L309-L325 PolarHBondContact N-O 2.82Å; L309-L325 PolarHBondContact O-N 2.87Å; I311-L325 HydrophobicContact CD1-CD1 3.88Å; I311-L325 HydrophobicContact CD1-CD2 3.91Å; I311-L325 HydrophobicContact CG1-CD1 4.25Å; Q323-L325 HydrophobicContact CB-CD1 3.8Å; L325-L328 HydrophobicContact CB-CD2 3.48Å; L325-L328 VanDerWaalsContact CB-CD2 3.48Å; L325-L328 HydrophobicContact CD2-CD2 4.46Å; L325-M333 HydrophobicContact CB-SD 4.5Å; L325-M333 HydrophobicContact CD2-CE 4.26Å; L325-M333 HydrophobicContact CD2-SD 3.87Å; L325-M333 HydrophobicContact CG-SD 4.38Å; L325-K334 WeakPolarHBondContact CA-O 3.38Å; L325-V335 HydrophobicContact CD1-CG1 4.1Å; L325-V335 HydrophobicContact CG-CG1 4.49Å; L325-V335 HydrophobicContact CG-CG2 4.27Å |
| 326 | T | 87.9 | Confident | 83.8 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159 | 179.1 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | R308 I324 M333 K334 | R308-T326 HydrophobicContact CB-CG2 4.23Å; R308-T326 HydrophobicContact CG-CG2 3.9Å; I324-T326 HydrophobicContact CG2-CG2 4.38Å; T326-M333 WeakPolarHBondContact O-CA 3.2Å; T326-K334 PolarHBondContact N-O 2.92Å; T326-K334 PolarHBondContact O-N 3.39Å; T326-K334 PolarHBondContact OG1-O 2.97Å |
| 327 | N | 85 | Confident | 83.8 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 55.6 | 47.5 | -169.5 | -60.7 | -17.4 | 0 | 0 | 0 | 112.8 | Y329 S330 | N327-Y329 PolarHBondContact O-N 2.77Å; N327-Y329 VanDerWaalsContact O-N 3.07Å; N327-S330 PolarHBondContact O-N 2.76Å; N327-S330 VanDerWaalsContact O-N 3.1Å |
| 328 | L | 85 | Confident | 84.2 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.3 | -169.1 | -57.6 | 172 | 0 | 0 | 0 | 114.6 | L247 I259 V307 L309 L325 M333 | L247-L328 HydrophobicContact CD2-CB 3.84Å; L247-L328 HydrophobicContact CD2-CD1 3.68Å; L247-L328 HydrophobicContact CD2-CG 4.27Å; I259-L328 WeakPolarHBondContact CD1-O 3.38Å; V307-L328 HydrophobicContact CB-CD1 4.44Å; V307-L328 HydrophobicContact CG1-CD1 4.1Å; L309-L328 HydrophobicContact CB-CD1 3.89Å; L309-L328 HydrophobicContact CB-CD2 4.03Å; L325-L328 HydrophobicContact CB-CD2 3.48Å; L325-L328 VanDerWaalsContact CB-CD2 3.48Å; L325-L328 HydrophobicContact CD2-CD2 4.46Å; L328-M333 HydrophobicContact CD2-SD 4.3Å |
| 329 | Y | 82.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 17.2 | -177.7 | -72.2 | -91.2 | 0 | 0 | 0 | 113.8 | L226 L247 Y249 I259 L304 N327 | L226-Y329 HydrophobicContact CD1-CE2 3.91Å; L247-Y329 HydrophobicContact CD2-CE2 3.63Å; L247-Y329 HydrophobicContact CG-CE2 4.32Å; L247-Y329 PolarHBondContact O-OH 3.33Å; Y249-Y329 HydrophobicContact CD1-CD1 4.5Å; Y249-Y329 AromaticContact CD1-CE1 3.63Å; Y249-Y329 HydrophobicContact CD1-CE1 3.63Å; Y249-Y329 AromaticContact CD1-CZ 3.75Å; Y249-Y329 HydrophobicContact CE1-CD1 4.4Å; Y249-Y329 AromaticContact CE1-CE1 3.84Å; Y249-Y329 HydrophobicContact CE1-CE1 3.84Å; I259-Y329 HydrophobicContact CD1-CD1 3.33Å; I259-Y329 HydrophobicContact CD1-CD2 4.43Å; I259-Y329 HydrophobicContact CD1-CE1 3.49Å; I259-Y329 VanDerWaalsContact CD1-CE1 3.49Å; I259-Y329 HydrophobicContact CD1-CG 3.82Å; I259-Y329 HydrophobicContact CG1-CD1 4.16Å; I259-Y329 HydrophobicContact CG1-CE1 3.88Å; L304-Y329 HydrophobicContact CB-CD2 4.01Å; L304-Y329 HydrophobicContact CD1-CD1 4.42Å; L304-Y329 HydrophobicContact CD1-CD2 3.85Å; L304-Y329 HydrophobicContact CD1-CE2 4.19Å; L304-Y329 HydrophobicContact CD1-CG 3.99Å; L304-Y329 HydrophobicContact CD2-CD2 4.2Å; L304-Y329 HydrophobicContact CD2-CE2 4.04Å; L304-Y329 HydrophobicContact CG-CD2 4.24Å; N327-Y329 PolarHBondContact O-N 2.77Å; N327-Y329 VanDerWaalsContact O-N 3.07Å |
| 330 | S | 78 | Confident | 84.9 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -114.9 | 156.3 | 173.2 | 86.8 | 0 | 0 | 0 | 0 | 112.5 | N327 S332 M333 | N327-S330 PolarHBondContact O-N 2.76Å; N327-S330 VanDerWaalsContact O-N 3.1Å; S330-S332 PolarHBondContact O-N 2.89Å; S330-S332 PolarHBondContact OG-N 2.73Å; S330-S332 VanDerWaalsContact OG-N 3.13Å; S330-S332 PolarHBondContact OG-OG 2.71Å; S330-M333 PolarHBondContact O-N 2.97Å |
| 331 | D | 73.4 | Confident | 84.1 | Confident | 183 Ų | 183 | 47.3 Ų | 47.3 | 98% | 0.979 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -1.8 | 171.1 | -53.5 | -38.4 | 0 | 0 | 0 | 113.8 | ||
| 332 | S | 79.2 | Confident | 82.8 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 38.3 | -179.9 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | S330 K334 | S330-S332 PolarHBondContact O-N 2.89Å; S330-S332 PolarHBondContact OG-N 2.73Å; S330-S332 VanDerWaalsContact OG-N 3.13Å; S330-S332 PolarHBondContact OG-OG 2.71Å; S332-K334 WeakPolarHBondContact O-CG 3.41Å; S332-K334 PolarHBondContact O-N 2.81Å |
| 333 | M | 83.4 | Confident | 81 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | trans | -49.9 | 127.2 | 170.1 | -177 | 179.8 | 68.6 | 0 | 0 | 110.5 | L261 L325 T326 L328 S330 V335 | L261-M333 HydrophobicContact CD2-CE 4.13Å; L261-M333 HydrophobicContact CD2-SD 3.84Å; L325-M333 HydrophobicContact CB-SD 4.5Å; L325-M333 HydrophobicContact CD2-CE 4.26Å; L325-M333 HydrophobicContact CD2-SD 3.87Å; L325-M333 HydrophobicContact CG-SD 4.38Å; T326-M333 WeakPolarHBondContact O-CA 3.2Å; L328-M333 HydrophobicContact CD2-SD 4.3Å; S330-M333 PolarHBondContact O-N 2.97Å; M333-V335 HydrophobicContact CE-CG2 4.22Å | ||
| 334 | K | 83.2 | Confident | 78.9 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.3 | -178.9 | -63.9 | -171.9 | 179.5 | -166.6 | 0 | 110.5 | L325 T326 S332 F396 | L325-K334 WeakPolarHBondContact CA-O 3.38Å; T326-K334 PolarHBondContact N-O 2.92Å; T326-K334 PolarHBondContact O-N 3.39Å; T326-K334 PolarHBondContact OG1-O 2.97Å; S332-K334 WeakPolarHBondContact O-CG 3.41Å; S332-K334 PolarHBondContact O-N 2.81Å; K334-F396 PolarHBondContact NZ-O 3.14Å |
| 335 | V | 84.9 | Confident | 76.8 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 42% | 0.418 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123 | 175.3 | -170 | 0 | 0 | 0 | 0 | 108.8 | Q323 L325 M333 | Q323-V335 HydrophobicContact CB-CG1 4.04Å; Q323-V335 HydrophobicContact CG-CG1 4.21Å; L325-V335 HydrophobicContact CD1-CG1 4.1Å; L325-V335 HydrophobicContact CG-CG1 4.49Å; L325-V335 HydrophobicContact CG-CG2 4.27Å; M333-V335 HydrophobicContact CE-CG2 4.22Å |
| 336 | T | 86.1 | Confident | 74.5 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 29% | 0.288 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 111.9 | 175.8 | -42.6 | 0 | 0 | 0 | 0 | 109.2 | I324 Y400 | I324-T336 PolarHBondContact N-O 2.99Å; I324-T336 PolarHBondContact O-N 2.85Å; T336-Y400 VanDerWaalsContact CB-OH 3.31Å; T336-Y400 WeakPolarHBondContact CB-OH 3.36Å; T336-Y400 HydrophobicContact CG2-CD2 4.46Å; T336-Y400 HydrophobicContact CG2-CE2 3.39Å; T336-Y400 VanDerWaalsContact CG2-CZ 3.5Å; T336-Y400 WeakPolarHBondContact CG2-OH 3.3Å; T336-Y400 PolarHBondContact O-OH 2.96Å |
| 337 | T | 86.2 | Confident | 72.4 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 36% | 0.362 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.2 | -175.7 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | R321 I322 Q323 | R321-T337 HydrophobicContact CG-CG2 4.45Å; I322-T337 WeakPolarHBondContact O-CA 3.37Å; Q323-T337 HydrophobicContact CG-CG2 4.09Å; Q323-T337 PolarHBondContact NE2-OG1 2.91Å |
| 338 | I | 86 | Confident | 70.4 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.072 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115.3 | 168.4 | -62.9 | 162.5 | 0 | 0 | 0 | 107.9 | R321 I322 I324 F355 I386 Y400 | R321-I338 CarbonylContact C-O 3.43Å; R321-I338 WeakPolarHBondContact CA-O 3.45Å; R321-I338 WeakPolarHBondContact CB-O 3.3Å; I322-I338 HydrophobicContact CD1-CB 4.22Å; I322-I338 HydrophobicContact CD1-CD1 3.95Å; I322-I338 HydrophobicContact CG1-CB 3.75Å; I322-I338 HydrophobicContact CG1-CD1 4.37Å; I322-I338 PolarHBondContact N-O 2.83Å; I322-I338 PolarHBondContact O-N 2.82Å; I324-I338 HydrophobicContact CD1-CD1 4.38Å; I338-F355 HydrophobicContact CG2-CE1 4.44Å; I338-F355 HydrophobicContact CG2-CZ 4.5Å; I338-I386 HydrophobicContact CD1-CD1 3.98Å; I338-I386 HydrophobicContact CD1-CG2 3.93Å; I338-Y400 HydrophobicContact CD1-CD1 4.02Å; I338-Y400 HydrophobicContact CD1-CD2 4.19Å; I338-Y400 HydrophobicContact CD1-CE1 3.44Å; I338-Y400 VanDerWaalsContact CD1-CE1 3.44Å; I338-Y400 HydrophobicContact CD1-CE2 3.59Å; I338-Y400 HydrophobicContact CD1-CG 4.37Å; I338-Y400 VanDerWaalsContact CD1-OH 3.32Å; I338-Y400 WeakPolarHBondContact CD1-OH 3.31Å; I338-Y400 HydrophobicContact CG1-CD2 4.1Å; I338-Y400 HydrophobicContact CG1-CE1 4.19Å; I338-Y400 HydrophobicContact CG1-CE2 3.36Å; I338-Y400 VanDerWaalsContact CG1-CZ 3.44Å; I338-Y400 WeakPolarHBondContact CG1-OH 3.33Å |
| 339 | N | 83 | Confident | 68.6 | Low | 103 Ų | 103 | 79.5 Ų | 79.5 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 159.9 | 168 | -59 | -32.8 | 0 | 0 | 0 | 109.7 | P341 | N339-P341 WeakPolarHBondContact O-CD 2.98Å; N339-P341 VanDerWaalsContact O-N 3.15Å |
| 340 | R | 78.6 | Confident | 66.9 | Low | 24 Ų | 24 | 76.6 Ų | 76.6 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 124.7 | 169.2 | -177.2 | -180 | 171.9 | 124.5 | 6.2 | 109.3 | G320 S353 F355 | G320-R340 PolarHBondContact O-N 2.79Å; R340-S353 WeakPolarHBondContact CD-OG 3.15Å; R340-S353 PolarHBondContact NH1-OG 2.79Å; R340-F355 HydrophobicContact CB-CB 3.74Å; R340-F355 HydrophobicContact CB-CD1 3.91Å; R340-F355 HydrophobicContact CB-CD2 4.41Å; R340-F355 HydrophobicContact CB-CG 3.78Å; R340-F355 HydrophobicContact CG-CB 4.02Å; R340-F355 HydrophobicContact CG-CD2 4.32Å; R340-F355 HydrophobicContact CG-CG 4.11Å |
| 341 | P | 70.6 | Confident | 65.4 | Low | 25 Ų | 25 | 81.8 Ų | 81.8 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 141.6 | -178.3 | -15.2 | 28.6 | 0 | 0 | 0 | 110.8 | N339 T343 I403 W405 | N339-P341 WeakPolarHBondContact O-CD 2.98Å; N339-P341 VanDerWaalsContact O-N 3.15Å; P341-T343 PolarHBondContact O-N 2.65Å; P341-I403 HydrophobicContact CB-CD1 4.4Å; P341-I403 HydrophobicContact CG-CD1 3.83Å; P341-I403 HydrophobicContact CG-CG2 4.34Å; P341-W405 HydrophobicContact CB-CH2 3.72Å; P341-W405 HydrophobicContact CB-CZ2 3.7Å; P341-W405 HydrophobicContact CG-CH2 4.07Å; P341-W405 HydrophobicContact CG-CZ2 4.27Å |
| 342 | E | 62.2 | Low | 64.4 | Low | 183 Ų | 183 | 74.9 Ų | 74.9 | 86% | 0.855 | 42% | 0.416 | S | S | * | . | trans | -70.2 | 112.4 | 177.4 | -69.4 | 172.5 | -169.8 | 0 | 0 | 110.1 | ||||
| 343 | T | 53.5 | Low | 63.9 | Low | 31 Ų | 31 | 71.6 Ų | 71.6 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | trans | -74.6 | 126.7 | 164.6 | 39.6 | 0 | 0 | 0 | 0 | 108.5 | P341 T345 M349 W405 | P341-T343 PolarHBondContact O-N 2.65Å; T343-T345 PolarHBondContact O-N 2.69Å; T343-M349 PolarHBondContact OG1-SD 3.06Å; T343-W405 HydrophobicContact CG2-CH2 3.58Å; T343-W405 HydrophobicContact CG2-CZ2 4.07Å; T343-W405 HydrophobicContact CG2-CZ3 3.98Å | ||
| 344 | T | 47.4 | Very low | 63.9 | Low | 150 Ų | 150 | 70.5 Ų | 70.5 | 92% | 0.92 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -63.3 | -1.4 | -170.7 | 49.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 345 | T | 47 | Very low | 64.2 | Low | 71 Ų | 71 | 67.4 Ų | 67.4 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -103.6 | 87.8 | 179.8 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | T343 | T343-T345 PolarHBondContact O-N 2.69Š|
| 346 | I | 41.9 | Very low | 64.4 | Low | 121 Ų | 121 | 64.1 Ų | 64.1 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | trans | 71.2 | 116.6 | 158.4 | -47.7 | 171.9 | 0 | 0 | 0 | 115.2 | S348 M349 | I346-S348 WeakPolarHBondContact CG2-OG 3.48Å; I346-S348 PolarHBondContact O-N 2.96Å; I346-M349 WeakPolarHBondContact O-CG 3.37Å; I346-M349 PolarHBondContact O-N 3.06Å | ||
| 347 | E | 42.4 | Very low | 64.8 | Low | 186 Ų | 186 | 64.5 Ų | 64.5 | 87% | 0.869 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -3.9 | -179.2 | -58.9 | 172.6 | 147.2 | 0 | 0 | 115.6 | Y319 M349 | Y319-E347 PolarHBondContact OH-O 3.13Å; E347-M349 VanDerWaalsContact C-N 3.25Å; E347-M349 PolarHBondContact O-N 3.39Å |
| 348 | S | 44.3 | Very low | 65.2 | Low | 68 Ų | 68 | 62.3 Ų | 62.3 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.2 | 178.1 | 66.3 | 0 | 0 | 0 | 0 | 114 | I346 A350 Q374 | I346-S348 WeakPolarHBondContact CG2-OG 3.48Å; I346-S348 PolarHBondContact O-N 2.96Å; S348-A350 PolarHBondContact O-N 3.02Å; S348-Q374 PolarHBondContact O-NE2 2.81Å |
| 349 | M | 45.6 | Very low | 65.6 | Low | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.069 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -64.3 | 107 | -174.9 | -72.4 | -179.6 | 77.9 | 0 | 0 | 113.2 | T343 I346 E347 T378 Y379 I380 | T343-M349 PolarHBondContact OG1-SD 3.06Å; I346-M349 WeakPolarHBondContact O-CG 3.37Å; I346-M349 PolarHBondContact O-N 3.06Å; E347-M349 VanDerWaalsContact C-N 3.25Å; E347-M349 PolarHBondContact O-N 3.39Å; M349-T378 HydrophobicContact CG-CG2 4.33Å; M349-Y379 WeakPolarHBondContact CE-O 3.49Å; M349-I380 HydrophobicContact CE-CG1 4.11Å |
| 350 | A | 48.5 | Very low | 66 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | trans | 53.2 | 81 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | S348 G352 S353 I380 | S348-A350 PolarHBondContact O-N 3.02Å; A350-G352 PolarHBondContact O-N 3.06Å; A350-S353 VanDerWaalsContact O-CB 3.27Å; A350-S353 WeakPolarHBondContact O-CB 3.38Å; A350-S353 PolarHBondContact O-N 2.92Å; A350-I380 HydrophobicContact CB-CD1 4.48Å | ||
| 351 | I | 46.3 | Very low | 66.2 | Low | 158 Ų | 158 | 58.6 Ų | 58.6 | 81% | 0.81 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 120.9 | 141.8 | -60.6 | 173.5 | 0 | 0 | 0 | 106.8 | ||
| 352 | G | 53.2 | Low | 66.9 | Low | 38 Ų | 38 | 58 Ų | 58 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 13.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | A350 L354 | A350-G352 PolarHBondContact O-N 3.06Å; G352-L354 PolarHBondContact O-N 2.82Å |
| 353 | S | 66.8 | Low | 68.3 | Low | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | trans | -61.4 | 115.9 | 157.5 | 160 | 0 | 0 | 0 | 0 | 110.6 | Y319 R340 A350 | Y319-S353 CarbonylContact C-O 3.43Å; Y319-S353 PolarHBondContact O-OG 3.1Å; R340-S353 WeakPolarHBondContact CD-OG 3.15Å; R340-S353 PolarHBondContact NH1-OG 2.79Å; A350-S353 VanDerWaalsContact O-CB 3.27Å; A350-S353 WeakPolarHBondContact O-CB 3.38Å; A350-S353 PolarHBondContact O-N 2.92Å | ||
| 354 | L | 83.9 | Confident | 70.1 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | trans | -103.5 | 58.4 | 178.9 | -62 | 172.5 | 0 | 0 | 0 | 111.3 | P314 L315 G352 G356 Y357 P367 | P314-L354 HydrophobicContact CB-CB 4.01Å; P314-L354 HydrophobicContact CB-CD2 4.27Å; L315-L354 HydrophobicContact CD2-CD2 3.93Å; G352-L354 PolarHBondContact O-N 2.82Å; L354-G356 PolarHBondContact O-N 2.8Å; L354-Y357 HydrophobicContact CB-CD2 4.21Å; L354-Y357 HydrophobicContact CD1-CD2 3.96Å; L354-Y357 HydrophobicContact CD1-CE2 4.33Å; L354-Y357 WeakPolarHBondContact O-CB 3.35Å; L354-Y357 PolarHBondContact O-N 2.91Å; L354-P367 HydrophobicContact CB-CG 4.2Å; L354-P367 PolarHBondContact N-O 2.87Å | ||
| 355 | F | 89 | Confident | 72.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 126.3 | -179.9 | 176.3 | -100.9 | 0 | 0 | 0 | 111.2 | P314 Y319 G320 R321 I322 I338 R340 V364 A366 V384 | P314-F355 WeakPolarHBondContact CA-O 3.4Å; Y319-F355 VanDerWaalsContact O-CB 3.29Å; Y319-F355 WeakPolarHBondContact O-CB 3.41Å; Y319-F355 PolarHBondContact O-N 2.6Å; G320-F355 CarbonylContact C-O 3.57Å; G320-F355 WeakPolarHBondContact CA-O 3.3Å; R321-F355 PolarHBondContact N-O 2.98Å; I322-F355 HydrophobicContact CG1-CE1 4.3Å; I322-F355 HydrophobicContact CG2-CE1 4.02Å; I322-F355 HydrophobicContact CG2-CZ 4.49Å; I338-F355 HydrophobicContact CG2-CE1 4.44Å; I338-F355 HydrophobicContact CG2-CZ 4.5Å; R340-F355 HydrophobicContact CB-CB 3.74Å; R340-F355 HydrophobicContact CB-CD1 3.91Å; R340-F355 HydrophobicContact CB-CD2 4.41Å; R340-F355 HydrophobicContact CB-CG 3.78Å; R340-F355 HydrophobicContact CG-CB 4.02Å; R340-F355 HydrophobicContact CG-CD2 4.32Å; R340-F355 HydrophobicContact CG-CG 4.11Å; F355-V364 HydrophobicContact CD2-CG1 3.91Å; F355-V364 HydrophobicContact CE1-CG1 4.32Å; F355-V364 HydrophobicContact CE2-CB 3.95Å; F355-V364 HydrophobicContact CE2-CG1 3.51Å; F355-V364 HydrophobicContact CG-CG1 4.46Å; F355-V364 HydrophobicContact CZ-CB 4.22Å; F355-V364 HydrophobicContact CZ-CG1 3.75Å; F355-V364 HydrophobicContact CZ-CG2 4.49Å; F355-A366 HydrophobicContact CB-CB 4.13Å; F355-A366 HydrophobicContact CD2-CB 4.11Å; F355-V384 HydrophobicContact CE2-CB 4.1Å; F355-V384 HydrophobicContact CE2-CG1 4.42Å; F355-V384 HydrophobicContact CE2-CG2 4Å |
| 356 | G | 90.8 | Very high | 73.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 24.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S280 G312 L354 T365 | S280-G356 PolarHBondContact OG-O 2.93Å; G312-G356 WeakPolarHBondContact CA-O 2.94Å; L354-G356 PolarHBondContact O-N 2.8Å; G356-T365 PolarHBondContact N-O 2.69Å |
| 357 | Y | 93.1 | Very high | 75.8 | Confident | 54 Ų | 54 | 31.7 Ų | 31.7 | 21% | 0.212 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -67.8 | -53.6 | 174.2 | -172.2 | -90.3 | 0 | 0 | 0 | 111.5 | H279 S280 L354 P367 M420 | H279-Y357 AromaticContact NE2-CD2 3.53Å; H279-Y357 AromaticContact NE2-CE2 3.24Å; H279-Y357 WeakPolarHBondContact NE2-CE2 3.03Å; H279-Y357 AromaticContact NE2-CZ 3.69Å; S280-Y357 WeakPolarHBondContact CB-O 3.29Å; S280-Y357 PolarHBondContact OG-O 3.13Å; L354-Y357 HydrophobicContact CB-CD2 4.21Å; L354-Y357 HydrophobicContact CD1-CD2 3.96Å; L354-Y357 HydrophobicContact CD1-CE2 4.33Å; L354-Y357 WeakPolarHBondContact O-CB 3.35Å; L354-Y357 PolarHBondContact O-N 2.91Å; Y357-P367 HydrophobicContact CD1-CG 3.86Å; Y357-P367 HydrophobicContact CD2-CG 3.93Å; Y357-P367 HydrophobicContact CG-CG 3.42Å; Y357-P367 VanDerWaalsContact CG-CG 3.42Å; Y357-M420 HydrophobicContact CD1-SD 4.32Å; Y357-M420 HydrophobicContact CE1-CB 4.26Å; Y357-M420 HydrophobicContact CE1-CE 3.89Å; Y357-M420 HydrophobicContact CE1-CG 4.45Å; Y357-M420 WeakPolarHBondContact CE1-O 3.41Å; Y357-M420 HydrophobicContact CE1-SD 3.56Å; Y357-M420 VanDerWaalsContact CE1-SD 3.56Å; Y357-M420 HydrophobicContact CE2-SD 4.34Å; Y357-M420 VanDerWaalsContact CZ-SD 3.58Å; Y357-M420 WeakPolarHBondContact OH-CE 3.31Å |
| 358 | A | 94.4 | Very high | 76.9 | Confident | 13 Ų | 13 | 23.2 Ų | 23.2 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -124.7 | 151.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | T365 V422 | A358-T365 HydrophobicContact CB-CG2 4.26Å; A358-T365 WeakPolarHBondContact CB-OG1 3.25Å; A358-T365 PolarHBondContact N-OG1 2.85Å; A358-T365 PolarHBondContact O-N 3.35Å; A358-T365 PolarHBondContact O-OG1 3.14Å; A358-V422 HydrophobicContact CB-CG1 3.89Å |
| 359 | L | 94.6 | Very high | 77.6 | Confident | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.2 | -173.4 | -68.8 | 176.6 | 0 | 0 | 0 | 111.5 | S280 A282 W310 G312 I322 V364 | S280-L359 WeakPolarHBondContact OG-CG 3.15Å; A282-L359 HydrophobicContact CB-CB 4.02Å; W310-L359 HydrophobicContact CB-CD1 4.07Å; G312-L359 VanDerWaalsContact N-CD1 3.31Å; I322-L359 HydrophobicContact CG2-CD2 3.99Å; L359-V364 HydrophobicContact CD2-CB 4.01Å; L359-V364 HydrophobicContact CD2-CG1 3.76Å; L359-V364 HydrophobicContact CD2-CG2 3.62Å |
| 360 | T | 92.2 | Very high | 77.9 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 177.5 | 162.8 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | G362 F363 V422 R424 | T360-G362 PolarHBondContact O-N 2.93Å; T360-F363 HydrophobicContact CG2-CB 3.8Å; T360-F363 HydrophobicContact CG2-CD2 4.24Å; T360-F363 HydrophobicContact CG2-CG 4.48Å; T360-F363 PolarHBondContact N-O 3.4Å; T360-F363 PolarHBondContact O-N 3.21Å; T360-F363 VanDerWaalsContact O-O 3.08Å; T360-V422 HydrophobicContact CG2-CB 4.47Å; T360-V422 HydrophobicContact CG2-CG1 3.96Å; T360-V422 HydrophobicContact CG2-CG2 3.88Å; T360-R424 HydrophobicContact CG2-CB 4.1Å |
| 361 | D | 82.4 | Confident | 78 | Confident | 48 Ų | 48 | 28 Ų | 28 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 108.6 | -174.9 | 175 | 39.3 | 0 | 0 | 0 | 112.4 | T284 F363 R424 | T284-D361 WeakPolarHBondContact CB-OD1 3.41Å; T284-D361 HydrophobicContact CG2-CB 3.68Å; T284-D361 WeakPolarHBondContact CG2-OD1 3.44Å; D361-F363 VanDerWaalsContact C-N 3.33Å; D361-F363 VanDerWaalsContact O-CD2 3.28Å; D361-F363 WeakPolarHBondContact O-CD2 3.45Å; D361-F363 PolarHBondContact O-N 2.94Å; D361-R424 IonicContact OD2-CZ 2.77Å; D361-R424 IonicContact OD2-NH1 2.63Å; D361-R424 PolarHBondContact OD2-NH1 2.96Å |
| 362 | G | 86.4 | Confident | 78 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 12% | 0.124 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 8.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T360 G385 I386 | T360-G362 PolarHBondContact O-N 2.93Å; G362-G385 CarbonylContact O-C 3.59Å; G362-G385 WeakPolarHBondContact O-CA 3.28Å; G362-I386 PolarHBondContact O-N 2.95Å |
| 363 | F | 90.9 | Very high | 77.7 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.9 | -178.8 | -63.8 | -82.2 | 0 | 0 | 0 | 113.5 | T360 D361 L383 V384 F406 V422 R424 K433 V435 | T360-F363 HydrophobicContact CG2-CB 3.8Å; T360-F363 HydrophobicContact CG2-CD2 4.24Å; T360-F363 HydrophobicContact CG2-CG 4.48Å; T360-F363 PolarHBondContact N-O 3.4Å; T360-F363 PolarHBondContact O-N 3.21Å; T360-F363 VanDerWaalsContact O-O 3.08Å; D361-F363 VanDerWaalsContact C-N 3.33Å; D361-F363 VanDerWaalsContact O-CD2 3.28Å; D361-F363 WeakPolarHBondContact O-CD2 3.45Å; D361-F363 PolarHBondContact O-N 2.94Å; F363-L383 HydrophobicContact CB-CD1 4.21Å; F363-L383 HydrophobicContact CD1-CD1 4.38Å; F363-V384 WeakPolarHBondContact CA-O 3.42Å; F363-F406 HydrophobicContact CD1-CE2 4.12Å; F363-F406 AromaticContact CE1-CE2 3.6Å; F363-F406 HydrophobicContact CE1-CE2 3.6Å; F363-F406 AromaticContact CE1-CZ 3.64Å; F363-F406 HydrophobicContact CE1-CZ 3.64Å; F363-F406 HydrophobicContact CZ-CZ 4.44Å; F363-V422 HydrophobicContact CB-CG2 4.49Å; F363-R424 HydrophobicContact CE2-CG 4.41Å; F363-K433 HydrophobicContact CE2-CB 4.31Å; F363-K433 HydrophobicContact CE2-CD 4.18Å; F363-K433 HydrophobicContact CZ-CB 3.89Å; F363-K433 HydrophobicContact CZ-CD 3.67Å; F363-K433 HydrophobicContact CZ-CG 4.4Å; F363-V435 HydrophobicContact CB-CG2 4.3Å; F363-V435 HydrophobicContact CD1-CB 4.4Å; F363-V435 HydrophobicContact CD1-CG1 4.1Å; F363-V435 HydrophobicContact CD1-CG2 4.27Å; F363-V435 HydrophobicContact CD2-CB 4.16Å; F363-V435 HydrophobicContact CD2-CG2 4.04Å; F363-V435 HydrophobicContact CE1-CB 4.27Å; F363-V435 HydrophobicContact CE1-CG1 3.79Å; F363-V435 HydrophobicContact CE2-CB 4.03Å; F363-V435 HydrophobicContact CE2-CG1 4.39Å; F363-V435 HydrophobicContact CE2-CG2 4.42Å; F363-V435 HydrophobicContact CG-CB 4.34Å; F363-V435 HydrophobicContact CG-CG2 3.95Å; F363-V435 HydrophobicContact CZ-CB 4.08Å; F363-V435 HydrophobicContact CZ-CG1 3.94Å |
| 364 | V | 91.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.4 | -174.2 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | I322 F355 L359 V384 I386 | I322-V364 HydrophobicContact CD1-CG2 3.92Å; I322-V364 HydrophobicContact CG2-CG1 3.8Å; I322-V364 HydrophobicContact CG2-CG2 4.32Å; F355-V364 HydrophobicContact CD2-CG1 3.91Å; F355-V364 HydrophobicContact CE1-CG1 4.32Å; F355-V364 HydrophobicContact CE2-CB 3.95Å; F355-V364 HydrophobicContact CE2-CG1 3.51Å; F355-V364 HydrophobicContact CG-CG1 4.46Å; F355-V364 HydrophobicContact CZ-CB 4.22Å; F355-V364 HydrophobicContact CZ-CG1 3.75Å; F355-V364 HydrophobicContact CZ-CG2 4.49Å; L359-V364 HydrophobicContact CD2-CB 4.01Å; L359-V364 HydrophobicContact CD2-CG1 3.76Å; L359-V364 HydrophobicContact CD2-CG2 3.62Å; V364-V384 PolarHBondContact N-O 3.01Å; V364-V384 PolarHBondContact O-N 2.88Å; V364-I386 HydrophobicContact CG2-CD1 3.46Å; V364-I386 VanDerWaalsContact CG2-CD1 3.46Å |
| 365 | T | 90.4 | Very high | 75.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 156 | 174.7 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | G356 A358 H382 L383 G419 V422 M437 | G356-T365 PolarHBondContact N-O 2.69Å; A358-T365 HydrophobicContact CB-CG2 4.26Å; A358-T365 WeakPolarHBondContact CB-OG1 3.25Å; A358-T365 PolarHBondContact N-OG1 2.85Å; A358-T365 PolarHBondContact O-N 3.35Å; A358-T365 PolarHBondContact O-OG1 3.14Å; T365-H382 CarbonylContact C-O 3.49Å; T365-H382 VanDerWaalsContact CA-O 3.23Å; T365-H382 WeakPolarHBondContact CA-O 3.43Å; T365-L383 HydrophobicContact CG2-CD1 4.25Å; T365-G419 WeakPolarHBondContact CB-O 3.36Å; T365-G419 WeakPolarHBondContact CG2-O 3.46Å; T365-G419 PolarHBondContact OG1-O 3.47Å; T365-V422 HydrophobicContact CG2-CB 3.71Å; T365-V422 HydrophobicContact CG2-CG1 4.03Å; T365-V422 HydrophobicContact CG2-CG2 4.16Å; T365-M437 HydrophobicContact CG2-CG 4.37Å |
| 366 | A | 84.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | trans | -136.4 | 74.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F355 G368 H382 | F355-A366 HydrophobicContact CB-CB 4.13Å; F355-A366 HydrophobicContact CD2-CB 4.11Å; A366-G368 PolarHBondContact O-N 3.14Å; A366-H382 PolarHBondContact N-O 2.84Å; A366-H382 PolarHBondContact O-ND1 2.86Å | ||
| 367 | P | 81 | Confident | 70.8 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | trans | -56.3 | 136.2 | 163.9 | 21.6 | -26.6 | 0 | 0 | 0 | 108.7 | L354 Y357 N418 | L354-P367 HydrophobicContact CB-CG 4.2Å; L354-P367 PolarHBondContact N-O 2.87Å; Y357-P367 HydrophobicContact CD1-CG 3.86Å; Y357-P367 HydrophobicContact CD2-CG 3.93Å; Y357-P367 HydrophobicContact CG-CG 3.42Å; Y357-P367 VanDerWaalsContact CG-CG 3.42Å; P367-N418 WeakPolarHBondContact CA-O 3.39Å; P367-N418 WeakPolarHBondContact CB-O 3.37Å | ||
| 368 | G | 66.2 | Low | 68.7 | Low | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | trans | -136 | 149.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A366 | A366-G368 PolarHBondContact O-N 3.14Š| ||
| 369 | L | 57.3 | Low | 66.8 | Low | 97 Ų | 97 | 64.4 Ų | 64.4 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 116.1 | 171.9 | -166.9 | 74.9 | 0 | 0 | 0 | 108.5 | T371 F415 | L369-T371 PolarHBondContact O-N 3.16Å; L369-F415 HydrophobicContact CD1-CB 4.28Å; L369-F415 HydrophobicContact CD1-CD2 4.24Å; L369-F415 HydrophobicContact CD1-CG 4.39Å |
| 370 | L | 52.7 | Low | 65.1 | Low | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 119.1 | 171.7 | -79 | 165.8 | 0 | 0 | 0 | 109 | Q374 T378 I380 | L370-Q374 HydrophobicContact CD2-CB 4.48Å; L370-T378 WeakPolarHBondContact CD2-OG1 3.19Å; L370-I380 HydrophobicContact CD2-CD1 3.53Å; L370-I380 HydrophobicContact CD2-CG1 4.4Å; L370-I380 HydrophobicContact CG-CD1 4.16Å |
| 371 | T | 49.7 | Very low | 64.1 | Low | 60 Ų | 60 | 65.1 Ų | 65.1 | 37% | 0.368 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 148.7 | 170.1 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | L369 E373 Q374 | L369-T371 PolarHBondContact O-N 3.16Å; T371-E373 PolarHBondContact O-N 2.89Å; T371-Q374 PolarHBondContact O-N 3.48Å; T371-Q374 VanDerWaalsContact OG1-CD 3.29Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.4Å; T371-Q374 PolarHBondContact OG1-OE1 2.8Å |
| 372 | R | 46.9 | Very low | 63.9 | Low | 224 Ų | 224 | 63.8 Ų | 63.8 | 85% | 0.845 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.3 | -172.3 | -174.4 | 166.6 | 170.4 | 164.5 | -4.5 | 114.6 | Y375 | R372-Y375 HydrophobicContact CG-CE2 4.44Š|
| 373 | E | 48.1 | Very low | 63.8 | Low | 190 Ų | 190 | 63.3 Ų | 63.3 | 89% | 0.888 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -12.9 | 175.1 | -62.5 | -176.5 | 163.5 | 0 | 0 | 113.1 | T371 | T371-E373 PolarHBondContact O-N 2.89Š|
| 374 | Q | 49.9 | Very low | 63.5 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | trans | -93.7 | -2.5 | -172.9 | -69.6 | -179.2 | -20.3 | 0 | 0 | 115.1 | S348 L370 T371 N376 Y377 T378 | S348-Q374 PolarHBondContact O-NE2 2.81Å; L370-Q374 HydrophobicContact CD2-CB 4.48Å; T371-Q374 PolarHBondContact O-N 3.48Å; T371-Q374 VanDerWaalsContact OG1-CD 3.29Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.4Å; T371-Q374 PolarHBondContact OG1-OE1 2.8Å; Q374-N376 PolarHBondContact O-N 2.94Å; Q374-Y377 PolarHBondContact O-N 2.77Å; Q374-T378 HydrophobicContact CB-CG2 4.11Å; Q374-T378 HydrophobicContact CG-CG2 4.43Å; Q374-T378 PolarHBondContact O-OG1 3.23Å; Q374-T378 VanDerWaalsContact O-OG1 3.11Å | ||
| 375 | Y | 47.1 | Very low | 63.1 | Low | 108 Ų | 108 | 63.4 Ų | 63.4 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.8 | -174.3 | -92.5 | -75.5 | 0 | 0 | 0 | 116 | R372 | R372-Y375 HydrophobicContact CG-CE2 4.44Š|
| 376 | N | 46.3 | Very low | 62.6 | Low | 142 Ų | 142 | 63.8 Ų | 63.8 | 76% | 0.759 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -16 | -174.8 | -80.9 | -6.9 | 0 | 0 | 0 | 115 | Q374 | Q374-N376 PolarHBondContact O-N 2.94Š|
| 377 | Y | 41.3 | Very low | 62.1 | Low | 201 Ų | 201 | 66 Ų | 66 | 79% | 0.788 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -156.2 | 54.9 | -168.3 | -66.9 | -73.6 | 0 | 0 | 0 | 115.2 | Q374 | Q374-Y377 PolarHBondContact O-N 2.77Š|
| 378 | T | 48.7 | Very low | 61 | Low | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.135 | 31% | 0.31 | C | S | . | . | trans | -141.6 | 99.6 | 173.1 | 43.8 | 0 | 0 | 0 | 0 | 115 | M349 L370 Q374 I380 | M349-T378 HydrophobicContact CG-CG2 4.33Å; L370-T378 WeakPolarHBondContact CD2-OG1 3.19Å; Q374-T378 HydrophobicContact CB-CG2 4.11Å; Q374-T378 HydrophobicContact CG-CG2 4.43Å; Q374-T378 PolarHBondContact O-OG1 3.23Å; Q374-T378 VanDerWaalsContact O-OG1 3.11Å; T378-I380 PolarHBondContact O-N 3.17Å | ||
| 379 | Y | 54.4 | Low | 60.3 | Low | 164 Ų | 164 | 69 Ų | 69 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | trans | -74.9 | 87.7 | 169.2 | -57 | -83.5 | 0 | 0 | 0 | 110.4 | M349 N381 E408 | M349-Y379 WeakPolarHBondContact CE-O 3.49Å; Y379-N381 PolarHBondContact O-N 2.95Å; Y379-E408 WeakPolarHBondContact CA-OE2 3.34Å; Y379-E408 WeakPolarHBondContact CD1-OE2 3.41Å | ||
| 380 | I | 59.2 | Low | 59.9 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | trans | -89.6 | 108.7 | -179.6 | -55.6 | -173.1 | 0 | 0 | 0 | 110.8 | M349 A350 L370 T378 H382 | M349-I380 HydrophobicContact CE-CG1 4.11Å; A350-I380 HydrophobicContact CB-CD1 4.48Å; L370-I380 HydrophobicContact CD2-CD1 3.53Å; L370-I380 HydrophobicContact CD2-CG1 4.4Å; L370-I380 HydrophobicContact CG-CD1 4.16Å; T378-I380 PolarHBondContact O-N 3.17Å; I380-H382 PolarHBondContact O-N 3.19Å | ||
| 381 | N | 70.5 | Confident | 59.1 | Low | 25 Ų | 25 | 71.3 Ų | 71.3 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | trans | -72.9 | 112.8 | 170 | -60 | -26.6 | 0 | 0 | 0 | 109.7 | Y379 W405 F406 | Y379-N381 PolarHBondContact O-N 2.95Å; N381-W405 HydrophobicContact CB-CE3 3.69Å; N381-W405 HydrophobicContact CB-CZ3 3.92Å; N381-F406 PolarHBondContact OD1-O 3.34Å | ||
| 382 | H | 78.7 | Confident | 58.7 | Low | 20 Ų | 20 | 78 Ų | 78 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | trans | -88.6 | -14.8 | 179.7 | -68.6 | -65.3 | 0 | 0 | 0 | 114.2 | T365 A366 I380 N418 M437 | T365-H382 CarbonylContact C-O 3.49Å; T365-H382 VanDerWaalsContact CA-O 3.23Å; T365-H382 WeakPolarHBondContact CA-O 3.43Å; A366-H382 PolarHBondContact N-O 2.84Å; A366-H382 PolarHBondContact O-ND1 2.86Å; I380-H382 PolarHBondContact O-N 3.19Å; H382-N418 HydrophobicContact CB-CB 4.09Å; H382-N418 PolarHBondContact CD2-ND2 2.87Å; H382-N418 VanDerWaalsContact CD2-ND2 3.29Å; H382-N418 PolarHBondContact NE2-ND2 3.04Å; H382-M437 HydrophobicContact CB-SD 4.09Å | ||
| 383 | L | 84.2 | Confident | 58.3 | Low | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.6 | -178.3 | 179.6 | 66.6 | 0 | 0 | 0 | 110 | F363 T365 F406 V422 V435 M437 F471 | F363-L383 HydrophobicContact CB-CD1 4.21Å; F363-L383 HydrophobicContact CD1-CD1 4.38Å; T365-L383 HydrophobicContact CG2-CD1 4.25Å; L383-F406 HydrophobicContact CB-CB 4.11Å; L383-F406 HydrophobicContact CD2-CB 4.18Å; L383-F406 HydrophobicContact CD2-CD1 4.33Å; L383-F406 HydrophobicContact CD2-CD2 4.16Å; L383-F406 HydrophobicContact CD2-CG 3.93Å; L383-F406 HydrophobicContact CG-CB 4.28Å; L383-F406 HydrophobicContact CG-CD2 4.05Å; L383-F406 HydrophobicContact CG-CG 4.19Å; L383-F406 PolarHBondContact O-N 3.45Å; L383-V422 HydrophobicContact CD1-CG2 3.92Å; L383-V435 HydrophobicContact CD2-CG1 3.82Å; L383-V435 HydrophobicContact CD2-CG2 4.4Å; L383-M437 HydrophobicContact CB-SD 4.24Å; L383-F471 HydrophobicContact CD2-CD2 3.66Å; L383-F471 HydrophobicContact CD2-CE2 3.67Å; L383-F471 HydrophobicContact CD2-CG 4.22Å; L383-F471 HydrophobicContact CD2-CZ 4.21Å |
| 384 | V | 84.7 | Confident | 57.6 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.3 | -176.8 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | F355 F363 V364 I386 I403 W405 | F355-V384 HydrophobicContact CE2-CB 4.1Å; F355-V384 HydrophobicContact CE2-CG1 4.42Å; F355-V384 HydrophobicContact CE2-CG2 4Å; F363-V384 WeakPolarHBondContact CA-O 3.42Å; V364-V384 PolarHBondContact N-O 3.01Å; V364-V384 PolarHBondContact O-N 2.88Å; V384-I386 HydrophobicContact CG1-CG1 4.41Å; V384-I403 HydrophobicContact CG1-CG2 3.43Å; V384-I403 VanDerWaalsContact CG1-CG2 3.43Å; V384-W405 HydrophobicContact CG2-CE3 4.13Å; V384-W405 HydrophobicContact CG2-CZ3 4.01Å |
| 385 | G | 84.1 | Confident | 57.1 | Low | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | G362 I403 D404 | G362-G385 CarbonylContact O-C 3.59Å; G362-G385 WeakPolarHBondContact O-CA 3.28Å; G385-I403 CarbonylContact O-C 3.43Å; G385-I403 WeakPolarHBondContact O-CA 3.15Å; G385-D404 PolarHBondContact N-O 2.96Å; G385-D404 PolarHBondContact O-N 3.29Å |
| 386 | I | 80.4 | Confident | 56.7 | Low | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 110.7 | -176.2 | -66.4 | 165.8 | 0 | 0 | 0 | 109.4 | W310 I322 I338 G362 V364 V384 V388 Y400 | W310-I386 HydrophobicContact CH2-CB 4.02Å; W310-I386 HydrophobicContact CH2-CG2 3.86Å; W310-I386 HydrophobicContact CZ3-CB 4.13Å; W310-I386 HydrophobicContact CZ3-CD1 3.92Å; W310-I386 HydrophobicContact CZ3-CG2 4.11Å; I322-I386 HydrophobicContact CD1-CD1 3.56Å; I338-I386 HydrophobicContact CD1-CD1 3.98Å; I338-I386 HydrophobicContact CD1-CG2 3.93Å; G362-I386 PolarHBondContact O-N 2.95Å; V364-I386 HydrophobicContact CG2-CD1 3.46Å; V364-I386 VanDerWaalsContact CG2-CD1 3.46Å; V384-I386 HydrophobicContact CG1-CG1 4.41Å; I386-V388 HydrophobicContact CG2-CG2 4.4Å; I386-V388 PolarHBondContact O-N 2.9Å; I386-Y400 HydrophobicContact CG2-CD1 4.14Å; I386-Y400 HydrophobicContact CG2-CE1 4.28Å |
| 387 | N | 72.7 | Confident | 56.2 | Low | 48 Ų | 48 | 80.2 Ų | 80.2 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 103.7 | 172 | -62.3 | -73.9 | 0 | 0 | 0 | 109.6 | A389 G401 N402 D404 K433 | N387-A389 PolarHBondContact O-N 3.5Å; N387-G401 PolarHBondContact O-N 2.8Å; N387-N402 VanDerWaalsContact CB-O 3.29Å; N387-N402 WeakPolarHBondContact CB-O 3.47Å; N387-N402 PolarHBondContact N-O 2.8Å; N387-N402 PolarHBondContact ND2-O 2.79Å; N387-N402 PolarHBondContact O-N 2.77Å; N387-D404 PolarHBondContact ND2-OD1 3.27Å; N387-D404 PolarHBondContact ND2-OD2 3.16Å; N387-K433 PolarHBondContact OD1-NZ 3.42Å |
| 388 | V | 58.5 | Low | 56.1 | Low | 34 Ų | 34 | 73 Ų | 73 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 116.4 | 165.4 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | W310 I324 I386 Y400 | W310-V388 HydrophobicContact CH2-CG2 4.05Å; W310-V388 HydrophobicContact CZ2-CG2 4.04Å; I324-V388 HydrophobicContact CD1-CG2 4.21Å; I386-V388 HydrophobicContact CG2-CG2 4.4Å; I386-V388 PolarHBondContact O-N 2.9Å; V388-Y400 HydrophobicContact CG2-CD1 4.34Å; V388-Y400 HydrophobicContact CG2-CE1 4.2Å |
| 389 | A | 50.3 | Low | 55.6 | Low | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | trans | -70.9 | 140.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N387 S391 F399 | N387-A389 PolarHBondContact O-N 3.5Å; A389-S391 PolarHBondContact O-N 2.96Å; A389-F399 WeakPolarHBondContact CB-O 3.44Å; A389-F399 PolarHBondContact N-O 2.78Å; A389-F399 VanDerWaalsContact N-O 3.14Å | ||
| 390 | K | 48.9 | Very low | 55.2 | Low | 126 Ų | 126 | 73.9 Ų | 73.9 | 55% | 0.548 | 35% | 0.352 | S | S | . | . | trans | -74.5 | 87.9 | 166.4 | -59.7 | -171.8 | -167 | -172.5 | 0 | 108.9 | D288 Y392 | D288-K390 IonicContact OD1-NZ 2.7Å; D288-K390 WeakPolarHBondContact OD2-CE 3.42Å; D288-K390 IonicContact OD2-NZ 3.91Å; D288-K390 PolarHBondContact OD2-NZ 3.32Å; K390-Y392 HydrophobicContact CB-CD2 4.3Å; K390-Y392 HydrophobicContact CB-CE2 4.15Å; K390-Y392 HydrophobicContact CD-CE2 4.44Å; K390-Y392 PolarHBondContact O-N 2.92Å | ||
| 391 | S | 37.5 | Very low | 54.8 | Low | 47 Ų | 47 | 76 Ų | 76 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | trans | -72 | 94.6 | 169.2 | -167.5 | 0 | 0 | 0 | 0 | 109.7 | A389 R393 D394 | A389-S391 PolarHBondContact O-N 2.96Å; S391-R393 PolarHBondContact O-N 3.29Å; S391-D394 WeakPolarHBondContact OG-CB 3.33Å; S391-D394 PolarHBondContact OG-N 2.71Å | ||
| 392 | Y | 40.1 | Very low | 54.3 | Low | 200 Ų | 200 | 79.4 Ų | 79.4 | 78% | 0.784 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -66.5 | -18.7 | 173.3 | -84.5 | -83.8 | 0 | 0 | 0 | 113.1 | K390 | K390-Y392 HydrophobicContact CB-CD2 4.3Å; K390-Y392 HydrophobicContact CB-CE2 4.15Å; K390-Y392 HydrophobicContact CD-CE2 4.44Å; K390-Y392 PolarHBondContact O-N 2.92Å |
| 393 | R | 38.1 | Very low | 53.7 | Low | 241 Ų | 241 | 80.8 Ų | 80.8 | 91% | 0.909 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -98.5 | -39.3 | -179.1 | -81 | -174.6 | 169.6 | 172.9 | -2.2 | 113.6 | S391 K395 | S391-R393 PolarHBondContact O-N 3.29Å; R393-K395 PolarHBondContact O-N 2.84Å |
| 394 | D | 34.7 | Very low | 52.9 | Low | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | trans | -96.4 | 94.5 | 176.7 | -65.2 | -34.4 | 0 | 0 | 0 | 110.8 | S391 F396 N397 | S391-D394 WeakPolarHBondContact OG-CB 3.33Å; S391-D394 PolarHBondContact OG-N 2.71Å; D394-F396 PolarHBondContact O-N 3.32Å; D394-N397 HydrophobicContact CB-CB 4.22Å | ||
| 395 | K | 38.1 | Very low | 51.9 | Low | 190 Ų | 190 | 84.8 Ų | 84.8 | 83% | 0.826 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -0.9 | 169.7 | -86.4 | -169.7 | 172.2 | -173.4 | 0 | 115.1 | R393 | R393-K395 PolarHBondContact O-N 2.84Š|
| 396 | F | 39.5 | Very low | 51.1 | Low | 148 Ų | 148 | 85 Ų | 85 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | -19.3 | -170.9 | -70.4 | -72.1 | 0 | 0 | 0 | 115.7 | K334 D394 | K334-F396 PolarHBondContact NZ-O 3.14Å; D394-F396 PolarHBondContact O-N 3.32Å |
| 397 | N | 36.5 | Very low | 50.1 | Low | 83 Ų | 83 | 86.9 Ų | 86.9 | 44% | 0.444 | 43% | 0.429 | S | S | . | . | trans | -117.8 | 99.2 | -177.2 | -72 | -7.2 | 0 | 0 | 0 | 110.6 | D394 F399 | D394-N397 HydrophobicContact CB-CB 4.22Å; N397-F399 HydrophobicContact CB-CD2 3.93Å; N397-F399 HydrophobicContact CB-CE2 3.8Å; N397-F399 PolarHBondContact O-N 3.26Å | ||
| 398 | G | 38.1 | Very low | 49.2 | Very low | 49 Ų | 49 | 87 Ų | 87 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | trans | -70.2 | 80.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 399 | F | 39.6 | Very low | 49.4 | Very low | 133 Ų | 133 | 85.7 Ų | 85.7 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | trans | -65.2 | 140.5 | 166.8 | -80.2 | -83.8 | 0 | 0 | 0 | 109.8 | A389 N397 | A389-F399 WeakPolarHBondContact CB-O 3.44Å; A389-F399 PolarHBondContact N-O 2.78Å; A389-F399 VanDerWaalsContact N-O 3.14Å; N397-F399 HydrophobicContact CB-CD2 3.93Å; N397-F399 HydrophobicContact CB-CE2 3.8Å; N397-F399 PolarHBondContact O-N 3.26Å | ||
| 400 | Y | 45.9 | Very low | 49.5 | Very low | 71 Ų | 71 | 90.7 Ų | 90.7 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137.7 | 168.2 | -63.8 | -60.3 | 0 | 0 | 0 | 109.9 | I324 T336 I338 I386 V388 | I324-Y400 HydrophobicContact CD1-CE1 3.74Å; I324-Y400 WeakPolarHBondContact CD1-OH 3.44Å; T336-Y400 VanDerWaalsContact CB-OH 3.31Å; T336-Y400 WeakPolarHBondContact CB-OH 3.36Å; T336-Y400 HydrophobicContact CG2-CD2 4.46Å; T336-Y400 HydrophobicContact CG2-CE2 3.39Å; T336-Y400 VanDerWaalsContact CG2-CZ 3.5Å; T336-Y400 WeakPolarHBondContact CG2-OH 3.3Å; T336-Y400 PolarHBondContact O-OH 2.96Å; I338-Y400 HydrophobicContact CD1-CD1 4.02Å; I338-Y400 HydrophobicContact CD1-CD2 4.19Å; I338-Y400 HydrophobicContact CD1-CE1 3.44Å; I338-Y400 VanDerWaalsContact CD1-CE1 3.44Å; I338-Y400 HydrophobicContact CD1-CE2 3.59Å; I338-Y400 HydrophobicContact CD1-CG 4.37Å; I338-Y400 VanDerWaalsContact CD1-OH 3.32Å; I338-Y400 WeakPolarHBondContact CD1-OH 3.31Å; I338-Y400 HydrophobicContact CG1-CD2 4.1Å; I338-Y400 HydrophobicContact CG1-CE1 4.19Å; I338-Y400 HydrophobicContact CG1-CE2 3.36Å; I338-Y400 VanDerWaalsContact CG1-CZ 3.44Å; I338-Y400 WeakPolarHBondContact CG1-OH 3.33Å; I386-Y400 HydrophobicContact CG2-CD1 4.14Å; I386-Y400 HydrophobicContact CG2-CE1 4.28Å; V388-Y400 HydrophobicContact CG2-CD1 4.34Å; V388-Y400 HydrophobicContact CG2-CE1 4.2Å |
| 401 | G | 49.5 | Very low | 49.6 | Very low | 49 Ų | 49 | 87.2 Ų | 87.2 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -62.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N387 | N387-G401 PolarHBondContact O-N 2.8Å |
| 402 | N | 60.7 | Low | 50.1 | Low | 97 Ų | 97 | 89.1 Ų | 89.1 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.5 | -177.3 | -163.6 | 20.8 | 0 | 0 | 0 | 111.7 | N387 | N387-N402 VanDerWaalsContact CB-O 3.29Å; N387-N402 WeakPolarHBondContact CB-O 3.47Å; N387-N402 PolarHBondContact N-O 2.8Å; N387-N402 PolarHBondContact ND2-O 2.79Å; N387-N402 PolarHBondContact O-N 2.77Å |
| 403 | I | 65.2 | Low | 50.9 | Low | 49 Ų | 49 | 81.7 Ų | 81.7 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.7 | 174.2 | -64.6 | 175.6 | 0 | 0 | 0 | 108 | P341 V384 G385 | P341-I403 HydrophobicContact CB-CD1 4.4Å; P341-I403 HydrophobicContact CG-CD1 3.83Å; P341-I403 HydrophobicContact CG-CG2 4.34Å; V384-I403 HydrophobicContact CG1-CG2 3.43Å; V384-I403 VanDerWaalsContact CG1-CG2 3.43Å; G385-I403 CarbonylContact O-C 3.43Å; G385-I403 WeakPolarHBondContact O-CA 3.15Å |
| 404 | D | 68.5 | Low | 51.7 | Low | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.7 | 178.8 | -66.1 | -24.1 | 0 | 0 | 0 | 108.9 | G385 N387 F406 K433 Q473 | G385-D404 PolarHBondContact N-O 2.96Å; G385-D404 PolarHBondContact O-N 3.29Å; N387-D404 PolarHBondContact ND2-OD1 3.27Å; N387-D404 PolarHBondContact ND2-OD2 3.16Å; D404-F406 HydrophobicContact CB-CE2 4.2Å; D404-K433 IonicContact OD2-NZ 3.57Å; D404-K433 PolarHBondContact OD2-NZ 3.34Å; D404-Q473 PolarHBondContact OD2-NE2 3.04Å |
| 405 | W | 62.2 | Low | 53.3 | Low | 83 Ų | 83 | 73.7 Ų | 73.7 | 31% | 0.314 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.6 | 176.8 | -64 | 99.4 | 0 | 0 | 0 | 111.1 | P341 T343 N381 V384 T489 | P341-W405 HydrophobicContact CB-CH2 3.72Å; P341-W405 HydrophobicContact CB-CZ2 3.7Å; P341-W405 HydrophobicContact CG-CH2 4.07Å; P341-W405 HydrophobicContact CG-CZ2 4.27Å; T343-W405 HydrophobicContact CG2-CH2 3.58Å; T343-W405 HydrophobicContact CG2-CZ2 4.07Å; T343-W405 HydrophobicContact CG2-CZ3 3.98Å; N381-W405 HydrophobicContact CB-CE3 3.69Å; N381-W405 HydrophobicContact CB-CZ3 3.92Å; V384-W405 HydrophobicContact CG2-CE3 4.13Å; V384-W405 HydrophobicContact CG2-CZ3 4.01Å; W405-T489 PolarHBondContact O-OG1 2.85Å; W405-T489 VanDerWaalsContact O-OG1 3.07Å |
| 406 | F | 69.3 | Low | 55.2 | Low | 3 Ų | 3 | 65.3 Ų | 65.3 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 139.2 | 171.7 | -69 | -94.5 | 0 | 0 | 0 | 109.4 | F363 N381 L383 D404 F471 T489 | F363-F406 HydrophobicContact CD1-CE2 4.12Å; F363-F406 AromaticContact CE1-CE2 3.6Å; F363-F406 HydrophobicContact CE1-CE2 3.6Å; F363-F406 AromaticContact CE1-CZ 3.64Å; F363-F406 HydrophobicContact CE1-CZ 3.64Å; F363-F406 HydrophobicContact CZ-CZ 4.44Å; N381-F406 PolarHBondContact OD1-O 3.34Å; L383-F406 HydrophobicContact CB-CB 4.11Å; L383-F406 HydrophobicContact CD2-CB 4.18Å; L383-F406 HydrophobicContact CD2-CD1 4.33Å; L383-F406 HydrophobicContact CD2-CD2 4.16Å; L383-F406 HydrophobicContact CD2-CG 3.93Å; L383-F406 HydrophobicContact CG-CB 4.28Å; L383-F406 HydrophobicContact CG-CD2 4.05Å; L383-F406 HydrophobicContact CG-CG 4.19Å; L383-F406 PolarHBondContact O-N 3.45Å; D404-F406 HydrophobicContact CB-CE2 4.2Å; F406-F471 HydrophobicContact CB-CD1 4.19Å; F406-F471 HydrophobicContact CB-CE1 4.06Å; F406-F471 HydrophobicContact CD1-CB 3.7Å; F406-F471 AromaticContact CD1-CD1 3.57Å; F406-F471 HydrophobicContact CD1-CD1 3.57Å; F406-F471 HydrophobicContact CD1-CE1 4.29Å; F406-F471 AromaticContact CD1-CG 3.79Å; F406-F471 HydrophobicContact CD1-CG 3.79Å; F406-F471 HydrophobicContact CE1-CB 3.76Å; F406-F471 HydrophobicContact CE1-CD1 4.47Å; F406-F471 HydrophobicContact CE1-CG 4.35Å; F406-F471 HydrophobicContact CG-CD1 4.28Å; F406-T489 HydrophobicContact CD1-CG2 4.17Å; F406-T489 HydrophobicContact CE1-CG2 3.67Å; F406-T489 HydrophobicContact CZ-CG2 3.98Å |
| 407 | P | 57.5 | Low | 57.3 | Low | 48 Ų | 48 | 58.3 Ų | 58.3 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -69 | 162.3 | -168 | 28.5 | -36.9 | 0 | 0 | 0 | 113 | T489 I491 | P407-T489 WeakPolarHBondContact CD-O 3.46Å; P407-T489 WeakPolarHBondContact CG-O 3.41Å; P407-I491 HydrophobicContact CG-CG1 4.43Å |
| 408 | E | 55 | Low | 59.6 | Low | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 143.9 | 175.4 | -169.4 | -171.6 | 160.6 | 0 | 0 | 112 | Y379 S411 | Y379-E408 WeakPolarHBondContact CA-OE2 3.34Å; Y379-E408 WeakPolarHBondContact CD1-OE2 3.41Å; E408-S411 VanDerWaalsContact OE1-CB 3.3Å; E408-S411 WeakPolarHBondContact OE1-CB 3.44Å; E408-S411 PolarHBondContact OE1-OG 2.96Å |
| 409 | I | 62 | Low | 62 | Low | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -99 | 120.2 | 170.5 | -67.1 | 160.5 | 0 | 0 | 0 | 107.6 | S411 M437 Y469 F471 I491 | I409-S411 PolarHBondContact O-N 3.41Å; I409-M437 HydrophobicContact CD1-CE 3.29Å; I409-M437 HydrophobicContact CD1-SD 4.32Å; I409-Y469 HydrophobicContact CD1-CD1 4.36Å; I409-Y469 HydrophobicContact CD1-CD2 3.91Å; I409-Y469 HydrophobicContact CD1-CE1 4.43Å; I409-Y469 HydrophobicContact CD1-CE2 3.98Å; I409-Y469 HydrophobicContact CD1-CG 4.11Å; I409-Y469 HydrophobicContact CG1-CD1 4.29Å; I409-Y469 HydrophobicContact CG1-CE1 4.16Å; I409-Y469 HydrophobicContact CG2-CE1 3.65Å; I409-Y469 HydrophobicContact CG2-CE2 3.89Å; I409-Y469 WeakPolarHBondContact CG2-OH 3.46Å; I409-F471 HydrophobicContact CD1-CZ 4.34Å; I409-I491 HydrophobicContact CB-CD1 4.49Å; I409-I491 HydrophobicContact CG1-CD1 3.71Å |
| 410 | N | 52.9 | Low | 64.5 | Low | 144 Ų | 144 | 48 Ų | 48 | 77% | 0.77 | 26% | 0.264 | S | S | * | . | trans | -37.9 | 117.9 | -173.4 | -87.9 | -13.4 | 0 | 0 | 0 | 114.8 | T412 | N410-T412 PolarHBondContact O-N 2.84Š| ||
| 411 | S | 50.3 | Low | 66.8 | Low | 52 Ų | 52 | 45.1 Ų | 45.1 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -91.3 | 62 | -165.6 | 41.7 | 0 | 0 | 0 | 0 | 114.3 | E408 I409 | E408-S411 VanDerWaalsContact OE1-CB 3.3Å; E408-S411 WeakPolarHBondContact OE1-CB 3.44Å; E408-S411 PolarHBondContact OE1-OG 2.96Å; I409-S411 PolarHBondContact O-N 3.41Å | ||
| 412 | T | 49.1 | Very low | 69 | Low | 87 Ų | 87 | 43.5 Ų | 43.5 | 53% | 0.534 | 23% | 0.234 | S | C | . | . | trans | -91.5 | -5.3 | 179.5 | 76.2 | 0 | 0 | 0 | 0 | 116.2 | N410 K448 | N410-T412 PolarHBondContact O-N 2.84Å; T412-K448 PolarHBondContact O-NZ 3.39Å; T412-K448 PolarHBondContact OG1-NZ 3.12Å | ||
| 413 | D | 55.5 | Low | 70.6 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -136.9 | 144.3 | -177.9 | -68 | -55.5 | 0 | 0 | 0 | 110.3 | F415 N416 K448 | D413-F415 VanDerWaalsContact C-N 3.31Å; D413-F415 PolarHBondContact O-N 3.25Å; D413-N416 VanDerWaalsContact CB-OD1 3.26Å; D413-N416 WeakPolarHBondContact CB-OD1 3.3Å; D413-K448 VanDerWaalsContact CG-NZ 3.28Å; D413-K448 IonicContact OD1-NZ 3.81Å; D413-K448 PolarHBondContact OD1-NZ 2.98Å; D413-K448 IonicContact OD2-NZ 3.54Å; D413-K448 PolarHBondContact OD2-NZ 3.26Å |
| 414 | P | 55.7 | Low | 71.8 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 44% | 0.442 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -69.1 | -24 | -167.7 | 25.1 | -34.1 | 0 | 0 | 0 | 114.5 | ||
| 415 | F | 68.6 | Low | 72.9 | Confident | 84 Ų | 84 | 40.1 Ų | 40.1 | 37% | 0.368 | 21% | 0.212 | S | C | . | . | trans | -159.3 | 97.2 | 179 | -175.2 | -110.8 | 0 | 0 | 0 | 112.2 | L369 D413 M420 Y441 | L369-F415 HydrophobicContact CD1-CB 4.28Å; L369-F415 HydrophobicContact CD1-CD2 4.24Å; L369-F415 HydrophobicContact CD1-CG 4.39Å; D413-F415 VanDerWaalsContact C-N 3.31Å; D413-F415 PolarHBondContact O-N 3.25Å; F415-M420 HydrophobicContact CZ-SD 4.44Å; F415-Y441 AromaticContact CD1-CD2 3.88Å; F415-Y441 HydrophobicContact CD1-CD2 3.88Å; F415-Y441 AromaticContact CE1-CD2 3.3Å; F415-Y441 HydrophobicContact CE1-CD2 3.3Å; F415-Y441 AromaticContact CE1-CE2 3.58Å; F415-Y441 HydrophobicContact CE1-CE2 3.58Å; F415-Y441 HydrophobicContact CE1-CG 4.34Å; F415-Y441 HydrophobicContact CZ-CD2 4.06Å; F415-Y441 HydrophobicContact CZ-CE2 4.15Å | ||
| 416 | N | 77.8 | Confident | 74.2 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | trans | -91.5 | 0.1 | 175.2 | -72 | -15.9 | 0 | 0 | 0 | 113.7 | D413 N418 A439 Y441 A442 | D413-N416 VanDerWaalsContact CB-OD1 3.26Å; D413-N416 WeakPolarHBondContact CB-OD1 3.3Å; N416-N418 VanDerWaalsContact C-N 3.31Å; N416-A439 CarbonylContact O-C 3.57Å; N416-A439 WeakPolarHBondContact O-CA 3.23Å; N416-Y441 CarbonylContact O-C 3.42Å; N416-Y441 WeakPolarHBondContact O-CA 3.25Å; N416-Y441 PolarHBondContact O-N 2.83Å; N416-A442 HydrophobicContact CB-CB 4.34Å; N416-A442 PolarHBondContact O-N 2.7Å | ||
| 417 | G | 83.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | 69.8 | 25.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G419 M420 | G417-G419 PolarHBondContact O-N 2.98Å; G417-M420 WeakPolarHBondContact O-CB 3.23Å; G417-M420 WeakPolarHBondContact O-CG 3.46Å; G417-M420 PolarHBondContact O-N 3.49Å | ||
| 418 | N | 85.5 | Confident | 76.2 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 113.4 | 176.9 | -73.7 | -14.6 | 0 | 0 | 0 | 111.2 | P367 H382 N416 M437 A439 | P367-N418 WeakPolarHBondContact CA-O 3.39Å; P367-N418 WeakPolarHBondContact CB-O 3.37Å; H382-N418 HydrophobicContact CB-CB 4.09Å; H382-N418 PolarHBondContact CD2-ND2 2.87Å; H382-N418 VanDerWaalsContact CD2-ND2 3.29Å; H382-N418 PolarHBondContact NE2-ND2 3.04Å; N416-N418 VanDerWaalsContact C-N 3.31Å; N418-M437 HydrophobicContact CB-CE 3.82Å; N418-A439 WeakPolarHBondContact OD1-CB 3.33Å |
| 419 | G | 87.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 14.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T365 G417 S421 M437 G438 | T365-G419 WeakPolarHBondContact CB-O 3.36Å; T365-G419 WeakPolarHBondContact CG2-O 3.46Å; T365-G419 PolarHBondContact OG1-O 3.47Å; G417-G419 PolarHBondContact O-N 2.98Å; G419-S421 PolarHBondContact O-N 2.95Å; G419-M437 VanDerWaalsContact CA-SD 3.58Å; G419-M437 PolarHBondContact N-SD 3.09Å; G419-M437 VanDerWaalsContact N-SD 3.41Å; G419-G438 PolarHBondContact N-O 2.74Å |
| 420 | M | 91.2 | Very high | 77.5 | Confident | 33 Ų | 33 | 50 Ų | 50 | 16% | 0.163 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -63.8 | -28.7 | 170.3 | -71.2 | -76.6 | -60.9 | 0 | 0 | 112.2 | Y357 F415 G417 P440 Y441 | Y357-M420 HydrophobicContact CD1-SD 4.32Å; Y357-M420 HydrophobicContact CE1-CB 4.26Å; Y357-M420 HydrophobicContact CE1-CE 3.89Å; Y357-M420 HydrophobicContact CE1-CG 4.45Å; Y357-M420 WeakPolarHBondContact CE1-O 3.41Å; Y357-M420 HydrophobicContact CE1-SD 3.56Å; Y357-M420 VanDerWaalsContact CE1-SD 3.56Å; Y357-M420 HydrophobicContact CE2-SD 4.34Å; Y357-M420 VanDerWaalsContact CZ-SD 3.58Å; Y357-M420 WeakPolarHBondContact OH-CE 3.31Å; F415-M420 HydrophobicContact CZ-SD 4.44Å; G417-M420 WeakPolarHBondContact O-CB 3.23Å; G417-M420 WeakPolarHBondContact O-CG 3.46Å; G417-M420 PolarHBondContact O-N 3.49Å; M420-P440 HydrophobicContact CB-CG 4.11Å; M420-P440 HydrophobicContact CG-CG 4.29Å; M420-Y441 HydrophobicContact CE-CE2 4.08Å; M420-Y441 HydrophobicContact CG-CE2 4.37Å; M420-Y441 HydrophobicContact SD-CE2 4.42Å |
| 421 | S | 95 | Very high | 78.5 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.1 | 173.4 | 66 | 0 | 0 | 0 | 0 | 110.4 | G419 G438 G505 F506 L508 | G419-S421 PolarHBondContact O-N 2.95Å; S421-G438 PolarHBondContact O-N 2.88Å; S421-G438 WeakPolarHBondContact OG-CA 2.99Å; S421-G438 PolarHBondContact OG-N 3.42Å; S421-G505 PolarHBondContact OG-O 2.86Å; S421-F506 WeakPolarHBondContact CB-O 3.38Å; S421-L508 WeakPolarHBondContact OG-CD1 3.26Å |
| 422 | V | 95 | Very high | 79.6 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.9 | 177.8 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | A358 T360 F363 T365 L383 V435 I436 | A358-V422 HydrophobicContact CB-CG1 3.89Å; T360-V422 HydrophobicContact CG2-CB 4.47Å; T360-V422 HydrophobicContact CG2-CG1 3.96Å; T360-V422 HydrophobicContact CG2-CG2 3.88Å; F363-V422 HydrophobicContact CB-CG2 4.49Å; T365-V422 HydrophobicContact CG2-CB 3.71Å; T365-V422 HydrophobicContact CG2-CG1 4.03Å; T365-V422 HydrophobicContact CG2-CG2 4.16Å; L383-V422 HydrophobicContact CD1-CG2 3.92Å; V422-V435 HydrophobicContact CG2-CG2 3.62Å; V422-I436 CarbonylContact C-O 3.54Å; V422-I436 VanDerWaalsContact CA-O 3.32Å; V422-I436 WeakPolarHBondContact CA-O 3.24Å; V422-I436 WeakPolarHBondContact CG2-O 3.08Å |
| 423 | L | 94.6 | Very high | 81 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 133.1 | -176.8 | -174.7 | 71.5 | 0 | 0 | 0 | 110.8 | V425 V435 I436 L508 T509 N510 V522 S572 | L423-V425 HydrophobicContact CD2-CG1 4.12Å; L423-V425 HydrophobicContact CG-CG1 4.35Å; L423-V435 CarbonylContact O-C 3.57Å; L423-V435 WeakPolarHBondContact O-CA 3.37Å; L423-V435 WeakPolarHBondContact O-CG2 3.43Å; L423-I436 HydrophobicContact CB-CB 4.5Å; L423-I436 PolarHBondContact N-O 2.92Å; L423-I436 PolarHBondContact O-N 3.31Å; L423-L508 HydrophobicContact CB-CB 3.85Å; L423-L508 HydrophobicContact CB-CD1 4.04Å; L423-L508 HydrophobicContact CD2-CB 4.08Å; L423-L508 HydrophobicContact CG-CB 4.44Å; L423-T509 VanDerWaalsContact CD2-C 3.41Å; L423-T509 WeakPolarHBondContact CD2-O 3.07Å; L423-N510 HydrophobicContact CD1-CB 3.95Å; L423-N510 HydrophobicContact CD2-CB 4.07Å; L423-N510 HydrophobicContact CG-CB 4.25Å; L423-V522 HydrophobicContact CD2-CB 4.28Å; L423-V522 HydrophobicContact CD2-CG1 3.65Å; L423-S572 WeakPolarHBondContact CD1-O 3.3Å |
| 424 | R | 91.4 | Very high | 82.6 | Confident | 77 Ų | 77 | 42 Ų | 42 | 29% | 0.291 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137 | 171.4 | -169.7 | 177.3 | 177.3 | -134.3 | -13.6 | 110.3 | T360 D361 F363 N510 | T360-R424 HydrophobicContact CG2-CB 4.1Å; D361-R424 IonicContact OD2-CZ 2.77Å; D361-R424 IonicContact OD2-NH1 2.63Å; D361-R424 PolarHBondContact OD2-NH1 2.96Å; F363-R424 HydrophobicContact CE2-CG 4.41Å; R424-N510 PolarHBondContact O-ND2 3.17Å |
| 425 | V | 92.1 | Very high | 84.3 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149.2 | 179.9 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | L423 S434 I436 D520 V522 I543 | L423-V425 HydrophobicContact CD2-CG1 4.12Å; L423-V425 HydrophobicContact CG-CG1 4.35Å; V425-S434 PolarHBondContact N-O 3.46Å; V425-S434 WeakPolarHBondContact O-CB 3.4Å; V425-I436 HydrophobicContact CG1-CD1 3.95Å; V425-I436 HydrophobicContact CG2-CD1 4.28Å; V425-I436 HydrophobicContact CG2-CG1 4.42Å; V425-D520 HydrophobicContact CB-CB 4.08Å; V425-D520 HydrophobicContact CG1-CB 4.36Å; V425-V522 HydrophobicContact CG1-CG1 3.59Å; V425-I543 HydrophobicContact CB-CD1 4.08Å; V425-I543 HydrophobicContact CG1-CD1 4Å; V425-I543 HydrophobicContact CG2-CD1 3.8Å |
| 426 | H | 89.6 | Confident | 85.5 | Confident | 121 Ų | 121 | 34.9 Ų | 34.9 | 56% | 0.56 | 18% | 0.183 | S | C | * | . | trans | -95.7 | 131 | 171.5 | -173.4 | 65.9 | 0 | 0 | 0 | 110.1 | D520 | H426-D520 WeakPolarHBondContact CB-OD2 3.39Å; H426-D520 PolarHBondContact N-OD2 3.28Å; H426-D520 PolarHBondContact O-N 3.31Å | ||
| 427 | L | 86.7 | Confident | 86.2 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -128.4 | 140.5 | 175 | -57.4 | -179.9 | 0 | 0 | 0 | 109.5 | G429 Y431 S434 C472 N519 I543 C547 | L427-G429 PolarHBondContact O-N 3.02Å; L427-Y431 HydrophobicContact CB-CD2 4.42Å; L427-S434 WeakPolarHBondContact CD1-OG 3.47Å; L427-C472 WeakPolarHBondContact CD1-SG 3.13Å; L427-N519 HydrophobicContact CD2-CB 3.85Å; L427-I543 HydrophobicContact CD1-CG2 3.86Å; L427-I543 HydrophobicContact CD2-CB 3.65Å; L427-I543 HydrophobicContact CD2-CD1 4.13Å; L427-I543 HydrophobicContact CD2-CG2 3.47Å; L427-I543 VanDerWaalsContact CD2-CG2 3.47Å; L427-I543 HydrophobicContact CG-CG2 4.34Å; L427-C547 HydrophobicContact CD1-CB 4.38Å | ||
| 428 | K | 80.7 | Confident | 86.6 | Confident | 136 Ų | 136 | 34.1 Ų | 34.1 | 59% | 0.591 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -76.8 | 121 | 176.6 | -174.7 | 178.9 | -178.9 | 179.9 | 0 | 110.5 | N519 | K428-N519 WeakPolarHBondContact CB-OD1 3.38Å; K428-N519 PolarHBondContact N-OD1 3.21Å |
| 429 | G | 74.3 | Confident | 86.9 | Confident | 53 Ų | 53 | 33.4 Ų | 33.4 | 55% | 0.546 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 151.4 | -156.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L427 Y431 | L427-G429 PolarHBondContact O-N 3.02Å; G429-Y431 PolarHBondContact O-N 3.18Å; G429-Y431 VanDerWaalsContact O-N 3.17Å |
| 430 | P | 70.6 | Confident | 87.1 | Confident | 85 Ų | 85 | 33.4 Ų | 33.4 | 55% | 0.552 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -77.8 | 12.4 | 178.2 | 35 | -37.2 | 0 | 0 | 0 | 113.4 | S474 D475 | P430-S474 CarbonylContact O-C 3.56Å; P430-S474 VanDerWaalsContact O-CA 3.3Å; P430-S474 WeakPolarHBondContact O-CA 3.33Å; P430-D475 PolarHBondContact O-N 3.37Å |
| 431 | Y | 73.7 | Confident | 87 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 19% | 0.188 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.5 | -172.9 | -52.9 | -69.7 | 0 | 0 | 0 | 111.2 | L427 G429 C472 Q473 I492 C547 | L427-Y431 HydrophobicContact CB-CD2 4.42Å; G429-Y431 PolarHBondContact O-N 3.18Å; G429-Y431 VanDerWaalsContact O-N 3.17Å; Y431-C472 HydrophobicContact CD1-CB 3.37Å; Y431-C472 HydrophobicContact CE1-CB 3.73Å; Y431-C472 HydrophobicContact CG-CB 3.89Å; Y431-Q473 CarbonylContact C-O 3.57Å; Y431-Q473 WeakPolarHBondContact CA-O 3.4Å; Y431-I492 HydrophobicContact CE1-CD1 4.46Å; Y431-C547 HydrophobicContact CE1-CB 4.09Å; Y431-C547 HydrophobicContact CE2-CB 4.08Å |
| 432 | I | 73.8 | Confident | 86.5 | Confident | 74 Ų | 74 | 34 Ų | 34 | 38% | 0.379 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -26.7 | 177.8 | 46.2 | 164.4 | 0 | 0 | 0 | 112.9 | Q473 D475 | I432-Q473 HydrophobicContact CD1-CG 4.14Å; I432-Q473 HydrophobicContact CG1-CB 4.32Å; I432-Q473 HydrophobicContact CG1-CG 4.21Å; I432-Q473 VanDerWaalsContact CG1-O 3.23Å; I432-Q473 WeakPolarHBondContact CG1-O 3.49Å; I432-Q473 PolarHBondContact N-O 2.83Å; I432-D475 HydrophobicContact CG2-CB 3.78Å |
| 433 | K | 77.2 | Confident | 85.6 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 15% | 0.148 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 134 | 175.2 | -50.8 | -178.4 | -160.3 | 155.4 | 0 | 109.4 | F363 N387 D404 C472 Q473 | F363-K433 HydrophobicContact CE2-CB 4.31Å; F363-K433 HydrophobicContact CE2-CD 4.18Å; F363-K433 HydrophobicContact CZ-CB 3.89Å; F363-K433 HydrophobicContact CZ-CD 3.67Å; F363-K433 HydrophobicContact CZ-CG 4.4Å; N387-K433 PolarHBondContact OD1-NZ 3.42Å; D404-K433 IonicContact OD2-NZ 3.57Å; D404-K433 PolarHBondContact OD2-NZ 3.34Å; K433-C472 CarbonylContact O-C 3.59Å; K433-C472 WeakPolarHBondContact O-CA 3.3Å; K433-Q473 HydrophobicContact CB-CB 4.37Å; K433-Q473 VanDerWaalsContact CD-OE1 3.27Å; K433-Q473 PolarHBondContact O-N 2.87Å |
| 434 | S | 88.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.1 | 170.5 | -55.5 | 0 | 0 | 0 | 0 | 108.6 | V425 L427 F471 C472 | V425-S434 PolarHBondContact N-O 3.46Å; V425-S434 WeakPolarHBondContact O-CB 3.4Å; L427-S434 WeakPolarHBondContact CD1-OG 3.47Å; S434-F471 WeakPolarHBondContact CA-O 3.15Å; S434-C472 PolarHBondContact OG-SG 2.91Å; S434-C472 VanDerWaalsContact OG-SG 3.33Å |
| 435 | V | 91.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138 | -174 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | F363 L383 V422 L423 F471 | F363-V435 HydrophobicContact CB-CG2 4.3Å; F363-V435 HydrophobicContact CD1-CB 4.4Å; F363-V435 HydrophobicContact CD1-CG1 4.1Å; F363-V435 HydrophobicContact CD1-CG2 4.27Å; F363-V435 HydrophobicContact CD2-CB 4.16Å; F363-V435 HydrophobicContact CD2-CG2 4.04Å; F363-V435 HydrophobicContact CE1-CB 4.27Å; F363-V435 HydrophobicContact CE1-CG1 3.79Å; F363-V435 HydrophobicContact CE2-CB 4.03Å; F363-V435 HydrophobicContact CE2-CG1 4.39Å; F363-V435 HydrophobicContact CE2-CG2 4.42Å; F363-V435 HydrophobicContact CG-CB 4.34Å; F363-V435 HydrophobicContact CG-CG2 3.95Å; F363-V435 HydrophobicContact CZ-CB 4.08Å; F363-V435 HydrophobicContact CZ-CG1 3.94Å; L383-V435 HydrophobicContact CD2-CG1 3.82Å; L383-V435 HydrophobicContact CD2-CG2 4.4Å; V422-V435 HydrophobicContact CG2-CG2 3.62Å; L423-V435 CarbonylContact O-C 3.57Å; L423-V435 WeakPolarHBondContact O-CA 3.37Å; L423-V435 WeakPolarHBondContact O-CG2 3.43Å; V435-F471 HydrophobicContact CG1-CB 3.92Å; V435-F471 HydrophobicContact CG1-CD2 4.31Å; V435-F471 PolarHBondContact N-O 2.87Å; V435-F471 PolarHBondContact O-N 3.33Å |
| 436 | I | 94 | Very high | 80.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.7 | 176.3 | -62.6 | 165.1 | 0 | 0 | 0 | 108.7 | V422 L423 V425 I468 Y469 L470 L508 V522 I543 F549 | V422-I436 CarbonylContact C-O 3.54Å; V422-I436 VanDerWaalsContact CA-O 3.32Å; V422-I436 WeakPolarHBondContact CA-O 3.24Å; V422-I436 WeakPolarHBondContact CG2-O 3.08Å; L423-I436 HydrophobicContact CB-CB 4.5Å; L423-I436 PolarHBondContact N-O 2.92Å; L423-I436 PolarHBondContact O-N 3.31Å; V425-I436 HydrophobicContact CG1-CD1 3.95Å; V425-I436 HydrophobicContact CG2-CD1 4.28Å; V425-I436 HydrophobicContact CG2-CG1 4.42Å; I436-I468 HydrophobicContact CG2-CB 4.02Å; I436-Y469 CarbonylContact C-O 3.55Å; I436-Y469 WeakPolarHBondContact CA-O 2.97Å; I436-L470 HydrophobicContact CG1-CD1 3.77Å; I436-L508 HydrophobicContact CB-CD1 4.42Å; I436-L508 HydrophobicContact CG2-CD1 3.82Å; I436-L508 HydrophobicContact CG2-CD2 4.34Å; I436-V522 HydrophobicContact CD1-CG1 3.86Å; I436-V522 HydrophobicContact CD1-CG2 4.15Å; I436-I543 HydrophobicContact CD1-CD1 3.71Å; I436-F549 HydrophobicContact CD1-CE1 3.8Å; I436-F549 HydrophobicContact CD1-CZ 4.19Å; I436-F549 HydrophobicContact CG1-CE1 4.14Å; I436-F549 HydrophobicContact CG1-CZ 4.03Å; I436-F549 HydrophobicContact CG2-CZ 4.18Å |
| 437 | M | 92.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.8 | 176 | -166.5 | -158.3 | 74.6 | 0 | 0 | 110.1 | T365 H382 L383 I409 N418 G419 I468 Y469 F471 | T365-M437 HydrophobicContact CG2-CG 4.37Å; H382-M437 HydrophobicContact CB-SD 4.09Å; L383-M437 HydrophobicContact CB-SD 4.24Å; I409-M437 HydrophobicContact CD1-CE 3.29Å; I409-M437 HydrophobicContact CD1-SD 4.32Å; N418-M437 HydrophobicContact CB-CE 3.82Å; G419-M437 VanDerWaalsContact CA-SD 3.58Å; G419-M437 PolarHBondContact N-SD 3.09Å; G419-M437 VanDerWaalsContact N-SD 3.41Å; M437-I468 WeakPolarHBondContact O-CA 3.46Å; M437-Y469 HydrophobicContact CE-CD2 3.89Å; M437-Y469 HydrophobicContact CE-CE2 4.47Å; M437-Y469 PolarHBondContact N-O 3.23Å; M437-Y469 PolarHBondContact O-N 3.19Å; M437-F471 HydrophobicContact CB-CE2 4.01Å |
| 438 | G | 93.2 | Very high | 77 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 151.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G419 S421 | G419-G438 PolarHBondContact N-O 2.74Å; S421-G438 PolarHBondContact O-N 2.88Å; S421-G438 WeakPolarHBondContact OG-CA 2.99Å; S421-G438 PolarHBondContact OG-N 3.42Å |
| 439 | A | 91.2 | Very high | 75.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 70.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | N416 N418 Y441 A442 R467 Y469 | N416-A439 CarbonylContact O-C 3.57Å; N416-A439 WeakPolarHBondContact O-CA 3.23Å; N418-A439 WeakPolarHBondContact OD1-CB 3.33Å; A439-Y441 PolarHBondContact O-N 2.77Å; A439-A442 WeakPolarHBondContact O-CB 3.21Å; A439-A442 PolarHBondContact O-N 3.45Å; A439-R467 CarbonylContact C-O 3.52Å; A439-R467 HydrophobicContact CB-CB 4.41Å; A439-R467 PolarHBondContact N-O 3.46Å; A439-R467 PolarHBondContact O-N 3.01Å; A439-Y469 HydrophobicContact CB-CD2 4.38Å; A439-Y469 HydrophobicContact CB-CE2 3.87Å |
| 440 | P | 92.6 | Very high | 73.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.9 | -170.6 | 23.7 | -34.3 | 0 | 0 | 0 | 114.3 | M420 A442 G466 N503 F504 F506 | M420-P440 HydrophobicContact CB-CG 4.11Å; M420-P440 HydrophobicContact CG-CG 4.29Å; P440-A442 VanDerWaalsContact C-N 3.32Å; P440-G466 WeakPolarHBondContact O-CA 3.4Å; P440-N503 HydrophobicContact CB-CB 4.06Å; P440-N503 WeakPolarHBondContact O-CA 3.22Å; P440-F504 WeakPolarHBondContact CA-O 3.3Å; P440-F506 HydrophobicContact CB-CB 4.02Å; P440-F506 HydrophobicContact CB-CD2 4.05Å; P440-F506 HydrophobicContact CG-CD2 4.15Å |
| 441 | Y | 88.5 | Confident | 72.4 | Confident | 56 Ų | 56 | 50 Ų | 50 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 12.8 | -178.1 | -46.9 | -54.7 | 0 | 0 | 0 | 113.1 | F415 N416 M420 A439 G443 N464 | F415-Y441 AromaticContact CD1-CD2 3.88Å; F415-Y441 HydrophobicContact CD1-CD2 3.88Å; F415-Y441 AromaticContact CE1-CD2 3.3Å; F415-Y441 HydrophobicContact CE1-CD2 3.3Å; F415-Y441 AromaticContact CE1-CE2 3.58Å; F415-Y441 HydrophobicContact CE1-CE2 3.58Å; F415-Y441 HydrophobicContact CE1-CG 4.34Å; F415-Y441 HydrophobicContact CZ-CD2 4.06Å; F415-Y441 HydrophobicContact CZ-CE2 4.15Å; N416-Y441 CarbonylContact O-C 3.42Å; N416-Y441 WeakPolarHBondContact O-CA 3.25Å; N416-Y441 PolarHBondContact O-N 2.83Å; M420-Y441 HydrophobicContact CE-CE2 4.08Å; M420-Y441 HydrophobicContact CG-CE2 4.37Å; M420-Y441 HydrophobicContact SD-CE2 4.42Å; A439-Y441 PolarHBondContact O-N 2.77Å; Y441-G443 PolarHBondContact O-N 2.96Å; Y441-N464 PolarHBondContact O-OD1 3.45Å |
| 442 | A | 84.6 | Confident | 71 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 122.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N416 A439 P440 I465 G466 R467 | N416-A442 HydrophobicContact CB-CB 4.34Å; N416-A442 PolarHBondContact O-N 2.7Å; A439-A442 WeakPolarHBondContact O-CB 3.21Å; A439-A442 PolarHBondContact O-N 3.45Å; P440-A442 VanDerWaalsContact C-N 3.32Å; A442-I465 PolarHBondContact O-N 3.45Å; A442-G466 PolarHBondContact O-N 2.84Å; A442-G466 VanDerWaalsContact O-N 3.09Å; A442-R467 HydrophobicContact CB-CB 3.79Å |
| 443 | G | 76.1 | Confident | 69.5 | Low | 18 Ų | 18 | 57 Ų | 57 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 161.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y441 T445 | Y441-G443 PolarHBondContact O-N 2.96Å; G443-T445 PolarHBondContact O-N 2.82Å |
| 444 | N | 68.6 | Low | 67.5 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -73 | 116.1 | 176.4 | -178.4 | -5.4 | 0 | 0 | 0 | 111.7 | D446 I447 I465 | N444-D446 VanDerWaalsContact C-N 3.35Å; N444-D446 PolarHBondContact O-N 3.47Å; N444-D446 WeakPolarHBondContact OD1-CB 3.2Å; N444-D446 PolarHBondContact OD1-N 3.44Å; N444-I447 HydrophobicContact CB-CD1 4.14Å; N444-I447 HydrophobicContact CB-CG1 4.42Å; N444-I465 HydrophobicContact CB-CD1 4.08Å; N444-I465 HydrophobicContact CB-CG1 4.48Å; N444-I465 HydrophobicContact CB-CG2 4.34Å |
| 445 | T | 58 | Low | 64.8 | Low | 67 Ų | 67 | 69.9 Ų | 69.9 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -67.7 | -26.9 | -177.6 | 47.5 | 0 | 0 | 0 | 0 | 114.5 | G443 I447 K448 | G443-T445 PolarHBondContact O-N 2.82Å; T445-I447 PolarHBondContact O-N 3.44Å; T445-I447 VanDerWaalsContact O-N 3.1Å; T445-K448 PolarHBondContact O-N 2.94Å |
| 446 | D | 51.8 | Low | 62 | Low | 95 Ų | 95 | 75 Ų | 75 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.3 | -177.3 | -79 | -15.2 | 0 | 0 | 0 | 112.7 | N444 K448 K499 | N444-D446 VanDerWaalsContact C-N 3.35Å; N444-D446 PolarHBondContact O-N 3.47Å; N444-D446 WeakPolarHBondContact OD1-CB 3.2Å; N444-D446 PolarHBondContact OD1-N 3.44Å; D446-K448 VanDerWaalsContact C-N 3.34Å; D446-K448 PolarHBondContact O-N 3.14Å; D446-K499 IonicContact OD2-NZ 3.44Å; D446-K499 PolarHBondContact OD2-NZ 2.91Å |
| 447 | I | 49.2 | Very low | 59.2 | Low | 80 Ų | 80 | 80.6 Ų | 80.6 | 41% | 0.41 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -70.2 | -30.3 | -171.9 | -57.4 | 177.3 | 0 | 0 | 0 | 111.8 | N444 T445 N449 | N444-I447 HydrophobicContact CB-CD1 4.14Å; N444-I447 HydrophobicContact CB-CG1 4.42Å; T445-I447 PolarHBondContact O-N 3.44Å; T445-I447 VanDerWaalsContact O-N 3.1Å; I447-N449 VanDerWaalsContact C-N 3.26Å; I447-N449 PolarHBondContact O-N 2.81Å |
| 448 | K | 45.7 | Very low | 56.5 | Low | 114 Ų | 114 | 88 Ų | 88 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -72.6 | -9.5 | -174.3 | -73.1 | 178 | -178.7 | 167.3 | 0 | 114.3 | T412 D413 T445 D446 | T412-K448 PolarHBondContact O-NZ 3.39Å; T412-K448 PolarHBondContact OG1-NZ 3.12Å; D413-K448 VanDerWaalsContact CG-NZ 3.28Å; D413-K448 IonicContact OD1-NZ 3.81Å; D413-K448 PolarHBondContact OD1-NZ 2.98Å; D413-K448 IonicContact OD2-NZ 3.54Å; D413-K448 PolarHBondContact OD2-NZ 3.26Å; T445-K448 PolarHBondContact O-N 2.94Å; D446-K448 VanDerWaalsContact C-N 3.34Å; D446-K448 PolarHBondContact O-N 3.14Å |
| 449 | N | 45.4 | Very low | 53.7 | Low | 138 Ų | 138 | 95 Ų | 95 | 74% | 0.738 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -88.2 | -9.3 | -177.7 | -95.4 | -18.4 | 0 | 0 | 0 | 115.6 | I447 N451 | I447-N449 VanDerWaalsContact C-N 3.26Å; I447-N449 PolarHBondContact O-N 2.81Å; N449-N451 PolarHBondContact O-N 3.44Å; N449-N451 VanDerWaalsContact O-N 3.13Å |
| 450 | N | 43.5 | Very low | 51.2 | Low | 145 Ų | 145 | 97.8 Ų | 97.8 | 78% | 0.775 | 52% | 0.521 | S | S | * | . | trans | -84 | 83.8 | 172.7 | -84.2 | -14.9 | 0 | 0 | 0 | 110.7 | D452 | N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 2.92Å; N450-D452 VanDerWaalsContact O-N 3.11Å | ||
| 451 | N | 40.8 | Very low | 48.7 | Very low | 143 Ų | 143 | 102.7 Ų | 102.7 | 77% | 0.765 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -0.4 | -165.3 | -100.8 | -31.3 | 0 | 0 | 0 | 118 | N449 | N449-N451 PolarHBondContact O-N 3.44Å; N449-N451 VanDerWaalsContact O-N 3.13Å |
| 452 | D | 44.1 | Very low | 47 | Very low | 164 Ų | 164 | 100.8 Ų | 100.8 | 88% | 0.877 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 2.4 | -165.7 | -79.3 | -36.5 | 0 | 0 | 0 | 116.6 | N450 | N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 2.92Å; N450-D452 VanDerWaalsContact O-N 3.11Å |
| 453 | T | 41.4 | Very low | 46.1 | Very low | 107 Ų | 107 | 107.5 Ų | 107.5 | 66% | 0.656 | 58% | 0.575 | S | S | * | * | trans | -132.5 | 114.3 | 173.3 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | V455 | T453-V455 PolarHBondContact O-N 2.91Š| ||
| 454 | K | 36.5 | Very low | 46.4 | Very low | 224 Ų | 224 | 109.5 Ų | 109.5 | 97% | 0.974 | 58% | 0.581 | S | S | * | * | trans | -64.1 | 84.3 | 160.7 | -77.7 | -177.9 | 174.3 | 178.8 | 0 | 109.8 | ||||
| 455 | V | 32.3 | Very low | 47.3 | Very low | 82 Ų | 82 | 108.2 Ų | 108.2 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | trans | -98.8 | 135.2 | 165.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | T453 Q459 | T453-V455 PolarHBondContact O-N 2.91Å; V455-Q459 HydrophobicContact CG1-CB 4.08Å | ||
| 456 | D | 33.2 | Very low | 48.9 | Very low | 110 Ų | 110 | 105 Ų | 105 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | trans | -57.4 | 139.8 | -179.5 | -79.4 | -55.8 | 0 | 0 | 0 | 111.2 | I458 Q459 S460 | D456-I458 PolarHBondContact O-N 2.78Å; D456-Q459 PolarHBondContact O-N 2.03Å; D456-S460 PolarHBondContact O-N 2.79Å | ||
| 457 | P | 33.9 | Very low | 50.8 | Low | 118 Ų | 118 | 101.5 Ų | 101.5 | 77% | 0.766 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.6 | -179.6 | -26.2 | 34.1 | 0 | 0 | 0 | 114.5 | ||
| 458 | I | 36 | Very low | 52.9 | Low | 155 Ų | 155 | 97.7 Ų | 97.7 | 80% | 0.795 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -24.8 | -179 | -51 | 174.8 | 0 | 0 | 0 | 111.7 | D456 | D456-I458 PolarHBondContact O-N 2.78Š|
| 459 | Q | 34.6 | Very low | 55.1 | Low | 146 Ų | 146 | 92.7 Ų | 92.7 | 68% | 0.682 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -11.9 | 178.1 | -70.5 | -167.7 | 9.4 | 0 | 0 | 113.7 | V455 D456 T461 | V455-Q459 HydrophobicContact CG1-CB 4.08Å; D456-Q459 PolarHBondContact O-N 2.03Å; Q459-T461 PolarHBondContact O-N 3.02Å |
| 460 | S | 38.2 | Very low | 57.3 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | trans | -65.7 | 86.9 | 156.6 | 171.7 | 0 | 0 | 0 | 0 | 108.5 | D456 G462 | D456-S460 PolarHBondContact O-N 2.79Å; S460-G462 PolarHBondContact O-N 3.17Å | ||
| 461 | T | 41.4 | Very low | 59.4 | Low | 103 Ų | 103 | 79.3 Ų | 79.3 | 63% | 0.632 | 42% | 0.421 | S | S | * | . | trans | -69.8 | 48.2 | 164.6 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | Q459 Y463 | Q459-T461 PolarHBondContact O-N 3.02Å; T461-Y463 VanDerWaalsContact C-N 3.31Å; T461-Y463 PolarHBondContact O-N 3.47Å | ||
| 462 | G | 50.9 | Low | 61.5 | Low | 17 Ų | 17 | 72.7 Ų | 72.7 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | trans | -66 | 95.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | S460 N464 | S460-G462 PolarHBondContact O-N 3.17Å; G462-N464 PolarHBondContact O-N 3.19Å | ||
| 463 | Y | 67.6 | Low | 63.1 | Low | 142 Ų | 142 | 65.6 Ų | 65.6 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | trans | -54.1 | 136.6 | -169.6 | -53.7 | -80.1 | 0 | 0 | 0 | 111.4 | T461 I465 R502 | T461-Y463 VanDerWaalsContact C-N 3.31Å; T461-Y463 PolarHBondContact O-N 3.47Å; Y463-I465 PolarHBondContact O-N 3.07Å; Y463-R502 VanDerWaalsContact CB-CZ 3.4Å; Y463-R502 VanDerWaalsContact CG-NH2 3.28Å | ||
| 464 | N | 81.1 | Confident | 64.4 | Low | 60 Ų | 60 | 62.4 Ų | 62.4 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 94.9 | 177.7 | -65.6 | -11.2 | 0 | 0 | 0 | 109.3 | Y441 G462 G466 R502 N503 | Y441-N464 PolarHBondContact O-OD1 3.45Å; G462-N464 PolarHBondContact O-N 3.19Å; N464-G466 VanDerWaalsContact C-N 3.26Å; N464-R502 WeakPolarHBondContact O-CA 3.39Å; N464-N503 PolarHBondContact O-N 2.88Å |
| 465 | I | 87.4 | Confident | 65.5 | Low | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | trans | -66.9 | -35.8 | 174 | 57.6 | 176.6 | 0 | 0 | 0 | 110 | A442 N444 Y463 D496 F504 | A442-I465 PolarHBondContact O-N 3.45Å; N444-I465 HydrophobicContact CB-CD1 4.08Å; N444-I465 HydrophobicContact CB-CG1 4.48Å; N444-I465 HydrophobicContact CB-CG2 4.34Å; Y463-I465 PolarHBondContact O-N 3.07Å; I465-D496 HydrophobicContact CD1-CB 4.01Å; I465-F504 WeakPolarHBondContact O-CB 3.38Å; I465-F504 PolarHBondContact O-N 3.43Å | ||
| 466 | G | 91.6 | Very high | 66.4 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | 81.7 | 161.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P440 A442 N464 G497 F504 | P440-G466 WeakPolarHBondContact O-CA 3.4Å; A442-G466 PolarHBondContact O-N 2.84Å; A442-G466 VanDerWaalsContact O-N 3.09Å; N464-G466 VanDerWaalsContact C-N 3.26Å; G466-G497 PolarHBondContact O-N 2.94Å; G466-F504 CarbonylContact C-O 3.55Å; G466-F504 VanDerWaalsContact C-O 3.27Å; G466-F504 VanDerWaalsContact CA-O 3.28Å; G466-F504 WeakPolarHBondContact CA-O 3.44Å |
| 467 | R | 91.6 | Very high | 67 | Low | 22 Ų | 22 | 58.3 Ų | 58.3 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 154.6 | -173.7 | 179.8 | 176.9 | -71.9 | 160.1 | -1.1 | 111.9 | A439 A442 Y469 Y494 L495 D496 F504 | A439-R467 CarbonylContact C-O 3.52Å; A439-R467 HydrophobicContact CB-CB 4.41Å; A439-R467 PolarHBondContact N-O 3.46Å; A439-R467 PolarHBondContact O-N 3.01Å; A442-R467 HydrophobicContact CB-CB 3.79Å; R467-Y469 WeakPolarHBondContact CD-OH 3.24Å; R467-Y469 HydrophobicContact CG-CD2 4.4Å; R467-Y469 HydrophobicContact CG-CE2 3.9Å; R467-Y469 PolarHBondContact NH1-OH 3.16Å; R467-Y494 HydrophobicContact CG-CD2 4.22Å; R467-L495 CarbonylContact C-O 3.59Å; R467-L495 VanDerWaalsContact CA-O 3.31Å; R467-L495 WeakPolarHBondContact CA-O 3.32Å; R467-L495 WeakPolarHBondContact CG-O 3.2Å; R467-D496 IonicContact CZ-OD1 3.8Å; R467-D496 IonicContact CZ-OD2 2.83Å; R467-D496 VanDerWaalsContact NE-CG 3.31Å; R467-D496 IonicContact NE-OD1 3.35Å; R467-D496 PolarHBondContact NE-OD1 3.22Å; R467-D496 IonicContact NE-OD2 3.66Å; R467-D496 PolarHBondContact NE-OD2 3.1Å; R467-D496 IonicContact NH2-OD1 2.75Å; R467-D496 PolarHBondContact NH2-OD1 3.48Å; R467-D496 IonicContact NH2-OD2 2.67Å; R467-D496 PolarHBondContact NH2-OD2 2.98Å; R467-F504 PolarHBondContact N-O 3.16Å |
| 468 | I | 94.2 | Very high | 67.5 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.3 | 165.1 | 66.5 | -177 | 0 | 0 | 0 | 110.9 | I436 M437 Y494 L495 F504 L508 V524 F549 | I436-I468 HydrophobicContact CG2-CB 4.02Å; M437-I468 WeakPolarHBondContact O-CA 3.46Å; I468-Y494 CarbonylContact O-C 3.51Å; I468-Y494 VanDerWaalsContact O-CA 3.29Å; I468-Y494 WeakPolarHBondContact O-CA 3.47Å; I468-Y494 WeakPolarHBondContact O-CB 3.47Å; I468-L495 HydrophobicContact CD1-CB 4.32Å; I468-L495 HydrophobicContact CD1-CD2 4.13Å; I468-L495 HydrophobicContact CG1-CB 3.87Å; I468-L495 PolarHBondContact N-O 2.88Å; I468-L495 PolarHBondContact O-N 3.34Å; I468-F504 HydrophobicContact CB-CE1 4.48Å; I468-F504 HydrophobicContact CD1-CE1 4.06Å; I468-F504 HydrophobicContact CD1-CZ 4.14Å; I468-F504 HydrophobicContact CG1-CE1 3.95Å; I468-F504 HydrophobicContact CG2-CD1 4.3Å; I468-F504 HydrophobicContact CG2-CE1 3.98Å; I468-L508 HydrophobicContact CG2-CD2 3.95Å; I468-V524 HydrophobicContact CD1-CG2 3.96Å; I468-V524 HydrophobicContact CG2-CG1 3.91Å; I468-F549 HydrophobicContact CB-CZ 4.39Å; I468-F549 HydrophobicContact CD1-CD1 4.07Å; I468-F549 HydrophobicContact CD1-CD2 4.47Å; I468-F549 HydrophobicContact CD1-CE1 3.53Å; I468-F549 HydrophobicContact CD1-CE2 3.97Å; I468-F549 HydrophobicContact CD1-CG 4.49Å; I468-F549 HydrophobicContact CD1-CZ 3.45Å; I468-F549 VanDerWaalsContact CD1-CZ 3.45Å; I468-F549 HydrophobicContact CG1-CD2 4.42Å; I468-F549 HydrophobicContact CG1-CE1 4.2Å; I468-F549 HydrophobicContact CG1-CE2 3.73Å; I468-F549 HydrophobicContact CG1-CZ 3.59Å |
| 469 | Y | 91.4 | Very high | 67.6 | Low | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138 | 178.4 | -69.1 | -85.1 | 0 | 0 | 0 | 110.3 | I409 I436 M437 A439 R467 I491 Y494 | I409-Y469 HydrophobicContact CD1-CD1 4.36Å; I409-Y469 HydrophobicContact CD1-CD2 3.91Å; I409-Y469 HydrophobicContact CD1-CE1 4.43Å; I409-Y469 HydrophobicContact CD1-CE2 3.98Å; I409-Y469 HydrophobicContact CD1-CG 4.11Å; I409-Y469 HydrophobicContact CG1-CD1 4.29Å; I409-Y469 HydrophobicContact CG1-CE1 4.16Å; I409-Y469 HydrophobicContact CG2-CE1 3.65Å; I409-Y469 HydrophobicContact CG2-CE2 3.89Å; I409-Y469 WeakPolarHBondContact CG2-OH 3.46Å; I436-Y469 CarbonylContact C-O 3.55Å; I436-Y469 WeakPolarHBondContact CA-O 2.97Å; M437-Y469 HydrophobicContact CE-CD2 3.89Å; M437-Y469 HydrophobicContact CE-CE2 4.47Å; M437-Y469 PolarHBondContact N-O 3.23Å; M437-Y469 PolarHBondContact O-N 3.19Å; A439-Y469 HydrophobicContact CB-CD2 4.38Å; A439-Y469 HydrophobicContact CB-CE2 3.87Å; R467-Y469 WeakPolarHBondContact CD-OH 3.24Å; R467-Y469 HydrophobicContact CG-CD2 4.4Å; R467-Y469 HydrophobicContact CG-CE2 3.9Å; R467-Y469 PolarHBondContact NH1-OH 3.16Å; Y469-I491 HydrophobicContact CD1-CD1 4.4Å; Y469-I491 HydrophobicContact CD1-CG2 4.18Å; Y469-Y494 HydrophobicContact CD1-CG 4.43Å; Y469-Y494 HydrophobicContact CE1-CG 4.15Å |
| 470 | L | 91.7 | Very high | 67.8 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.3 | 174.6 | 180 | 61.5 | 0 | 0 | 0 | 111 | I436 I492 D493 I543 C547 F549 | I436-L470 HydrophobicContact CG1-CD1 3.77Å; L470-I492 PolarHBondContact O-N 3.19Å; L470-D493 PolarHBondContact N-O 2.87Å; L470-I543 HydrophobicContact CD2-CG2 3.71Å; L470-C547 HydrophobicContact CD2-CB 4.47Å; L470-F549 HydrophobicContact CB-CD2 4.3Å; L470-F549 HydrophobicContact CB-CE1 4.41Å; L470-F549 HydrophobicContact CB-CE2 3.52Å; L470-F549 HydrophobicContact CB-CZ 3.6Å; L470-F549 HydrophobicContact CG-CZ 4.49Å |
| 471 | F | 87.7 | Confident | 67.8 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.5 | 174.4 | -49.8 | -100.7 | 0 | 0 | 0 | 108.9 | L383 F406 I409 S434 V435 M437 I491 | L383-F471 HydrophobicContact CD2-CD2 3.66Å; L383-F471 HydrophobicContact CD2-CE2 3.67Å; L383-F471 HydrophobicContact CD2-CG 4.22Å; L383-F471 HydrophobicContact CD2-CZ 4.21Å; F406-F471 HydrophobicContact CB-CD1 4.19Å; F406-F471 HydrophobicContact CB-CE1 4.06Å; F406-F471 HydrophobicContact CD1-CB 3.7Å; F406-F471 AromaticContact CD1-CD1 3.57Å; F406-F471 HydrophobicContact CD1-CD1 3.57Å; F406-F471 HydrophobicContact CD1-CE1 4.29Å; F406-F471 AromaticContact CD1-CG 3.79Å; F406-F471 HydrophobicContact CD1-CG 3.79Å; F406-F471 HydrophobicContact CE1-CB 3.76Å; F406-F471 HydrophobicContact CE1-CD1 4.47Å; F406-F471 HydrophobicContact CE1-CG 4.35Å; F406-F471 HydrophobicContact CG-CD1 4.28Å; I409-F471 HydrophobicContact CD1-CZ 4.34Å; S434-F471 WeakPolarHBondContact CA-O 3.15Å; V435-F471 HydrophobicContact CG1-CB 3.92Å; V435-F471 HydrophobicContact CG1-CD2 4.31Å; V435-F471 PolarHBondContact N-O 2.87Å; V435-F471 PolarHBondContact O-N 3.33Å; M437-F471 HydrophobicContact CB-CE2 4.01Å; F471-I491 HydrophobicContact CD1-CG1 3.94Å; F471-I491 HydrophobicContact CE1-CB 4.37Å; F471-I491 HydrophobicContact CE1-CD1 4.35Å; F471-I491 HydrophobicContact CE1-CG1 3.34Å; F471-I491 HydrophobicContact CZ-CG1 3.98Å |
| 472 | C | 85.6 | Confident | 67.6 | Low | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.2 | 171.2 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | L427 Y431 K433 S434 I492 C547 | L427-C472 WeakPolarHBondContact CD1-SG 3.13Å; Y431-C472 HydrophobicContact CD1-CB 3.37Å; Y431-C472 HydrophobicContact CE1-CB 3.73Å; Y431-C472 HydrophobicContact CG-CB 3.89Å; K433-C472 CarbonylContact O-C 3.59Å; K433-C472 WeakPolarHBondContact O-CA 3.3Å; S434-C472 PolarHBondContact OG-SG 2.91Å; S434-C472 VanDerWaalsContact OG-SG 3.33Å; C472-I492 HydrophobicContact CB-CD1 3.81Å; C472-I492 WeakPolarHBondContact O-CD1 3.28Å; C472-C547 HydrophobicContact CB-CB 3.89Å; C472-C547 WeakPolarHBondContact CB-SG 3.44Å; C472-C547 WeakPolarHBondContact SG-CB 3.09Å; C472-C547 CovalentContact SG-SG 2.03Å; C472-C547 PolarHBondContact SG-SG 3.1Å |
| 473 | Q | 77.3 | Confident | 67.1 | Low | 14 Ų | 14 | 70.7 Ų | 70.7 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 115.9 | 175.4 | -170.5 | 178.4 | 30.1 | 0 | 0 | 108.5 | D404 Y431 I432 K433 T489 | D404-Q473 PolarHBondContact OD2-NE2 3.04Å; Y431-Q473 CarbonylContact C-O 3.57Å; Y431-Q473 WeakPolarHBondContact CA-O 3.4Å; I432-Q473 HydrophobicContact CD1-CG 4.14Å; I432-Q473 HydrophobicContact CG1-CB 4.32Å; I432-Q473 HydrophobicContact CG1-CG 4.21Å; I432-Q473 VanDerWaalsContact CG1-O 3.23Å; I432-Q473 WeakPolarHBondContact CG1-O 3.49Å; I432-Q473 PolarHBondContact N-O 2.83Å; K433-Q473 HydrophobicContact CB-CB 4.37Å; K433-Q473 VanDerWaalsContact CD-OE1 3.27Å; K433-Q473 PolarHBondContact O-N 2.87Å; Q473-T489 HydrophobicContact CG-CG2 4.33Å |
| 474 | S | 69.2 | Low | 65.8 | Low | 41 Ų | 41 | 67.7 Ų | 67.7 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 149.4 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | P430 Q476 | P430-S474 CarbonylContact O-C 3.56Å; P430-S474 VanDerWaalsContact O-CA 3.3Å; P430-S474 WeakPolarHBondContact O-CA 3.33Å; S474-Q476 PolarHBondContact O-N 3.27Å |
| 475 | D | 59.3 | Low | 63.7 | Low | 45 Ų | 45 | 72.7 Ų | 72.7 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | trans | -81.6 | 77.4 | 179.6 | -156.7 | -13.9 | 0 | 0 | 0 | 112.6 | P430 I432 R477 | P430-D475 PolarHBondContact O-N 3.37Å; I432-D475 HydrophobicContact CG2-CB 3.78Å; D475-R477 VanDerWaalsContact CG-NE 3.35Å; D475-R477 PolarHBondContact O-N 3.33Å; D475-R477 WeakPolarHBondContact OD1-CB 3.39Å; D475-R477 WeakPolarHBondContact OD1-CG 3.22Å; D475-R477 IonicContact OD1-CZ 3.06Å; D475-R477 PolarHBondContact OD1-N 3.44Å; D475-R477 IonicContact OD1-NE 3.49Å; D475-R477 PolarHBondContact OD1-NE 2.87Å; D475-R477 IonicContact OD1-NH2 2.7Å; D475-R477 IonicContact OD2-CZ 3.02Å; D475-R477 VanDerWaalsContact OD2-CZ 3.28Å; D475-R477 IonicContact OD2-NE 2.7Å; D475-R477 PolarHBondContact OD2-NE 2.74Å; D475-R477 VanDerWaalsContact OD2-NE 3.09Å; D475-R477 IonicContact OD2-NH2 2.71Å; D475-R477 PolarHBondContact OD2-NH2 3.24Å | ||
| 476 | Q | 50.1 | Low | 61.4 | Low | 120 Ų | 120 | 81.7 Ų | 81.7 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -75.8 | 27.3 | 173.3 | -68.4 | -165.9 | -8.1 | 0 | 0 | 114 | S474 I478 | S474-Q476 PolarHBondContact O-N 3.27Å; Q476-I478 PolarHBondContact O-N 3.14Å; Q476-I478 VanDerWaalsContact O-N 3.14Å |
| 477 | R | 46.8 | Very low | 59.1 | Low | 165 Ų | 165 | 84.4 Ų | 84.4 | 62% | 0.623 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -64.3 | -8.3 | 168.1 | -79.6 | -174.8 | -79 | -169.4 | -2.1 | 114.3 | D475 N479 Y485 | D475-R477 VanDerWaalsContact CG-NE 3.35Å; D475-R477 PolarHBondContact O-N 3.33Å; D475-R477 WeakPolarHBondContact OD1-CB 3.39Å; D475-R477 WeakPolarHBondContact OD1-CG 3.22Å; D475-R477 IonicContact OD1-CZ 3.06Å; D475-R477 PolarHBondContact OD1-N 3.44Å; D475-R477 IonicContact OD1-NE 3.49Å; D475-R477 PolarHBondContact OD1-NE 2.87Å; D475-R477 IonicContact OD1-NH2 2.7Å; D475-R477 IonicContact OD2-CZ 3.02Å; D475-R477 VanDerWaalsContact OD2-CZ 3.28Å; D475-R477 IonicContact OD2-NE 2.7Å; D475-R477 PolarHBondContact OD2-NE 2.74Å; D475-R477 VanDerWaalsContact OD2-NE 3.09Å; D475-R477 IonicContact OD2-NH2 2.71Å; D475-R477 PolarHBondContact OD2-NH2 3.24Å; R477-N479 PolarHBondContact O-N 3.04Å; R477-Y485 HydrophobicContact CG-CE1 4.49Å; R477-Y485 WeakPolarHBondContact CG-OH 3.33Å |
| 478 | I | 43.2 | Very low | 56.8 | Low | 147 Ų | 147 | 86.9 Ų | 86.9 | 75% | 0.754 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -70.7 | -21.8 | -167.4 | -67.5 | 178.5 | 0 | 0 | 0 | 114.6 | Q476 | Q476-I478 PolarHBondContact O-N 3.14Å; Q476-I478 VanDerWaalsContact O-N 3.14Å |
| 479 | N | 37.8 | Very low | 54.7 | Low | 152 Ų | 152 | 88 Ų | 88 | 81% | 0.813 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -152.4 | 10.9 | -172 | -108.4 | -32.8 | 0 | 0 | 0 | 121.1 | R477 | R477-N479 PolarHBondContact O-N 3.04Š|
| 480 | I | 39.6 | Very low | 52.9 | Low | 105 Ų | 105 | 91 Ų | 91 | 54% | 0.538 | 46% | 0.463 | S | S | . | . | trans | -121.2 | 106 | -174.4 | -51.3 | 178.2 | 0 | 0 | 0 | 111.9 | S482 | I480-S482 VanDerWaalsContact C-N 3.3Å; I480-S482 WeakPolarHBondContact CG2-OG 3.42Å; I480-S482 PolarHBondContact O-N 2.84Å | ||
| 481 | K | 38.1 | Very low | 51.2 | Low | 225 Ų | 225 | 93.3 Ų | 93.3 | 98% | 0.978 | 48% | 0.475 | S | S | * | . | trans | -86.6 | 23.7 | 173.3 | -86.9 | -172.3 | 175.6 | 179.2 | 0 | 114 | ||||
| 482 | S | 37.9 | Very low | 50.5 | Low | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -106.2 | 141.5 | 174.6 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | I480 S484 | I480-S482 VanDerWaalsContact C-N 3.3Å; I480-S482 WeakPolarHBondContact CG2-OG 3.42Å; I480-S482 PolarHBondContact O-N 2.84Å; S482-S484 PolarHBondContact O-N 3.43Å; S482-S484 PolarHBondContact OG-OG 3.29Å |
| 483 | D | 40.2 | Very low | 50.6 | Low | 175 Ų | 175 | 96.3 Ų | 96.3 | 94% | 0.936 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -67.9 | 15.9 | -179.8 | -60.8 | -54.4 | 0 | 0 | 0 | 114.3 | ||
| 484 | S | 39.3 | Very low | 51.2 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | trans | -101 | 58 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 111 | S482 K486 | S482-S484 PolarHBondContact O-N 3.43Å; S482-S484 PolarHBondContact OG-OG 3.29Å; S484-K486 PolarHBondContact O-N 3.37Å | ||
| 485 | Y | 38.4 | Very low | 52.3 | Low | 164 Ų | 164 | 97.6 Ų | 97.6 | 64% | 0.643 | 49% | 0.488 | S | S | * | . | trans | -63 | 99.8 | 169 | -97.7 | -99.6 | 0 | 0 | 0 | 109.7 | R477 | R477-Y485 HydrophobicContact CG-CE1 4.49Å; R477-Y485 WeakPolarHBondContact CG-OH 3.33Å | ||
| 486 | K | 39 | Very low | 53.8 | Low | 193 Ų | 193 | 95.5 Ų | 95.5 | 84% | 0.839 | 48% | 0.477 | S | S | * | . | trans | -111.3 | 99.9 | 159.6 | -79.5 | -169.7 | 173.9 | -174.3 | 0 | 108 | S484 S488 | S484-K486 PolarHBondContact O-N 3.37Å; K486-S488 PolarHBondContact O-N 2.74Å | ||
| 487 | P | 41.8 | Very low | 55.8 | Low | 57 Ų | 57 | 89.8 Ų | 89.8 | 37% | 0.37 | 45% | 0.45 | S | S | . | . | trans | -60.3 | 129.4 | 171 | 25.9 | -32.7 | 0 | 0 | 0 | 108.9 | T489 | P487-T489 PolarHBondContact O-N 3.13Š| ||
| 488 | S | 44 | Very low | 57.8 | Low | 74 Ų | 74 | 82 Ų | 82 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | trans | -77.5 | 75.8 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | K486 T490 | K486-S488 PolarHBondContact O-N 2.74Å; S488-T490 PolarHBondContact O-N 3.13Å | ||
| 489 | T | 50.8 | Low | 59.7 | Low | 22 Ų | 22 | 80 Ų | 80 | 14% | 0.135 | 41% | 0.407 | C | S | . | . | trans | -84.5 | 95.8 | 169.6 | 43.6 | 0 | 0 | 0 | 0 | 109.5 | W405 F406 P407 Q473 P487 | W405-T489 PolarHBondContact O-OG1 2.85Å; W405-T489 VanDerWaalsContact O-OG1 3.07Å; F406-T489 HydrophobicContact CD1-CG2 4.17Å; F406-T489 HydrophobicContact CE1-CG2 3.67Å; F406-T489 HydrophobicContact CZ-CG2 3.98Å; P407-T489 WeakPolarHBondContact CD-O 3.46Å; P407-T489 WeakPolarHBondContact CG-O 3.41Å; Q473-T489 HydrophobicContact CG-CG2 4.33Å; P487-T489 PolarHBondContact O-N 3.13Å | ||
| 490 | T | 53.5 | Low | 61.6 | Low | 73 Ų | 73 | 78.1 Ų | 78.1 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -98.7 | 155 | 165.6 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | S488 I492 | S488-T490 PolarHBondContact O-N 3.13Å; T490-I492 PolarHBondContact O-N 3.36Å | ||
| 491 | I | 55.7 | Low | 63.8 | Low | 49 Ų | 49 | 73.1 Ų | 73.1 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | trans | -59.6 | 125.1 | 152 | -63.4 | 161.2 | 0 | 0 | 0 | 105.1 | P407 I409 Y469 F471 | P407-I491 HydrophobicContact CG-CG1 4.43Å; I409-I491 HydrophobicContact CB-CD1 4.49Å; I409-I491 HydrophobicContact CG1-CD1 3.71Å; Y469-I491 HydrophobicContact CD1-CD1 4.4Å; Y469-I491 HydrophobicContact CD1-CG2 4.18Å; F471-I491 HydrophobicContact CD1-CG1 3.94Å; F471-I491 HydrophobicContact CE1-CB 4.37Å; F471-I491 HydrophobicContact CE1-CD1 4.35Å; F471-I491 HydrophobicContact CE1-CG1 3.34Å; F471-I491 HydrophobicContact CZ-CG1 3.98Å | ||
| 492 | I | 72.4 | Confident | 66.3 | Low | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.297 | 33% | 0.331 | S | S | . | . | trans | -94.5 | -37.6 | 177.6 | -62.8 | 171.9 | 0 | 0 | 0 | 109.4 | Y431 L470 C472 T490 C547 | Y431-I492 HydrophobicContact CE1-CD1 4.46Å; L470-I492 PolarHBondContact O-N 3.19Å; C472-I492 HydrophobicContact CB-CD1 3.81Å; C472-I492 WeakPolarHBondContact O-CD1 3.28Å; T490-I492 PolarHBondContact O-N 3.36Å; I492-C547 HydrophobicContact CD1-CB 4.14Å; I492-C547 VanDerWaalsContact CD1-SG 3.5Å; I492-C547 HydrophobicContact CG2-CB 4.06Å; I492-C547 WeakPolarHBondContact CG2-O 3.41Å | ||
| 493 | D | 88.7 | Confident | 68.9 | Low | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160.5 | -179.3 | -163.2 | 22 | 0 | 0 | 0 | 112.9 | L470 K548 F549 R551 | L470-D493 PolarHBondContact N-O 2.87Å; D493-K548 HydrophobicContact CB-CB 4.37Å; D493-K548 HydrophobicContact CB-CG 4.21Å; D493-K548 VanDerWaalsContact OD2-CA 3.25Å; D493-K548 WeakPolarHBondContact OD2-CA 3.01Å; D493-K548 WeakPolarHBondContact OD2-CB 3.44Å; D493-F549 PolarHBondContact OD2-N 2.8Å; D493-R551 IonicContact OD1-CZ 3.6Å; D493-R551 IonicContact OD1-NH1 2.68Å; D493-R551 IonicContact OD1-NH2 2.68Å; D493-R551 PolarHBondContact OD1-NH2 3.07Å; D493-R551 IonicContact OD2-CZ 2.82Å; D493-R551 IonicContact OD2-NH1 3.76Å; D493-R551 PolarHBondContact OD2-NH1 3.36Å; D493-R551 IonicContact OD2-NH2 3.79Å; D493-R551 PolarHBondContact OD2-NH2 2.84Å |
| 494 | Y | 89.1 | Confident | 71.6 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 156.8 | 169.8 | 70.8 | -89.5 | 0 | 0 | 0 | 111 | T41 R467 I468 Y469 R551 | T41-Y494 HydrophobicContact CG2-CD2 4.41Å; T41-Y494 HydrophobicContact CG2-CE1 4.23Å; T41-Y494 HydrophobicContact CG2-CE2 3.59Å; T41-Y494 VanDerWaalsContact CG2-CZ 3.49Å; T41-Y494 WeakPolarHBondContact CG2-OH 3.46Å; R467-Y494 HydrophobicContact CG-CD2 4.22Å; I468-Y494 CarbonylContact O-C 3.51Å; I468-Y494 VanDerWaalsContact O-CA 3.29Å; I468-Y494 WeakPolarHBondContact O-CA 3.47Å; I468-Y494 WeakPolarHBondContact O-CB 3.47Å; Y469-Y494 HydrophobicContact CD1-CG 4.43Å; Y469-Y494 HydrophobicContact CE1-CG 4.15Å; Y494-R551 PolarHBondContact O-NH2 3.08Å |
| 495 | L | 92.1 | Very high | 74.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 121.4 | -174.5 | -175.6 | 72.9 | 0 | 0 | 0 | 110.5 | T41 L43 R467 I468 F504 I541 F549 R551 | T41-L495 CarbonylContact O-C 3.55Å; T41-L495 WeakPolarHBondContact O-CA 3.09Å; L43-L495 HydrophobicContact CB-CD1 4Å; L43-L495 HydrophobicContact CB-CD2 4.29Å; L43-L495 HydrophobicContact CB-CG 4.13Å; L43-L495 HydrophobicContact CD1-CD1 4.25Å; L43-L495 HydrophobicContact CD1-CD2 3.8Å; L43-L495 HydrophobicContact CD1-CG 4.45Å; L43-L495 HydrophobicContact CG-CD2 4.43Å; R467-L495 CarbonylContact C-O 3.59Å; R467-L495 VanDerWaalsContact CA-O 3.31Å; R467-L495 WeakPolarHBondContact CA-O 3.32Å; R467-L495 WeakPolarHBondContact CG-O 3.2Å; I468-L495 HydrophobicContact CD1-CB 4.32Å; I468-L495 HydrophobicContact CD1-CD2 4.13Å; I468-L495 HydrophobicContact CG1-CB 3.87Å; I468-L495 PolarHBondContact N-O 2.88Å; I468-L495 PolarHBondContact O-N 3.34Å; L495-F504 HydrophobicContact CD2-CE1 4.45Å; L495-F504 HydrophobicContact CD2-CZ 4.14Å; L495-F504 HydrophobicContact CG-CE1 4.45Å; L495-I541 HydrophobicContact CD2-CD1 3.79Å; L495-I541 HydrophobicContact CD2-CG2 4.18Å; L495-F549 HydrophobicContact CB-CB 4.3Å; L495-F549 HydrophobicContact CB-CD2 3.65Å; L495-F549 HydrophobicContact CB-CE2 4.18Å; L495-F549 HydrophobicContact CB-CG 4.12Å; L495-F549 HydrophobicContact CD2-CB 3.89Å; L495-F549 HydrophobicContact CD2-CD2 4.47Å; L495-F549 HydrophobicContact CD2-CG 4.1Å; L495-F549 HydrophobicContact CG-CB 4.5Å; L495-R551 VanDerWaalsContact CD1-CD 3.41Å |
| 496 | D | 91.3 | Very high | 77 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 138.3 | 175.6 | -77.7 | -61.1 | 0 | 0 | 0 | 111.3 | T41 L43 I465 R467 | T41-D496 PolarHBondContact O-N 3.05Å; T41-D496 PolarHBondContact OG1-OD2 3.17Å; T41-D496 VanDerWaalsContact OG1-OD2 3.09Å; L43-D496 WeakPolarHBondContact CB-O 3.47Å; L43-D496 PolarHBondContact N-O 3.46Å; I465-D496 HydrophobicContact CD1-CB 4.01Å; R467-D496 IonicContact CZ-OD1 3.8Å; R467-D496 IonicContact CZ-OD2 2.83Å; R467-D496 VanDerWaalsContact NE-CG 3.31Å; R467-D496 IonicContact NE-OD1 3.35Å; R467-D496 PolarHBondContact NE-OD1 3.22Å; R467-D496 IonicContact NE-OD2 3.66Å; R467-D496 PolarHBondContact NE-OD2 3.1Å; R467-D496 IonicContact NH2-OD1 2.75Å; R467-D496 PolarHBondContact NH2-OD1 3.48Å; R467-D496 IonicContact NH2-OD2 2.67Å; R467-D496 PolarHBondContact NH2-OD2 2.98Å |
| 497 | G | 91.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -68.7 | 150.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q42 G466 F504 | Q42-G497 PolarHBondContact NE2-O 2.77Å; G466-G497 PolarHBondContact O-N 2.94Å; G497-F504 VanDerWaalsContact CA-CG 3.41Å | ||
| 498 | P | 89.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | trans | -45.4 | 150.3 | 178.7 | -36 | 42.8 | 0 | 0 | 0 | 115.9 | Q42 L43 D45 N500 S501 Y539 | Q42-P498 VanDerWaalsContact NE2-C 3.29Å; L43-P498 HydrophobicContact CB-CG 4.35Å; L43-P498 HydrophobicContact CD2-CG 4.32Å; L43-P498 HydrophobicContact CG-CG 4.49Å; D45-P498 WeakPolarHBondContact OD1-CB 3.29Å; P498-N500 PolarHBondContact O-N 3.43Å; P498-N500 VanDerWaalsContact O-N 3.07Å; P498-S501 WeakPolarHBondContact CD-OG 3.36Å; P498-S501 PolarHBondContact O-N 3.06Å; P498-S501 PolarHBondContact O-OG 3.47Å; P498-Y539 HydrophobicContact CG-CE1 3.7Å | ||
| 499 | K | 82.8 | Confident | 84.9 | Confident | 104 Ų | 104 | 29.9 Ų | 29.9 | 45% | 0.452 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.5 | -176.8 | -67.9 | -169.8 | 173.4 | -171.3 | 0 | 112.9 | Q42 D446 | Q42-K499 VanDerWaalsContact NE2-N 3.19Å; D446-K499 IonicContact OD2-NZ 3.44Å; D446-K499 PolarHBondContact OD2-NZ 2.91Å |
| 500 | N | 79.3 | Confident | 87 | Confident | 112 Ų | 112 | 29.3 Ų | 29.3 | 60% | 0.599 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 9 | 177.5 | -63.1 | -41.9 | 0 | 0 | 0 | 113.7 | P498 I533 | P498-N500 PolarHBondContact O-N 3.43Å; P498-N500 VanDerWaalsContact O-N 3.07Å; N500-I533 VanDerWaalsContact O-CD1 3.27Å; N500-I533 WeakPolarHBondContact O-CD1 3.42Å |
| 501 | S | 85.2 | Confident | 89 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -99.9 | 173.4 | 175 | 77.9 | 0 | 0 | 0 | 0 | 112.1 | P498 S526 | P498-S501 WeakPolarHBondContact CD-OG 3.36Å; P498-S501 PolarHBondContact O-N 3.06Å; P498-S501 PolarHBondContact O-OG 3.47Å; S501-S526 WeakPolarHBondContact CB-OG 3.49Å | ||
| 502 | R | 89.9 | Confident | 90.6 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 13% | 0.125 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -136.7 | 143.7 | 175.7 | -66.8 | -69 | 177.9 | -92.3 | -2.4 | 110.1 | Y463 N464 F504 S526 I533 | Y463-R502 VanDerWaalsContact CB-CZ 3.4Å; Y463-R502 VanDerWaalsContact CG-NH2 3.28Å; N464-R502 WeakPolarHBondContact O-CA 3.39Å; R502-F504 PolarHBondContact O-N 2.94Å; R502-F504 VanDerWaalsContact O-N 3.15Å; R502-S526 CarbonylContact O-C 3.57Å; R502-S526 VanDerWaalsContact O-CA 3.26Å; R502-S526 WeakPolarHBondContact O-CA 3.39Å; R502-S526 WeakPolarHBondContact O-CB 3.45Å; R502-S526 PolarHBondContact O-OG 3.07Å; R502-I533 HydrophobicContact CG-CD1 3.56Å |
| 503 | N | 93.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 9% | 0.086 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 55.6 | 33.6 | 170.5 | -52.8 | -53.6 | 0 | 0 | 0 | 113.9 | P440 N464 G505 F506 P527 | P440-N503 HydrophobicContact CB-CB 4.06Å; P440-N503 WeakPolarHBondContact O-CA 3.22Å; N464-N503 PolarHBondContact O-N 2.88Å; N503-G505 PolarHBondContact O-N 2.96Å; N503-F506 HydrophobicContact CB-CB 4.26Å; N503-F506 HydrophobicContact CB-CD2 4.19Å; N503-F506 VanDerWaalsContact O-CB 3.25Å; N503-F506 WeakPolarHBondContact O-CB 3.35Å; N503-F506 PolarHBondContact O-N 3.07Å; N503-P527 HydrophobicContact CB-CG 4.2Å; N503-P527 PolarHBondContact ND2-O 2.84Å |
| 504 | F | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 127.7 | 178.5 | 178.2 | -99.8 | 0 | 0 | 0 | 111 | L43 P440 I465 G466 R467 I468 L495 G497 R502 V524 Y539 I541 | L43-F504 HydrophobicContact CD2-CE2 3.66Å; L43-F504 HydrophobicContact CD2-CZ 3.82Å; P440-F504 WeakPolarHBondContact CA-O 3.3Å; I465-F504 WeakPolarHBondContact O-CB 3.38Å; I465-F504 PolarHBondContact O-N 3.43Å; G466-F504 CarbonylContact C-O 3.55Å; G466-F504 VanDerWaalsContact C-O 3.27Å; G466-F504 VanDerWaalsContact CA-O 3.28Å; G466-F504 WeakPolarHBondContact CA-O 3.44Å; R467-F504 PolarHBondContact N-O 3.16Å; I468-F504 HydrophobicContact CB-CE1 4.48Å; I468-F504 HydrophobicContact CD1-CE1 4.06Å; I468-F504 HydrophobicContact CD1-CZ 4.14Å; I468-F504 HydrophobicContact CG1-CE1 3.95Å; I468-F504 HydrophobicContact CG2-CD1 4.3Å; I468-F504 HydrophobicContact CG2-CE1 3.98Å; L495-F504 HydrophobicContact CD2-CE1 4.45Å; L495-F504 HydrophobicContact CD2-CZ 4.14Å; L495-F504 HydrophobicContact CG-CE1 4.45Å; G497-F504 VanDerWaalsContact CA-CG 3.41Å; R502-F504 PolarHBondContact O-N 2.94Å; R502-F504 VanDerWaalsContact O-N 3.15Å; F504-V524 HydrophobicContact CD1-CG1 4.28Å; F504-V524 HydrophobicContact CD2-CB 4.43Å; F504-V524 HydrophobicContact CD2-CG1 3.72Å; F504-V524 HydrophobicContact CE1-CG1 4.09Å; F504-V524 HydrophobicContact CE2-CB 3.83Å; F504-V524 HydrophobicContact CE2-CG1 3.48Å; F504-V524 VanDerWaalsContact CE2-CG1 3.48Å; F504-V524 HydrophobicContact CG-CG1 4.11Å; F504-V524 HydrophobicContact CZ-CB 4.11Å; F504-V524 HydrophobicContact CZ-CG1 3.68Å; F504-V524 HydrophobicContact CZ-CG2 4.41Å; F504-Y539 AromaticContact CD2-CD2 3.67Å; F504-Y539 HydrophobicContact CD2-CD2 3.67Å; F504-Y539 HydrophobicContact CD2-CE2 4.06Å; F504-Y539 HydrophobicContact CD2-CG 4.41Å; F504-Y539 AromaticContact CE2-CD2 3.68Å; F504-Y539 HydrophobicContact CE2-CD2 3.68Å; F504-Y539 HydrophobicContact CE2-CE2 4.41Å; F504-Y539 AromaticContact CE2-CG 3.96Å; F504-Y539 HydrophobicContact CE2-CG 3.96Å; F504-I541 HydrophobicContact CE2-CD1 4Å; F504-I541 HydrophobicContact CZ-CD1 3.63Å |
| 505 | G | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 11.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S421 N503 G525 | S421-G505 PolarHBondContact OG-O 2.86Å; N503-G505 PolarHBondContact O-N 2.96Å; G505-G525 PolarHBondContact N-O 3.35Å |
| 506 | F | 96.3 | Very high | 90.5 | Very high | 45 Ų | 45 | 21.3 Ų | 21.3 | 20% | 0.197 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -62.8 | -44.6 | 176.2 | -167.5 | -83.9 | 0 | 0 | 0 | 111.7 | S421 P440 N503 G525 P527 L529 A568 | S421-F506 WeakPolarHBondContact CB-O 3.38Å; P440-F506 HydrophobicContact CB-CB 4.02Å; P440-F506 HydrophobicContact CB-CD2 4.05Å; P440-F506 HydrophobicContact CG-CD2 4.15Å; N503-F506 HydrophobicContact CB-CB 4.26Å; N503-F506 HydrophobicContact CB-CD2 4.19Å; N503-F506 VanDerWaalsContact O-CB 3.25Å; N503-F506 WeakPolarHBondContact O-CB 3.35Å; N503-F506 PolarHBondContact O-N 3.07Å; F506-G525 PolarHBondContact N-O 3.19Å; F506-P527 HydrophobicContact CB-CG 3.82Å; F506-P527 HydrophobicContact CD1-CG 4.07Å; F506-P527 HydrophobicContact CD2-CG 4.27Å; F506-P527 HydrophobicContact CG-CG 3.8Å; F506-L529 HydrophobicContact CD2-CD1 4.21Å; F506-L529 HydrophobicContact CE2-CD1 3.61Å; F506-L529 HydrophobicContact CZ-CD1 3.92Å; F506-A568 HydrophobicContact CD1-CB 4.07Å; F506-A568 WeakPolarHBondContact CD1-O 3.41Å; F506-A568 HydrophobicContact CE1-CB 3.92Å; F506-A568 WeakPolarHBondContact CE1-O 3.32Å |
| 507 | A | 97 | Very high | 90.2 | Very high | 9 Ų | 9 | 24 Ų | 24 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -127.8 | 153.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G525 L570 | A507-G525 PolarHBondContact O-N 2.91Å; A507-L570 HydrophobicContact CB-CB 4.09Å; A507-L570 HydrophobicContact CB-CD1 3.95Å; A507-L570 HydrophobicContact CB-CG 3.86Å |
| 508 | L | 97.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.3 | -178.1 | -61.4 | 173.2 | 0 | 0 | 0 | 109 | S421 L423 I436 I468 V524 | S421-L508 WeakPolarHBondContact OG-CD1 3.26Å; L423-L508 HydrophobicContact CB-CB 3.85Å; L423-L508 HydrophobicContact CB-CD1 4.04Å; L423-L508 HydrophobicContact CD2-CB 4.08Å; L423-L508 HydrophobicContact CG-CB 4.44Å; I436-L508 HydrophobicContact CB-CD1 4.42Å; I436-L508 HydrophobicContact CG2-CD1 3.82Å; I436-L508 HydrophobicContact CG2-CD2 4.34Å; I468-L508 HydrophobicContact CG2-CD2 3.95Å; L508-V524 HydrophobicContact CD2-CB 4.36Å; L508-V524 HydrophobicContact CD2-CG1 3.99Å; L508-V524 HydrophobicContact CD2-CG2 3.93Å |
| 509 | T | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.4 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | L423 L511 V522 A523 L570 P571 L585 | L423-T509 VanDerWaalsContact CD2-C 3.41Å; L423-T509 WeakPolarHBondContact CD2-O 3.07Å; T509-L511 HydrophobicContact CG2-CD2 4.19Å; T509-V522 WeakPolarHBondContact O-CA 3.26Å; T509-A523 HydrophobicContact CG2-CB 3.33Å; T509-A523 PolarHBondContact N-O 2.84Å; T509-A523 PolarHBondContact O-N 2.93Å; T509-L570 HydrophobicContact CG2-CB 4.38Å; T509-L570 HydrophobicContact CG2-CD1 4.14Å; T509-P571 WeakPolarHBondContact CB-O 3.17Å; T509-P571 PolarHBondContact OG1-O 2.85Å; T509-L585 HydrophobicContact CG2-CD1 4.02Å |
| 510 | N | 95.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.053 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.7 | 174.7 | -174.5 | -28.7 | 0 | 0 | 0 | 109 | L423 R424 G512 D520 S572 Y573 T574 | L423-N510 HydrophobicContact CD1-CB 3.95Å; L423-N510 HydrophobicContact CD2-CB 4.07Å; L423-N510 HydrophobicContact CG-CB 4.25Å; R424-N510 PolarHBondContact O-ND2 3.17Å; N510-G512 WeakPolarHBondContact OD1-CA 3.33Å; N510-G512 PolarHBondContact OD1-N 3.08Å; N510-D520 PolarHBondContact ND2-OD2 3.44Å; N510-D520 PolarHBondContact OD1-OD2 3.46Å; N510-S572 PolarHBondContact N-O 2.82Å; N510-Y573 HydrophobicContact CB-CD1 3.97Å; N510-Y573 HydrophobicContact CB-CE1 4.29Å; N510-T574 PolarHBondContact O-N 2.9Å; N510-T574 VanDerWaalsContact O-N 3.14Å; N510-T574 PolarHBondContact O-OG1 2.84Å |
| 511 | L | 94.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -6.4 | -178.8 | -60.5 | 175.5 | 0 | 0 | 0 | 113 | T509 Y514 D521 A523 L540 T574 | T509-L511 HydrophobicContact CG2-CD2 4.19Å; L511-Y514 HydrophobicContact CB-CD2 4.2Å; L511-Y514 HydrophobicContact CB-CG 4.45Å; L511-D521 HydrophobicContact CB-CB 4.3Å; L511-D521 WeakPolarHBondContact CB-O 3.42Å; L511-D521 HydrophobicContact CD1-CB 4.45Å; L511-D521 PolarHBondContact N-O 2.94Å; L511-A523 HydrophobicContact CD1-CB 4Å; L511-A523 HydrophobicContact CD2-CB 4.07Å; L511-A523 HydrophobicContact CG-CB 4.21Å; L511-L540 HydrophobicContact CD1-CB 4.34Å; L511-L540 HydrophobicContact CD1-CD2 3.97Å; L511-L540 HydrophobicContact CD1-CG 3.82Å; L511-T574 WeakPolarHBondContact CA-OG1 3.36Å; L511-T574 HydrophobicContact CD2-CG2 3.85Å |
| 512 | G | 90.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 13% | 0.134 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.9 | -171.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112 | N510 Y514 D521 | N510-G512 WeakPolarHBondContact OD1-CA 3.33Å; N510-G512 PolarHBondContact OD1-N 3.08Å; G512-Y514 PolarHBondContact O-N 2.81Å; G512-D521 PolarHBondContact O-N 2.94Å |
| 513 | D | 89.6 | Confident | 92.1 | Very high | 42 Ų | 42 | 14.8 Ų | 14.8 | 23% | 0.225 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -66.1 | 92 | 169.8 | 178.2 | 22.7 | 0 | 0 | 0 | 109.7 | G516 D517 G518 N519 K646 | D513-G516 VanDerWaalsContact OD1-C 3.28Å; D513-G516 WeakPolarHBondContact OD1-CA 3.22Å; D513-G516 PolarHBondContact OD1-N 2.81Å; D513-D517 PolarHBondContact OD1-N 3Å; D513-D517 VanDerWaalsContact OD1-N 3.14Å; D513-G518 PolarHBondContact OD1-N 3.33Å; D513-G518 VanDerWaalsContact OD1-N 3.14Å; D513-G518 WeakPolarHBondContact OD2-CA 3.49Å; D513-G518 PolarHBondContact OD2-N 3Å; D513-N519 VanDerWaalsContact CA-O 3.28Å; D513-N519 WeakPolarHBondContact CA-O 3.08Å; D513-K646 WeakPolarHBondContact O-CE 3.47Å; D513-K646 PolarHBondContact O-NZ 2.72Å |
| 514 | Y | 86.4 | Confident | 92.4 | Very high | 12 Ų | 12 | 14 Ų | 14 | 5% | 0.047 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -92.3 | -35.9 | -169.7 | -163.5 | -96.8 | 0 | 0 | 0 | 110.8 | L77 I78 L511 G512 D521 L540 I582 N583 S607 | L77-Y514 HydrophobicContact CB-CE1 3.76Å; L77-Y514 PolarHBondContact O-OH 3.07Å; I78-Y514 WeakPolarHBondContact CB-OH 3.4Å; I78-Y514 WeakPolarHBondContact CG1-OH 3.4Å; L511-Y514 HydrophobicContact CB-CD2 4.2Å; L511-Y514 HydrophobicContact CB-CG 4.45Å; G512-Y514 PolarHBondContact O-N 2.81Å; Y514-D521 WeakPolarHBondContact CA-OD2 3.4Å; Y514-D521 WeakPolarHBondContact CB-OD2 3.17Å; Y514-D521 PolarHBondContact N-OD2 2.79Å; Y514-L540 HydrophobicContact CE1-CD2 4.36Å; Y514-I582 HydrophobicContact CD2-CG2 3.61Å; Y514-I582 HydrophobicContact CE2-CG2 3.53Å; Y514-I582 HydrophobicContact CG-CG2 4.43Å; Y514-N583 WeakPolarHBondContact CE2-O 3.39Å; Y514-S607 VanDerWaalsContact OH-CA 3.29Å; Y514-S607 WeakPolarHBondContact OH-CA 3.46Å; Y514-S607 VanDerWaalsContact OH-CB 3.26Å; Y514-S607 WeakPolarHBondContact OH-CB 3.34Å |
| 515 | D | 84 | Confident | 92.5 | Very high | 11 Ų | 11 | 14 Ų | 14 | 6% | 0.059 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -93.1 | -14.7 | 178.1 | 102.8 | -31 | 0 | 0 | 0 | 114.7 | D517 D521 R542 L554 K610 | D515-D517 VanDerWaalsContact OD1-CB 3.31Å; D515-D517 WeakPolarHBondContact OD1-CB 3.44Å; D515-D517 PolarHBondContact OD1-N 2.92Å; D515-D521 PolarHBondContact N-OD2 2.86Å; D515-R542 IonicContact OD2-CZ 2.79Å; D515-R542 IonicContact OD2-NE 3.26Å; D515-R542 PolarHBondContact OD2-NE 3.21Å; D515-R542 IonicContact OD2-NH2 3.6Å; D515-R542 PolarHBondContact OD2-NH2 3.27Å; D515-L554 HydrophobicContact CB-CD1 4.28Å; D515-L554 HydrophobicContact CB-CD2 4.43Å; D515-K610 WeakPolarHBondContact O-CD 3.46Å; D515-K610 WeakPolarHBondContact O-CE 3.43Å; D515-K610 PolarHBondContact O-NZ 2.98Å |
| 516 | G | 80.4 | Confident | 92.5 | Very high | 25 Ų | 25 | 14 Ų | 14 | 26% | 0.258 | 9% | 0.089 | S | C | . | . | S | Bend | trans | 89.7 | 15.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D513 G518 | D513-G516 VanDerWaalsContact OD1-C 3.28Å; D513-G516 WeakPolarHBondContact OD1-CA 3.22Å; D513-G516 PolarHBondContact OD1-N 2.81Å; G516-G518 VanDerWaalsContact C-N 3.35Å |
| 517 | D | 84.2 | Confident | 92.5 | Very high | 57 Ų | 57 | 11.9 Ų | 11.9 | 31% | 0.305 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -79.6 | -16.5 | 174.5 | 93.2 | -7.4 | 0 | 0 | 0 | 113.8 | D513 D515 N519 | D513-D517 PolarHBondContact OD1-N 3Å; D513-D517 VanDerWaalsContact OD1-N 3.14Å; D515-D517 VanDerWaalsContact OD1-CB 3.31Å; D515-D517 WeakPolarHBondContact OD1-CB 3.44Å; D515-D517 PolarHBondContact OD1-N 2.92Å; D517-N519 VanDerWaalsContact OD1-CB 3.27Å; D517-N519 WeakPolarHBondContact OD1-CB 3.25Å; D517-N519 PolarHBondContact OD1-N 2.86Å; D517-N519 PolarHBondContact OD1-ND2 3.06Å; D517-N519 PolarHBondContact OD2-ND2 2.96Å |
| 518 | G | 84.5 | Confident | 92.2 | Very high | 26 Ų | 26 | 11.6 Ų | 11.6 | 27% | 0.268 | 8% | 0.076 | S | C | . | . | S | Bend | trans | 94.9 | 12.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D513 G516 | D513-G518 PolarHBondContact OD1-N 3.33Å; D513-G518 VanDerWaalsContact OD1-N 3.14Å; D513-G518 WeakPolarHBondContact OD2-CA 3.49Å; D513-G518 PolarHBondContact OD2-N 3Å; G516-G518 VanDerWaalsContact C-N 3.35Å |
| 519 | N | 91.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -108.9 | 154.2 | 167.4 | -55.5 | -63.3 | 0 | 0 | 0 | 109.8 | L427 K428 D513 D517 D521 I543 | L427-N519 HydrophobicContact CD2-CB 3.85Å; K428-N519 WeakPolarHBondContact CB-OD1 3.38Å; K428-N519 PolarHBondContact N-OD1 3.21Å; D513-N519 VanDerWaalsContact CA-O 3.28Å; D513-N519 WeakPolarHBondContact CA-O 3.08Å; D517-N519 VanDerWaalsContact OD1-CB 3.27Å; D517-N519 WeakPolarHBondContact OD1-CB 3.25Å; D517-N519 PolarHBondContact OD1-N 2.86Å; D517-N519 PolarHBondContact OD1-ND2 3.06Å; D517-N519 PolarHBondContact OD2-ND2 2.96Å; N519-D521 PolarHBondContact O-N 2.68Å; N519-I543 WeakPolarHBondContact CB-O 3.42Å; N519-I543 PolarHBondContact ND2-O 3.22Å |
| 520 | D | 92.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | trans | -70.9 | 127 | 171 | -73 | -11.1 | 0 | 0 | 0 | 110.8 | V425 H426 N510 I543 | V425-D520 HydrophobicContact CB-CB 4.08Å; V425-D520 HydrophobicContact CG1-CB 4.36Å; H426-D520 WeakPolarHBondContact CB-OD2 3.39Å; H426-D520 PolarHBondContact N-OD2 3.28Å; H426-D520 PolarHBondContact O-N 3.31Å; N510-D520 PolarHBondContact ND2-OD2 3.44Å; N510-D520 PolarHBondContact OD1-OD2 3.46Å; D520-I543 WeakPolarHBondContact O-CD1 3.34Å; D520-I543 WeakPolarHBondContact O-CG1 3.26Å | ||
| 521 | D | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 158.3 | 165.9 | -66.1 | -63 | 0 | 0 | 0 | 110.7 | L511 G512 Y514 D515 N519 R542 L554 | L511-D521 HydrophobicContact CB-CB 4.3Å; L511-D521 WeakPolarHBondContact CB-O 3.42Å; L511-D521 HydrophobicContact CD1-CB 4.45Å; L511-D521 PolarHBondContact N-O 2.94Å; G512-D521 PolarHBondContact O-N 2.94Å; Y514-D521 WeakPolarHBondContact CA-OD2 3.4Å; Y514-D521 WeakPolarHBondContact CB-OD2 3.17Å; Y514-D521 PolarHBondContact N-OD2 2.79Å; D515-D521 PolarHBondContact N-OD2 2.86Å; N519-D521 PolarHBondContact O-N 2.68Å; D521-R542 WeakPolarHBondContact OD1-CA 3.5Å; D521-R542 WeakPolarHBondContact OD1-CB 3.37Å; D521-L554 HydrophobicContact CB-CD1 4.3Å; D521-L554 WeakPolarHBondContact OD1-CD1 3.43Å |
| 522 | V | 96.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 149 | -177.1 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | L423 V425 I436 T509 V524 L540 I541 I543 | L423-V522 HydrophobicContact CD2-CB 4.28Å; L423-V522 HydrophobicContact CD2-CG1 3.65Å; V425-V522 HydrophobicContact CG1-CG1 3.59Å; I436-V522 HydrophobicContact CD1-CG1 3.86Å; I436-V522 HydrophobicContact CD1-CG2 4.15Å; T509-V522 WeakPolarHBondContact O-CA 3.26Å; V522-V524 HydrophobicContact CG2-CG2 4.3Å; V522-L540 CarbonylContact O-C 3.59Å; V522-L540 WeakPolarHBondContact O-CA 3.48Å; V522-I541 HydrophobicContact CG2-CB 4.24Å; V522-I541 PolarHBondContact N-O 3.47Å; V522-I541 PolarHBondContact O-N 2.9Å; V522-I543 HydrophobicContact CG1-CD1 4.03Å; V522-I543 HydrophobicContact CG2-CD1 4.49Å; V522-I543 HydrophobicContact CG2-CG1 4.48Å |
| 523 | A | 97.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T509 L511 I538 Y539 L540 L585 | T509-A523 HydrophobicContact CG2-CB 3.33Å; T509-A523 PolarHBondContact N-O 2.84Å; T509-A523 PolarHBondContact O-N 2.93Å; L511-A523 HydrophobicContact CD1-CB 4Å; L511-A523 HydrophobicContact CD2-CB 4.07Å; L511-A523 HydrophobicContact CG-CB 4.21Å; A523-I538 HydrophobicContact CB-CG2 3.65Å; A523-Y539 CarbonylContact C-O 3.57Å; A523-Y539 WeakPolarHBondContact CA-O 3.5Å; A523-L540 HydrophobicContact CB-CG 4.42Å; A523-L585 HydrophobicContact CB-CD2 4.39Å |
| 524 | V | 98.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.9 | -174.8 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | I468 F504 L508 V522 I538 Y539 I541 | I468-V524 HydrophobicContact CD1-CG2 3.96Å; I468-V524 HydrophobicContact CG2-CG1 3.91Å; F504-V524 HydrophobicContact CD1-CG1 4.28Å; F504-V524 HydrophobicContact CD2-CB 4.43Å; F504-V524 HydrophobicContact CD2-CG1 3.72Å; F504-V524 HydrophobicContact CE1-CG1 4.09Å; F504-V524 HydrophobicContact CE2-CB 3.83Å; F504-V524 HydrophobicContact CE2-CG1 3.48Å; F504-V524 VanDerWaalsContact CE2-CG1 3.48Å; F504-V524 HydrophobicContact CG-CG1 4.11Å; F504-V524 HydrophobicContact CZ-CB 4.11Å; F504-V524 HydrophobicContact CZ-CG1 3.68Å; F504-V524 HydrophobicContact CZ-CG2 4.41Å; L508-V524 HydrophobicContact CD2-CB 4.36Å; L508-V524 HydrophobicContact CD2-CG1 3.99Å; L508-V524 HydrophobicContact CD2-CG2 3.93Å; V522-V524 HydrophobicContact CG2-CG2 4.3Å; V524-I538 WeakPolarHBondContact O-CA 3.39Å; V524-Y539 PolarHBondContact N-O 3.47Å; V524-Y539 PolarHBondContact O-N 3.16Å; V524-I541 HydrophobicContact CB-CD1 4.3Å; V524-I541 HydrophobicContact CG2-CD1 3.85Å |
| 525 | G | 97.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 137.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | G505 F506 A507 G567 | G505-G525 PolarHBondContact N-O 3.35Å; F506-G525 PolarHBondContact N-O 3.19Å; A507-G525 PolarHBondContact O-N 2.91Å; G525-G567 VanDerWaalsContact CA-O 3.28Å; G525-G567 WeakPolarHBondContact CA-O 3.2Å |
| 526 | S | 96.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 71.9 | 178.5 | -162.3 | 0 | 0 | 0 | 0 | 110.2 | S501 R502 Y537 | S501-S526 WeakPolarHBondContact CB-OG 3.49Å; R502-S526 CarbonylContact O-C 3.57Å; R502-S526 VanDerWaalsContact O-CA 3.26Å; R502-S526 WeakPolarHBondContact O-CA 3.39Å; R502-S526 WeakPolarHBondContact O-CB 3.45Å; R502-S526 PolarHBondContact O-OG 3.07Å; S526-Y537 WeakPolarHBondContact CA-O 3.25Å; S526-Y537 WeakPolarHBondContact CB-O 3.14Å; S526-Y537 PolarHBondContact N-O 3.09Å; S526-Y537 PolarHBondContact O-N 3.13Å; S526-Y537 VanDerWaalsContact O-N 3.12Å |
| 527 | P | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -77 | 134.5 | -175.9 | 31.7 | -36.8 | 0 | 0 | 0 | 113.2 | N503 F506 L529 P564 A568 | N503-P527 HydrophobicContact CB-CG 4.2Å; N503-P527 PolarHBondContact ND2-O 2.84Å; F506-P527 HydrophobicContact CB-CG 3.82Å; F506-P527 HydrophobicContact CD1-CG 4.07Å; F506-P527 HydrophobicContact CD2-CG 4.27Å; F506-P527 HydrophobicContact CG-CG 3.8Å; P527-L529 VanDerWaalsContact C-N 3.28Å; P527-L529 HydrophobicContact CB-CD2 3.93Å; P527-L529 HydrophobicContact CB-CG 4.02Å; P527-L529 HydrophobicContact CG-CD1 4.42Å; P527-L529 HydrophobicContact CG-CD2 4.24Å; P527-L529 HydrophobicContact CG-CG 4.06Å; P527-L529 PolarHBondContact O-N 3.3Å; P527-L529 VanDerWaalsContact O-N 3.14Å; P527-P564 WeakPolarHBondContact CB-O 3.45Å; P527-A568 HydrophobicContact CB-CB 3.91Å; P527-A568 HydrophobicContact CG-CB 3.95Å | ||
| 528 | D | 91.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | trans | -86.6 | 65.7 | 171.3 | 179.4 | 32.1 | 0 | 0 | 0 | 110.1 | E530 N531 T532 I533 G534 S536 P564 | D528-E530 PolarHBondContact O-N 2.72Å; D528-E530 VanDerWaalsContact O-N 3.09Å; D528-N531 WeakPolarHBondContact O-CA 3.46Å; D528-N531 PolarHBondContact O-N 3.35Å; D528-N531 VanDerWaalsContact OD2-C 3.27Å; D528-N531 VanDerWaalsContact OD2-CA 3.32Å; D528-N531 WeakPolarHBondContact OD2-CA 3.34Å; D528-T532 VanDerWaalsContact CG-N 3.3Å; D528-T532 PolarHBondContact OD1-N 2.82Å; D528-T532 PolarHBondContact OD1-OG1 2.82Å; D528-T532 PolarHBondContact OD2-N 3.11Å; D528-I533 WeakPolarHBondContact OD2-CA 3.49Å; D528-I533 WeakPolarHBondContact OD2-CB 3.42Å; D528-I533 PolarHBondContact OD2-N 2.04Å; D528-G534 PolarHBondContact OD2-N 3.19Å; D528-S536 PolarHBondContact N-OG 2.97Å; D528-P564 CarbonylContact C-O 3.52Å; D528-P564 PolarHBondContact N-O 2.87Å; D528-P564 WeakPolarHBondContact O-CA 3.34Å; D528-P564 WeakPolarHBondContact O-CB 3.49Å | ||
| 529 | L | 88.3 | Confident | 91.9 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 40% | 0.398 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.2 | -172.7 | -64.6 | 173.9 | 0 | 0 | 0 | 114.5 | F506 P527 N531 P564 A568 | F506-L529 HydrophobicContact CD2-CD1 4.21Å; F506-L529 HydrophobicContact CE2-CD1 3.61Å; F506-L529 HydrophobicContact CZ-CD1 3.92Å; P527-L529 VanDerWaalsContact C-N 3.28Å; P527-L529 HydrophobicContact CB-CD2 3.93Å; P527-L529 HydrophobicContact CB-CG 4.02Å; P527-L529 HydrophobicContact CG-CD1 4.42Å; P527-L529 HydrophobicContact CG-CD2 4.24Å; P527-L529 HydrophobicContact CG-CG 4.06Å; P527-L529 PolarHBondContact O-N 3.3Å; P527-L529 VanDerWaalsContact O-N 3.14Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-P564 PolarHBondContact N-O 3.07Å; L529-A568 HydrophobicContact CD2-CB 4.17Å |
| 530 | E | 83.4 | Confident | 92.2 | Very high | 167 Ų | 167 | 29.8 Ų | 29.8 | 78% | 0.78 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.1 | 176.4 | -64 | -176 | 169.4 | 0 | 0 | 112.9 | D528 T532 | D528-E530 PolarHBondContact O-N 2.72Å; D528-E530 VanDerWaalsContact O-N 3.09Å; E530-T532 VanDerWaalsContact C-N 3.31Å; E530-T532 HydrophobicContact CB-CG2 3.68Å; E530-T532 PolarHBondContact O-N 3.49Å |
| 531 | N | 83.1 | Confident | 92.3 | Very high | 65 Ų | 65 | 28.5 Ų | 28.5 | 35% | 0.348 | 14% | 0.142 | S | C | . | . | trans | 52.2 | 44.6 | -176.9 | -163.2 | 74.2 | 0 | 0 | 0 | 113 | D528 L529 P564 | D528-N531 WeakPolarHBondContact O-CA 3.46Å; D528-N531 PolarHBondContact O-N 3.35Å; D528-N531 VanDerWaalsContact OD2-C 3.27Å; D528-N531 VanDerWaalsContact OD2-CA 3.32Å; D528-N531 WeakPolarHBondContact OD2-CA 3.34Å; L529-N531 VanDerWaalsContact C-N 3.34Å; N531-P564 HydrophobicContact CB-CB 4.13Å | ||
| 532 | T | 80.9 | Confident | 92.3 | Very high | 78 Ų | 78 | 30.6 Ų | 30.6 | 48% | 0.479 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -85.7 | -32.7 | -175.4 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | D528 E530 | D528-T532 VanDerWaalsContact CG-N 3.3Å; D528-T532 PolarHBondContact OD1-N 2.82Å; D528-T532 PolarHBondContact OD1-OG1 2.82Å; D528-T532 PolarHBondContact OD2-N 3.11Å; E530-T532 VanDerWaalsContact C-N 3.31Å; E530-T532 HydrophobicContact CB-CG2 3.68Å; E530-T532 PolarHBondContact O-N 3.49Å |
| 533 | I | 81.5 | Confident | 92.2 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -97.2 | -30.8 | 176.9 | -60.5 | 154.2 | 0 | 0 | 0 | 109.7 | N500 R502 D528 Y535 | N500-I533 VanDerWaalsContact O-CD1 3.27Å; N500-I533 WeakPolarHBondContact O-CD1 3.42Å; R502-I533 HydrophobicContact CG-CD1 3.56Å; D528-I533 WeakPolarHBondContact OD2-CA 3.49Å; D528-I533 WeakPolarHBondContact OD2-CB 3.42Å; D528-I533 PolarHBondContact OD2-N 2.04Å; I533-Y535 VanDerWaalsContact C-N 3.33Å |
| 534 | G | 84.8 | Confident | 91.9 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 84.8 | 3.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D528 N562 | D528-G534 PolarHBondContact OD2-N 3.19Å; G534-N562 PolarHBondContact O-N 2.83Å |
| 535 | Y | 90.7 | Very high | 91.3 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | trans | -141.4 | 138.4 | 173.1 | -62.5 | -78.2 | 0 | 0 | 0 | 109.8 | I533 R558 K561 | I533-Y535 VanDerWaalsContact C-N 3.33Å; Y535-R558 HydrophobicContact CD1-CG 4.06Å; Y535-R558 HydrophobicContact CG-CG 4.31Å; Y535-K561 HydrophobicContact CD1-CB 4.49Å; Y535-K561 HydrophobicContact CE1-CB 3.68Å; Y535-K561 HydrophobicContact CE1-CG 4.06Å | ||
| 536 | S | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -106.7 | 160.9 | 172.6 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | D528 S559 S563 P564 F566 | D528-S536 PolarHBondContact N-OG 2.97Å; S536-S559 PolarHBondContact N-OG 2.8Å; S536-S559 WeakPolarHBondContact O-CB 3.41Å; S536-S559 PolarHBondContact O-N 2.84Å; S536-S563 PolarHBondContact OG-O 3.46Å; S536-P564 PolarHBondContact OG-O 2.68Å; S536-F566 WeakPolarHBondContact CB-O 3.39Å | ||
| 537 | Y | 95.5 | Very high | 90.3 | Very high | 50 Ų | 50 | 40.7 Ų | 40.7 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.6 | -173.9 | -60.1 | -86.3 | 0 | 0 | 0 | 113 | S526 Y539 I556 L557 R558 | S526-Y537 WeakPolarHBondContact CA-O 3.25Å; S526-Y537 WeakPolarHBondContact CB-O 3.14Å; S526-Y537 PolarHBondContact N-O 3.09Å; S526-Y537 PolarHBondContact O-N 3.13Å; S526-Y537 VanDerWaalsContact O-N 3.12Å; Y537-Y539 HydrophobicContact CG-CE2 4.45Å; Y537-I556 HydrophobicContact CD1-CG2 3.8Å; Y537-L557 CarbonylContact C-O 3.59Å; Y537-L557 VanDerWaalsContact CA-O 3.3Å; Y537-L557 WeakPolarHBondContact CA-O 3.4Å; Y537-R558 HydrophobicContact CD1-CB 4.04Å; Y537-R558 HydrophobicContact CD1-CG 4.14Å; Y537-R558 HydrophobicContact CE1-CB 3.87Å; Y537-R558 HydrophobicContact CE1-CG 3.59Å |
| 538 | I | 97.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.5 | 163 | -59.3 | 162.3 | 0 | 0 | 0 | 107.6 | A523 V524 L557 F566 L570 V587 | A523-I538 HydrophobicContact CB-CG2 3.65Å; V524-I538 WeakPolarHBondContact O-CA 3.39Å; I538-L557 HydrophobicContact CB-CB 4.24Å; I538-L557 PolarHBondContact N-O 3.3Å; I538-L557 PolarHBondContact O-N 2.99Å; I538-F566 HydrophobicContact CB-CE1 4.43Å; I538-F566 HydrophobicContact CD1-CD1 4.18Å; I538-F566 HydrophobicContact CD1-CE1 3.58Å; I538-F566 HydrophobicContact CD1-CE2 4.34Å; I538-F566 HydrophobicContact CD1-CZ 3.67Å; I538-F566 HydrophobicContact CG1-CD1 4.24Å; I538-F566 HydrophobicContact CG1-CE1 3.73Å; I538-F566 HydrophobicContact CG1-CZ 4.31Å; I538-L570 HydrophobicContact CD1-CD2 3.8Å; I538-L570 HydrophobicContact CG2-CD1 4.5Å; I538-V587 HydrophobicContact CD1-CB 4.36Å; I538-V587 HydrophobicContact CD1-CG1 3.84Å; I538-V587 HydrophobicContact CD1-CG2 3.55Å |
| 539 | Y | 97.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.8 | -178.9 | -62.7 | -90.6 | 0 | 0 | 0 | 109.5 | L43 P498 F504 A523 V524 Y537 P553 I556 | L43-Y539 HydrophobicContact CD2-CD1 3.64Å; L43-Y539 HydrophobicContact CD2-CE1 4.32Å; L43-Y539 HydrophobicContact CD2-CG 3.82Å; P498-Y539 HydrophobicContact CG-CE1 3.7Å; F504-Y539 AromaticContact CD2-CD2 3.67Å; F504-Y539 HydrophobicContact CD2-CD2 3.67Å; F504-Y539 HydrophobicContact CD2-CE2 4.06Å; F504-Y539 HydrophobicContact CD2-CG 4.41Å; F504-Y539 AromaticContact CE2-CD2 3.68Å; F504-Y539 HydrophobicContact CE2-CD2 3.68Å; F504-Y539 HydrophobicContact CE2-CE2 4.41Å; F504-Y539 AromaticContact CE2-CG 3.96Å; F504-Y539 HydrophobicContact CE2-CG 3.96Å; A523-Y539 CarbonylContact C-O 3.57Å; A523-Y539 WeakPolarHBondContact CA-O 3.5Å; V524-Y539 PolarHBondContact N-O 3.47Å; V524-Y539 PolarHBondContact O-N 3.16Å; Y537-Y539 HydrophobicContact CG-CE2 4.45Å; Y539-P553 HydrophobicContact CD1-CG 4.13Å; Y539-I556 HydrophobicContact CD1-CD1 4.22Å; Y539-I556 HydrophobicContact CD1-CG1 3.75Å; Y539-I556 HydrophobicContact CD1-CG2 4.17Å; Y539-I556 HydrophobicContact CE1-CD1 4.01Å; Y539-I556 HydrophobicContact CE1-CG1 3.94Å; Y539-I556 HydrophobicContact CE1-CG2 3.9Å |
| 540 | L | 96.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.2 | 170.8 | -74.3 | 71.2 | 0 | 0 | 0 | 107.8 | I78 L511 Y514 V522 A523 P553 L554 H555 L557 | I78-L540 HydrophobicContact CG2-CD2 4.02Å; L511-L540 HydrophobicContact CD1-CB 4.34Å; L511-L540 HydrophobicContact CD1-CD2 3.97Å; L511-L540 HydrophobicContact CD1-CG 3.82Å; Y514-L540 HydrophobicContact CE1-CD2 4.36Å; V522-L540 CarbonylContact O-C 3.59Å; V522-L540 WeakPolarHBondContact O-CA 3.48Å; A523-L540 HydrophobicContact CB-CG 4.42Å; L540-P553 CarbonylContact O-C 3.55Å; L540-P553 VanDerWaalsContact O-CA 3.29Å; L540-P553 WeakPolarHBondContact O-CA 3.3Å; L540-P553 WeakPolarHBondContact O-CB 3.46Å; L540-L554 HydrophobicContact CB-CB 4.21Å; L540-L554 PolarHBondContact O-N 3.09Å; L540-H555 HydrophobicContact CB-CB 4.5Å; L540-H555 HydrophobicContact CD2-CB 4.49Å; L540-H555 PolarHBondContact N-O 3.4Å; L540-L557 HydrophobicContact CD1-CD1 4.01Å; L540-L557 HydrophobicContact CD1-CG 3.92Å |
| 541 | I | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.6 | -166.5 | -54.4 | -178.8 | 0 | 0 | 0 | 109.7 | L43 L495 F504 V522 V524 F549 | L43-I541 HydrophobicContact CD1-CD1 4.21Å; L43-I541 HydrophobicContact CD2-CD1 3.79Å; L495-I541 HydrophobicContact CD2-CD1 3.79Å; L495-I541 HydrophobicContact CD2-CG2 4.18Å; F504-I541 HydrophobicContact CE2-CD1 4Å; F504-I541 HydrophobicContact CZ-CD1 3.63Å; V522-I541 HydrophobicContact CG2-CB 4.24Å; V522-I541 PolarHBondContact N-O 3.47Å; V522-I541 PolarHBondContact O-N 2.9Å; V524-I541 HydrophobicContact CB-CD1 4.3Å; V524-I541 HydrophobicContact CG2-CD1 3.85Å; I541-F549 HydrophobicContact CG2-CB 4.38Å; I541-F549 HydrophobicContact CG2-CD1 4.23Å |
| 542 | R | 95.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 32 Ų | 32 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | trans | -79.1 | 141.1 | 174.4 | -177.5 | -166.1 | -69.4 | 123.4 | -6.1 | 111.4 | D515 D521 L544 D550 L554 | D515-R542 IonicContact OD2-CZ 2.79Å; D515-R542 IonicContact OD2-NE 3.26Å; D515-R542 PolarHBondContact OD2-NE 3.21Å; D515-R542 IonicContact OD2-NH2 3.6Å; D515-R542 PolarHBondContact OD2-NH2 3.27Å; D521-R542 WeakPolarHBondContact OD1-CA 3.5Å; D521-R542 WeakPolarHBondContact OD1-CB 3.37Å; R542-L544 HydrophobicContact CG-CD2 4.35Å; R542-D550 HydrophobicContact CB-CB 3.93Å; R542-D550 IonicContact CZ-OD2 3.91Å; R542-D550 IonicContact NH1-OD2 2.74Å; R542-D550 PolarHBondContact NH1-OD2 3.18Å; R542-D550 PolarHBondContact O-N 2.98Å; R542-L554 HydrophobicContact CB-CD1 4.34Å; R542-L554 HydrophobicContact CB-CD2 4.28Å; R542-L554 HydrophobicContact CB-CG 4.2Å | ||
| 543 | I | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.7 | 168.3 | -45 | 176.1 | 0 | 0 | 0 | 109.2 | V425 L427 I436 L470 N519 D520 V522 F549 | V425-I543 HydrophobicContact CB-CD1 4.08Å; V425-I543 HydrophobicContact CG1-CD1 4Å; V425-I543 HydrophobicContact CG2-CD1 3.8Å; L427-I543 HydrophobicContact CD1-CG2 3.86Å; L427-I543 HydrophobicContact CD2-CB 3.65Å; L427-I543 HydrophobicContact CD2-CD1 4.13Å; L427-I543 HydrophobicContact CD2-CG2 3.47Å; L427-I543 VanDerWaalsContact CD2-CG2 3.47Å; L427-I543 HydrophobicContact CG-CG2 4.34Å; I436-I543 HydrophobicContact CD1-CD1 3.71Å; L470-I543 HydrophobicContact CD2-CG2 3.71Å; N519-I543 WeakPolarHBondContact CB-O 3.42Å; N519-I543 PolarHBondContact ND2-O 3.22Å; D520-I543 WeakPolarHBondContact O-CD1 3.34Å; D520-I543 WeakPolarHBondContact O-CG1 3.26Å; V522-I543 HydrophobicContact CG1-CD1 4.03Å; V522-I543 HydrophobicContact CG2-CD1 4.49Å; V522-I543 HydrophobicContact CG2-CG1 4.48Å; I543-F549 HydrophobicContact CG1-CD1 4.39Å |
| 544 | L | 91.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 25.6 Ų | 25.6 | 28% | 0.283 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 147.9 | -177 | -56.9 | 175 | 0 | 0 | 0 | 110.9 | R542 N546 C547 K548 D550 | R542-L544 HydrophobicContact CG-CD2 4.35Å; L544-N546 VanDerWaalsContact CB-OD1 3.23Å; L544-N546 WeakPolarHBondContact CB-OD1 3.42Å; L544-N546 PolarHBondContact O-N 3.21Å; L544-C547 PolarHBondContact O-N 2.94Å; L544-K548 WeakPolarHBondContact CB-O 3.06Å; L544-K548 PolarHBondContact N-O 2.9Å; L544-D550 HydrophobicContact CD2-CB 4.41Å; L544-D550 HydrophobicContact CG-CB 4.46Å |
| 545 | S | 85.6 | Confident | 93.3 | Very high | 76 Ų | 76 | 26.1 Ų | 26.1 | 53% | 0.531 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.7 | -178.3 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | C547 | S545-C547 VanDerWaalsContact C-N 3.31Š|
| 546 | N | 86.3 | Confident | 93.5 | Very high | 84 Ų | 84 | 23.7 Ų | 23.7 | 45% | 0.449 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 11.3 | 170.9 | 65.3 | -5.5 | 0 | 0 | 0 | 113.5 | L544 K548 | L544-N546 VanDerWaalsContact CB-OD1 3.23Å; L544-N546 WeakPolarHBondContact CB-OD1 3.42Å; L544-N546 PolarHBondContact O-N 3.21Å; N546-K548 WeakPolarHBondContact OD1-CB 3.2Å; N546-K548 PolarHBondContact OD1-N 3.44Å |
| 547 | C | 87.9 | Confident | 93.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 49.7 | -172.7 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | L427 Y431 L470 C472 I492 L544 S545 | L427-C547 HydrophobicContact CD1-CB 4.38Å; Y431-C547 HydrophobicContact CE1-CB 4.09Å; Y431-C547 HydrophobicContact CE2-CB 4.08Å; L470-C547 HydrophobicContact CD2-CB 4.47Å; C472-C547 HydrophobicContact CB-CB 3.89Å; C472-C547 WeakPolarHBondContact CB-SG 3.44Å; C472-C547 WeakPolarHBondContact SG-CB 3.09Å; C472-C547 CovalentContact SG-SG 2.03Å; C472-C547 PolarHBondContact SG-SG 3.1Å; I492-C547 HydrophobicContact CD1-CB 4.14Å; I492-C547 VanDerWaalsContact CD1-SG 3.5Å; I492-C547 HydrophobicContact CG2-CB 4.06Å; I492-C547 WeakPolarHBondContact CG2-O 3.41Å; L544-C547 PolarHBondContact O-N 2.94Å; S545-C547 VanDerWaalsContact C-N 3.31Å |
| 548 | K | 91.1 | Very high | 93.5 | Very high | 51 Ų | 51 | 29.3 Ų | 29.3 | 22% | 0.222 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155 | 167.1 | -64.9 | -164.8 | -179.3 | -171 | 0 | 110.9 | E39 D493 L544 N546 | E39-K548 IonicContact OE1-NZ 3.53Å; E39-K548 PolarHBondContact OE1-NZ 3.36Å; E39-K548 IonicContact OE2-NZ 2.83Å; E39-K548 PolarHBondContact OE2-NZ 3.44Å; D493-K548 HydrophobicContact CB-CB 4.37Å; D493-K548 HydrophobicContact CB-CG 4.21Å; D493-K548 VanDerWaalsContact OD2-CA 3.25Å; D493-K548 WeakPolarHBondContact OD2-CA 3.01Å; D493-K548 WeakPolarHBondContact OD2-CB 3.44Å; L544-K548 WeakPolarHBondContact CB-O 3.06Å; L544-K548 PolarHBondContact N-O 2.9Å; N546-K548 WeakPolarHBondContact OD1-CB 3.2Å; N546-K548 PolarHBondContact OD1-N 3.44Å |
| 549 | F | 94.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 141.5 | 167.4 | -61.7 | -72.6 | 0 | 0 | 0 | 110.9 | I436 I468 L470 D493 L495 I541 I543 R551 | I436-F549 HydrophobicContact CD1-CE1 3.8Å; I436-F549 HydrophobicContact CD1-CZ 4.19Å; I436-F549 HydrophobicContact CG1-CE1 4.14Å; I436-F549 HydrophobicContact CG1-CZ 4.03Å; I436-F549 HydrophobicContact CG2-CZ 4.18Å; I468-F549 HydrophobicContact CB-CZ 4.39Å; I468-F549 HydrophobicContact CD1-CD1 4.07Å; I468-F549 HydrophobicContact CD1-CD2 4.47Å; I468-F549 HydrophobicContact CD1-CE1 3.53Å; I468-F549 HydrophobicContact CD1-CE2 3.97Å; I468-F549 HydrophobicContact CD1-CG 4.49Å; I468-F549 HydrophobicContact CD1-CZ 3.45Å; I468-F549 VanDerWaalsContact CD1-CZ 3.45Å; I468-F549 HydrophobicContact CG1-CD2 4.42Å; I468-F549 HydrophobicContact CG1-CE1 4.2Å; I468-F549 HydrophobicContact CG1-CE2 3.73Å; I468-F549 HydrophobicContact CG1-CZ 3.59Å; L470-F549 HydrophobicContact CB-CD2 4.3Å; L470-F549 HydrophobicContact CB-CE1 4.41Å; L470-F549 HydrophobicContact CB-CE2 3.52Å; L470-F549 HydrophobicContact CB-CZ 3.6Å; L470-F549 HydrophobicContact CG-CZ 4.49Å; D493-F549 PolarHBondContact OD2-N 2.8Å; L495-F549 HydrophobicContact CB-CB 4.3Å; L495-F549 HydrophobicContact CB-CD2 3.65Å; L495-F549 HydrophobicContact CB-CE2 4.18Å; L495-F549 HydrophobicContact CB-CG 4.12Å; L495-F549 HydrophobicContact CD2-CB 3.89Å; L495-F549 HydrophobicContact CD2-CD2 4.47Å; L495-F549 HydrophobicContact CD2-CG 4.1Å; L495-F549 HydrophobicContact CG-CB 4.5Å; I541-F549 HydrophobicContact CG2-CB 4.38Å; I541-F549 HydrophobicContact CG2-CD1 4.23Å; I543-F549 HydrophobicContact CG1-CD1 4.39Å; F549-R551 PolarHBondContact O-N 3.23Å; F549-R551 PolarHBondContact O-NH1 2.84Å |
| 550 | D | 94 | Very high | 92.6 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.08 | 15% | 0.154 | C | C | . | . | trans | -64 | 132.8 | 161.7 | -161.1 | -32.3 | 0 | 0 | 0 | 109.5 | Y48 R542 L544 T552 | Y48-D550 WeakPolarHBondContact CE2-OD2 3.33Å; Y48-D550 PolarHBondContact OH-OD2 3.11Å; R542-D550 HydrophobicContact CB-CB 3.93Å; R542-D550 IonicContact CZ-OD2 3.91Å; R542-D550 IonicContact NH1-OD2 2.74Å; R542-D550 PolarHBondContact NH1-OD2 3.18Å; R542-D550 PolarHBondContact O-N 2.98Å; L544-D550 HydrophobicContact CD2-CB 4.41Å; L544-D550 HydrophobicContact CG-CB 4.46Å; D550-T552 PolarHBondContact O-N 3.05Å; D550-T552 PolarHBondContact OD1-N 3.01Å | ||
| 551 | R | 93.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -79.9 | -8.1 | 178.4 | -57.6 | -51.3 | -166.4 | -113.7 | 10.5 | 112.5 | S40 N44 D493 Y494 L495 F549 | S40-R551 VanDerWaalsContact O-CD 3.25Å; S40-R551 WeakPolarHBondContact O-CD 3.3Å; S40-R551 PolarHBondContact O-NE 3.11Å; N44-R551 VanDerWaalsContact CB-O 3.23Å; N44-R551 WeakPolarHBondContact CB-O 3.36Å; N44-R551 PolarHBondContact N-O 3.49Å; D493-R551 IonicContact OD1-CZ 3.6Å; D493-R551 IonicContact OD1-NH1 2.68Å; D493-R551 IonicContact OD1-NH2 2.68Å; D493-R551 PolarHBondContact OD1-NH2 3.07Å; D493-R551 IonicContact OD2-CZ 2.82Å; D493-R551 IonicContact OD2-NH1 3.76Å; D493-R551 PolarHBondContact OD2-NH1 3.36Å; D493-R551 IonicContact OD2-NH2 3.79Å; D493-R551 PolarHBondContact OD2-NH2 2.84Å; Y494-R551 PolarHBondContact O-NH2 3.08Å; L495-R551 VanDerWaalsContact CD1-CD 3.41Å; F549-R551 PolarHBondContact O-N 3.23Å; F549-R551 PolarHBondContact O-NH1 2.84Å |
| 552 | T | 95 | Very high | 91.4 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 14% | 0.135 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -109.9 | 120 | 173.5 | -54.5 | 0 | 0 | 0 | 0 | 109 | Y48 L51 D550 | Y48-T552 HydrophobicContact CD1-CG2 4.24Å; Y48-T552 HydrophobicContact CD2-CG2 3.71Å; Y48-T552 HydrophobicContact CE1-CG2 4.27Å; Y48-T552 HydrophobicContact CE2-CG2 3.75Å; Y48-T552 WeakPolarHBondContact CE2-O 3.3Å; Y48-T552 HydrophobicContact CG-CG2 3.97Å; L51-T552 HydrophobicContact CD1-CG2 3.79Å; D550-T552 PolarHBondContact O-N 3.05Å; D550-T552 PolarHBondContact OD1-N 3.01Å |
| 553 | P | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -56.3 | 144.1 | 173.6 | -20.3 | 28.6 | 0 | 0 | 0 | 111.4 | L43 K46 S47 Y48 Y539 L540 I556 | L43-P553 HydrophobicContact CD1-CG 3.78Å; L43-P553 HydrophobicContact CD2-CG 4.03Å; L43-P553 HydrophobicContact CG-CG 3.87Å; K46-P553 WeakPolarHBondContact O-CD 3.46Å; S47-P553 CarbonylContact C-O 3.59Å; S47-P553 WeakPolarHBondContact CA-O 3.37Å; S47-P553 VanDerWaalsContact CB-O 3.31Å; S47-P553 WeakPolarHBondContact CB-O 3.47Å; Y48-P553 WeakPolarHBondContact CD2-O 3.19Å; Y48-P553 PolarHBondContact N-O 2.84Å; Y539-P553 HydrophobicContact CD1-CG 4.13Å; L540-P553 CarbonylContact O-C 3.55Å; L540-P553 VanDerWaalsContact O-CA 3.29Å; L540-P553 WeakPolarHBondContact O-CA 3.3Å; L540-P553 WeakPolarHBondContact O-CB 3.46Å; P553-I556 HydrophobicContact CB-CG1 3.97Å; P553-I556 HydrophobicContact CG-CD1 4.17Å; P553-I556 HydrophobicContact CG-CG1 4.08Å | ||
| 554 | L | 93.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -59.2 | -50.9 | 165.4 | -70.3 | 178.3 | 0 | 0 | 0 | 109.8 | Y48 T49 L77 D515 D521 L540 R542 | Y48-L554 HydrophobicContact CD2-CD2 4.29Å; T49-L554 WeakPolarHBondContact CG2-O 3.32Å; L77-L554 HydrophobicContact CD1-CB 4.31Å; D515-L554 HydrophobicContact CB-CD1 4.28Å; D515-L554 HydrophobicContact CB-CD2 4.43Å; D521-L554 HydrophobicContact CB-CD1 4.3Å; D521-L554 WeakPolarHBondContact OD1-CD1 3.43Å; L540-L554 HydrophobicContact CB-CB 4.21Å; L540-L554 PolarHBondContact O-N 3.09Å; R542-L554 HydrophobicContact CB-CD1 4.34Å; R542-L554 HydrophobicContact CB-CD2 4.28Å; R542-L554 HydrophobicContact CB-CG 4.2Å |
| 555 | H | 94 | Very high | 90.8 | Very high | 19 Ų | 19 | 38 Ų | 38 | 9% | 0.088 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 162 | 177.3 | -169.9 | 53.7 | 0 | 0 | 0 | 110.8 | T49 L540 | T49-H555 HydrophobicContact CG2-CB 4.06Å; T49-H555 WeakPolarHBondContact CG2-ND1 3.22Å; T49-H555 PolarHBondContact OG1-ND1 3.22Å; L540-H555 HydrophobicContact CB-CB 4.5Å; L540-H555 HydrophobicContact CD2-CB 4.49Å; L540-H555 PolarHBondContact N-O 3.4Å |
| 556 | I | 95.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.1 | 178 | -58.8 | 164.5 | 0 | 0 | 0 | 108.7 | D45 Y537 Y539 P553 | D45-I556 WeakPolarHBondContact O-CD1 3.47Å; Y537-I556 HydrophobicContact CD1-CG2 3.8Å; Y539-I556 HydrophobicContact CD1-CD1 4.22Å; Y539-I556 HydrophobicContact CD1-CG1 3.75Å; Y539-I556 HydrophobicContact CD1-CG2 4.17Å; Y539-I556 HydrophobicContact CE1-CD1 4.01Å; Y539-I556 HydrophobicContact CE1-CG1 3.94Å; Y539-I556 HydrophobicContact CE1-CG2 3.9Å; P553-I556 HydrophobicContact CB-CG1 3.97Å; P553-I556 HydrophobicContact CG-CD1 4.17Å; P553-I556 HydrophobicContact CG-CG1 4.08Å |
| 557 | L | 94.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.1 | 171.7 | -57.1 | 178.8 | 0 | 0 | 0 | 109.1 | I78 Y537 I538 L540 F566 L585 Y605 | I78-L557 HydrophobicContact CG2-CD1 4.39Å; I78-L557 HydrophobicContact CG2-CD2 3.8Å; I78-L557 HydrophobicContact CG2-CG 4.46Å; Y537-L557 CarbonylContact C-O 3.59Å; Y537-L557 VanDerWaalsContact CA-O 3.3Å; Y537-L557 WeakPolarHBondContact CA-O 3.4Å; I538-L557 HydrophobicContact CB-CB 4.24Å; I538-L557 PolarHBondContact N-O 3.3Å; I538-L557 PolarHBondContact O-N 2.99Å; L540-L557 HydrophobicContact CD1-CD1 4.01Å; L540-L557 HydrophobicContact CD1-CG 3.92Å; L557-F566 HydrophobicContact CB-CE1 4.45Å; L557-F566 HydrophobicContact CB-CZ 4.22Å; L557-L585 HydrophobicContact CD1-CD2 3.94Å; L557-Y605 HydrophobicContact CD1-CD1 3.98Å; L557-Y605 HydrophobicContact CD1-CD2 4.08Å; L557-Y605 HydrophobicContact CD1-CE1 4.04Å; L557-Y605 HydrophobicContact CD1-CE2 4.09Å; L557-Y605 HydrophobicContact CD1-CG 4.02Å; L557-Y605 HydrophobicContact CD2-CD1 3.81Å; L557-Y605 HydrophobicContact CD2-CE1 3.67Å; L557-Y605 HydrophobicContact CG-CE1 4.32Å |
| 558 | R | 93.1 | Very high | 91.9 | Very high | 161 Ų | 161 | 30.6 Ų | 30.6 | 61% | 0.608 | 15% | 0.145 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.8 | 175.5 | -177.3 | -178.6 | 65.7 | -149 | -5 | 109.3 | Y535 Y537 | Y535-R558 HydrophobicContact CD1-CG 4.06Å; Y535-R558 HydrophobicContact CG-CG 4.31Å; Y537-R558 HydrophobicContact CD1-CB 4.04Å; Y537-R558 HydrophobicContact CD1-CG 4.14Å; Y537-R558 HydrophobicContact CE1-CB 3.87Å; Y537-R558 HydrophobicContact CE1-CG 3.59Å |
| 559 | S | 91.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 162.5 | 176.8 | 76 | 0 | 0 | 0 | 0 | 112.8 | S536 F566 | S536-S559 PolarHBondContact N-OG 2.8Å; S536-S559 WeakPolarHBondContact O-CB 3.41Å; S536-S559 PolarHBondContact O-N 2.84Å; S559-F566 VanDerWaalsContact CB-CG 3.46Å |
| 560 | P | 86.3 | Confident | 92.2 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 29% | 0.292 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -54.2 | 161.1 | 154 | -22.1 | 34.4 | 0 | 0 | 0 | 111.3 | S563 M589 I603 | P560-S563 WeakPolarHBondContact O-CB 3.38Å; P560-S563 PolarHBondContact O-OG 3.28Å; P560-M589 HydrophobicContact CB-SD 4.44Å; P560-M589 HydrophobicContact CG-CE 4.2Å; P560-M589 HydrophobicContact CG-SD 3.91Å; P560-I603 HydrophobicContact CG-CD1 4.01Å |
| 561 | K | 85.3 | Confident | 92.3 | Very high | 135 Ų | 135 | 30.8 Ų | 30.8 | 59% | 0.587 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 137.2 | -178.6 | -172.6 | 179.6 | 179.5 | -177.8 | 0 | 110.7 | Y535 | Y535-K561 HydrophobicContact CD1-CB 4.49Å; Y535-K561 HydrophobicContact CE1-CB 3.68Å; Y535-K561 HydrophobicContact CE1-CG 4.06Å |
| 562 | N | 82.8 | Confident | 92 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 34.7 | -176.5 | -54.2 | -23.6 | 0 | 0 | 0 | 114.2 | G534 P564 I592 | G534-N562 PolarHBondContact O-N 2.83Å; N562-P564 VanDerWaalsContact C-CD 3.42Å; N562-P564 WeakPolarHBondContact O-CD 3.05Å; N562-I592 WeakPolarHBondContact O-CD1 3.26Å |
| 563 | S | 87.1 | Confident | 91.8 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -108.8 | 76.3 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | S536 P560 D565 F566 M589 | S536-S563 PolarHBondContact OG-O 3.46Å; P560-S563 WeakPolarHBondContact O-CB 3.38Å; P560-S563 PolarHBondContact O-OG 3.28Å; S563-D565 VanDerWaalsContact C-N 3.29Å; S563-D565 PolarHBondContact O-N 3.21Å; S563-F566 PolarHBondContact O-N 3.17Å; S563-M589 WeakPolarHBondContact CB-SD 3.45Å; S563-M589 PolarHBondContact OG-SD 3.38Å | ||
| 564 | P | 89.2 | Confident | 91.7 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 25% | 0.253 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.5 | -169.3 | 29.2 | -37.9 | 0 | 0 | 0 | 114.5 | P527 D528 L529 N531 S536 N562 | P527-P564 WeakPolarHBondContact CB-O 3.45Å; D528-P564 CarbonylContact C-O 3.52Å; D528-P564 PolarHBondContact N-O 2.87Å; D528-P564 WeakPolarHBondContact O-CA 3.34Å; D528-P564 WeakPolarHBondContact O-CB 3.49Å; L529-P564 PolarHBondContact N-O 3.07Å; N531-P564 HydrophobicContact CB-CB 4.13Å; S536-P564 PolarHBondContact OG-O 2.68Å; N562-P564 VanDerWaalsContact C-CD 3.42Å; N562-P564 WeakPolarHBondContact O-CD 3.05Å |
| 565 | D | 90.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -3.3 | -177.8 | 71 | -42.4 | 0 | 0 | 0 | 113.9 | S563 G567 A568 S590 | S563-D565 VanDerWaalsContact C-N 3.29Å; S563-D565 PolarHBondContact O-N 3.21Å; D565-G567 PolarHBondContact O-N 3.29Å; D565-A568 HydrophobicContact CB-CB 4.41Å; D565-A568 WeakPolarHBondContact O-CB 3.4Å; D565-A568 PolarHBondContact O-N 2.94Å; D565-S590 WeakPolarHBondContact OD2-CB 2.98Å; D565-S590 PolarHBondContact OD2-N 2.72Å; D565-S590 PolarHBondContact OD2-OG 3.16Å |
| 566 | F | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 122.9 | 176.5 | 174.2 | -85.7 | 0 | 0 | 0 | 110.1 | S536 I538 L557 S559 S563 A568 V587 I603 Y605 | S536-F566 WeakPolarHBondContact CB-O 3.39Å; I538-F566 HydrophobicContact CB-CE1 4.43Å; I538-F566 HydrophobicContact CD1-CD1 4.18Å; I538-F566 HydrophobicContact CD1-CE1 3.58Å; I538-F566 HydrophobicContact CD1-CE2 4.34Å; I538-F566 HydrophobicContact CD1-CZ 3.67Å; I538-F566 HydrophobicContact CG1-CD1 4.24Å; I538-F566 HydrophobicContact CG1-CE1 3.73Å; I538-F566 HydrophobicContact CG1-CZ 4.31Å; L557-F566 HydrophobicContact CB-CE1 4.45Å; L557-F566 HydrophobicContact CB-CZ 4.22Å; S559-F566 VanDerWaalsContact CB-CG 3.46Å; S563-F566 PolarHBondContact O-N 3.17Å; F566-A568 VanDerWaalsContact C-N 3.35Å; F566-V587 HydrophobicContact CD2-CB 4.41Å; F566-V587 HydrophobicContact CD2-CG1 3.62Å; F566-V587 HydrophobicContact CE2-CB 4.02Å; F566-V587 HydrophobicContact CE2-CG1 3.65Å; F566-V587 HydrophobicContact CE2-CG2 4.35Å; F566-V587 HydrophobicContact CG-CG1 4.28Å; F566-V587 HydrophobicContact CZ-CG1 4.33Å; F566-I603 HydrophobicContact CD2-CD1 4.42Å; F566-I603 HydrophobicContact CE2-CD1 4.16Å; F566-Y605 HydrophobicContact CE2-CE2 4.15Å; F566-Y605 WeakPolarHBondContact CE2-OH 2.83Å; F566-Y605 HydrophobicContact CZ-CE2 4.24Å; F566-Y605 WeakPolarHBondContact CZ-OH 3.4Å |
| 567 | G | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 4.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G525 D565 | G525-G567 VanDerWaalsContact CA-O 3.28Å; G525-G567 WeakPolarHBondContact CA-O 3.2Å; D565-G567 PolarHBondContact O-N 3.29Å |
| 568 | A | 95 | Very high | 90.9 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | F506 P527 L529 D565 F566 | F506-A568 HydrophobicContact CD1-CB 4.07Å; F506-A568 WeakPolarHBondContact CD1-O 3.41Å; F506-A568 HydrophobicContact CE1-CB 3.92Å; F506-A568 WeakPolarHBondContact CE1-O 3.32Å; P527-A568 HydrophobicContact CB-CB 3.91Å; P527-A568 HydrophobicContact CG-CB 3.95Å; L529-A568 HydrophobicContact CD2-CB 4.17Å; D565-A568 HydrophobicContact CB-CB 4.41Å; D565-A568 WeakPolarHBondContact O-CB 3.4Å; D565-A568 PolarHBondContact O-N 2.94Å; F566-A568 VanDerWaalsContact C-N 3.35Å |
| 569 | H | 95 | Very high | 90.6 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 24% | 0.241 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -132.3 | 122.7 | 177.3 | -52.1 | 100.1 | 0 | 0 | 0 | 108.9 | W119 T120 P588 | W119-H569 PolarHBondContact O-CE1 2.87Å; W119-H569 PolarHBondContact O-ND1 2.83Å; W119-H569 VanDerWaalsContact O-ND1 3.12Å; T120-H569 PolarHBondContact O-CD2 3.44Å; H569-P588 HydrophobicContact CB-CG 4.17Å; H569-P588 WeakPolarHBondContact O-CD 3.3Å |
| 570 | L | 96.4 | Very high | 90.1 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | trans | -133.1 | 150.7 | 179.2 | -62.3 | 176.1 | 0 | 0 | 0 | 108.6 | A507 T509 I538 V587 | A507-L570 HydrophobicContact CB-CB 4.09Å; A507-L570 HydrophobicContact CB-CD1 3.95Å; A507-L570 HydrophobicContact CB-CG 3.86Å; T509-L570 HydrophobicContact CG2-CB 4.38Å; T509-L570 HydrophobicContact CG2-CD1 4.14Å; I538-L570 HydrophobicContact CD1-CD2 3.8Å; I538-L570 HydrophobicContact CG2-CD1 4.5Å; L570-V587 HydrophobicContact CD2-CG1 4.4Å; L570-V587 HydrophobicContact CD2-CG2 4.23Å | ||
| 571 | P | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -69.2 | 147.7 | 176.9 | 32.2 | -37.1 | 0 | 0 | 0 | 109.8 | I122 I124 T509 Y573 L585 | I122-P571 HydrophobicContact CG2-CB 4.4Å; I124-P571 HydrophobicContact CD1-CB 4.23Å; I124-P571 HydrophobicContact CD1-CG 3.74Å; I124-P571 HydrophobicContact CG1-CB 4.1Å; I124-P571 HydrophobicContact CG1-CG 4.17Å; T509-P571 WeakPolarHBondContact CB-O 3.17Å; T509-P571 PolarHBondContact OG1-O 2.85Å; P571-Y573 VanDerWaalsContact C-N 3.27Å; P571-Y573 PolarHBondContact O-N 3.16Å; P571-L585 HydrophobicContact CG-CD1 4.43Å | ||
| 572 | S | 89.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 23.8 Ų | 23.8 | 22% | 0.224 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -63.2 | -36.7 | 177.9 | -57 | 0 | 0 | 0 | 0 | 112.5 | Q216 L423 N510 | Q216-S572 PolarHBondContact NE2-OG 3.23Å; L423-S572 WeakPolarHBondContact CD1-O 3.3Å; N510-S572 PolarHBondContact N-O 2.82Å |
| 573 | Y | 90.7 | Very high | 90.4 | Very high | 80 Ų | 80 | 23.7 Ų | 23.7 | 31% | 0.314 | 13% | 0.133 | S | C | . | . | B | Isolated β-bridge | trans | -131.2 | 142.2 | 175.8 | -60.1 | -81.1 | 0 | 0 | 0 | 109.3 | N510 P571 | N510-Y573 HydrophobicContact CB-CD1 3.97Å; N510-Y573 HydrophobicContact CB-CE1 4.29Å; P571-Y573 VanDerWaalsContact C-N 3.27Å; P571-Y573 PolarHBondContact O-N 3.16Å |
| 574 | T | 93.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | trans | -86 | 166.8 | 166.2 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | N510 L511 N583 D584 L585 | N510-T574 PolarHBondContact O-N 2.9Å; N510-T574 VanDerWaalsContact O-N 3.14Å; N510-T574 PolarHBondContact O-OG1 2.84Å; L511-T574 WeakPolarHBondContact CA-OG1 3.36Å; L511-T574 HydrophobicContact CD2-CG2 3.85Å; T574-N583 PolarHBondContact O-ND2 2.82Å; T574-N583 WeakPolarHBondContact OG1-CB 3.25Å; T574-N583 PolarHBondContact OG1-ND2 3.02Å; T574-N583 VanDerWaalsContact OG1-ND2 3.09Å; T574-D584 WeakPolarHBondContact CB-O 3.01Å; T574-D584 WeakPolarHBondContact CG2-O 3.47Å; T574-L585 HydrophobicContact CG2-CD1 4Å | ||
| 575 | D | 92.1 | Very high | 91 | Very high | 21 Ų | 21 | 21.8 Ų | 21.8 | 11% | 0.112 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -147.5 | 162.6 | 176.5 | -157.4 | -7.5 | 0 | 0 | 0 | 108.6 | I124 F125 T126 K219 L577 D584 | I124-D575 HydrophobicContact CG2-CB 4.27Å; F125-D575 WeakPolarHBondContact CA-OD2 3.34Å; T126-D575 WeakPolarHBondContact CB-OD2 3.43Å; T126-D575 HydrophobicContact CG2-CB 4.01Å; T126-D575 VanDerWaalsContact CG2-CG 3.43Å; T126-D575 WeakPolarHBondContact CG2-OD2 3.48Å; T126-D575 PolarHBondContact N-OD2 3.36Å; T126-D575 PolarHBondContact OG1-OD1 2.9Å; T126-D575 PolarHBondContact OG1-OD2 2.9Å; K219-D575 IonicContact NZ-OD1 2.58Å; D575-L577 PolarHBondContact O-N 2.92Å; D575-D584 PolarHBondContact O-N 2.84Å |
| 576 | D | 91.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 20.8 Ų | 20.8 | 13% | 0.134 | 12% | 0.116 | C | C | . | . | trans | -82.8 | 96 | -173.8 | 177.6 | 7.3 | 0 | 0 | 0 | 110.9 | T126 F579 N580 G581 | T126-D576 WeakPolarHBondContact CG2-O 3.33Å; D576-F579 VanDerWaalsContact CG-CA 3.49Å; D576-F579 WeakPolarHBondContact OD1-CA 3.18Å; D576-F579 PolarHBondContact OD1-N 2.95Å; D576-F579 WeakPolarHBondContact OD2-CA 3.47Å; D576-N580 PolarHBondContact OD1-N 3.43Å; D576-N580 PolarHBondContact OD2-N 3.38Å; D576-G581 WeakPolarHBondContact OD2-CA 3.44Å; D576-G581 PolarHBondContact OD2-N 3.49Å | ||
| 577 | L | 90.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -84.7 | -26 | -170.4 | -66.9 | 174 | 0 | 0 | 0 | 113.2 | I124 T126 G133 F186 D575 F579 D584 V586 | I124-L577 HydrophobicContact CG2-CD1 4.12Å; I124-L577 HydrophobicContact CG2-CD2 3.71Å; I124-L577 HydrophobicContact CG2-CG 4.13Å; T126-L577 HydrophobicContact CG2-CD2 4.25Å; G133-L577 VanDerWaalsContact CA-CD2 3.49Å; F186-L577 HydrophobicContact CD2-CB 4.49Å; F186-L577 HydrophobicContact CE2-CB 4.2Å; D575-L577 PolarHBondContact O-N 2.92Å; L577-F579 WeakPolarHBondContact O-CE2 3.39Å; L577-D584 WeakPolarHBondContact CA-OD2 3.09Å; L577-D584 HydrophobicContact CB-CB 4.13Å; L577-D584 WeakPolarHBondContact CB-OD2 3.39Å; L577-D584 HydrophobicContact CD1-CB 4.1Å; L577-D584 HydrophobicContact CG-CB 4.2Å; L577-D584 PolarHBondContact N-OD2 3.06Å; L577-V586 HydrophobicContact CD1-CG2 3.75Å |
| 578 | D | 86.4 | Confident | 91.1 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 8% | 0.08 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -96.2 | -8.1 | 176.2 | 83.6 | -11.8 | 0 | 0 | 0 | 114 | F186 N580 D584 | F186-D578 HydrophobicContact CB-CB 4.17Å; F186-D578 HydrophobicContact CD1-CB 3.3Å; F186-D578 HydrophobicContact CD2-CB 4.33Å; F186-D578 HydrophobicContact CE1-CB 3.67Å; F186-D578 HydrophobicContact CG-CB 3.69Å; F186-D578 HydrophobicContact CZ-CB 4.32Å; D578-N580 WeakPolarHBondContact OD1-CB 3.38Å; D578-N580 PolarHBondContact OD1-N 2.65Å; D578-N580 PolarHBondContact OD1-ND2 3.06Å; D578-N580 PolarHBondContact OD2-ND2 2.82Å; D578-D584 PolarHBondContact N-OD2 2.68Å |
| 579 | F | 86.5 | Confident | 90.6 | Very high | 44 Ų | 44 | 20.8 Ų | 20.8 | 19% | 0.193 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 67 | 42.2 | -179.2 | -56 | -87.3 | 0 | 0 | 0 | 113.2 | T126 E128 K131 R132 W176 D576 L577 | T126-F579 HydrophobicContact CG2-CE1 4.21Å; T126-F579 HydrophobicContact CG2-CZ 4.02Å; E128-F579 HydrophobicContact CG-CE1 4.46Å; K131-F579 HydrophobicContact CB-CD2 3.92Å; K131-F579 HydrophobicContact CB-CE2 3.97Å; K131-F579 HydrophobicContact CB-CG 4.31Å; K131-F579 HydrophobicContact CB-CZ 4.38Å; K131-F579 HydrophobicContact CG-CG 4.43Å; K131-F579 VanDerWaalsContact O-CE2 3.31Å; K131-F579 WeakPolarHBondContact O-CE2 3.27Å; R132-F579 VanDerWaalsContact N-CZ 3.33Å; W176-F579 HydrophobicContact CB-CD2 4.5Å; D576-F579 VanDerWaalsContact CG-CA 3.49Å; D576-F579 WeakPolarHBondContact OD1-CA 3.18Å; D576-F579 PolarHBondContact OD1-N 2.95Å; D576-F579 WeakPolarHBondContact OD2-CA 3.47Å; L577-F579 WeakPolarHBondContact O-CE2 3.39Å |
| 580 | N | 79.8 | Confident | 90 | Very high | 37 Ų | 37 | 18.9 Ų | 18.9 | 20% | 0.198 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -96.4 | -10.2 | 178 | 83.5 | 46.1 | 0 | 0 | 0 | 115.2 | D576 D578 I582 S607 Y609 | D576-N580 PolarHBondContact OD1-N 3.43Å; D576-N580 PolarHBondContact OD2-N 3.38Å; D578-N580 WeakPolarHBondContact OD1-CB 3.38Å; D578-N580 PolarHBondContact OD1-N 2.65Å; D578-N580 PolarHBondContact OD1-ND2 3.06Å; D578-N580 PolarHBondContact OD2-ND2 2.82Å; N580-I582 VanDerWaalsContact OD1-CB 3.29Å; N580-I582 WeakPolarHBondContact OD1-CB 3.03Å; N580-I582 WeakPolarHBondContact OD1-CG1 3.42Å; N580-I582 PolarHBondContact OD1-N 3.19Å; N580-S607 PolarHBondContact ND2-O 3.49Å; N580-S607 PolarHBondContact ND2-OG 2.73Å; N580-S607 VanDerWaalsContact ND2-OG 3.12Å; N580-Y609 WeakPolarHBondContact O-CE2 3.4Å |
| 581 | G | 82 | Confident | 88.8 | Confident | 43 Ų | 43 | 20.4 Ų | 20.4 | 44% | 0.443 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 93.7 | 10.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D576 K646 | D576-G581 WeakPolarHBondContact OD2-CA 3.44Å; D576-G581 PolarHBondContact OD2-N 3.49Å; G581-K646 PolarHBondContact O-NZ 2.98Å; G581-K646 VanDerWaalsContact O-NZ 3.16Å |
| 582 | I | 87.3 | Confident | 87.4 | Confident | 8 Ų | 8 | 22.7 Ų | 22.7 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -133.4 | 139.1 | 175.1 | -50.7 | 176.4 | 0 | 0 | 0 | 107.7 | Y514 N580 S607 Y609 | Y514-I582 HydrophobicContact CD2-CG2 3.61Å; Y514-I582 HydrophobicContact CE2-CG2 3.53Å; Y514-I582 HydrophobicContact CG-CG2 4.43Å; N580-I582 VanDerWaalsContact OD1-CB 3.29Å; N580-I582 WeakPolarHBondContact OD1-CB 3.03Å; N580-I582 WeakPolarHBondContact OD1-CG1 3.42Å; N580-I582 PolarHBondContact OD1-N 3.19Å; I582-S607 PolarHBondContact O-OG 3.47Å; I582-Y609 HydrophobicContact CD1-CD2 4.39Å |
| 583 | N | 92.2 | Very high | 85.9 | Confident | 43 Ų | 43 | 28.1 Ų | 28.1 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | trans | -74.9 | 146.7 | -175.4 | -61.5 | -0.6 | 0 | 0 | 0 | 112.1 | Y514 T574 | Y514-N583 WeakPolarHBondContact CE2-O 3.39Å; T574-N583 PolarHBondContact O-ND2 2.82Å; T574-N583 WeakPolarHBondContact OG1-CB 3.25Å; T574-N583 PolarHBondContact OG1-ND2 3.02Å; T574-N583 VanDerWaalsContact OG1-ND2 3.09Å | ||
| 584 | D | 93.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -104.7 | 154.6 | 178.5 | -60.4 | -46.4 | 0 | 0 | 0 | 111.9 | T574 D575 L577 D578 A606 S607 | T574-D584 WeakPolarHBondContact CB-O 3.01Å; T574-D584 WeakPolarHBondContact CG2-O 3.47Å; D575-D584 PolarHBondContact O-N 2.84Å; L577-D584 WeakPolarHBondContact CA-OD2 3.09Å; L577-D584 HydrophobicContact CB-CB 4.13Å; L577-D584 WeakPolarHBondContact CB-OD2 3.39Å; L577-D584 HydrophobicContact CD1-CB 4.1Å; L577-D584 HydrophobicContact CG-CB 4.2Å; L577-D584 PolarHBondContact N-OD2 3.06Å; D578-D584 PolarHBondContact N-OD2 2.68Å; D584-A606 WeakPolarHBondContact OD1-CA 3.24Å; D584-S607 WeakPolarHBondContact OD1-CB 3.26Å; D584-S607 PolarHBondContact OD1-N 2.84Å; D584-S607 PolarHBondContact OD1-OG 2.85Å |
| 585 | L | 95.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.8 | -177.1 | 179.1 | 63.5 | 0 | 0 | 0 | 110.9 | I78 T509 A523 L557 P571 T574 V587 Y605 | I78-L585 HydrophobicContact CD1-CB 3.85Å; T509-L585 HydrophobicContact CG2-CD1 4.02Å; A523-L585 HydrophobicContact CB-CD2 4.39Å; L557-L585 HydrophobicContact CD1-CD2 3.94Å; P571-L585 HydrophobicContact CG-CD1 4.43Å; T574-L585 HydrophobicContact CG2-CD1 4Å; L585-V587 HydrophobicContact CD2-CG2 4.18Å; L585-V587 HydrophobicContact CG-CG2 4.04Å; L585-Y605 PolarHBondContact N-O 2.81Å; L585-Y605 WeakPolarHBondContact O-CA 3.17Å; L585-Y605 WeakPolarHBondContact O-CB 3.45Å; L585-Y605 PolarHBondContact O-N 2.92Å |
| 586 | V | 94.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.7 | 169.1 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | I122 I124 I135 L577 I602 I603 V604 | I122-V586 HydrophobicContact CD1-CB 3.85Å; I122-V586 HydrophobicContact CD1-CG1 3.61Å; I124-V586 HydrophobicContact CD1-CB 3.74Å; I124-V586 HydrophobicContact CD1-CG2 3.74Å; I124-V586 HydrophobicContact CG1-CB 4.46Å; I124-V586 HydrophobicContact CG1-CG2 4.47Å; I135-V586 HydrophobicContact CD1-CB 4.47Å; I135-V586 HydrophobicContact CD1-CG1 4.05Å; I135-V586 HydrophobicContact CD1-CG2 3.77Å; I135-V586 HydrophobicContact CG1-CG2 4.17Å; I135-V586 HydrophobicContact CG2-CG1 4.25Å; L577-V586 HydrophobicContact CD1-CG2 3.75Å; V586-I602 HydrophobicContact CG1-CB 4.13Å; V586-I602 HydrophobicContact CG1-CG2 4.31Å; V586-I603 WeakPolarHBondContact CA-O 3.39Å; V586-V604 HydrophobicContact CG1-CG2 4.2Å; V586-V604 HydrophobicContact CG2-CG1 4.23Å; V586-V604 HydrophobicContact CG2-CG2 4.03Å |
| 587 | V | 94.2 | Very high | 77.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.1 | 178.5 | -172 | 0 | 0 | 0 | 0 | 109.2 | I538 F566 L570 L585 I602 I603 Y605 | I538-V587 HydrophobicContact CD1-CB 4.36Å; I538-V587 HydrophobicContact CD1-CG1 3.84Å; I538-V587 HydrophobicContact CD1-CG2 3.55Å; F566-V587 HydrophobicContact CD2-CB 4.41Å; F566-V587 HydrophobicContact CD2-CG1 3.62Å; F566-V587 HydrophobicContact CE2-CB 4.02Å; F566-V587 HydrophobicContact CE2-CG1 3.65Å; F566-V587 HydrophobicContact CE2-CG2 4.35Å; F566-V587 HydrophobicContact CG-CG1 4.28Å; F566-V587 HydrophobicContact CZ-CG1 4.33Å; L570-V587 HydrophobicContact CD2-CG1 4.4Å; L570-V587 HydrophobicContact CD2-CG2 4.23Å; L585-V587 HydrophobicContact CD2-CG2 4.18Å; L585-V587 HydrophobicContact CG-CG2 4.04Å; V587-I602 WeakPolarHBondContact O-CA 3.42Å; V587-I603 PolarHBondContact N-O 2.03Å; V587-I603 PolarHBondContact O-N 3.16Å; V587-Y605 HydrophobicContact CB-CE2 4.3Å; V587-Y605 HydrophobicContact CG2-CD2 3.98Å; V587-Y605 HydrophobicContact CG2-CE2 3.82Å |
| 588 | P | 91.4 | Very high | 75.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 151.4 | 172.6 | 33.7 | -33.7 | 0 | 0 | 0 | 111 | W119 I122 L137 H569 I602 | W119-P588 HydrophobicContact CB-CB 3.89Å; W119-P588 HydrophobicContact CB-CG 4.38Å; W119-P588 HydrophobicContact CG-CB 3.82Å; I122-P588 HydrophobicContact CB-CG 4.2Å; I122-P588 HydrophobicContact CD1-CG 4.35Å; I122-P588 HydrophobicContact CG2-CG 4.07Å; L137-P588 HydrophobicContact CD2-CB 4.11Å; H569-P588 HydrophobicContact CB-CG 4.17Å; H569-P588 WeakPolarHBondContact O-CD 3.3Å; P588-I602 HydrophobicContact CB-CG2 4.48Å |
| 589 | M | 86.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | trans | -142.5 | 125.8 | 177.9 | -171.4 | 176.6 | 72.5 | 0 | 0 | 110.4 | W119 P560 S563 S598 Q600 P601 I603 | W119-M589 VanDerWaalsContact CD1-C 3.46Å; W119-M589 VanDerWaalsContact CD1-O 3.3Å; W119-M589 PolarHBondContact NE1-O 3.33Å; P560-M589 HydrophobicContact CB-SD 4.44Å; P560-M589 HydrophobicContact CG-CE 4.2Å; P560-M589 HydrophobicContact CG-SD 3.91Å; S563-M589 WeakPolarHBondContact CB-SD 3.45Å; S563-M589 PolarHBondContact OG-SD 3.38Å; M589-S598 WeakPolarHBondContact CE-OG 3.23Å; M589-Q600 WeakPolarHBondContact CE-O 3.05Å; M589-P601 PolarHBondContact N-O 2.88Å; M589-I603 HydrophobicContact SD-CD1 4.49Å | ||
| 590 | S | 81.5 | Confident | 72.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -77 | 150 | -174.7 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | E118 W119 D565 I592 | E118-S590 WeakPolarHBondContact CA-OG 3.43Å; W119-S590 PolarHBondContact N-OG 3.15Å; W119-S590 VanDerWaalsContact N-OG 3.1Å; D565-S590 WeakPolarHBondContact OD2-CB 2.98Å; D565-S590 PolarHBondContact OD2-N 2.72Å; D565-S590 PolarHBondContact OD2-OG 3.16Å; S590-I592 PolarHBondContact O-N 3.29Å |
| 591 | P | 71.3 | Confident | 72.4 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 132.6 | -179.1 | -24.3 | 34.8 | 0 | 0 | 0 | 113.8 | ||
| 592 | I | 65.1 | Low | 72.6 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 143 | 179 | -52.7 | 173.2 | 0 | 0 | 0 | 110.2 | N562 S590 Q594 | N562-I592 WeakPolarHBondContact O-CD1 3.26Å; S590-I592 PolarHBondContact O-N 3.29Å; I592-Q594 HydrophobicContact CG2-CB 4.4Å; I592-Q594 PolarHBondContact O-N 3.33Å; I592-Q594 VanDerWaalsContact O-N 3.09Å |
| 593 | K | 58.6 | Low | 72.6 | Confident | 146 Ų | 146 | 46 Ų | 46 | 64% | 0.635 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -60.6 | -16.2 | 178.3 | -64.1 | -170.3 | -177.5 | -179.7 | 0 | 115.8 | L116 N595 | L116-K593 VanDerWaalsContact CD1-CE 3.48Å; L116-K593 HydrophobicContact CD2-CG 3.84Å; K593-N595 PolarHBondContact O-N 2.81Å |
| 594 | Q | 49.4 | Very low | 72.5 | Confident | 138 Ų | 138 | 44.3 Ų | 44.3 | 65% | 0.645 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -87.1 | 114.4 | -170.3 | -69.2 | -174.6 | -11.1 | 0 | 0 | 110.4 | I592 G596 | I592-Q594 HydrophobicContact CG2-CB 4.4Å; I592-Q594 PolarHBondContact O-N 3.33Å; I592-Q594 VanDerWaalsContact O-N 3.09Å; Q594-G596 PolarHBondContact O-N 3.18Å |
| 595 | N | 46.2 | Very low | 72.5 | Confident | 169 Ų | 169 | 44.8 Ų | 44.8 | 90% | 0.904 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 13.7 | 176.6 | -71.1 | -1.7 | 0 | 0 | 0 | 117.7 | K593 I597 | K593-N595 PolarHBondContact O-N 2.81Å; N595-I597 PolarHBondContact O-N 3.19Å |
| 596 | G | 44.8 | Very low | 72.3 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 6.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117 | Q594 | Q594-G596 PolarHBondContact O-N 3.18Š|
| 597 | I | 43.4 | Very low | 72 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 55% | 0.554 | 24% | 0.243 | S | C | * | . | trans | -136.1 | 110.5 | 171.4 | -41.3 | 178 | 0 | 0 | 0 | 108.9 | N595 D599 | N595-I597 PolarHBondContact O-N 3.19Å; I597-D599 WeakPolarHBondContact CG2-OD1 3.43Å | ||
| 598 | S | 48.8 | Very low | 71.5 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | trans | -82 | 116.7 | 147.4 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | N94 M589 Q600 | N94-S598 PolarHBondContact ND2-O 2.96Å; M589-S598 WeakPolarHBondContact CE-OG 3.23Å; S598-Q600 PolarHBondContact O-N 3.37Å; S598-Q600 VanDerWaalsContact O-N 3.16Å; S598-Q600 PolarHBondContact OG-O 2.7Å; S598-Q600 VanDerWaalsContact OG-O 3.11Å | ||
| 599 | D | 55.5 | Low | 70.7 | Confident | 111 Ų | 111 | 47.5 Ų | 47.5 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -70.1 | -5.8 | -179.5 | -70.8 | -41.1 | 0 | 0 | 0 | 112.7 | N90 I597 | N90-D599 WeakPolarHBondContact CB-O 3.2Å; N90-D599 PolarHBondContact ND2-O 2.75Å; I597-D599 WeakPolarHBondContact CG2-OD1 3.43Å |
| 600 | Q | 66.5 | Low | 70.4 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | trans | -138.5 | 103.9 | -178 | -60.7 | 175.3 | -59.2 | 0 | 0 | 110.8 | E80 N90 M589 S598 | E80-Q600 PolarHBondContact OE1-NE2 3.13Å; N90-Q600 WeakPolarHBondContact ND2-CA 3.4Å; M589-Q600 WeakPolarHBondContact CE-O 3.05Å; S598-Q600 PolarHBondContact O-N 3.37Å; S598-Q600 VanDerWaalsContact O-N 3.16Å; S598-Q600 PolarHBondContact OG-O 2.7Å; S598-Q600 VanDerWaalsContact OG-O 3.11Å | ||
| 601 | P | 73.8 | Confident | 70.4 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -79 | -21.9 | 171.2 | 30.7 | -32.7 | 0 | 0 | 0 | 112.8 | F93 W119 M589 | F93-P601 HydrophobicContact CB-CG 4.14Å; F93-P601 HydrophobicContact CD1-CB 4Å; F93-P601 HydrophobicContact CD1-CG 3.57Å; F93-P601 HydrophobicContact CD2-CG 4.29Å; F93-P601 HydrophobicContact CE1-CB 4.01Å; F93-P601 HydrophobicContact CE1-CG 4.03Å; F93-P601 HydrophobicContact CG-CG 3.73Å; W119-P601 HydrophobicContact CZ2-CB 4.15Å; W119-P601 PolarHBondContact NE1-O 2.79Å; M589-P601 PolarHBondContact N-O 2.88Å |
| 602 | I | 84.2 | Confident | 71.1 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.5 | 171.9 | 53.3 | 172.7 | 0 | 0 | 0 | 109.9 | I135 L137 F188 V586 V587 P588 V604 | I135-I602 HydrophobicContact CD1-CD1 4.02Å; L137-I602 HydrophobicContact CD1-CG2 3.6Å; L137-I602 HydrophobicContact CD2-CG2 3.79Å; L137-I602 HydrophobicContact CG-CG2 4.32Å; F188-I602 HydrophobicContact CE2-CD1 4.39Å; F188-I602 HydrophobicContact CZ-CD1 3.77Å; V586-I602 HydrophobicContact CG1-CB 4.13Å; V586-I602 HydrophobicContact CG1-CG2 4.31Å; V587-I602 WeakPolarHBondContact O-CA 3.42Å; P588-I602 HydrophobicContact CB-CG2 4.48Å; I602-V604 HydrophobicContact CD1-CG2 4.48Å |
| 603 | I | 88.2 | Confident | 72.3 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.1 | 169.6 | -53.1 | 179 | 0 | 0 | 0 | 107.2 | E80 P560 F566 V586 V587 M589 Y605 | E80-I603 HydrophobicContact CB-CG2 4.22Å; E80-I603 HydrophobicContact CG-CG2 3.66Å; P560-I603 HydrophobicContact CG-CD1 4.01Å; F566-I603 HydrophobicContact CD2-CD1 4.42Å; F566-I603 HydrophobicContact CE2-CD1 4.16Å; V586-I603 WeakPolarHBondContact CA-O 3.39Å; V587-I603 PolarHBondContact N-O 2.03Å; V587-I603 PolarHBondContact O-N 3.16Å; M589-I603 HydrophobicContact SD-CD1 4.49Å; I603-Y605 HydrophobicContact CB-CE2 3.91Å; I603-Y605 HydrophobicContact CG2-CD2 4.03Å; I603-Y605 HydrophobicContact CG2-CE1 4.24Å; I603-Y605 HydrophobicContact CG2-CE2 3.45Å; I603-Y605 VanDerWaalsContact CG2-CE2 3.45Å |
| 604 | V | 90.9 | Very high | 73.8 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.8 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | E80 C81 F86 I135 F186 V586 I602 | E80-V604 WeakPolarHBondContact CA-O 3.42Å; C81-V604 HydrophobicContact CB-CB 4.44Å; C81-V604 WeakPolarHBondContact CB-O 3.17Å; C81-V604 PolarHBondContact N-O 2.87Å; C81-V604 PolarHBondContact SG-O 3Å; C81-V604 VanDerWaalsContact SG-O 3.41Å; F86-V604 HydrophobicContact CD1-CB 4.19Å; F86-V604 HydrophobicContact CD1-CG2 4.09Å; F86-V604 HydrophobicContact CE1-CB 3.78Å; F86-V604 HydrophobicContact CE1-CG1 4.07Å; F86-V604 HydrophobicContact CE1-CG2 3.76Å; I135-V604 HydrophobicContact CD1-CG2 4.35Å; F186-V604 HydrophobicContact CE2-CG1 4.26Å; F186-V604 HydrophobicContact CZ-CG1 4.22Å; V586-V604 HydrophobicContact CG1-CG2 4.2Å; V586-V604 HydrophobicContact CG2-CG1 4.23Å; V586-V604 HydrophobicContact CG2-CG2 4.03Å; I602-V604 HydrophobicContact CD1-CG2 4.48Å |
| 605 | Y | 92.8 | Very high | 76 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.5 | 176.3 | -66.3 | -88.4 | 0 | 0 | 0 | 108.7 | Q79 E80 L557 F566 L585 V587 I603 | Q79-Y605 CarbonylContact O-C 3.5Å; Q79-Y605 VanDerWaalsContact O-CA 3.24Å; Q79-Y605 WeakPolarHBondContact O-CA 3.43Å; E80-Y605 HydrophobicContact CB-CD1 4.08Å; E80-Y605 HydrophobicContact CB-CE1 3.88Å; L557-Y605 HydrophobicContact CD1-CD1 3.98Å; L557-Y605 HydrophobicContact CD1-CD2 4.08Å; L557-Y605 HydrophobicContact CD1-CE1 4.04Å; L557-Y605 HydrophobicContact CD1-CE2 4.09Å; L557-Y605 HydrophobicContact CD1-CG 4.02Å; L557-Y605 HydrophobicContact CD2-CD1 3.81Å; L557-Y605 HydrophobicContact CD2-CE1 3.67Å; L557-Y605 HydrophobicContact CG-CE1 4.32Å; F566-Y605 HydrophobicContact CE2-CE2 4.15Å; F566-Y605 WeakPolarHBondContact CE2-OH 2.83Å; F566-Y605 HydrophobicContact CZ-CE2 4.24Å; F566-Y605 WeakPolarHBondContact CZ-OH 3.4Å; L585-Y605 PolarHBondContact N-O 2.81Å; L585-Y605 WeakPolarHBondContact O-CA 3.17Å; L585-Y605 WeakPolarHBondContact O-CB 3.45Å; L585-Y605 PolarHBondContact O-N 2.92Å; V587-Y605 HydrophobicContact CB-CE2 4.3Å; V587-Y605 HydrophobicContact CG2-CD2 3.98Å; V587-Y605 HydrophobicContact CG2-CE2 3.82Å; I603-Y605 HydrophobicContact CB-CE2 3.91Å; I603-Y605 HydrophobicContact CG2-CD2 4.03Å; I603-Y605 HydrophobicContact CG2-CE1 4.24Å; I603-Y605 HydrophobicContact CG2-CE2 3.45Å; I603-Y605 VanDerWaalsContact CG2-CE2 3.45Å |
| 606 | A | 91.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 143 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I78 Q79 F186 D584 W756 | I78-A606 WeakPolarHBondContact CA-O 3.32Å; I78-A606 VanDerWaalsContact CG1-O 3.26Å; I78-A606 WeakPolarHBondContact CG1-O 3.37Å; Q79-A606 PolarHBondContact N-O 3.4Å; Q79-A606 PolarHBondContact O-N 3.32Å; F186-A606 HydrophobicContact CE1-CB 3.95Å; F186-A606 HydrophobicContact CZ-CB 3.94Å; D584-A606 WeakPolarHBondContact OD1-CA 3.24Å; A606-W756 HydrophobicContact CB-CH2 3.91Å; A606-W756 WeakPolarHBondContact O-CH2 3.22Å |
| 607 | S | 89.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 152.7 | -179.1 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | Y514 N580 I582 D584 L757 | Y514-S607 VanDerWaalsContact OH-CA 3.29Å; Y514-S607 WeakPolarHBondContact OH-CA 3.46Å; Y514-S607 VanDerWaalsContact OH-CB 3.26Å; Y514-S607 WeakPolarHBondContact OH-CB 3.34Å; N580-S607 PolarHBondContact ND2-O 3.49Å; N580-S607 PolarHBondContact ND2-OG 2.73Å; N580-S607 VanDerWaalsContact ND2-OG 3.12Å; I582-S607 PolarHBondContact O-OG 3.47Å; D584-S607 WeakPolarHBondContact OD1-CB 3.26Å; D584-S607 PolarHBondContact OD1-N 2.84Å; D584-S607 PolarHBondContact OD1-OG 2.85Å; S607-L757 WeakPolarHBondContact O-CD1 3.19Å |
| 608 | R | 81.8 | Confident | 83.2 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | trans | -112.9 | 133.7 | 174.2 | -68.5 | -150.5 | -67.4 | -165.3 | 6.5 | 112.4 | D74 K76 L77 W756 L757 | D74-R608 PolarHBondContact O-NH2 3.29Å; D74-R608 IonicContact OD1-NH2 3.73Å; D74-R608 IonicContact OD2-CZ 2.65Å; D74-R608 VanDerWaalsContact OD2-CZ 3.26Å; D74-R608 IonicContact OD2-NH1 2.78Å; D74-R608 PolarHBondContact OD2-NH1 2.84Å; D74-R608 IonicContact OD2-NH2 3.74Å; D74-R608 PolarHBondContact OD2-NH2 3.11Å; K76-R608 PolarHBondContact O-NE 3.32Å; K76-R608 PolarHBondContact O-NH2 3.4Å; L77-R608 WeakPolarHBondContact O-CB 3.49Å; L77-R608 PolarHBondContact O-N 3.28Å; R608-W756 WeakPolarHBondContact CD-O 3.46Å; R608-W756 HydrophobicContact CG-CE3 4.05Å; R608-W756 HydrophobicContact CG-CZ3 3.8Å; R608-W756 PolarHBondContact NH1-O 2.67Å; R608-W756 VanDerWaalsContact NH1-O 3.09Å; R608-L757 HydrophobicContact CG-CD1 4.01Å | ||
| 609 | Y | 76.1 | Confident | 85.3 | Confident | 52 Ų | 52 | 30.6 Ų | 30.6 | 20% | 0.204 | 15% | 0.147 | C | C | . | . | trans | -64 | 134.8 | 176 | -152.7 | -83.9 | 0 | 0 | 0 | 112.8 | N580 I582 W611 D644 F761 | N580-Y609 WeakPolarHBondContact O-CE2 3.4Å; I582-Y609 HydrophobicContact CD1-CD2 4.39Å; Y609-W611 AromaticContact CD1-CD1 3.68Å; Y609-W611 HydrophobicContact CD1-CD2 4.41Å; Y609-W611 AromaticContact CD1-CE2 3.68Å; Y609-W611 HydrophobicContact CD1-CG 4.41Å; Y609-W611 HydrophobicContact CD1-CZ2 4.13Å; Y609-W611 AromaticContact CD1-NE1 3.18Å; Y609-W611 HydrophobicContact CE1-CD2 4.21Å; Y609-W611 AromaticContact CE1-CE2 3.51Å; Y609-W611 HydrophobicContact CE1-CH2 4.34Å; Y609-W611 AromaticContact CE1-CZ2 3.59Å; Y609-W611 HydrophobicContact CE1-CZ2 3.59Å; Y609-W611 AromaticContact CE1-NE1 3.56Å; Y609-D644 HydrophobicContact CE1-CB 4.31Å; Y609-D644 PolarHBondContact OH-OD1 3.36Å; Y609-D644 PolarHBondContact OH-OD2 3.03Å; Y609-F761 PolarHBondContact O-N 3.07Å | ||
| 610 | K | 79.7 | Confident | 87 | Confident | 43 Ų | 43 | 26.2 Ų | 26.2 | 19% | 0.187 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.6 | -177.4 | 172.1 | 170.7 | 175.1 | -169.8 | 0 | 111.4 | D515 P645 F761 | D515-K610 WeakPolarHBondContact O-CD 3.46Å; D515-K610 WeakPolarHBondContact O-CE 3.43Å; D515-K610 PolarHBondContact O-NZ 2.98Å; K610-P645 VanDerWaalsContact O-CD 3.23Å; K610-P645 WeakPolarHBondContact O-CD 3.42Å; K610-F761 CarbonylContact C-O 3.59Å; K610-F761 VanDerWaalsContact CA-O 3.3Å; K610-F761 WeakPolarHBondContact CA-O 3.39Å; K610-F761 HydrophobicContact CB-CD1 4.33Å; K610-F761 HydrophobicContact CD-CD1 4.2Å; K610-F761 HydrophobicContact CD-CE1 4.41Å; K610-F761 HydrophobicContact CG-CD1 3.97Å |
| 611 | W | 80.1 | Confident | 87.5 | Confident | 18 Ų | 18 | 27.3 Ų | 27.3 | 7% | 0.068 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.3 | 175.7 | -69.7 | 86.6 | 0 | 0 | 0 | 110.9 | Y609 F642 D644 D656 L659 F761 I762 D763 | Y609-W611 AromaticContact CD1-CD1 3.68Å; Y609-W611 HydrophobicContact CD1-CD2 4.41Å; Y609-W611 AromaticContact CD1-CE2 3.68Å; Y609-W611 HydrophobicContact CD1-CG 4.41Å; Y609-W611 HydrophobicContact CD1-CZ2 4.13Å; Y609-W611 AromaticContact CD1-NE1 3.18Å; Y609-W611 HydrophobicContact CE1-CD2 4.21Å; Y609-W611 AromaticContact CE1-CE2 3.51Å; Y609-W611 HydrophobicContact CE1-CH2 4.34Å; Y609-W611 AromaticContact CE1-CZ2 3.59Å; Y609-W611 HydrophobicContact CE1-CZ2 3.59Å; Y609-W611 AromaticContact CE1-NE1 3.56Å; W611-F642 HydrophobicContact CE3-CB 3.92Å; W611-F642 HydrophobicContact CZ3-CB 4.4Å; W611-D644 HydrophobicContact CE3-CB 4.35Å; W611-D644 HydrophobicContact CH2-CB 4.19Å; W611-D644 HydrophobicContact CZ3-CB 3.92Å; W611-D656 HydrophobicContact CH2-CB 4.32Å; W611-L659 HydrophobicContact CD2-CD1 4.41Å; W611-L659 HydrophobicContact CD2-CD2 4.02Å; W611-L659 HydrophobicContact CE3-CD2 4.43Å; W611-L659 HydrophobicContact CG-CD1 4.26Å; W611-L659 HydrophobicContact CG-CD2 4.15Å; W611-F761 PolarHBondContact N-O 3.48Å; W611-I762 HydrophobicContact CB-CG1 4.36Å; W611-I762 WeakPolarHBondContact O-CA 3.41Å; W611-D763 PolarHBondContact O-N 2.84Å |
| 612 | I | 86.2 | Confident | 87.7 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.2 | 170.2 | -59.1 | 170.4 | 0 | 0 | 0 | 108.4 | K643 D763 K766 | I612-K643 PolarHBondContact N-O 3.26Å; I612-K643 PolarHBondContact O-N 3.08Å; I612-D763 HydrophobicContact CG1-CB 4.39Å; I612-K766 HydrophobicContact CG2-CD 4.43Å |
| 613 | A | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I640 F642 I762 D763 W764 | A613-I640 HydrophobicContact CB-CG2 4.12Å; A613-F642 HydrophobicContact CB-CD1 4.29Å; A613-F642 HydrophobicContact CB-CE1 3.88Å; A613-I762 HydrophobicContact CB-CG2 3.87Å; A613-D763 PolarHBondContact N-O 2.82Å; A613-W764 HydrophobicContact CB-CD2 4.49Å; A613-W764 HydrophobicContact CB-CE3 3.78Å; A613-W764 HydrophobicContact CB-CH2 4.42Å; A613-W764 HydrophobicContact CB-CZ3 3.71Å |
| 614 | D | 91.4 | Very high | 86.7 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 102.5 | 175.8 | -133.5 | -21.7 | 0 | 0 | 0 | 109 | I640 Y641 K643 K766 | D614-I640 WeakPolarHBondContact O-CA 2.97Å; D614-Y641 PolarHBondContact N-O 2.87Å; D614-Y641 PolarHBondContact O-N 2.76Å; D614-K643 HydrophobicContact CB-CD 4.39Å; D614-K643 WeakPolarHBondContact OD2-CE 3.14Å; D614-K643 IonicContact OD2-NZ 3.1Å; D614-K643 PolarHBondContact OD2-NZ 2.84Å; D614-K766 WeakPolarHBondContact OD1-CD 3.31Å; D614-K766 IonicContact OD1-NZ 2.71Å; D614-K766 PolarHBondContact OD1-NZ 3.18Å; D614-K766 IonicContact OD2-NZ 2.73Å; D614-K766 PolarHBondContact OD2-NZ 3.04Å |
| 615 | C | 95.6 | Very high | 85.1 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.3 | -173.9 | -77.4 | 0 | 0 | 0 | 0 | 112.4 | Y617 I638 C767 | C615-Y617 HydrophobicContact CB-CD2 4.3Å; C615-Y617 HydrophobicContact CB-CE2 3.95Å; C615-I638 HydrophobicContact CB-CG2 3.87Å; C615-C767 HydrophobicContact CB-CB 3.78Å; C615-C767 WeakPolarHBondContact CB-SG 3.35Å; C615-C767 WeakPolarHBondContact SG-CB 3.47Å; C615-C767 CovalentContact SG-SG 2.04Å; C615-C767 PolarHBondContact SG-SG 2.97Å |
| 616 | H | 95.3 | Very high | 83.9 | Confident | 99 Ų | 99 | 37.8 Ų | 37.8 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.5 | 172.3 | -63.9 | -91.4 | 0 | 0 | 0 | 110.1 | I638 I639 Y641 | H616-I638 WeakPolarHBondContact O-CA 3.35Å; H616-I639 PolarHBondContact N-O 2.9Å; H616-I639 PolarHBondContact O-N 2.9Å; H616-Y641 AromaticContact CD2-CD2 3.66Å; H616-Y641 AromaticContact CD2-CE2 3.59Å; H616-Y641 AromaticContact NE2-CD2 3.96Å |
| 617 | Y | 95 | Very high | 83 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.1 | 179.7 | -77.5 | -105.1 | 0 | 0 | 0 | 111.4 | C615 F619 I636 I638 I730 Y732 C767 A769 | C615-Y617 HydrophobicContact CB-CD2 4.3Å; C615-Y617 HydrophobicContact CB-CE2 3.95Å; Y617-F619 HydrophobicContact CD1-CZ 4.05Å; Y617-F619 HydrophobicContact CG-CE2 4.39Å; Y617-F619 HydrophobicContact CG-CZ 4.32Å; Y617-I636 HydrophobicContact CD1-CG2 4.09Å; Y617-I638 HydrophobicContact CD1-CD1 4.01Å; Y617-I638 HydrophobicContact CD1-CG1 3.72Å; Y617-I638 HydrophobicContact CD2-CG2 4.27Å; Y617-I638 HydrophobicContact CE1-CD1 3.36Å; Y617-I638 HydrophobicContact CE1-CG1 3.63Å; Y617-I638 HydrophobicContact CE2-CD1 4.37Å; Y617-I638 HydrophobicContact CE2-CG2 4.27Å; Y617-I638 HydrophobicContact CG-CG1 4.25Å; Y617-I730 HydrophobicContact CD1-CG2 3.96Å; Y617-I730 HydrophobicContact CE1-CG1 4.39Å; Y617-I730 HydrophobicContact CE1-CG2 3.56Å; Y617-I730 PolarHBondContact OH-O 3.15Å; Y617-Y732 WeakPolarHBondContact OH-CB 3.41Å; Y617-Y732 PolarHBondContact OH-N 2.95Å; Y617-C767 PolarHBondContact OH-O 3.49Å; Y617-A769 HydrophobicContact CD1-CB 3.96Å; Y617-A769 HydrophobicContact CD2-CB 3.32Å; Y617-A769 HydrophobicContact CE1-CB 4.24Å; Y617-A769 HydrophobicContact CE2-CB 3.62Å; Y617-A769 HydrophobicContact CG-CB 3.48Å; Y617-A769 VanDerWaalsContact CG-CB 3.48Å |
| 618 | I | 95.5 | Very high | 82.6 | Confident | 82 Ų | 82 | 39.3 Ų | 39.3 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 115.1 | 174.9 | -59.9 | 171.4 | 0 | 0 | 0 | 107.8 | Q637 I639 | I618-Q637 HydrophobicContact CB-CB 4.28Å; I618-Q637 HydrophobicContact CD1-CG 4.43Å; I618-Q637 PolarHBondContact N-O 2.93Å; I618-Q637 PolarHBondContact O-N 2.95Å; I618-I639 HydrophobicContact CD1-CD1 3.78Å; I618-I639 HydrophobicContact CD1-CG1 4.22Å |
| 619 | F | 92.2 | Very high | 82.7 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | trans | -106.7 | 149.2 | 179.1 | -65.7 | -79.4 | 0 | 0 | 0 | 110.7 | Y617 L623 I636 I730 A769 I771 P772 | Y617-F619 HydrophobicContact CD1-CZ 4.05Å; Y617-F619 HydrophobicContact CG-CE2 4.39Å; Y617-F619 HydrophobicContact CG-CZ 4.32Å; F619-L623 HydrophobicContact CB-CD1 4.25Å; F619-L623 HydrophobicContact CD1-CD1 4.31Å; F619-I636 HydrophobicContact CD1-CD1 4.01Å; F619-I636 HydrophobicContact CD1-CG1 4.08Å; F619-I636 HydrophobicContact CE1-CD1 3.79Å; F619-I636 HydrophobicContact CE1-CG1 4.3Å; F619-I636 HydrophobicContact CE1-CG2 4.49Å; F619-I730 HydrophobicContact CE1-CG2 4.18Å; F619-I730 HydrophobicContact CZ-CG2 3.98Å; F619-A769 HydrophobicContact CE2-CB 4.31Å; F619-A769 HydrophobicContact CZ-CB 4.18Å; F619-I771 HydrophobicContact CE1-CB 4.48Å; F619-I771 HydrophobicContact CE1-CG1 4.18Å; F619-I771 HydrophobicContact CE1-CG2 4.39Å; F619-P772 HydrophobicContact CB-CG 3.92Å; F619-P772 HydrophobicContact CD2-CG 4.18Å; F619-P772 HydrophobicContact CG-CG 4Å | ||
| 620 | P | 90.6 | Very high | 83.3 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | trans | -65.3 | 131.1 | 176.3 | -20.8 | 34 | 0 | 0 | 0 | 111.4 | W622 L623 I634 P635 | P620-W622 HydrophobicContact CB-CD2 4.25Å; P620-W622 HydrophobicContact CB-CG 4.23Å; P620-W622 HydrophobicContact CB-CZ2 4.25Å; P620-W622 HydrophobicContact CG-CZ2 4.37Å; P620-W622 PolarHBondContact O-N 2.98Å; P620-L623 PolarHBondContact O-N 2.69Å; P620-I634 HydrophobicContact CG-CG2 3.96Å; P620-P635 WeakPolarHBondContact CD-O 3.4Å; P620-P635 HydrophobicContact CG-CG 3.93Å; P620-P635 WeakPolarHBondContact CG-O 3.41Å | ||
| 621 | P | 78 | Confident | 83.8 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -55.5 | -28.7 | -176.1 | -29.7 | 35.5 | 0 | 0 | 0 | 114.6 | L623 A624 I625 | P621-L623 VanDerWaalsContact C-N 3.26Å; P621-L623 PolarHBondContact O-N 3.15Å; P621-A624 PolarHBondContact O-N 2.58Å; P621-I625 WeakPolarHBondContact O-CD1 3.49Å; P621-I625 WeakPolarHBondContact O-CG1 3.04Å |
| 622 | W | 76.7 | Confident | 84.2 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -66.3 | -19.1 | -177 | 57.1 | -103 | 0 | 0 | 0 | 114.9 | P620 A624 I625 R626 L628 L633 I634 | P620-W622 HydrophobicContact CB-CD2 4.25Å; P620-W622 HydrophobicContact CB-CG 4.23Å; P620-W622 HydrophobicContact CB-CZ2 4.25Å; P620-W622 HydrophobicContact CG-CZ2 4.37Å; P620-W622 PolarHBondContact O-N 2.98Å; W622-A624 PolarHBondContact O-N 3.48Å; W622-I625 PolarHBondContact O-N 2.81Å; W622-I625 VanDerWaalsContact O-N 3.16Å; W622-R626 HydrophobicContact CE3-CG 4.37Å; W622-R626 VanDerWaalsContact CE3-CZ 3.4Å; W622-R626 PolarHBondContact O-N 2.8Å; W622-R626 VanDerWaalsContact O-N 3.16Å; W622-L628 HydrophobicContact CZ3-CD1 4.15Å; W622-L633 WeakPolarHBondContact CH2-O 3.03Å; W622-L633 VanDerWaalsContact CZ2-O 3.3Å; W622-L633 WeakPolarHBondContact CZ2-O 3.31Å; W622-I634 HydrophobicContact CH2-CB 4.49Å; W622-I634 HydrophobicContact CH2-CG1 3.82Å |
| 623 | L | 81.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -60.9 | -33.9 | 176.9 | -72.2 | 174.3 | 0 | 0 | 0 | 113.1 | F619 P620 P621 I625 L628 I634 I771 P772 L773 S774 | F619-L623 HydrophobicContact CB-CD1 4.25Å; F619-L623 HydrophobicContact CD1-CD1 4.31Å; P620-L623 PolarHBondContact O-N 2.69Å; P621-L623 VanDerWaalsContact C-N 3.26Å; P621-L623 PolarHBondContact O-N 3.15Å; L623-I625 VanDerWaalsContact C-N 3.31Å; L623-L628 HydrophobicContact CD2-CD1 4.08Å; L623-I634 HydrophobicContact CD1-CD1 4.47Å; L623-I634 HydrophobicContact CD1-CG2 3.78Å; L623-I634 HydrophobicContact CD2-CD1 3.61Å; L623-I634 HydrophobicContact CD2-CG1 3.95Å; L623-I634 HydrophobicContact CD2-CG2 4.31Å; L623-I634 HydrophobicContact CG-CG2 4.37Å; L623-I771 HydrophobicContact CD1-CG2 4.12Å; L623-P772 CarbonylContact C-O 3.57Å; L623-P772 HydrophobicContact CB-CG 4.44Å; L623-P772 VanDerWaalsContact CB-O 3.26Å; L623-P772 WeakPolarHBondContact CB-O 3.29Å; L623-P772 HydrophobicContact CD1-CG 4.35Å; L623-L773 HydrophobicContact CD2-CD2 4.18Å; L623-S774 PolarHBondContact O-N 3.36Å; L623-S774 PolarHBondContact O-OG 2.85Å |
| 624 | A | 70.6 | Confident | 84.6 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -81.9 | -7.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P621 W622 P772 S774 | P621-A624 PolarHBondContact O-N 2.58Å; W622-A624 PolarHBondContact O-N 3.48Å; A624-P772 PolarHBondContact N-O 3.2Å; A624-S774 WeakPolarHBondContact O-CB 3.47Å |
| 625 | I | 57.7 | Low | 84.8 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -16.3 | -165.2 | -45 | 170.9 | 0 | 0 | 0 | 112.6 | P621 W622 L623 Y776 G858 P907 | P621-I625 WeakPolarHBondContact O-CD1 3.49Å; P621-I625 WeakPolarHBondContact O-CG1 3.04Å; W622-I625 PolarHBondContact O-N 2.81Å; W622-I625 VanDerWaalsContact O-N 3.16Å; L623-I625 VanDerWaalsContact C-N 3.31Å; I625-Y776 VanDerWaalsContact C-OH 3.29Å; I625-Y776 PolarHBondContact O-OH 3.44Å; I625-Y776 VanDerWaalsContact O-OH 3.04Å; I625-G858 WeakPolarHBondContact O-CA 3.47Å; I625-P907 HydrophobicContact CD1-CB 4.3Å |
| 626 | R | 67.9 | Low | 84.8 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -131.5 | 147.8 | 174.1 | 82 | -177.8 | -161.1 | -137.8 | 5.5 | 111.9 | W622 L628 D632 S774 | W622-R626 HydrophobicContact CE3-CG 4.37Å; W622-R626 VanDerWaalsContact CE3-CZ 3.4Å; W622-R626 PolarHBondContact O-N 2.8Å; W622-R626 VanDerWaalsContact O-N 3.16Å; R626-L628 PolarHBondContact O-N 3.15Å; R626-D632 IonicContact CZ-OD2 3.49Å; R626-D632 IonicContact NE-OD2 3.01Å; R626-D632 IonicContact NH2-OD1 3.18Å; R626-D632 PolarHBondContact NH2-OD1 2.83Å; R626-D632 IonicContact NH2-OD2 2.66Å; R626-D632 PolarHBondContact NH2-OD2 2.85Å; R626-S774 PolarHBondContact N-OG 2.74Å; R626-S774 PolarHBondContact O-OG 2.77Å |
| 627 | N | 71.6 | Confident | 84.8 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.16 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -56.4 | 122.3 | 165.1 | -80.6 | 9.4 | 0 | 0 | 0 | 108.9 | L629 I715 E716 S774 R775 Y776 | N627-L629 PolarHBondContact O-N 3.22Å; N627-I715 HydrophobicContact CB-CG2 3.69Å; N627-E716 PolarHBondContact ND2-OE1 3.2Å; N627-S774 PolarHBondContact OD1-O 3.14Å; N627-R775 WeakPolarHBondContact OD1-CA 3.46Å; N627-Y776 WeakPolarHBondContact OD1-CB 3.39Å; N627-Y776 WeakPolarHBondContact OD1-CD2 3.47Å; N627-Y776 PolarHBondContact OD1-N 3.2Å |
| 628 | L | 81.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 125.7 | 175.2 | 175.7 | 78.7 | 0 | 0 | 0 | 109.7 | W622 L623 R626 D632 I634 F686 A711 I715 M718 L773 | W622-L628 HydrophobicContact CZ3-CD1 4.15Å; L623-L628 HydrophobicContact CD2-CD1 4.08Å; R626-L628 PolarHBondContact O-N 3.15Å; L628-D632 HydrophobicContact CD1-CB 3.52Å; L628-D632 HydrophobicContact CG-CB 4.47Å; L628-I634 HydrophobicContact CD1-CD1 4.01Å; L628-I634 HydrophobicContact CD1-CG1 4.34Å; L628-F686 HydrophobicContact CD2-CE1 3.49Å; L628-F686 VanDerWaalsContact CD2-CE1 3.49Å; L628-F686 HydrophobicContact CD2-CZ 3.41Å; L628-F686 VanDerWaalsContact CD2-CZ 3.41Å; L628-A711 HydrophobicContact CD1-CB 4.16Å; L628-A711 HydrophobicContact CD2-CB 3.77Å; L628-A711 HydrophobicContact CG-CB 3.92Å; L628-I715 HydrophobicContact CB-CB 4.19Å; L628-I715 PolarHBondContact O-N 3.24Å; L628-M718 HydrophobicContact CD2-CE 4.02Å; L628-L773 HydrophobicContact CB-CD2 4.49Å; L628-L773 HydrophobicContact CD2-CD2 3.8Å |
| 629 | L | 84.4 | Confident | 84.8 | Confident | 94 Ų | 94 | 47.4 Ų | 47.4 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -96.9 | 155.6 | 178.6 | -64.1 | 179.7 | 0 | 0 | 0 | 111.5 | N627 N631 D632 A711 | N627-L629 PolarHBondContact O-N 3.22Å; L629-N631 PolarHBondContact O-N 3.44Å; L629-D632 PolarHBondContact N-OD2 2.97Å; L629-D632 VanDerWaalsContact N-OD2 3.17Å; L629-D632 VanDerWaalsContact O-CB 3.28Å; L629-D632 WeakPolarHBondContact O-CB 3.28Å; L629-D632 PolarHBondContact O-N 3.41Å; L629-D632 VanDerWaalsContact O-N 3.14Å; L629-A711 WeakPolarHBondContact O-CB 3.29Å |
| 630 | K | 87.6 | Confident | 84.8 | Confident | 112 Ų | 112 | 45.5 Ų | 45.5 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.6 | 170.3 | 175.2 | 167.8 | -177.2 | 161.9 | 0 | 110.7 | D632 K712 N714 | K630-D632 VanDerWaalsContact C-N 3.29Å; K630-K712 WeakPolarHBondContact CD-O 3.15Å; K630-K712 WeakPolarHBondContact CE-O 3.31Å; K630-K712 WeakPolarHBondContact CG-O 3.45Å; K630-K712 PolarHBondContact NZ-O 2.81Å; K630-N714 WeakPolarHBondContact CB-OD1 3.44Å; K630-N714 PolarHBondContact N-OD1 3.34Å |
| 631 | N | 89.8 | Confident | 84.7 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 0.5 | -175.3 | -51.4 | -26.9 | 0 | 0 | 0 | 116 | L629 L633 Q710 A711 | L629-N631 PolarHBondContact O-N 3.44Å; N631-L633 PolarHBondContact O-N 3.25Å; N631-Q710 PolarHBondContact O-NE2 2.72Å; N631-A711 WeakPolarHBondContact CA-O 3.08Å; N631-A711 PolarHBondContact N-O 3.23Å |
| 632 | D | 89.6 | Confident | 84.9 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | trans | -57.4 | 131.8 | 171.9 | -88 | -8.3 | 0 | 0 | 0 | 111 | R626 L628 L629 K630 Q710 A711 | R626-D632 IonicContact CZ-OD2 3.49Å; R626-D632 IonicContact NE-OD2 3.01Å; R626-D632 IonicContact NH2-OD1 3.18Å; R626-D632 PolarHBondContact NH2-OD1 2.83Å; R626-D632 IonicContact NH2-OD2 2.66Å; R626-D632 PolarHBondContact NH2-OD2 2.85Å; L628-D632 HydrophobicContact CD1-CB 3.52Å; L628-D632 HydrophobicContact CG-CB 4.47Å; L629-D632 PolarHBondContact N-OD2 2.97Å; L629-D632 VanDerWaalsContact N-OD2 3.17Å; L629-D632 VanDerWaalsContact O-CB 3.28Å; L629-D632 WeakPolarHBondContact O-CB 3.28Å; L629-D632 PolarHBondContact O-N 3.41Å; L629-D632 VanDerWaalsContact O-N 3.14Å; K630-D632 VanDerWaalsContact C-N 3.29Å; D632-Q710 WeakPolarHBondContact O-CA 3.21Å; D632-A711 PolarHBondContact O-N 3.1Å | ||
| 633 | L | 92.7 | Very high | 84.9 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 47% | 0.466 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.8 | 175.9 | -74.3 | 167.2 | 0 | 0 | 0 | 110.6 | W622 N631 M689 Q710 | W622-L633 WeakPolarHBondContact CH2-O 3.03Å; W622-L633 VanDerWaalsContact CZ2-O 3.3Å; W622-L633 WeakPolarHBondContact CZ2-O 3.31Å; N631-L633 PolarHBondContact O-N 3.25Å; L633-M689 HydrophobicContact CD2-CB 4.18Å; L633-M689 HydrophobicContact CD2-CG 3.87Å; L633-Q710 HydrophobicContact CD2-CB 3.95Å; L633-Q710 HydrophobicContact CD2-CG 4.25Å |
| 634 | I | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 106.1 | -177.5 | -50.4 | 173.1 | 0 | 0 | 0 | 108.1 | P620 W622 L623 L628 I636 F686 N708 I709 | P620-I634 HydrophobicContact CG-CG2 3.96Å; W622-I634 HydrophobicContact CH2-CB 4.49Å; W622-I634 HydrophobicContact CH2-CG1 3.82Å; L623-I634 HydrophobicContact CD1-CD1 4.47Å; L623-I634 HydrophobicContact CD1-CG2 3.78Å; L623-I634 HydrophobicContact CD2-CD1 3.61Å; L623-I634 HydrophobicContact CD2-CG1 3.95Å; L623-I634 HydrophobicContact CD2-CG2 4.31Å; L623-I634 HydrophobicContact CG-CG2 4.37Å; L628-I634 HydrophobicContact CD1-CD1 4.01Å; L628-I634 HydrophobicContact CD1-CG1 4.34Å; I634-I636 HydrophobicContact CG2-CD1 4.26Å; I634-I636 HydrophobicContact CG2-CG1 3.92Å; I634-F686 HydrophobicContact CD1-CD1 4.09Å; I634-F686 HydrophobicContact CD1-CE1 3.54Å; I634-N708 WeakPolarHBondContact O-CA 3.26Å; I634-I709 HydrophobicContact CB-CG1 3.79Å; I634-I709 HydrophobicContact CD1-CD1 4.16Å; I634-I709 HydrophobicContact CD1-CG1 4.13Å; I634-I709 HydrophobicContact CG1-CG1 4.37Å; I634-I709 HydrophobicContact CG2-CG1 4.4Å; I634-I709 PolarHBondContact N-O 3.45Å; I634-I709 PolarHBondContact O-N 3.28Å |
| 635 | P | 95.1 | Very high | 83.9 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 44% | 0.442 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.4 | 166.1 | 28.2 | -31.2 | 0 | 0 | 0 | 110 | P620 N708 | P620-P635 WeakPolarHBondContact CD-O 3.4Å; P620-P635 HydrophobicContact CG-CG 3.93Å; P620-P635 WeakPolarHBondContact CG-O 3.41Å; P635-N708 VanDerWaalsContact CA-OD1 3.22Å; P635-N708 WeakPolarHBondContact CA-OD1 3.29Å; P635-N708 WeakPolarHBondContact CB-OD1 3.26Å |
| 636 | I | 94.8 | Very high | 83.9 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.7 | 176.9 | -62.8 | 175.8 | 0 | 0 | 0 | 107.9 | Y617 F619 I634 I638 F707 I709 I730 | Y617-I636 HydrophobicContact CD1-CG2 4.09Å; F619-I636 HydrophobicContact CD1-CD1 4.01Å; F619-I636 HydrophobicContact CD1-CG1 4.08Å; F619-I636 HydrophobicContact CE1-CD1 3.79Å; F619-I636 HydrophobicContact CE1-CG1 4.3Å; F619-I636 HydrophobicContact CE1-CG2 4.49Å; I634-I636 HydrophobicContact CG2-CD1 4.26Å; I634-I636 HydrophobicContact CG2-CG1 3.92Å; I636-I638 HydrophobicContact CG2-CG1 4.46Å; I636-F707 HydrophobicContact CB-CD2 4.28Å; I636-F707 HydrophobicContact CB-CE1 4.23Å; I636-F707 HydrophobicContact CB-CE2 3.7Å; I636-F707 HydrophobicContact CB-CZ 3.69Å; I636-F707 HydrophobicContact CD1-CE2 3.94Å; I636-F707 HydrophobicContact CD1-CZ 4.32Å; I636-F707 HydrophobicContact CG1-CE2 4.28Å; I636-F707 HydrophobicContact CG2-CE1 3.99Å; I636-F707 HydrophobicContact CG2-CE2 4.05Å; I636-F707 HydrophobicContact CG2-CZ 3.52Å; I636-F707 PolarHBondContact N-O 2.96Å; I636-F707 PolarHBondContact O-N 2.92Å; I636-I709 HydrophobicContact CD1-CD1 3.62Å; I636-I709 HydrophobicContact CD1-CG1 3.88Å; I636-I730 HydrophobicContact CD1-CD1 3.91Å |
| 637 | Q | 95.5 | Very high | 83.1 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 29% | 0.29 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.8 | 170.2 | 175.9 | 169.1 | 91.4 | 0 | 0 | 109.4 | I618 I639 I704 I705 D706 | I618-Q637 HydrophobicContact CB-CB 4.28Å; I618-Q637 HydrophobicContact CD1-CG 4.43Å; I618-Q637 PolarHBondContact N-O 2.93Å; I618-Q637 PolarHBondContact O-N 2.95Å; Q637-I639 HydrophobicContact CG-CG1 4.5Å; Q637-I704 HydrophobicContact CG-CG2 3.83Å; Q637-I705 CarbonylContact C-O 3.5Å; Q637-I705 WeakPolarHBondContact CA-O 3.08Å; Q637-D706 WeakPolarHBondContact CB-OD1 3.35Å; Q637-D706 VanDerWaalsContact CG-OD1 3.26Å; Q637-D706 WeakPolarHBondContact CG-OD1 3.36Å; Q637-D706 PolarHBondContact NE2-OD1 3.02Å |
| 638 | I | 96 | Very high | 81.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.3 | 171.7 | -46.2 | 174.1 | 0 | 0 | 0 | 108.1 | C615 H616 Y617 I636 I640 I704 I705 F707 Y732 | C615-I638 HydrophobicContact CB-CG2 3.87Å; H616-I638 WeakPolarHBondContact O-CA 3.35Å; Y617-I638 HydrophobicContact CD1-CD1 4.01Å; Y617-I638 HydrophobicContact CD1-CG1 3.72Å; Y617-I638 HydrophobicContact CD2-CG2 4.27Å; Y617-I638 HydrophobicContact CE1-CD1 3.36Å; Y617-I638 HydrophobicContact CE1-CG1 3.63Å; Y617-I638 HydrophobicContact CE2-CD1 4.37Å; Y617-I638 HydrophobicContact CE2-CG2 4.27Å; Y617-I638 HydrophobicContact CG-CG1 4.25Å; I636-I638 HydrophobicContact CG2-CG1 4.46Å; I638-I640 HydrophobicContact CB-CG1 4.43Å; I638-I640 HydrophobicContact CG2-CD1 4.2Å; I638-I640 HydrophobicContact CG2-CG1 3.7Å; I638-I704 CarbonylContact O-C 3.57Å; I638-I704 WeakPolarHBondContact O-CA 3.49Å; I638-I705 HydrophobicContact CB-CB 4.3Å; I638-I705 PolarHBondContact N-O 3.15Å; I638-I705 PolarHBondContact O-N 2.78Å; I638-F707 HydrophobicContact CD1-CE1 3.69Å; I638-F707 HydrophobicContact CD1-CZ 4.18Å; I638-F707 HydrophobicContact CG1-CE1 3.91Å; I638-F707 HydrophobicContact CG1-CZ 4.48Å; I638-Y732 HydrophobicContact CD1-CD1 4.45Å; I638-Y732 HydrophobicContact CD1-CD2 4.05Å; I638-Y732 HydrophobicContact CD1-CG 3.73Å |
| 639 | I | 94.3 | Very high | 79.8 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.3 | 170 | -55.2 | 179.2 | 0 | 0 | 0 | 107.8 | H616 I618 Q637 Y641 Q702 | H616-I639 PolarHBondContact N-O 2.9Å; H616-I639 PolarHBondContact O-N 2.9Å; I618-I639 HydrophobicContact CD1-CD1 3.78Å; I618-I639 HydrophobicContact CD1-CG1 4.22Å; Q637-I639 HydrophobicContact CG-CG1 4.5Å; I639-Y641 HydrophobicContact CG2-CE1 4.44Å; I639-Y641 HydrophobicContact CG2-CE2 3.89Å; I639-Q702 HydrophobicContact CG2-CB 4.05Å; I639-Q702 HydrophobicContact CG2-CG 4.37Å; I639-Q702 VanDerWaalsContact CG2-OE1 3.28Å |
| 640 | I | 92.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.8 | -170.7 | -47.1 | 178.6 | 0 | 0 | 0 | 110.2 | A613 D614 I638 F642 Q702 L703 I705 Y732 | A613-I640 HydrophobicContact CB-CG2 4.12Å; D614-I640 WeakPolarHBondContact O-CA 2.97Å; I638-I640 HydrophobicContact CB-CG1 4.43Å; I638-I640 HydrophobicContact CG2-CD1 4.2Å; I638-I640 HydrophobicContact CG2-CG1 3.7Å; I640-F642 HydrophobicContact CB-CE2 4.31Å; I640-F642 HydrophobicContact CG2-CD2 4.43Å; I640-F642 HydrophobicContact CG2-CE1 4.37Å; I640-F642 HydrophobicContact CG2-CE2 3.7Å; I640-F642 HydrophobicContact CG2-CZ 3.66Å; I640-Q702 WeakPolarHBondContact O-CA 3.38Å; I640-L703 HydrophobicContact CB-CB 4.31Å; I640-L703 WeakPolarHBondContact CB-O 3.37Å; I640-L703 HydrophobicContact CD1-CD2 4.43Å; I640-L703 PolarHBondContact N-O 3.34Å; I640-L703 PolarHBondContact O-N 2.93Å; I640-I705 HydrophobicContact CD1-CG1 3.83Å; I640-Y732 HydrophobicContact CD1-CD1 3.64Å; I640-Y732 HydrophobicContact CD1-CE1 3.15Å |
| 641 | Y | 88.3 | Confident | 74.7 | Confident | 76 Ų | 76 | 68 Ų | 68 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.1 | 172.6 | -55.6 | -79.5 | 0 | 0 | 0 | 110 | D614 H616 I639 Q702 | D614-Y641 PolarHBondContact N-O 2.87Å; D614-Y641 PolarHBondContact O-N 2.76Å; H616-Y641 AromaticContact CD2-CD2 3.66Å; H616-Y641 AromaticContact CD2-CE2 3.59Å; H616-Y641 AromaticContact NE2-CD2 3.96Å; I639-Y641 HydrophobicContact CG2-CE1 4.44Å; I639-Y641 HydrophobicContact CG2-CE2 3.89Å; Y641-Q702 HydrophobicContact CD1-CB 4.04Å; Y641-Q702 HydrophobicContact CE1-CB 3.67Å; Y641-Q702 PolarHBondContact OH-OE1 3.49Å |
| 642 | F | 82.9 | Confident | 72.1 | Confident | 14 Ų | 14 | 69 Ų | 69 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.1 | 175.7 | -66.1 | -87.7 | 0 | 0 | 0 | 109.7 | W611 A613 I640 L659 L660 L703 F734 I762 W764 | W611-F642 HydrophobicContact CE3-CB 3.92Å; W611-F642 HydrophobicContact CZ3-CB 4.4Å; A613-F642 HydrophobicContact CB-CD1 4.29Å; A613-F642 HydrophobicContact CB-CE1 3.88Å; I640-F642 HydrophobicContact CB-CE2 4.31Å; I640-F642 HydrophobicContact CG2-CD2 4.43Å; I640-F642 HydrophobicContact CG2-CE1 4.37Å; I640-F642 HydrophobicContact CG2-CE2 3.7Å; I640-F642 HydrophobicContact CG2-CZ 3.66Å; F642-L659 HydrophobicContact CB-CD2 3.86Å; F642-L659 HydrophobicContact CD1-CD2 3.63Å; F642-L659 HydrophobicContact CD2-CD2 4.32Å; F642-L659 HydrophobicContact CE1-CD2 4.32Å; F642-L659 HydrophobicContact CG-CD2 3.63Å; F642-L660 HydrophobicContact CD2-CD1 3.64Å; F642-L660 HydrophobicContact CE2-CD1 3.58Å; F642-L660 HydrophobicContact CZ-CD1 4.48Å; F642-L703 HydrophobicContact CE2-CB 4.2Å; F642-L703 HydrophobicContact CE2-CD2 4.24Å; F642-L703 HydrophobicContact CZ-CD2 4.37Å; F642-F734 HydrophobicContact CE1-CE1 4.32Å; F642-F734 AromaticContact CZ-CE1 3.86Å; F642-F734 HydrophobicContact CZ-CE1 3.86Å; F642-I762 HydrophobicContact CE1-CD1 4.18Å; F642-I762 HydrophobicContact CE1-CG2 4.19Å; F642-W764 HydrophobicContact CE1-CH2 4.21Å; F642-W764 HydrophobicContact CZ-CH2 4.27Å |
| 643 | K | 77.3 | Confident | 69.4 | Low | 103 Ų | 103 | 72.5 Ų | 72.5 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.6 | -178.1 | -66.3 | 178.3 | 179 | 173.9 | 0 | 109.9 | I612 D614 | I612-K643 PolarHBondContact N-O 3.26Å; I612-K643 PolarHBondContact O-N 3.08Å; D614-K643 HydrophobicContact CB-CD 4.39Å; D614-K643 WeakPolarHBondContact OD2-CE 3.14Å; D614-K643 IonicContact OD2-NZ 3.1Å; D614-K643 PolarHBondContact OD2-NZ 2.84Å |
| 644 | D | 71.2 | Confident | 66.7 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | trans | -76.3 | 128.6 | 166.4 | 171 | 17.7 | 0 | 0 | 0 | 109.2 | Y609 W611 K646 N647 | Y609-D644 HydrophobicContact CE1-CB 4.31Å; Y609-D644 PolarHBondContact OH-OD1 3.36Å; Y609-D644 PolarHBondContact OH-OD2 3.03Å; W611-D644 HydrophobicContact CE3-CB 4.35Å; W611-D644 HydrophobicContact CH2-CB 4.19Å; W611-D644 HydrophobicContact CZ3-CB 3.92Å; D644-K646 VanDerWaalsContact C-N 3.33Å; D644-K646 PolarHBondContact OD1-N 2.79Å; D644-N647 WeakPolarHBondContact OD2-CA 3.43Å; D644-N647 WeakPolarHBondContact OD2-CB 3.45Å; D644-N647 VanDerWaalsContact OD2-CG 3.26Å; D644-N647 PolarHBondContact OD2-N 3.18Å; D644-N647 PolarHBondContact OD2-ND2 3.35Å | ||
| 645 | P | 59.1 | Low | 64.3 | Low | 28 Ų | 28 | 80.4 Ų | 80.4 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -62.7 | -32.3 | 171.9 | 25 | -34 | 0 | 0 | 0 | 114.4 | K610 | K610-P645 VanDerWaalsContact O-CD 3.23Å; K610-P645 WeakPolarHBondContact O-CD 3.42Å |
| 646 | K | 58 | Low | 61.8 | Low | 83 Ų | 83 | 79.9 Ų | 79.9 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -86.9 | -50.9 | -172.6 | -68.7 | -169.2 | 176.3 | -172.9 | 0 | 113.3 | D513 G581 D644 K648 | D513-K646 WeakPolarHBondContact O-CE 3.47Å; D513-K646 PolarHBondContact O-NZ 2.72Å; G581-K646 PolarHBondContact O-NZ 2.98Å; G581-K646 VanDerWaalsContact O-NZ 3.16Å; D644-K646 VanDerWaalsContact C-N 3.33Å; D644-K646 PolarHBondContact OD1-N 2.79Å; K646-K648 VanDerWaalsContact C-N 3.26Å; K646-K648 PolarHBondContact O-N 3.24Å |
| 647 | N | 50.5 | Low | 59.5 | Low | 82 Ų | 82 | 84 Ų | 84 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | trans | -76.1 | 68.4 | 178.6 | -71.4 | -62.7 | 0 | 0 | 0 | 113.4 | D644 Q649 | D644-N647 WeakPolarHBondContact OD2-CA 3.43Å; D644-N647 WeakPolarHBondContact OD2-CB 3.45Å; D644-N647 VanDerWaalsContact OD2-CG 3.26Å; D644-N647 PolarHBondContact OD2-N 3.18Å; D644-N647 PolarHBondContact OD2-ND2 3.35Å; N647-Q649 PolarHBondContact O-N 2.82Å | ||
| 648 | K | 46.3 | Very low | 57.4 | Low | 185 Ų | 185 | 88.5 Ų | 88.5 | 80% | 0.804 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -73.3 | -8.1 | 164.1 | -73 | 177.7 | -178.5 | 163.1 | 0 | 113.6 | K646 | K646-K648 VanDerWaalsContact C-N 3.26Å; K646-K648 PolarHBondContact O-N 3.24Å |
| 649 | Q | 37 | Very low | 55.5 | Low | 184 Ų | 184 | 89.7 Ų | 89.7 | 86% | 0.86 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -126.6 | -20.8 | -170 | -71.8 | -171 | -12.3 | 0 | 0 | 116.7 | N647 R651 | N647-Q649 PolarHBondContact O-N 2.82Å; Q649-R651 PolarHBondContact O-N 3.35Å |
| 650 | S | 33.3 | Very low | 53.7 | Low | 44 Ų | 44 | 88.6 Ų | 88.6 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | trans | -74.5 | 106 | 173.5 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | S652 D653 | S650-S652 PolarHBondContact O-N 2.69Å; S650-D653 PolarHBondContact OG-OD2 3.08Å | ||
| 651 | R | 33 | Very low | 52.1 | Low | 228 Ų | 228 | 92.1 Ų | 92.1 | 86% | 0.86 | 45% | 0.45 | S | S | * | . | trans | -73.6 | 116.2 | 161.6 | -72.3 | 177.6 | 172.2 | 177.7 | -2.7 | 108 | Q649 D653 | Q649-R651 PolarHBondContact O-N 3.35Å; R651-D653 PolarHBondContact O-N 3.09Å | ||
| 652 | S | 34 | Very low | 50.2 | Low | 116 Ų | 116 | 91.5 Ų | 91.5 | 81% | 0.811 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 71.4 | 20 | 157.7 | 66.5 | 0 | 0 | 0 | 0 | 119.4 | S650 Q654 | S650-S652 PolarHBondContact O-N 2.69Å; S652-Q654 PolarHBondContact O-N 3.09Å |
| 653 | D | 33.6 | Very low | 48.8 | Very low | 106 Ų | 106 | 97.5 Ų | 97.5 | 57% | 0.567 | 49% | 0.488 | S | S | * | . | trans | -67.9 | 132 | 165.2 | -77.2 | -44.3 | 0 | 0 | 0 | 111.2 | S650 R651 T655 | S650-D653 PolarHBondContact OG-OD2 3.08Å; R651-D653 PolarHBondContact O-N 3.09Å; D653-T655 PolarHBondContact O-N 3.05Å | ||
| 654 | Q | 35.9 | Very low | 48.1 | Very low | 171 Ų | 171 | 95.5 Ų | 95.5 | 80% | 0.799 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 6.8 | -166.9 | -63.5 | 176.5 | -44.5 | 0 | 0 | 115 | S652 | S652-Q654 PolarHBondContact O-N 3.09Š|
| 655 | T | 41.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 94.9 Ų | 94.9 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -34 | -178 | 38.6 | 0 | 0 | 0 | 0 | 113.5 | D653 L657 K658 | D653-T655 PolarHBondContact O-N 3.05Å; T655-L657 PolarHBondContact O-N 2.96Å; T655-L657 VanDerWaalsContact O-N 3.16Å; T655-K658 WeakPolarHBondContact O-CB 3.46Å; T655-K658 PolarHBondContact O-N 2.67Å; T655-K658 VanDerWaalsContact O-N 3.13Å |
| 656 | D | 43.2 | Very low | 48.2 | Very low | 57 Ų | 57 | 100.5 Ų | 100.5 | 31% | 0.305 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -61.9 | -26.4 | -177.9 | -68.1 | -3.1 | 0 | 0 | 0 | 112.8 | W611 K658 | W611-D656 HydrophobicContact CH2-CB 4.32Å; D656-K658 PolarHBondContact O-N 3.12Å; D656-K658 VanDerWaalsContact O-N 3.09Å |
| 657 | L | 46.3 | Very low | 49.2 | Very low | 90 Ų | 90 | 100.1 Ų | 100.1 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -67.6 | -5 | 178 | -73.2 | 164.1 | 0 | 0 | 0 | 114.2 | T655 L698 | T655-L657 PolarHBondContact O-N 2.96Å; T655-L657 VanDerWaalsContact O-N 3.16Å; L657-L698 HydrophobicContact CD2-CD2 4.13Å |
| 658 | K | 51.7 | Low | 50.9 | Low | 158 Ų | 158 | 96.9 Ų | 96.9 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -76.6 | -24.3 | 178.3 | -77.2 | -178.3 | 177.3 | 173.4 | 0 | 114.5 | T655 D656 | T655-K658 WeakPolarHBondContact O-CB 3.46Å; T655-K658 PolarHBondContact O-N 2.67Å; T655-K658 VanDerWaalsContact O-N 3.13Å; D656-K658 PolarHBondContact O-N 3.12Å; D656-K658 VanDerWaalsContact O-N 3.09Å |
| 659 | L | 56.7 | Low | 52.9 | Low | 24 Ų | 24 | 90.3 Ų | 90.3 | 13% | 0.126 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -65.3 | -43.6 | -174.5 | -164.2 | 73.5 | 0 | 0 | 0 | 112.2 | W611 F642 Y668 P760 | W611-L659 HydrophobicContact CD2-CD1 4.41Å; W611-L659 HydrophobicContact CD2-CD2 4.02Å; W611-L659 HydrophobicContact CE3-CD2 4.43Å; W611-L659 HydrophobicContact CG-CD1 4.26Å; W611-L659 HydrophobicContact CG-CD2 4.15Å; F642-L659 HydrophobicContact CB-CD2 3.86Å; F642-L659 HydrophobicContact CD1-CD2 3.63Å; F642-L659 HydrophobicContact CD2-CD2 4.32Å; F642-L659 HydrophobicContact CE1-CD2 4.32Å; F642-L659 HydrophobicContact CG-CD2 3.63Å; L659-Y668 PolarHBondContact O-OH 2.99Å; L659-P760 HydrophobicContact CD1-CB 3.6Å; L659-P760 HydrophobicContact CD1-CG 3.51Å |
| 660 | L | 56.3 | Low | 55.5 | Low | 8 Ų | 8 | 82.4 Ų | 82.4 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | trans | -126.7 | 75.3 | -171.8 | -63.1 | 173.3 | 0 | 0 | 0 | 109.6 | F642 I665 Y668 L696 L703 F734 | F642-L660 HydrophobicContact CD2-CD1 3.64Å; F642-L660 HydrophobicContact CE2-CD1 3.58Å; F642-L660 HydrophobicContact CZ-CD1 4.48Å; L660-I665 HydrophobicContact CB-CD1 4.34Å; L660-I665 HydrophobicContact CD2-CG1 4.49Å; L660-Y668 HydrophobicContact CD2-CE2 3.57Å; L660-L696 HydrophobicContact CB-CD1 3.87Å; L660-L696 HydrophobicContact CB-CD2 4.06Å; L660-L696 HydrophobicContact CD1-CD1 3.71Å; L660-L696 HydrophobicContact CG-CD1 4.4Å; L660-L696 WeakPolarHBondContact O-CD2 3.39Å; L660-L703 HydrophobicContact CD1-CB 4.38Å; L660-F734 HydrophobicContact CD2-CE1 4.5Å; L660-F734 HydrophobicContact CD2-CZ 4.32Å | ||
| 661 | N | 58 | Low | 58.4 | Low | 74 Ų | 74 | 80.3 Ų | 80.3 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | trans | -73.1 | 131 | 165.3 | -170.4 | -10.2 | 0 | 0 | 0 | 108.8 | L663 Q664 | N661-L663 PolarHBondContact O-N 3.5Å; N661-L663 VanDerWaalsContact O-N 3.08Å; N661-Q664 PolarHBondContact O-N 3.46Å | ||
| 662 | S | 49.9 | Very low | 61.3 | Low | 63 Ų | 63 | 69.4 Ų | 69.4 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -50.9 | -36.8 | -179.3 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | Q664 I665 | S662-Q664 PolarHBondContact O-N 2.69Å; S662-I665 PolarHBondContact O-N 2.81Å |
| 663 | L | 51.6 | Low | 64.2 | Low | 139 Ų | 139 | 63.9 Ų | 63.9 | 73% | 0.728 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.5 | -13.4 | 178.8 | -67.8 | 169.5 | 0 | 0 | 0 | 115.3 | N661 | N661-L663 PolarHBondContact O-N 3.5Å; N661-L663 VanDerWaalsContact O-N 3.08Å |
| 664 | Q | 64.3 | Low | 67.1 | Low | 61 Ų | 61 | 58.9 Ų | 58.9 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -109.4 | -12.4 | -178.3 | -67.1 | -168.7 | -56.6 | 0 | 0 | 114.1 | N661 S662 D666 N667 Y668 | N661-Q664 PolarHBondContact O-N 3.46Å; S662-Q664 PolarHBondContact O-N 2.69Å; Q664-D666 PolarHBondContact O-N 2.95Å; Q664-N667 WeakPolarHBondContact O-CB 3.45Å; Q664-N667 PolarHBondContact O-N 2.96Å; Q664-N667 VanDerWaalsContact O-N 3.11Å; Q664-Y668 HydrophobicContact CB-CE1 4.3Å |
| 665 | I | 64.1 | Low | 69.7 | Low | 9 Ų | 9 | 50.8 Ų | 50.8 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -36.8 | -175.2 | -76.9 | 151.9 | 0 | 0 | 0 | 112.6 | L660 S662 N667 Y668 L696 | L660-I665 HydrophobicContact CB-CD1 4.34Å; L660-I665 HydrophobicContact CD2-CG1 4.49Å; S662-I665 PolarHBondContact O-N 2.81Å; I665-N667 PolarHBondContact O-N 2.85Å; I665-Y668 HydrophobicContact CB-CD2 4.23Å; I665-Y668 HydrophobicContact CB-CE2 4.27Å; I665-Y668 HydrophobicContact CG1-CD2 3.86Å; I665-Y668 HydrophobicContact CG1-CE2 3.5Å; I665-Y668 PolarHBondContact O-N 3.44Å; I665-L696 HydrophobicContact CD1-CB 3.41Å; I665-L696 VanDerWaalsContact CD1-CB 3.41Å; I665-L696 HydrophobicContact CD1-CD1 4.21Å; I665-L696 HydrophobicContact CD1-CD2 3.52Å; I665-L696 HydrophobicContact CD1-CG 3.89Å |
| 666 | D | 68 | Low | 72.1 | Confident | 145 Ų | 145 | 49.1 Ų | 49.1 | 78% | 0.775 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.3 | 175 | -62.5 | -23.2 | 0 | 0 | 0 | 112.9 | Q664 | Q664-D666 PolarHBondContact O-N 2.95Š|
| 667 | N | 78.2 | Confident | 74.2 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -8.1 | 176 | -62.3 | -31.9 | 0 | 0 | 0 | 113.4 | Q664 I665 P737 | Q664-N667 WeakPolarHBondContact O-CB 3.45Å; Q664-N667 PolarHBondContact O-N 2.96Å; Q664-N667 VanDerWaalsContact O-N 3.11Å; I665-N667 PolarHBondContact O-N 2.85Å; N667-P737 HydrophobicContact CB-CG 4.45Å; N667-P737 VanDerWaalsContact O-CD 3.25Å; N667-P737 WeakPolarHBondContact O-CD 3.47Å; N667-P737 WeakPolarHBondContact O-CG 3.4Å |
| 668 | Y | 85.8 | Confident | 76.2 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | trans | -77.8 | 130.8 | -179.1 | -62.2 | -26.6 | 0 | 0 | 0 | 111.8 | L659 L660 Q664 I665 H670 F734 Q736 | L659-Y668 PolarHBondContact O-OH 2.99Å; L660-Y668 HydrophobicContact CD2-CE2 3.57Å; Q664-Y668 HydrophobicContact CB-CE1 4.3Å; I665-Y668 HydrophobicContact CB-CD2 4.23Å; I665-Y668 HydrophobicContact CB-CE2 4.27Å; I665-Y668 HydrophobicContact CG1-CD2 3.86Å; I665-Y668 HydrophobicContact CG1-CE2 3.5Å; I665-Y668 PolarHBondContact O-N 3.44Å; Y668-H670 PolarHBondContact O-CD2 3.12Å; Y668-H670 PolarHBondContact O-N 2.81Å; Y668-F734 HydrophobicContact CD1-CD2 4.44Å; Y668-F734 HydrophobicContact CD2-CD2 4.28Å; Y668-F734 HydrophobicContact CD2-CE2 4.29Å; Y668-F734 HydrophobicContact CE2-CE2 4.42Å; Y668-F734 HydrophobicContact CE2-CZ 4.45Å; Y668-F734 HydrophobicContact CG-CD2 4.09Å; Y668-F734 HydrophobicContact CG-CE2 4.36Å; Y668-Q736 HydrophobicContact CD1-CB 4.19Å; Y668-Q736 HydrophobicContact CD1-CG 4.24Å; Y668-Q736 HydrophobicContact CE1-CB 4.15Å; Y668-Q736 HydrophobicContact CE1-CG 3.83Å | ||
| 669 | I | 88.8 | Confident | 77.7 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 89.4 | 178 | -53.2 | -178.3 | 0 | 0 | 0 | 107.9 | P65 P68 V71 F734 L735 | P65-I669 HydrophobicContact CG-CG2 4.22Å; P68-I669 HydrophobicContact CG-CD1 4.05Å; V71-I669 HydrophobicContact CB-CD1 4.02Å; V71-I669 HydrophobicContact CG1-CD1 4.01Å; V71-I669 HydrophobicContact CG2-CD1 3.86Å; I669-F734 WeakPolarHBondContact O-CA 3.39Å; I669-L735 HydrophobicContact CB-CB 4.27Å; I669-L735 PolarHBondContact N-O 3.31Å; I669-L735 PolarHBondContact O-N 2.9Å |
| 670 | H | 91.6 | Very high | 79.1 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 137.8 | 172.2 | -60.5 | -79 | 0 | 0 | 0 | 110.5 | P65 Y668 I692 S694 I705 Y732 | P65-H670 WeakPolarHBondContact CD-O 3.13Å; Y668-H670 PolarHBondContact O-CD2 3.12Å; Y668-H670 PolarHBondContact O-N 2.81Å; H670-I692 HydrophobicContact CB-CB 4.15Å; H670-I692 HydrophobicContact CB-CD1 3.81Å; H670-I692 HydrophobicContact CB-CG2 3.81Å; H670-I692 WeakPolarHBondContact O-CD1 3.22Å; H670-S694 VanDerWaalsContact NE2-CB 3.26Å; H670-S694 WeakPolarHBondContact NE2-CB 3.49Å; H670-S694 PolarHBondContact NE2-OG 2.75Å; H670-I705 VanDerWaalsContact CE1-CD1 3.5Å; H670-I705 WeakPolarHBondContact CE1-CD1 3.3Å; H670-Y732 HydrophobicContact CB-CE2 4.27Å; H670-Y732 PolarHBondContact CE1-OH 2.77Å; H670-Y732 AromaticContact ND1-CE2 3.91Å; H670-Y732 AromaticContact ND1-CZ 3.78Å; H670-Y732 PolarHBondContact ND1-OH 2.92Å |
| 671 | Q | 93.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.5 | 179.4 | -64.5 | -168.4 | -65.5 | 0 | 0 | 111.1 | W63 P65 T67 R733 L735 | W63-Q671 HydrophobicContact CB-CB 4.36Å; W63-Q671 HydrophobicContact CD2-CB 4.3Å; W63-Q671 HydrophobicContact CE3-CB 3.76Å; W63-Q671 HydrophobicContact CZ3-CB 4.41Å; P65-Q671 PolarHBondContact O-NE2 2.83Å; T67-Q671 VanDerWaalsContact CA-NE2 3.26Å; T67-Q671 VanDerWaalsContact N-NE2 3.14Å; T67-Q671 PolarHBondContact OG1-NE2 2.79Å; T67-Q671 VanDerWaalsContact OG1-NE2 3.09Å; Q671-R733 HydrophobicContact CB-CG 4.13Å; Q671-R733 PolarHBondContact N-O 3.16Å; Q671-R733 PolarHBondContact O-N 2.98Å; Q671-R733 VanDerWaalsContact O-N 3.07Å; Q671-R733 VanDerWaalsContact O-O 3.11Å; Q671-L735 HydrophobicContact CG-CD1 4.37Å; Q671-L735 HydrophobicContact CG-CG 4.36Å |
| 672 | I | 95.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.1 | 176.9 | -65.9 | 162 | 0 | 0 | 0 | 109.4 | S64 P674 L688 I692 F707 I730 G731 Y732 | S64-I672 PolarHBondContact N-O 2.96Å; S64-I672 PolarHBondContact O-N 3.14Å; I672-P674 WeakPolarHBondContact O-CD 3.3Å; I672-L688 HydrophobicContact CD1-CD1 3.84Å; I672-I692 HydrophobicContact CB-CD1 4.49Å; I672-I692 HydrophobicContact CD1-CD1 3.47Å; I672-I692 VanDerWaalsContact CD1-CD1 3.47Å; I672-I692 HydrophobicContact CD1-CG1 3.61Å; I672-I692 HydrophobicContact CD1-CG2 4.42Å; I672-I692 HydrophobicContact CG1-CD1 3.77Å; I672-I692 HydrophobicContact CG1-CG1 4.45Å; I672-F707 HydrophobicContact CD1-CB 3.88Å; I672-F707 HydrophobicContact CD1-CD1 3.33Å; I672-F707 HydrophobicContact CD1-CD2 3.54Å; I672-F707 HydrophobicContact CD1-CE1 3.59Å; I672-F707 HydrophobicContact CD1-CE2 3.79Å; I672-F707 HydrophobicContact CD1-CG 3.28Å; I672-F707 HydrophobicContact CD1-CZ 3.81Å; I672-F707 HydrophobicContact CG1-CD1 4.44Å; I672-F707 HydrophobicContact CG1-CE1 4.3Å; I672-F707 HydrophobicContact CG1-CZ 4.38Å; I672-F707 HydrophobicContact CG2-CE2 4.23Å; I672-F707 HydrophobicContact CG2-CZ 4.43Å; I672-I730 HydrophobicContact CG2-CD1 3.83Å; I672-I730 HydrophobicContact CG2-CG1 3.99Å; I672-G731 WeakPolarHBondContact CA-O 3.41Å; I672-Y732 HydrophobicContact CG1-CD2 4.16Å |
| 673 | N | 94.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 101.9 | 164.6 | -175.5 | -9.6 | 0 | 0 | 0 | 108 | R59 W63 D675 W676 Q684 I730 G731 | R59-N673 PolarHBondContact NH2-ND2 2.77Å; W63-N673 HydrophobicContact CD2-CB 4.22Å; W63-N673 HydrophobicContact CE3-CB 3.8Å; W63-N673 HydrophobicContact CZ3-CB 3.99Å; N673-D675 PolarHBondContact O-N 3.26Å; N673-D675 PolarHBondContact OD1-N 3.15Å; N673-D675 PolarHBondContact OD1-O 2.72Å; N673-W676 HydrophobicContact CB-CE3 3.99Å; N673-W676 HydrophobicContact CB-CZ3 4.34Å; N673-Q684 PolarHBondContact OD1-NE2 3.22Å; N673-Q684 VanDerWaalsContact OD1-NE2 3.1Å; N673-I730 WeakPolarHBondContact O-CA 3.43Å; N673-G731 PolarHBondContact N-O 3.46Å; N673-G731 PolarHBondContact O-N 3.28Å |
| 674 | P | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -73.7 | -11.5 | -171.3 | 31.1 | -37.6 | 0 | 0 | 0 | 114.2 | I672 F686 I709 | I672-P674 WeakPolarHBondContact O-CD 3.3Å; P674-F686 HydrophobicContact CB-CB 4.03Å; P674-I709 HydrophobicContact CB-CG2 4.11Å |
| 675 | D | 91.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -149.7 | 88.5 | 173.5 | -171.5 | -5.6 | 0 | 0 | 0 | 109.1 | N673 N677 A678 Q684 R685 V728 F729 | N673-D675 PolarHBondContact O-N 3.26Å; N673-D675 PolarHBondContact OD1-N 3.15Å; N673-D675 PolarHBondContact OD1-O 2.72Å; D675-N677 PolarHBondContact O-N 2.66Å; D675-A678 HydrophobicContact CB-CB 4.29Å; D675-A678 WeakPolarHBondContact O-CB 3.3Å; D675-A678 PolarHBondContact O-N 2.91Å; D675-A678 VanDerWaalsContact O-N 3.11Å; D675-Q684 HydrophobicContact CB-CB 4.12Å; D675-Q684 HydrophobicContact CB-CG 4.17Å; D675-R685 IonicContact OD1-CZ 2.79Å; D675-R685 IonicContact OD1-NE 3.29Å; D675-R685 IonicContact OD1-NH2 3.76Å; D675-R685 PolarHBondContact OD1-NH2 2.8Å; D675-R685 WeakPolarHBondContact OD2-CB 3.39Å; D675-R685 WeakPolarHBondContact OD2-CG 3.35Å; D675-R685 IonicContact OD2-CZ 2.67Å; D675-R685 PolarHBondContact OD2-N 3.15Å; D675-R685 IonicContact OD2-NE 3.7Å; D675-R685 PolarHBondContact OD2-NE 3.11Å; D675-R685 IonicContact OD2-NH2 2.83Å; D675-R685 PolarHBondContact OD2-NH2 2.75Å; D675-V728 HydrophobicContact CB-CG1 4.3Å; D675-F729 WeakPolarHBondContact CA-O 3.32Å | ||
| 676 | W | 90.9 | Very high | 87.7 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 19% | 0.186 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.3 | -175 | -170.7 | -102.5 | 0 | 0 | 0 | 113.4 | Y55 R59 W63 N673 A678 F729 L768 | Y55-W676 HydrophobicContact CE1-CH2 4.34Å; Y55-W676 HydrophobicContact CE1-CZ2 4.06Å; Y55-W676 VanDerWaalsContact OH-CZ2 3.25Å; Y55-W676 WeakPolarHBondContact OH-CZ2 3.43Å; R59-W676 PolarHBondContact NH1-O 3.49Å; R59-W676 VanDerWaalsContact NH1-O 3.13Å; R59-W676 VanDerWaalsContact NH2-CG 3.33Å; R59-W676 PolarHBondContact NH2-O 3Å; W63-W676 HydrophobicContact CH2-CH2 4.5Å; W63-W676 AromaticContact CH2-CZ3 3.79Å; W63-W676 HydrophobicContact CH2-CZ3 3.79Å; W63-W676 HydrophobicContact CZ2-CH2 4.13Å; W63-W676 AromaticContact CZ2-CZ3 3.67Å; W63-W676 HydrophobicContact CZ2-CZ3 3.67Å; N673-W676 HydrophobicContact CB-CE3 3.99Å; N673-W676 HydrophobicContact CB-CZ3 4.34Å; W676-A678 VanDerWaalsContact C-N 3.33Å; W676-F729 HydrophobicContact CB-CB 3.95Å; W676-F729 WeakPolarHBondContact CB-O 3.15Å; W676-F729 PolarHBondContact N-O 3.41Å; W676-L768 HydrophobicContact CB-CD1 3.71Å; W676-L768 HydrophobicContact CD2-CD1 3.52Å; W676-L768 HydrophobicContact CE3-CD1 4.04Å; W676-L768 HydrophobicContact CG-CD1 3.38Å; W676-L768 HydrophobicContact CG-CD2 4.37Å |
| 677 | N | 87.7 | Confident | 88.9 | Confident | 66 Ų | 66 | 39 Ų | 39 | 35% | 0.353 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.1 | -176.6 | -75.3 | -10.8 | 0 | 0 | 0 | 113.2 | D675 T725 G727 F729 | D675-N677 PolarHBondContact O-N 2.66Å; N677-T725 PolarHBondContact ND2-O 3.23Å; N677-G727 PolarHBondContact ND2-O 2.67Å; N677-F729 WeakPolarHBondContact ND2-CD2 3.16Å |
| 678 | A | 87.4 | Confident | 89.6 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -69.3 | 142.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L62 D675 W676 Q684 | L62-A678 VanDerWaalsContact CD1-O 3.3Å; L62-A678 WeakPolarHBondContact CD1-O 3.44Å; D675-A678 HydrophobicContact CB-CB 4.29Å; D675-A678 WeakPolarHBondContact O-CB 3.3Å; D675-A678 PolarHBondContact O-N 2.91Å; D675-A678 VanDerWaalsContact O-N 3.11Å; W676-A678 VanDerWaalsContact C-N 3.33Å; A678-Q684 HydrophobicContact CB-CB 4.25Å; A678-Q684 HydrophobicContact CB-CG 3.51Å | ||
| 679 | T | 83.6 | Confident | 89.6 | Confident | 126 Ų | 126 | 40.1 Ų | 40.1 | 77% | 0.773 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -93 | -19.1 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | K61 | K61-T679 WeakPolarHBondContact CE-O 3.46Å; K61-T679 PolarHBondContact NZ-O 3.23Å |
| 680 | D | 87.4 | Confident | 89 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -146.6 | 156.4 | 175.7 | -170.8 | 43.7 | 0 | 0 | 0 | 112.3 | K61 N682 G683 Q684 | K61-D680 WeakPolarHBondContact CE-OD1 3.48Å; K61-D680 IonicContact NZ-OD1 3.07Å; K61-D680 PolarHBondContact NZ-OD1 3.45Å; D680-N682 PolarHBondContact O-N 3.44Å; D680-N682 PolarHBondContact OD2-ND2 3.49Å; D680-G683 WeakPolarHBondContact O-CA 3.41Å; D680-G683 PolarHBondContact O-N 2.82Å; D680-Q684 PolarHBondContact O-N 3.09Å |
| 681 | T | 84.3 | Confident | 88.6 | Confident | 40 Ų | 40 | 45.1 Ų | 45.1 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.3 | 180 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | K61 L62 G683 K712 | K61-T681 WeakPolarHBondContact O-CG2 3.23Å; L62-T681 HydrophobicContact CD2-CG2 4.43Å; T681-G683 VanDerWaalsContact C-N 3.33Å; T681-K712 PolarHBondContact O-NZ 3.14Å |
| 682 | N | 84.2 | Confident | 88.5 | Confident | 138 Ų | 138 | 46.3 Ų | 46.3 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.9 | 174.3 | -63.9 | -56.6 | 0 | 0 | 0 | 112.7 | D680 | D680-N682 PolarHBondContact O-N 3.44Å; D680-N682 PolarHBondContact OD2-ND2 3.49Å |
| 683 | G | 85.1 | Confident | 88.2 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D680 T681 R685 | D680-G683 WeakPolarHBondContact O-CA 3.41Å; D680-G683 PolarHBondContact O-N 2.82Å; T681-G683 VanDerWaalsContact C-N 3.33Å; G683-R685 PolarHBondContact O-N 3.49Å |
| 684 | Q | 88.9 | Confident | 88 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | trans | -64.7 | 117.8 | 175.7 | -70.9 | 177.8 | -50.2 | 0 | 0 | 110.2 | L62 N673 D675 A678 D680 F686 K712 | L62-Q684 PolarHBondContact O-NE2 2.73Å; N673-Q684 PolarHBondContact OD1-NE2 3.22Å; N673-Q684 VanDerWaalsContact OD1-NE2 3.1Å; D675-Q684 HydrophobicContact CB-CB 4.12Å; D675-Q684 HydrophobicContact CB-CG 4.17Å; A678-Q684 HydrophobicContact CB-CB 4.25Å; A678-Q684 HydrophobicContact CB-CG 3.51Å; D680-Q684 PolarHBondContact O-N 3.09Å; Q684-F686 PolarHBondContact O-N 3.13Å; Q684-K712 WeakPolarHBondContact O-CD 3.19Å | ||
| 685 | R | 89.4 | Confident | 87.7 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -68.1 | -19.5 | -179.9 | -66.7 | 167 | -75.3 | -171.3 | 1.9 | 112.7 | D675 G683 K712 I713 M718 G726 G727 | D675-R685 IonicContact OD1-CZ 2.79Å; D675-R685 IonicContact OD1-NE 3.29Å; D675-R685 IonicContact OD1-NH2 3.76Å; D675-R685 PolarHBondContact OD1-NH2 2.8Å; D675-R685 WeakPolarHBondContact OD2-CB 3.39Å; D675-R685 WeakPolarHBondContact OD2-CG 3.35Å; D675-R685 IonicContact OD2-CZ 2.67Å; D675-R685 PolarHBondContact OD2-N 3.15Å; D675-R685 IonicContact OD2-NE 3.7Å; D675-R685 PolarHBondContact OD2-NE 3.11Å; D675-R685 IonicContact OD2-NH2 2.83Å; D675-R685 PolarHBondContact OD2-NH2 2.75Å; G683-R685 PolarHBondContact O-N 3.49Å; R685-K712 PolarHBondContact O-N 2.78Å; R685-I713 HydrophobicContact CG-CD1 4.24Å; R685-M718 HydrophobicContact CB-CE 4.22Å; R685-M718 HydrophobicContact CB-SD 4.25Å; R685-M718 HydrophobicContact CG-CG 4.4Å; R685-M718 HydrophobicContact CG-SD 4.47Å; R685-G726 PolarHBondContact NH1-O 3.39Å; R685-G727 PolarHBondContact NH2-O 3.42Å |
| 686 | F | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155.5 | 178.8 | -65.7 | -91.5 | 0 | 0 | 0 | 111.9 | L628 I634 P674 Q684 I709 Q710 A711 M718 V728 I771 L773 | L628-F686 HydrophobicContact CD2-CE1 3.49Å; L628-F686 VanDerWaalsContact CD2-CE1 3.49Å; L628-F686 HydrophobicContact CD2-CZ 3.41Å; L628-F686 VanDerWaalsContact CD2-CZ 3.41Å; I634-F686 HydrophobicContact CD1-CD1 4.09Å; I634-F686 HydrophobicContact CD1-CE1 3.54Å; P674-F686 HydrophobicContact CB-CB 4.03Å; Q684-F686 PolarHBondContact O-N 3.13Å; F686-I709 HydrophobicContact CB-CD1 4.22Å; F686-I709 HydrophobicContact CD1-CD1 3.74Å; F686-I709 HydrophobicContact CD1-CG1 4.28Å; F686-I709 HydrophobicContact CE1-CD1 4.4Å; F686-I709 HydrophobicContact CG-CD1 4.08Å; F686-Q710 CarbonylContact C-O 3.56Å; F686-Q710 VanDerWaalsContact CA-O 3.25Å; F686-Q710 WeakPolarHBondContact CA-O 3.19Å; F686-A711 HydrophobicContact CD1-CB 4.39Å; F686-A711 HydrophobicContact CE1-CB 4.07Å; F686-M718 HydrophobicContact CE2-CE 3.99Å; F686-M718 HydrophobicContact CE2-SD 4.22Å; F686-M718 HydrophobicContact CZ-CE 3.91Å; F686-M718 HydrophobicContact CZ-SD 4.46Å; F686-V728 HydrophobicContact CD2-CG1 3.75Å; F686-V728 HydrophobicContact CE2-CB 4.3Å; F686-V728 HydrophobicContact CE2-CG1 3.73Å; F686-V728 HydrophobicContact CE2-CG2 4.08Å; F686-I771 HydrophobicContact CD2-CD1 4.28Å; F686-I771 HydrophobicContact CE2-CD1 4.28Å; F686-L773 HydrophobicContact CE2-CD1 4.23Å; F686-L773 HydrophobicContact CZ-CD1 4.01Å; F686-L773 HydrophobicContact CZ-CD2 4.22Å |
| 687 | Q | 92.2 | Very high | 86.8 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138 | 177.4 | -179.2 | 168.3 | -28 | 0 | 0 | 111.1 | I709 Q710 K712 | Q687-I709 CarbonylContact O-C 3.6Å; Q687-I709 WeakPolarHBondContact O-CA 3.3Å; Q687-Q710 PolarHBondContact N-O 3.34Å; Q687-Q710 PolarHBondContact O-N 3.25Å; Q687-K712 HydrophobicContact CB-CG 4.42Å; Q687-K712 VanDerWaalsContact OE1-CE 3.3Å |
| 688 | L | 93.4 | Very high | 86 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.9 | 168.5 | -176.7 | 69.3 | 0 | 0 | 0 | 109.7 | I672 I692 F707 I709 | I672-L688 HydrophobicContact CD1-CD1 3.84Å; L688-I692 HydrophobicContact CD2-CD1 4.21Å; L688-I692 HydrophobicContact CD2-CG1 4.07Å; L688-F707 HydrophobicContact CD1-CB 3.96Å; L688-F707 HydrophobicContact CD1-CD2 3.93Å; L688-F707 HydrophobicContact CD1-CG 4.25Å; L688-I709 HydrophobicContact CD1-CG2 4.5Å |
| 689 | M | 85.8 | Confident | 85.1 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | trans | -101.3 | -36.7 | -176.1 | -83.6 | -60.7 | -59.4 | 0 | 0 | 114.5 | L633 N708 Q710 | L633-M689 HydrophobicContact CD2-CB 4.18Å; L633-M689 HydrophobicContact CD2-CG 3.87Å; M689-N708 PolarHBondContact N-O 3.23Å; M689-Q710 HydrophobicContact CG-CB 3.54Å; M689-Q710 HydrophobicContact CG-CG 4.48Å; M689-Q710 HydrophobicContact SD-CB 4.41Å; M689-Q710 PolarHBondContact SD-OE1 2.82Å | ||
| 690 | N | 76.6 | Confident | 84.4 | Confident | 80 Ų | 80 | 72.9 Ų | 72.9 | 43% | 0.428 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -114 | 161.2 | -172.8 | -69 | 22.5 | 0 | 0 | 0 | 111 | I692 N708 | N690-I692 PolarHBondContact O-N 3.21Å; N690-N708 HydrophobicContact CB-CB 4.47Å; N690-N708 PolarHBondContact ND2-ND2 3.25Å |
| 691 | S | 83.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 63% | 0.629 | 38% | 0.377 | S | S | * | . | trans | -56.7 | 132 | 164.3 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | Q693 | S691-Q693 PolarHBondContact O-N 3Š| ||
| 692 | I | 90.5 | Very high | 83.7 | Confident | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | trans | -63 | 132.6 | 173 | -53 | 171 | 0 | 0 | 0 | 107.8 | H670 I672 L688 N690 I705 F707 | H670-I692 HydrophobicContact CB-CB 4.15Å; H670-I692 HydrophobicContact CB-CD1 3.81Å; H670-I692 HydrophobicContact CB-CG2 3.81Å; H670-I692 WeakPolarHBondContact O-CD1 3.22Å; I672-I692 HydrophobicContact CB-CD1 4.49Å; I672-I692 HydrophobicContact CD1-CD1 3.47Å; I672-I692 VanDerWaalsContact CD1-CD1 3.47Å; I672-I692 HydrophobicContact CD1-CG1 3.61Å; I672-I692 HydrophobicContact CD1-CG2 4.42Å; I672-I692 HydrophobicContact CG1-CD1 3.77Å; I672-I692 HydrophobicContact CG1-CG1 4.45Å; L688-I692 HydrophobicContact CD2-CD1 4.21Å; L688-I692 HydrophobicContact CD2-CG1 4.07Å; N690-I692 PolarHBondContact O-N 3.21Å; I692-I705 HydrophobicContact CG2-CG2 3.44Å; I692-I705 VanDerWaalsContact CG2-CG2 3.44Å; I692-F707 HydrophobicContact CG1-CB 4.49Å | ||
| 693 | Q | 90.1 | Very high | 83.9 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.8 | 172.6 | -62.1 | -62.9 | -82.7 | 0 | 0 | 108.6 | S691 I705 D706 | S691-Q693 PolarHBondContact O-N 3Å; Q693-I705 CarbonylContact O-C 3.57Å; Q693-I705 WeakPolarHBondContact O-CA 3.49Å; Q693-D706 HydrophobicContact CB-CB 4.35Å; Q693-D706 PolarHBondContact N-O 3.17Å; Q693-D706 PolarHBondContact O-N 3.45Å |
| 694 | S | 88.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.4 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | H670 I704 I705 | H670-S694 VanDerWaalsContact NE2-CB 3.26Å; H670-S694 WeakPolarHBondContact NE2-CB 3.49Å; H670-S694 PolarHBondContact NE2-OG 2.75Å; S694-I704 CarbonylContact C-O 3.54Å; S694-I704 WeakPolarHBondContact CA-O 3.24Å; S694-I705 VanDerWaalsContact CB-CD1 3.48Å |
| 695 | R | 88 | Confident | 84.5 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.1 | 177.9 | -175.2 | -169.8 | -57.4 | 164 | 7.5 | 109.7 | I704 | R695-I704 PolarHBondContact N-O 3.32Å; R695-I704 PolarHBondContact O-N 3.43Å |
| 696 | L | 82.3 | Confident | 84.7 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132 | 171.4 | -178 | 78.8 | 0 | 0 | 0 | 110.9 | L660 I665 L698 L703 | L660-L696 HydrophobicContact CB-CD1 3.87Å; L660-L696 HydrophobicContact CB-CD2 4.06Å; L660-L696 HydrophobicContact CD1-CD1 3.71Å; L660-L696 HydrophobicContact CG-CD1 4.4Å; L660-L696 WeakPolarHBondContact O-CD2 3.39Å; I665-L696 HydrophobicContact CD1-CB 3.41Å; I665-L696 VanDerWaalsContact CD1-CB 3.41Å; I665-L696 HydrophobicContact CD1-CD1 4.21Å; I665-L696 HydrophobicContact CD1-CD2 3.52Å; I665-L696 HydrophobicContact CD1-CG 3.89Å; L696-L698 HydrophobicContact CD2-CD2 3.54Å; L696-L698 HydrophobicContact CD2-CG 3.81Å; L696-L698 HydrophobicContact CG-CD2 4.45Å; L696-L698 HydrophobicContact CG-CG 4.41Å; L696-L703 HydrophobicContact CD1-CB 4.44Å |
| 697 | E | 80.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 87 | 172.5 | -64.2 | -170.5 | 169.8 | 0 | 0 | 110.7 | K699 Q700 N701 Q702 I704 | E697-K699 PolarHBondContact O-N 2.92Å; E697-Q700 PolarHBondContact O-N 3.43Å; E697-N701 PolarHBondContact O-N 3.45Å; E697-Q702 HydrophobicContact CB-CG 3.97Å; E697-Q702 PolarHBondContact N-O 3.47Å; E697-Q702 PolarHBondContact OE2-NE2 2.99Å; E697-I704 HydrophobicContact CG-CD1 4.24Å |
| 698 | L | 70.7 | Confident | 85 | Confident | 93 Ų | 93 | 62 Ų | 62 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -30.4 | -178.3 | -72.5 | 165.5 | 0 | 0 | 0 | 114.4 | L657 L696 | L657-L698 HydrophobicContact CD2-CD2 4.13Å; L696-L698 HydrophobicContact CD2-CD2 3.54Å; L696-L698 HydrophobicContact CD2-CG 3.81Å; L696-L698 HydrophobicContact CG-CD2 4.45Å; L696-L698 HydrophobicContact CG-CG 4.41Å |
| 699 | K | 69.7 | Low | 85 | Confident | 212 Ų | 212 | 60.7 Ų | 60.7 | 92% | 0.922 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.9 | 179.5 | -68.8 | -174.9 | 178.7 | -179.7 | 0 | 114 | E697 | E697-K699 PolarHBondContact O-N 2.92Š|
| 700 | Q | 69.1 | Low | 85.4 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -0.5 | -178.7 | -62.2 | -171.8 | 14.6 | 0 | 0 | 112.2 | E697 Q702 | E697-Q700 PolarHBondContact O-N 3.43Å; Q700-Q702 VanDerWaalsContact C-N 3.25Å; Q700-Q702 HydrophobicContact CB-CG 4Å; Q700-Q702 PolarHBondContact O-N 2.9Å |
| 701 | N | 72.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 42.5 | -174.3 | -160.4 | 30.1 | 0 | 0 | 0 | 113.2 | E697 | E697-N701 PolarHBondContact O-N 3.45Š|
| 702 | Q | 84.5 | Confident | 86.5 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.5 | -178.2 | 72.1 | -173.7 | 4 | 0 | 0 | 112.5 | I639 I640 Y641 E697 Q700 I704 | I639-Q702 HydrophobicContact CG2-CB 4.05Å; I639-Q702 HydrophobicContact CG2-CG 4.37Å; I639-Q702 VanDerWaalsContact CG2-OE1 3.28Å; I640-Q702 WeakPolarHBondContact O-CA 3.38Å; Y641-Q702 HydrophobicContact CD1-CB 4.04Å; Y641-Q702 HydrophobicContact CE1-CB 3.67Å; Y641-Q702 PolarHBondContact OH-OE1 3.49Å; E697-Q702 HydrophobicContact CB-CG 3.97Å; E697-Q702 PolarHBondContact N-O 3.47Å; E697-Q702 PolarHBondContact OE2-NE2 2.99Å; Q700-Q702 VanDerWaalsContact C-N 3.25Å; Q700-Q702 HydrophobicContact CB-CG 4Å; Q700-Q702 PolarHBondContact O-N 2.9Å; Q702-I704 HydrophobicContact CG-CG1 4.31Å |
| 703 | L | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.8 | 170.8 | 174.5 | 64.8 | 0 | 0 | 0 | 108.5 | I640 F642 L660 L696 I705 F734 | I640-L703 HydrophobicContact CB-CB 4.31Å; I640-L703 WeakPolarHBondContact CB-O 3.37Å; I640-L703 HydrophobicContact CD1-CD2 4.43Å; I640-L703 PolarHBondContact N-O 3.34Å; I640-L703 PolarHBondContact O-N 2.93Å; F642-L703 HydrophobicContact CE2-CB 4.2Å; F642-L703 HydrophobicContact CE2-CD2 4.24Å; F642-L703 HydrophobicContact CZ-CD2 4.37Å; L660-L703 HydrophobicContact CD1-CB 4.38Å; L696-L703 HydrophobicContact CD1-CB 4.44Å; L703-I705 HydrophobicContact CD1-CD1 4.04Å; L703-I705 HydrophobicContact CD2-CD1 4.14Å; L703-I705 HydrophobicContact CG-CD1 3.85Å; L703-I705 HydrophobicContact CG-CG1 4.34Å; L703-F734 HydrophobicContact CD2-CD1 4.22Å; L703-F734 HydrophobicContact CD2-CE1 4.13Å |
| 704 | I | 91.3 | Very high | 86 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.7 | 178.9 | -54.4 | 176.5 | 0 | 0 | 0 | 108.5 | Q637 I638 S694 R695 E697 Q702 | Q637-I704 HydrophobicContact CG-CG2 3.83Å; I638-I704 CarbonylContact O-C 3.57Å; I638-I704 WeakPolarHBondContact O-CA 3.49Å; S694-I704 CarbonylContact C-O 3.54Å; S694-I704 WeakPolarHBondContact CA-O 3.24Å; R695-I704 PolarHBondContact N-O 3.32Å; R695-I704 PolarHBondContact O-N 3.43Å; E697-I704 HydrophobicContact CG-CD1 4.24Å; Q702-I704 HydrophobicContact CG-CG1 4.31Å |
| 705 | I | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.9 | -179.5 | -53.1 | -63.8 | 0 | 0 | 0 | 109.5 | Q637 I638 I640 H670 I692 Q693 S694 L703 F707 Y732 | Q637-I705 CarbonylContact C-O 3.5Å; Q637-I705 WeakPolarHBondContact CA-O 3.08Å; I638-I705 HydrophobicContact CB-CB 4.3Å; I638-I705 PolarHBondContact N-O 3.15Å; I638-I705 PolarHBondContact O-N 2.78Å; I640-I705 HydrophobicContact CD1-CG1 3.83Å; H670-I705 VanDerWaalsContact CE1-CD1 3.5Å; H670-I705 WeakPolarHBondContact CE1-CD1 3.3Å; I692-I705 HydrophobicContact CG2-CG2 3.44Å; I692-I705 VanDerWaalsContact CG2-CG2 3.44Å; Q693-I705 CarbonylContact O-C 3.57Å; Q693-I705 WeakPolarHBondContact O-CA 3.49Å; S694-I705 VanDerWaalsContact CB-CD1 3.48Å; L703-I705 HydrophobicContact CD1-CD1 4.04Å; L703-I705 HydrophobicContact CD2-CD1 4.14Å; L703-I705 HydrophobicContact CG-CD1 3.85Å; L703-I705 HydrophobicContact CG-CG1 4.34Å; I705-F707 HydrophobicContact CG2-CD1 4.14Å; I705-F707 HydrophobicContact CG2-CE1 4.49Å; I705-Y732 HydrophobicContact CB-CE2 4.37Å; I705-Y732 HydrophobicContact CD1-CE2 4.26Å; I705-Y732 WeakPolarHBondContact CD1-OH 3.47Å; I705-Y732 HydrophobicContact CG1-CE1 4.45Å; I705-Y732 HydrophobicContact CG1-CE2 3.9Å; I705-Y732 HydrophobicContact CG2-CD2 4.24Å; I705-Y732 HydrophobicContact CG2-CE2 3.8Å |
| 706 | D | 94.4 | Very high | 84.8 | Confident | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.7 | -179.2 | -62 | -45.3 | 0 | 0 | 0 | 111.2 | Q637 Q693 | Q637-D706 WeakPolarHBondContact CB-OD1 3.35Å; Q637-D706 VanDerWaalsContact CG-OD1 3.26Å; Q637-D706 WeakPolarHBondContact CG-OD1 3.36Å; Q637-D706 PolarHBondContact NE2-OD1 3.02Å; Q693-D706 HydrophobicContact CB-CB 4.35Å; Q693-D706 PolarHBondContact N-O 3.17Å; Q693-D706 PolarHBondContact O-N 3.45Å |
| 707 | F | 95.3 | Very high | 84.7 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 167.3 | 176.1 | 60.4 | -87.8 | 0 | 0 | 0 | 113 | I636 I638 I672 L688 I692 I705 I709 I730 | I636-F707 HydrophobicContact CB-CD2 4.28Å; I636-F707 HydrophobicContact CB-CE1 4.23Å; I636-F707 HydrophobicContact CB-CE2 3.7Å; I636-F707 HydrophobicContact CB-CZ 3.69Å; I636-F707 HydrophobicContact CD1-CE2 3.94Å; I636-F707 HydrophobicContact CD1-CZ 4.32Å; I636-F707 HydrophobicContact CG1-CE2 4.28Å; I636-F707 HydrophobicContact CG2-CE1 3.99Å; I636-F707 HydrophobicContact CG2-CE2 4.05Å; I636-F707 HydrophobicContact CG2-CZ 3.52Å; I636-F707 PolarHBondContact N-O 2.96Å; I636-F707 PolarHBondContact O-N 2.92Å; I638-F707 HydrophobicContact CD1-CE1 3.69Å; I638-F707 HydrophobicContact CD1-CZ 4.18Å; I638-F707 HydrophobicContact CG1-CE1 3.91Å; I638-F707 HydrophobicContact CG1-CZ 4.48Å; I672-F707 HydrophobicContact CD1-CB 3.88Å; I672-F707 HydrophobicContact CD1-CD1 3.33Å; I672-F707 HydrophobicContact CD1-CD2 3.54Å; I672-F707 HydrophobicContact CD1-CE1 3.59Å; I672-F707 HydrophobicContact CD1-CE2 3.79Å; I672-F707 HydrophobicContact CD1-CG 3.28Å; I672-F707 HydrophobicContact CD1-CZ 3.81Å; I672-F707 HydrophobicContact CG1-CD1 4.44Å; I672-F707 HydrophobicContact CG1-CE1 4.3Å; I672-F707 HydrophobicContact CG1-CZ 4.38Å; I672-F707 HydrophobicContact CG2-CE2 4.23Å; I672-F707 HydrophobicContact CG2-CZ 4.43Å; L688-F707 HydrophobicContact CD1-CB 3.96Å; L688-F707 HydrophobicContact CD1-CD2 3.93Å; L688-F707 HydrophobicContact CD1-CG 4.25Å; I692-F707 HydrophobicContact CG1-CB 4.49Å; I705-F707 HydrophobicContact CG2-CD1 4.14Å; I705-F707 HydrophobicContact CG2-CE1 4.49Å; F707-I709 HydrophobicContact CD2-CG2 3.94Å; F707-I709 HydrophobicContact CE2-CG2 3.83Å; F707-I730 HydrophobicContact CE2-CD1 3.49Å; F707-I730 VanDerWaalsContact CE2-CD1 3.49Å; F707-I730 HydrophobicContact CZ-CD1 3.6Å |
| 708 | N | 94.7 | Very high | 84.7 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.1 | 177 | -63.9 | -31.5 | 0 | 0 | 0 | 111 | I634 P635 M689 N690 | I634-N708 WeakPolarHBondContact O-CA 3.26Å; P635-N708 VanDerWaalsContact CA-OD1 3.22Å; P635-N708 WeakPolarHBondContact CA-OD1 3.29Å; P635-N708 WeakPolarHBondContact CB-OD1 3.26Å; M689-N708 PolarHBondContact N-O 3.23Å; N690-N708 HydrophobicContact CB-CB 4.47Å; N690-N708 PolarHBondContact ND2-ND2 3.25Å |
| 709 | I | 94.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 154.4 | 166.2 | 64.5 | 171.4 | 0 | 0 | 0 | 111.1 | I634 I636 P674 F686 Q687 L688 F707 I730 I771 | I634-I709 HydrophobicContact CB-CG1 3.79Å; I634-I709 HydrophobicContact CD1-CD1 4.16Å; I634-I709 HydrophobicContact CD1-CG1 4.13Å; I634-I709 HydrophobicContact CG1-CG1 4.37Å; I634-I709 HydrophobicContact CG2-CG1 4.4Å; I634-I709 PolarHBondContact N-O 3.45Å; I634-I709 PolarHBondContact O-N 3.28Å; I636-I709 HydrophobicContact CD1-CD1 3.62Å; I636-I709 HydrophobicContact CD1-CG1 3.88Å; P674-I709 HydrophobicContact CB-CG2 4.11Å; F686-I709 HydrophobicContact CB-CD1 4.22Å; F686-I709 HydrophobicContact CD1-CD1 3.74Å; F686-I709 HydrophobicContact CD1-CG1 4.28Å; F686-I709 HydrophobicContact CE1-CD1 4.4Å; F686-I709 HydrophobicContact CG-CD1 4.08Å; Q687-I709 CarbonylContact O-C 3.6Å; Q687-I709 WeakPolarHBondContact O-CA 3.3Å; L688-I709 HydrophobicContact CD1-CG2 4.5Å; F707-I709 HydrophobicContact CD2-CG2 3.94Å; F707-I709 HydrophobicContact CE2-CG2 3.83Å; I709-I730 HydrophobicContact CD1-CD1 4.43Å; I709-I730 HydrophobicContact CG2-CD1 4.26Å; I709-I771 HydrophobicContact CD1-CD1 3.93Å |
| 710 | Q | 93.9 | Very high | 84.6 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.7 | 177.6 | -173.2 | 173.5 | 49.4 | 0 | 0 | 111.3 | N631 D632 L633 F686 Q687 M689 | N631-Q710 PolarHBondContact O-NE2 2.72Å; D632-Q710 WeakPolarHBondContact O-CA 3.21Å; L633-Q710 HydrophobicContact CD2-CB 3.95Å; L633-Q710 HydrophobicContact CD2-CG 4.25Å; F686-Q710 CarbonylContact C-O 3.56Å; F686-Q710 VanDerWaalsContact CA-O 3.25Å; F686-Q710 WeakPolarHBondContact CA-O 3.19Å; Q687-Q710 PolarHBondContact N-O 3.34Å; Q687-Q710 PolarHBondContact O-N 3.25Å; M689-Q710 HydrophobicContact CG-CB 3.54Å; M689-Q710 HydrophobicContact CG-CG 4.48Å; M689-Q710 HydrophobicContact SD-CB 4.41Å; M689-Q710 PolarHBondContact SD-OE1 2.82Å |
| 711 | A | 92.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L628 L629 N631 D632 F686 | L628-A711 HydrophobicContact CD1-CB 4.16Å; L628-A711 HydrophobicContact CD2-CB 3.77Å; L628-A711 HydrophobicContact CG-CB 3.92Å; L629-A711 WeakPolarHBondContact O-CB 3.29Å; N631-A711 WeakPolarHBondContact CA-O 3.08Å; N631-A711 PolarHBondContact N-O 3.23Å; D632-A711 PolarHBondContact O-N 3.1Å; F686-A711 HydrophobicContact CD1-CB 4.39Å; F686-A711 HydrophobicContact CE1-CB 4.07Å |
| 712 | K | 90.2 | Very high | 84.1 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -85.3 | -21.5 | 177.4 | -67 | -165.5 | -168.5 | 167.7 | 0 | 114.4 | K630 T681 Q684 R685 Q687 | K630-K712 WeakPolarHBondContact CD-O 3.15Å; K630-K712 WeakPolarHBondContact CE-O 3.31Å; K630-K712 WeakPolarHBondContact CG-O 3.45Å; K630-K712 PolarHBondContact NZ-O 2.81Å; T681-K712 PolarHBondContact O-NZ 3.14Å; Q684-K712 WeakPolarHBondContact O-CD 3.19Å; R685-K712 PolarHBondContact O-N 2.78Å; Q687-K712 HydrophobicContact CB-CG 4.42Å; Q687-K712 VanDerWaalsContact OE1-CE 3.3Å |
| 713 | I | 87.1 | Confident | 83.1 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -141 | 163.7 | -178.4 | 59.6 | 175.9 | 0 | 0 | 0 | 109.8 | R685 D717 M718 | R685-I713 HydrophobicContact CG-CD1 4.24Å; I713-D717 HydrophobicContact CB-CB 4.42Å; I713-D717 HydrophobicContact CD1-CB 4.38Å; I713-M718 HydrophobicContact CD1-CG 3.75Å; I713-M718 HydrophobicContact CG1-CE 3.95Å; I713-M718 HydrophobicContact CG1-CG 3.84Å; I713-M718 WeakPolarHBondContact O-CE 3.43Å |
| 714 | N | 82.7 | Confident | 81.6 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | trans | -73.3 | 156 | 176.3 | -47.7 | -62.1 | 0 | 0 | 0 | 110.3 | K630 E716 D717 M718 | K630-N714 WeakPolarHBondContact CB-OD1 3.44Å; K630-N714 PolarHBondContact N-OD1 3.34Å; N714-E716 PolarHBondContact O-N 2.75Å; N714-D717 WeakPolarHBondContact CB-OD2 3.46Å; N714-D717 PolarHBondContact ND2-OD2 3.34Å; N714-D717 PolarHBondContact O-N 3.33Å; N714-D717 VanDerWaalsContact O-N 3.1Å; N714-M718 PolarHBondContact O-N 3.28Å | ||
| 715 | I | 80.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -60.5 | -29.3 | 177.6 | -163.6 | 67.5 | 0 | 0 | 0 | 113.5 | N627 L628 D717 M718 L721 L773 S774 R775 | N627-I715 HydrophobicContact CB-CG2 3.69Å; L628-I715 HydrophobicContact CB-CB 4.19Å; L628-I715 PolarHBondContact O-N 3.24Å; I715-D717 VanDerWaalsContact C-N 3.28Å; I715-D717 PolarHBondContact O-N 3.37Å; I715-M718 HydrophobicContact CD1-SD 3.79Å; I715-M718 PolarHBondContact O-N 3.13Å; I715-L721 HydrophobicContact CD1-CD1 3.51Å; I715-L721 HydrophobicContact CD1-CD2 4.34Å; I715-L721 HydrophobicContact CG1-CD1 3.94Å; I715-L773 HydrophobicContact CD1-CB 3.69Å; I715-L773 HydrophobicContact CD1-CD1 3.71Å; I715-L773 HydrophobicContact CD1-CD2 4.38Å; I715-L773 HydrophobicContact CD1-CG 4.12Å; I715-S774 WeakPolarHBondContact CG1-O 3.37Å; I715-R775 HydrophobicContact CG1-CB 4.28Å |
| 716 | E | 72.1 | Confident | 78.7 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -68.6 | -29.7 | 178.9 | -68 | 168.3 | -146.1 | 0 | 0 | 111.9 | N627 N714 | N627-E716 PolarHBondContact ND2-OE1 3.2Å; N714-E716 PolarHBondContact O-N 2.75Å |
| 717 | D | 78.6 | Confident | 77.9 | Confident | 93 Ų | 93 | 59.3 Ų | 59.3 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -86.3 | -4.8 | 177.7 | -54.4 | -53.9 | 0 | 0 | 0 | 112.9 | I713 N714 I715 N719 | I713-D717 HydrophobicContact CB-CB 4.42Å; I713-D717 HydrophobicContact CD1-CB 4.38Å; N714-D717 WeakPolarHBondContact CB-OD2 3.46Å; N714-D717 PolarHBondContact ND2-OD2 3.34Å; N714-D717 PolarHBondContact O-N 3.33Å; N714-D717 VanDerWaalsContact O-N 3.1Å; I715-D717 VanDerWaalsContact C-N 3.28Å; I715-D717 PolarHBondContact O-N 3.37Å; D717-N719 PolarHBondContact O-N 3.24Å |
| 718 | M | 80.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | trans | -85.5 | 107.8 | -179.6 | -69.1 | -170.8 | -164.3 | 0 | 0 | 111.3 | L628 R685 F686 I713 N714 I715 L721 L773 | L628-M718 HydrophobicContact CD2-CE 4.02Å; R685-M718 HydrophobicContact CB-CE 4.22Å; R685-M718 HydrophobicContact CB-SD 4.25Å; R685-M718 HydrophobicContact CG-CG 4.4Å; R685-M718 HydrophobicContact CG-SD 4.47Å; F686-M718 HydrophobicContact CE2-CE 3.99Å; F686-M718 HydrophobicContact CE2-SD 4.22Å; F686-M718 HydrophobicContact CZ-CE 3.91Å; F686-M718 HydrophobicContact CZ-SD 4.46Å; I713-M718 HydrophobicContact CD1-CG 3.75Å; I713-M718 HydrophobicContact CG1-CE 3.95Å; I713-M718 HydrophobicContact CG1-CG 3.84Å; I713-M718 WeakPolarHBondContact O-CE 3.43Å; N714-M718 PolarHBondContact O-N 3.28Å; I715-M718 HydrophobicContact CD1-SD 3.79Å; I715-M718 PolarHBondContact O-N 3.13Å; M718-L721 HydrophobicContact CB-CD1 3.62Å; M718-L721 HydrophobicContact CB-CG 4.09Å; M718-L773 HydrophobicContact SD-CD1 4.42Å | ||
| 719 | N | 72.3 | Confident | 77.4 | Confident | 125 Ų | 125 | 59.1 Ų | 59.1 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 159.3 | 174.2 | -64.6 | -27.5 | 0 | 0 | 0 | 112.9 | D717 L721 | D717-N719 PolarHBondContact O-N 3.24Å; N719-L721 VanDerWaalsContact C-N 3.25Å; N719-L721 PolarHBondContact O-N 2.85Å; N719-L721 VanDerWaalsContact O-N 3.07Å |
| 720 | D | 67.4 | Low | 77.4 | Confident | 123 Ų | 123 | 59.1 Ų | 59.1 | 66% | 0.658 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 3.5 | 169.8 | -57.6 | -29.3 | 0 | 0 | 0 | 119.4 | E722 S723 G726 | D720-E722 PolarHBondContact O-N 3.47Å; D720-S723 PolarHBondContact O-N 2.91Å; D720-S723 VanDerWaalsContact O-N 3.08Å; D720-S723 PolarHBondContact O-OG 3.15Å; D720-G726 CarbonylContact C-O 3.57Å; D720-G726 CarbonylContact O-C 3.59Å; D720-G726 VanDerWaalsContact O-C 3.31Å; D720-G726 VanDerWaalsContact O-CA 3.3Å; D720-G726 WeakPolarHBondContact O-CA 3.28Å |
| 721 | L | 68.1 | Low | 77.4 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -34.9 | 179.3 | -80.4 | 166.9 | 0 | 0 | 0 | 116.1 | I715 M718 N719 V728 L773 | I715-L721 HydrophobicContact CD1-CD1 3.51Å; I715-L721 HydrophobicContact CD1-CD2 4.34Å; I715-L721 HydrophobicContact CG1-CD1 3.94Å; M718-L721 HydrophobicContact CB-CD1 3.62Å; M718-L721 HydrophobicContact CB-CG 4.09Å; N719-L721 VanDerWaalsContact C-N 3.25Å; N719-L721 PolarHBondContact O-N 2.85Å; N719-L721 VanDerWaalsContact O-N 3.07Å; L721-V728 HydrophobicContact CD2-CG2 3.79Å; L721-L773 HydrophobicContact CD2-CD1 3.95Å |
| 722 | E | 62 | Low | 77.6 | Confident | 158 Ų | 158 | 57.3 Ų | 57.3 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -15.8 | -174.3 | -70.7 | 175.4 | -173.2 | 0 | 0 | 113.4 | D720 R775 | D720-E722 PolarHBondContact O-N 3.47Å; E722-R775 VanDerWaalsContact CD-NH2 3.34Å; E722-R775 IonicContact OE1-CZ 3.96Å; E722-R775 IonicContact OE1-NE 3.57Å; E722-R775 IonicContact OE1-NH2 2.8Å; E722-R775 PolarHBondContact OE1-NH2 3.09Å; E722-R775 IonicContact OE2-NH2 2.84Å |
| 723 | S | 63.4 | Low | 77.7 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -77.3 | 148.2 | 176.1 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | D720 T725 G726 | D720-S723 PolarHBondContact O-N 2.91Å; D720-S723 VanDerWaalsContact O-N 3.08Å; D720-S723 PolarHBondContact O-OG 3.15Å; S723-T725 PolarHBondContact O-N 2.92Å; S723-T725 VanDerWaalsContact O-N 3.17Å; S723-G726 PolarHBondContact O-N 3.06Å; S723-G726 WeakPolarHBondContact OG-CA 3.48Å; S723-G726 PolarHBondContact OG-N 3.15Å |
| 724 | I | 57.9 | Low | 77.9 | Confident | 162 Ų | 162 | 53 Ų | 53 | 83% | 0.831 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -37.9 | -180 | -66.1 | 168.8 | 0 | 0 | 0 | 111 | ||
| 725 | T | 61.2 | Low | 78.1 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 69% | 0.687 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -29.9 | 179.7 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | N677 S723 G727 | N677-T725 PolarHBondContact ND2-O 3.23Å; S723-T725 PolarHBondContact O-N 2.92Å; S723-T725 VanDerWaalsContact O-N 3.17Å; T725-G727 PolarHBondContact O-N 2.89Å |
| 726 | G | 63.6 | Low | 78.4 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 4.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R685 D720 S723 | R685-G726 PolarHBondContact NH1-O 3.39Å; D720-G726 CarbonylContact C-O 3.57Å; D720-G726 CarbonylContact O-C 3.59Å; D720-G726 VanDerWaalsContact O-C 3.31Å; D720-G726 VanDerWaalsContact O-CA 3.3Å; D720-G726 WeakPolarHBondContact O-CA 3.28Å; S723-G726 PolarHBondContact O-N 3.06Å; S723-G726 WeakPolarHBondContact OG-CA 3.48Å; S723-G726 PolarHBondContact OG-N 3.15Å |
| 727 | G | 77.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -52.2 | 165.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113 | N677 R685 T725 | N677-G727 PolarHBondContact ND2-O 2.67Å; R685-G727 PolarHBondContact NH2-O 3.42Å; T725-G727 PolarHBondContact O-N 2.89Å |
| 728 | V | 87.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -93.3 | 126.2 | 171.6 | -161.5 | 0 | 0 | 0 | 0 | 108.1 | D675 F686 L721 K770 I771 L773 | D675-V728 HydrophobicContact CB-CG1 4.3Å; F686-V728 HydrophobicContact CD2-CG1 3.75Å; F686-V728 HydrophobicContact CE2-CB 4.3Å; F686-V728 HydrophobicContact CE2-CG1 3.73Å; F686-V728 HydrophobicContact CE2-CG2 4.08Å; L721-V728 HydrophobicContact CD2-CG2 3.79Å; V728-K770 CarbonylContact O-C 3.48Å; V728-K770 WeakPolarHBondContact O-CA 3.27Å; V728-I771 HydrophobicContact CB-CB 4.38Å; V728-I771 HydrophobicContact CB-CD1 4.2Å; V728-I771 HydrophobicContact CB-CG1 4.37Å; V728-I771 HydrophobicContact CG1-CD1 3.77Å; V728-I771 HydrophobicContact CG1-CG1 4.39Å; V728-I771 PolarHBondContact O-N 3.02Å; V728-L773 HydrophobicContact CB-CD1 4.25Å; V728-L773 HydrophobicContact CG2-CD1 3.57Å | ||
| 729 | F | 92.2 | Very high | 79 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.2 | 175.5 | -61.1 | -104.2 | 0 | 0 | 0 | 109.8 | D675 W676 N677 L768 A769 K770 | D675-F729 WeakPolarHBondContact CA-O 3.32Å; W676-F729 HydrophobicContact CB-CB 3.95Å; W676-F729 WeakPolarHBondContact CB-O 3.15Å; W676-F729 PolarHBondContact N-O 3.41Å; N677-F729 WeakPolarHBondContact ND2-CD2 3.16Å; F729-L768 HydrophobicContact CB-CD1 3.74Å; F729-L768 HydrophobicContact CB-CG 4.21Å; F729-L768 HydrophobicContact CD1-CG 4.37Å; F729-A769 CarbonylContact C-O 3.57Å; F729-A769 WeakPolarHBondContact CA-O 3.5Å; F729-K770 HydrophobicContact CD1-CB 3.83Å; F729-K770 HydrophobicContact CD1-CG 4.47Å; F729-K770 HydrophobicContact CE1-CB 3.72Å; F729-K770 HydrophobicContact CE1-CD 4.48Å; F729-K770 HydrophobicContact CE1-CG 4.22Å; F729-K770 HydrophobicContact CZ-CB 4.34Å; F729-K770 HydrophobicContact CZ-CD 4.32Å; F729-K770 HydrophobicContact CZ-CG 4.35Å |
| 730 | I | 93.7 | Very high | 79 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.6 | 174 | -177.2 | 158.4 | 0 | 0 | 0 | 109.3 | Y617 F619 I636 I672 N673 F707 I709 L768 A769 I771 | Y617-I730 HydrophobicContact CD1-CG2 3.96Å; Y617-I730 HydrophobicContact CE1-CG1 4.39Å; Y617-I730 HydrophobicContact CE1-CG2 3.56Å; Y617-I730 PolarHBondContact OH-O 3.15Å; F619-I730 HydrophobicContact CE1-CG2 4.18Å; F619-I730 HydrophobicContact CZ-CG2 3.98Å; I636-I730 HydrophobicContact CD1-CD1 3.91Å; I672-I730 HydrophobicContact CG2-CD1 3.83Å; I672-I730 HydrophobicContact CG2-CG1 3.99Å; N673-I730 WeakPolarHBondContact O-CA 3.43Å; F707-I730 HydrophobicContact CE2-CD1 3.49Å; F707-I730 VanDerWaalsContact CE2-CD1 3.49Å; F707-I730 HydrophobicContact CZ-CD1 3.6Å; I709-I730 HydrophobicContact CD1-CD1 4.43Å; I709-I730 HydrophobicContact CG2-CD1 4.26Å; I730-L768 WeakPolarHBondContact O-CA 3.34Å; I730-A769 HydrophobicContact CG2-CB 4.41Å; I730-A769 WeakPolarHBondContact CG2-O 3.39Å; I730-A769 PolarHBondContact N-O 2.69Å; I730-A769 PolarHBondContact O-N 2.75Å; I730-I771 HydrophobicContact CB-CD1 4.47Å; I730-I771 HydrophobicContact CB-CG1 4.45Å; I730-I771 HydrophobicContact CG2-CG1 4.22Å |
| 731 | G | 94.6 | Very high | 79.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I672 N673 C767 | I672-G731 WeakPolarHBondContact CA-O 3.41Å; N673-G731 PolarHBondContact N-O 3.46Å; N673-G731 PolarHBondContact O-N 3.28Å; G731-C767 WeakPolarHBondContact CA-O 3.17Å |
| 732 | Y | 95.7 | Very high | 79.6 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147 | 177.3 | 166.9 | -88.8 | 0 | 0 | 0 | 111.5 | Y617 I638 I640 H670 I672 I705 W764 C767 | Y617-Y732 WeakPolarHBondContact OH-CB 3.41Å; Y617-Y732 PolarHBondContact OH-N 2.95Å; I638-Y732 HydrophobicContact CD1-CD1 4.45Å; I638-Y732 HydrophobicContact CD1-CD2 4.05Å; I638-Y732 HydrophobicContact CD1-CG 3.73Å; I640-Y732 HydrophobicContact CD1-CD1 3.64Å; I640-Y732 HydrophobicContact CD1-CE1 3.15Å; H670-Y732 HydrophobicContact CB-CE2 4.27Å; H670-Y732 PolarHBondContact CE1-OH 2.77Å; H670-Y732 AromaticContact ND1-CE2 3.91Å; H670-Y732 AromaticContact ND1-CZ 3.78Å; H670-Y732 PolarHBondContact ND1-OH 2.92Å; I672-Y732 HydrophobicContact CG1-CD2 4.16Å; I705-Y732 HydrophobicContact CB-CE2 4.37Å; I705-Y732 HydrophobicContact CD1-CE2 4.26Å; I705-Y732 WeakPolarHBondContact CD1-OH 3.47Å; I705-Y732 HydrophobicContact CG1-CE1 4.45Å; I705-Y732 HydrophobicContact CG1-CE2 3.9Å; I705-Y732 HydrophobicContact CG2-CD2 4.24Å; I705-Y732 HydrophobicContact CG2-CE2 3.8Å; Y732-W764 HydrophobicContact CD1-CE3 4.36Å; Y732-W764 AromaticContact CD1-CZ3 3.96Å; Y732-W764 HydrophobicContact CD1-CZ3 3.96Å; Y732-W764 HydrophobicContact CE1-CE3 4.44Å; Y732-W764 HydrophobicContact CE1-CH2 4.09Å; Y732-W764 AromaticContact CE1-CZ3 3.64Å; Y732-W764 HydrophobicContact CE1-CZ3 3.64Å; Y732-C767 PolarHBondContact N-O 2.77Å |
| 733 | R | 93.4 | Very high | 80.6 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 6% | 0.06 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 174.7 | 162.2 | 68.2 | -177.6 | -173.1 | -173.3 | 1 | 110.9 | D56 W63 T67 Q671 W764 | D56-R733 IonicContact OD1-CZ 3.32Å; D56-R733 VanDerWaalsContact OD1-CZ 3.31Å; D56-R733 IonicContact OD1-NH1 3.09Å; D56-R733 PolarHBondContact OD1-NH1 2.75Å; D56-R733 IonicContact OD1-NH2 2.69Å; D56-R733 PolarHBondContact OD1-NH2 3.11Å; D56-R733 IonicContact OD2-CZ 2.67Å; D56-R733 IonicContact OD2-NH1 2.71Å; D56-R733 PolarHBondContact OD2-NH1 3.27Å; D56-R733 IonicContact OD2-NH2 3.55Å; D56-R733 PolarHBondContact OD2-NH2 3.15Å; W63-R733 HydrophobicContact CE3-CG 4.39Å; W63-R733 HydrophobicContact CH2-CB 4.32Å; W63-R733 HydrophobicContact CH2-CG 3.8Å; W63-R733 HydrophobicContact CZ2-CG 4.18Å; W63-R733 HydrophobicContact CZ3-CG 3.92Å; T67-R733 PolarHBondContact OG1-NH2 3.04Å; Q671-R733 HydrophobicContact CB-CG 4.13Å; Q671-R733 PolarHBondContact N-O 3.16Å; Q671-R733 PolarHBondContact O-N 2.98Å; Q671-R733 VanDerWaalsContact O-N 3.07Å; Q671-R733 VanDerWaalsContact O-O 3.11Å; R733-W764 HydrophobicContact CB-CD2 3.7Å; R733-W764 HydrophobicContact CB-CE3 4.12Å; R733-W764 HydrophobicContact CB-CG 4Å; R733-W764 HydrophobicContact CB-CZ2 4.25Å |
| 734 | F | 90.7 | Very high | 81.8 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.6 | 158.6 | 67.8 | -107.4 | 0 | 0 | 0 | 111.7 | F642 L660 Y668 I669 L703 Q736 I762 W764 | F642-F734 HydrophobicContact CE1-CE1 4.32Å; F642-F734 AromaticContact CZ-CE1 3.86Å; F642-F734 HydrophobicContact CZ-CE1 3.86Å; L660-F734 HydrophobicContact CD2-CE1 4.5Å; L660-F734 HydrophobicContact CD2-CZ 4.32Å; Y668-F734 HydrophobicContact CD1-CD2 4.44Å; Y668-F734 HydrophobicContact CD2-CD2 4.28Å; Y668-F734 HydrophobicContact CD2-CE2 4.29Å; Y668-F734 HydrophobicContact CE2-CE2 4.42Å; Y668-F734 HydrophobicContact CE2-CZ 4.45Å; Y668-F734 HydrophobicContact CG-CD2 4.09Å; Y668-F734 HydrophobicContact CG-CE2 4.36Å; I669-F734 WeakPolarHBondContact O-CA 3.39Å; L703-F734 HydrophobicContact CD2-CD1 4.22Å; L703-F734 HydrophobicContact CD2-CE1 4.13Å; F734-Q736 HydrophobicContact CE2-CB 4.42Å; F734-I762 HydrophobicContact CE1-CD1 4.33Å; F734-I762 HydrophobicContact CE2-CD1 4.07Å; F734-I762 HydrophobicContact CZ-CD1 3.62Å; F734-W764 AromaticContact CD1-CH2 3.5Å; F734-W764 HydrophobicContact CD1-CH2 3.5Å; F734-W764 AromaticContact CD1-CZ2 3.92Å; F734-W764 HydrophobicContact CD1-CZ2 3.92Å; F734-W764 AromaticContact CE1-CH2 3.61Å; F734-W764 HydrophobicContact CE1-CH2 3.61Å; F734-W764 HydrophobicContact CE1-CZ2 4Å; F734-W764 HydrophobicContact CG-CH2 4.22Å; F734-W764 HydrophobicContact CG-CZ2 4.23Å; F734-W764 HydrophobicContact CZ-CH2 4.37Å; F734-W764 HydrophobicContact CZ-CZ2 4.36Å |
| 735 | L | 88.3 | Confident | 83 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.8 | 169.1 | -48.4 | 176 | 0 | 0 | 0 | 109.3 | T67 V71 P73 I669 Q671 | T67-L735 HydrophobicContact CG2-CD1 3.83Å; V71-L735 HydrophobicContact CG1-CB 4Å; P73-L735 HydrophobicContact CB-CD2 4.14Å; P73-L735 HydrophobicContact CG-CD2 4.09Å; I669-L735 HydrophobicContact CB-CB 4.27Å; I669-L735 PolarHBondContact N-O 3.31Å; I669-L735 PolarHBondContact O-N 2.9Å; Q671-L735 HydrophobicContact CG-CD1 4.37Å; Q671-L735 HydrophobicContact CG-CG 4.36Å |
| 736 | Q | 85 | Confident | 84.1 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -90.8 | 126.7 | 174.2 | 176.2 | 173.1 | -20.5 | 0 | 0 | 110 | Y668 F734 K758 R759 P760 | Y668-Q736 HydrophobicContact CD1-CB 4.19Å; Y668-Q736 HydrophobicContact CD1-CG 4.24Å; Y668-Q736 HydrophobicContact CE1-CB 4.15Å; Y668-Q736 HydrophobicContact CE1-CG 3.83Å; F734-Q736 HydrophobicContact CE2-CB 4.42Å; Q736-K758 PolarHBondContact NE2-O 2.93Å; Q736-R759 HydrophobicContact CG-CG 4.39Å; Q736-R759 PolarHBondContact O-NE 2.83Å; Q736-R759 PolarHBondContact O-NH2 3.15Å; Q736-P760 VanDerWaalsContact OE1-CD 3.26Å |
| 737 | P | 83.8 | Confident | 84.8 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -63 | 164.3 | 170.5 | -22.7 | 34.2 | 0 | 0 | 0 | 113.8 | V71 N667 | V71-P737 HydrophobicContact CG1-CB 4.32Å; V71-P737 HydrophobicContact CG1-CG 4.16Å; N667-P737 HydrophobicContact CB-CG 4.45Å; N667-P737 VanDerWaalsContact O-CD 3.25Å; N667-P737 WeakPolarHBondContact O-CD 3.47Å; N667-P737 WeakPolarHBondContact O-CG 3.4Å |
| 738 | C | 84.1 | Confident | 85 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -66 | 156.5 | 167.3 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | N741 Q742 C751 | C738-N741 PolarHBondContact O-N 3.19Å; C738-Q742 HydrophobicContact CB-CB 3.98Å; C738-Q742 WeakPolarHBondContact CB-O 3.41Å; C738-C751 WeakPolarHBondContact CA-SG 3.22Å; C738-C751 HydrophobicContact CB-CB 3.67Å; C738-C751 WeakPolarHBondContact CB-SG 3.34Å; C738-C751 WeakPolarHBondContact SG-CB 3.35Å; C738-C751 CovalentContact SG-SG 2.03Å; C738-C751 PolarHBondContact SG-SG 3.06Å |
| 739 | Y | 76.2 | Confident | 84.8 | Confident | 127 Ų | 127 | 48.5 Ų | 48.5 | 50% | 0.498 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -60.5 | 146.7 | 178.4 | -160 | -98.2 | 0 | 0 | 0 | 111.3 | L183 N741 Q742 | L183-Y739 HydrophobicContact CD1-CD1 4.14Å; L183-Y739 HydrophobicContact CD1-CG 4.35Å; L183-Y739 HydrophobicContact CD2-CD1 3.77Å; L183-Y739 HydrophobicContact CD2-CE1 3.99Å; L183-Y739 HydrophobicContact CD2-CG 4.12Å; Y739-N741 VanDerWaalsContact C-N 3.27Å; Y739-N741 PolarHBondContact O-N 3.33Å; Y739-Q742 WeakPolarHBondContact O-CG 3.34Å; Y739-Q742 PolarHBondContact O-N 3.02Å |
| 740 | G | 72.5 | Confident | 84.5 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | 66.1 | 20.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q742 | G740-Q742 PolarHBondContact O-N 2.99Š|
| 741 | N | 70.1 | Confident | 84.2 | Confident | 120 Ų | 120 | 46.7 Ų | 46.7 | 64% | 0.642 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | 58.4 | 27.5 | -174.9 | -65.1 | -7.9 | 0 | 0 | 0 | 114 | C738 Y739 | C738-N741 PolarHBondContact O-N 3.19Å; Y739-N741 VanDerWaalsContact C-N 3.27Å; Y739-N741 PolarHBondContact O-N 3.33Å |
| 742 | Q | 78.4 | Confident | 83.5 | Confident | 76 Ų | 76 | 49.8 Ų | 49.8 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 156.5 | 168.5 | -66.1 | 179.9 | -9.9 | 0 | 0 | 111 | C738 Y739 G740 | C738-Q742 HydrophobicContact CB-CB 3.98Å; C738-Q742 WeakPolarHBondContact CB-O 3.41Å; Y739-Q742 WeakPolarHBondContact O-CG 3.34Å; Y739-Q742 PolarHBondContact O-N 3.02Å; G740-Q742 PolarHBondContact O-N 2.99Å |
| 743 | N | 83.9 | Confident | 82.6 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 155.7 | 170.3 | -65.4 | -37.1 | 0 | 0 | 0 | 110.1 | N70 | N70-N743 HydrophobicContact CB-CB 4.06Å; N70-N743 WeakPolarHBondContact CB-OD1 3.07Å; N70-N743 PolarHBondContact ND2-OD1 3.09Å |
| 744 | V | 87.4 | Confident | 81.8 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.6 | 167 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | L69 N70 G749 T750 | L69-V744 WeakPolarHBondContact O-CG2 3.28Å; N70-V744 PolarHBondContact O-N 3.19Å; N70-V744 VanDerWaalsContact O-N 3.16Å; V744-G749 WeakPolarHBondContact CG1-O 3.36Å; V744-T750 CarbonylContact C-O 3.49Å; V744-T750 VanDerWaalsContact CA-O 3.24Å; V744-T750 WeakPolarHBondContact CA-O 3.44Å; V744-T750 WeakPolarHBondContact CB-O 3.45Å |
| 745 | I | 84.2 | Confident | 81.2 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 49% | 0.492 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -91.9 | -24.2 | -174.9 | 49.6 | 161.9 | 0 | 0 | 0 | 114.6 | T750 L752 | I745-T750 HydrophobicContact CD1-CG2 4.13Å; I745-T750 HydrophobicContact CG1-CG2 4.18Å; I745-T750 WeakPolarHBondContact CG1-O 3.43Å; I745-T750 PolarHBondContact N-O 2.84Å; I745-L752 HydrophobicContact CD1-CD2 3.92Å; I745-L752 HydrophobicContact CD1-CG 4.17Å; I745-L752 HydrophobicContact CG2-CD1 3.57Å; I745-L752 HydrophobicContact CG2-CD2 4.22Å; I745-L752 HydrophobicContact CG2-CG 3.55Å |
| 746 | D | 83.2 | Confident | 81 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -125.3 | 176.2 | -179.7 | 76.6 | -12.6 | 0 | 0 | 0 | 110.6 | N748 G749 T750 | D746-N748 VanDerWaalsContact C-N 3.29Å; D746-N748 PolarHBondContact OD1-N 2.94Å; D746-N748 VanDerWaalsContact OD1-N 3.15Å; D746-N748 VanDerWaalsContact OD2-CB 3.3Å; D746-N748 WeakPolarHBondContact OD2-CB 3.29Å; D746-N748 PolarHBondContact OD2-ND2 2.78Å; D746-G749 PolarHBondContact OD1-N 2.9Å; D746-G749 VanDerWaalsContact OD1-N 3.08Å; D746-T750 WeakPolarHBondContact OD1-CB 3.46Å; D746-T750 PolarHBondContact OD1-N 2.93Å |
| 747 | Q | 79.5 | Confident | 80.8 | Confident | 156 Ų | 156 | 51.3 Ų | 51.3 | 73% | 0.729 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -41.6 | 174.3 | -65.4 | -177.4 | -0.4 | 0 | 0 | 109.8 | W53 G749 | W53-Q747 HydrophobicContact CH2-CB 4.07Å; W53-Q747 WeakPolarHBondContact CH2-O 3.31Å; W53-Q747 HydrophobicContact CZ2-CB 3.87Å; W53-Q747 WeakPolarHBondContact CZ3-O 3.42Å; Q747-G749 PolarHBondContact O-N 3.26Å |
| 748 | N | 80.5 | Confident | 80.5 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 1.5 | -174.6 | -47.8 | -50.5 | 0 | 0 | 0 | 115.8 | W53 D74 D746 | W53-N748 VanDerWaalsContact CZ3-CA 3.42Å; D74-N748 WeakPolarHBondContact CA-O 3.43Å; D74-N748 WeakPolarHBondContact CB-O 3.32Å; D746-N748 VanDerWaalsContact C-N 3.29Å; D746-N748 PolarHBondContact OD1-N 2.94Å; D746-N748 VanDerWaalsContact OD1-N 3.15Å; D746-N748 VanDerWaalsContact OD2-CB 3.3Å; D746-N748 WeakPolarHBondContact OD2-CB 3.29Å; D746-N748 PolarHBondContact OD2-ND2 2.78Å |
| 749 | G | 84.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 81.9 | 15.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | W72 V744 D746 Q747 R759 | W72-G749 WeakPolarHBondContact O-CA 3.36Å; V744-G749 WeakPolarHBondContact CG1-O 3.36Å; D746-G749 PolarHBondContact OD1-N 2.9Å; D746-G749 VanDerWaalsContact OD1-N 3.08Å; Q747-G749 PolarHBondContact O-N 3.26Å; G749-R759 PolarHBondContact O-NH1 2.89Å | ||
| 750 | T | 85.4 | Confident | 80.3 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.7 | 179.1 | -73.7 | 0 | 0 | 0 | 0 | 111.2 | K76 Q79 V744 I745 D746 | K76-T750 WeakPolarHBondContact CE-OG1 3.43Å; K76-T750 PolarHBondContact NZ-OG1 3.41Å; Q79-T750 PolarHBondContact OE1-OG1 3.14Å; V744-T750 CarbonylContact C-O 3.49Å; V744-T750 VanDerWaalsContact CA-O 3.24Å; V744-T750 WeakPolarHBondContact CA-O 3.44Å; V744-T750 WeakPolarHBondContact CB-O 3.45Å; I745-T750 HydrophobicContact CD1-CG2 4.13Å; I745-T750 HydrophobicContact CG1-CG2 4.18Å; I745-T750 WeakPolarHBondContact CG1-O 3.43Å; I745-T750 PolarHBondContact N-O 2.84Å; D746-T750 WeakPolarHBondContact OD1-CB 3.46Å; D746-T750 PolarHBondContact OD1-N 2.93Å |
| 751 | C | 86.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -102.3 | 151.7 | 171.6 | -56.9 | 0 | 0 | 0 | 0 | 110 | C738 W756 R759 | C738-C751 WeakPolarHBondContact CA-SG 3.22Å; C738-C751 HydrophobicContact CB-CB 3.67Å; C738-C751 WeakPolarHBondContact CB-SG 3.34Å; C738-C751 WeakPolarHBondContact SG-CB 3.35Å; C738-C751 CovalentContact SG-SG 2.03Å; C738-C751 PolarHBondContact SG-SG 3.06Å; C751-W756 HydrophobicContact CB-CB 4.45Å; C751-R759 VanDerWaalsContact SG-CD 3.52Å |
| 752 | L | 80.7 | Confident | 81.5 | Confident | 68 Ų | 68 | 42.3 Ų | 42.3 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 168.6 | 176.5 | -79.2 | 165.1 | 0 | 0 | 0 | 113.5 | I745 G754 G755 | I745-L752 HydrophobicContact CD1-CD2 3.92Å; I745-L752 HydrophobicContact CD1-CG 4.17Å; I745-L752 HydrophobicContact CG2-CD1 3.57Å; I745-L752 HydrophobicContact CG2-CD2 4.22Å; I745-L752 HydrophobicContact CG2-CG 3.55Å; L752-G754 VanDerWaalsContact C-N 3.26Å; L752-G754 PolarHBondContact O-N 2.81Å; L752-G755 WeakPolarHBondContact O-CA 3.37Å; L752-G755 PolarHBondContact O-N 3.14Å |
| 753 | D | 76.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 33.6 | 165.1 | -56.8 | -41.1 | 0 | 0 | 0 | 113.6 | D82 T83 L183 G755 | D82-D753 PolarHBondContact OD2-N 3.4Å; T83-D753 WeakPolarHBondContact CG2-O 3.35Å; L183-D753 WeakPolarHBondContact CB-O 3.45Å; D753-G755 PolarHBondContact O-N 2.79Å |
| 754 | G | 76.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 2.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D82 L184 L752 W756 L757 | D82-G754 PolarHBondContact OD1-N 2.72Å; D82-G754 VanDerWaalsContact OD1-N 3.09Å; L184-G754 VanDerWaalsContact CD2-CA 3.48Å; L752-G754 VanDerWaalsContact C-N 3.26Å; L752-G754 PolarHBondContact O-N 2.81Å; G754-W756 PolarHBondContact O-N 3.07Å; G754-W756 VanDerWaalsContact O-N 3.08Å; G754-L757 WeakPolarHBondContact O-CB 3.49Å; G754-L757 PolarHBondContact O-N 2.85Å |
| 755 | G | 79 | Confident | 82.3 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L752 D753 L757 K758 | L752-G755 WeakPolarHBondContact O-CA 3.37Å; L752-G755 PolarHBondContact O-N 3.14Å; D753-G755 PolarHBondContact O-N 2.79Å; G755-L757 VanDerWaalsContact C-N 3.32Å; G755-K758 PolarHBondContact O-N 2.83Å |
| 756 | W | 82.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.8 | 174.7 | 58.6 | -96.9 | 0 | 0 | 0 | 113 | Q79 E80 D82 L184 A606 R608 C751 G754 K758 R759 | Q79-W756 HydrophobicContact CB-CD2 3.94Å; Q79-W756 HydrophobicContact CB-CE3 3.67Å; Q79-W756 HydrophobicContact CB-CH2 3.68Å; Q79-W756 HydrophobicContact CB-CZ2 3.92Å; Q79-W756 HydrophobicContact CB-CZ3 3.56Å; Q79-W756 HydrophobicContact CG-CD2 4.43Å; Q79-W756 VanDerWaalsContact O-CH2 3.22Å; Q79-W756 WeakPolarHBondContact O-CH2 3.43Å; E80-W756 VanDerWaalsContact O-CZ2 3.3Å; E80-W756 WeakPolarHBondContact O-CZ2 3.47Å; D82-W756 PolarHBondContact OD1-NE1 2.03Å; L184-W756 HydrophobicContact CD2-CZ2 3.87Å; A606-W756 HydrophobicContact CB-CH2 3.91Å; A606-W756 WeakPolarHBondContact O-CH2 3.22Å; R608-W756 WeakPolarHBondContact CD-O 3.46Å; R608-W756 HydrophobicContact CG-CE3 4.05Å; R608-W756 HydrophobicContact CG-CZ3 3.8Å; R608-W756 PolarHBondContact NH1-O 2.67Å; R608-W756 VanDerWaalsContact NH1-O 3.09Å; C751-W756 HydrophobicContact CB-CB 4.45Å; G754-W756 PolarHBondContact O-N 3.07Å; G754-W756 VanDerWaalsContact O-N 3.08Å; W756-K758 VanDerWaalsContact C-N 3.32Å; W756-R759 PolarHBondContact O-N 3.3Å |
| 757 | L | 81.3 | Confident | 83.3 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -24.8 | 176.6 | -175.9 | 59.2 | 0 | 0 | 0 | 111.9 | L184 S607 R608 G754 G755 R759 | L184-L757 HydrophobicContact CD2-CD2 4.23Å; L184-L757 VanDerWaalsContact O-CD2 3.29Å; L184-L757 WeakPolarHBondContact O-CD2 3.33Å; S607-L757 WeakPolarHBondContact O-CD1 3.19Å; R608-L757 HydrophobicContact CG-CD1 4.01Å; G754-L757 WeakPolarHBondContact O-CB 3.49Å; G754-L757 PolarHBondContact O-N 2.85Å; G755-L757 VanDerWaalsContact C-N 3.32Å; L757-R759 PolarHBondContact O-N 3.2Å |
| 758 | K | 77.8 | Confident | 84 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 26% | 0.261 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.2 | 172.9 | -57.3 | -45.2 | -163.4 | -141 | 0 | 113.4 | N179 L183 Q736 G755 W756 | N179-K758 VanDerWaalsContact OD1-CE 3.26Å; N179-K758 WeakPolarHBondContact OD1-CE 3.37Å; N179-K758 PolarHBondContact OD1-NZ 2.99Å; L183-K758 WeakPolarHBondContact O-CE 3.1Å; L183-K758 PolarHBondContact O-NZ 3.25Å; Q736-K758 PolarHBondContact NE2-O 2.93Å; G755-K758 PolarHBondContact O-N 2.83Å; W756-K758 VanDerWaalsContact C-N 3.32Å |
| 759 | R | 81 | Confident | 84.5 | Confident | 14 Ų | 14 | 33 Ų | 33 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -98.9 | 106.7 | 172.5 | -62.1 | 179.2 | 82.4 | -154.2 | 8.6 | 108.6 | W72 Q736 G749 C751 W756 L757 | W72-R759 PolarHBondContact O-NH1 2.85Å; W72-R759 PolarHBondContact O-NH2 2.85Å; Q736-R759 HydrophobicContact CG-CG 4.39Å; Q736-R759 PolarHBondContact O-NE 2.83Å; Q736-R759 PolarHBondContact O-NH2 3.15Å; G749-R759 PolarHBondContact O-NH1 2.89Å; C751-R759 VanDerWaalsContact SG-CD 3.52Å; W756-R759 PolarHBondContact O-N 3.3Å; L757-R759 PolarHBondContact O-N 3.2Å |
| 760 | P | 75.3 | Confident | 84.8 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | trans | -64.7 | 147.6 | 179.7 | 30.9 | -38.6 | 0 | 0 | 0 | 111 | L659 Q736 I762 | L659-P760 HydrophobicContact CD1-CB 3.6Å; L659-P760 HydrophobicContact CD1-CG 3.51Å; Q736-P760 VanDerWaalsContact OE1-CD 3.26Å; P760-I762 HydrophobicContact CB-CG1 4.17Å; P760-I762 HydrophobicContact CG-CD1 3.89Å; P760-I762 HydrophobicContact CG-CG1 3.94Å; P760-I762 PolarHBondContact O-N 3.37Å | ||
| 761 | F | 80.8 | Confident | 85 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 108 | 167 | -177.9 | -93.3 | 0 | 0 | 0 | 108.9 | F75 L77 Y609 K610 W611 | F75-F761 HydrophobicContact CD1-CE2 4.38Å; L77-F761 HydrophobicContact CD2-CB 4.49Å; L77-F761 HydrophobicContact CD2-CD1 3.82Å; L77-F761 HydrophobicContact CD2-CD2 4.02Å; L77-F761 HydrophobicContact CD2-CE1 4Å; L77-F761 HydrophobicContact CD2-CE2 4.18Å; L77-F761 HydrophobicContact CD2-CG 3.83Å; L77-F761 HydrophobicContact CD2-CZ 4.18Å; Y609-F761 PolarHBondContact O-N 3.07Å; K610-F761 CarbonylContact C-O 3.59Å; K610-F761 VanDerWaalsContact CA-O 3.3Å; K610-F761 WeakPolarHBondContact CA-O 3.39Å; K610-F761 HydrophobicContact CB-CD1 4.33Å; K610-F761 HydrophobicContact CD-CD1 4.2Å; K610-F761 HydrophobicContact CD-CE1 4.41Å; K610-F761 HydrophobicContact CG-CD1 3.97Å; W611-F761 PolarHBondContact N-O 3.48Å |
| 762 | I | 86.4 | Confident | 85 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.9 | -178.2 | -56.4 | 170 | 0 | 0 | 0 | 109.8 | W611 A613 F642 F734 P760 W764 | W611-I762 HydrophobicContact CB-CG1 4.36Å; W611-I762 WeakPolarHBondContact O-CA 3.41Å; A613-I762 HydrophobicContact CB-CG2 3.87Å; F642-I762 HydrophobicContact CE1-CD1 4.18Å; F642-I762 HydrophobicContact CE1-CG2 4.19Å; F734-I762 HydrophobicContact CE1-CD1 4.33Å; F734-I762 HydrophobicContact CE2-CD1 4.07Å; F734-I762 HydrophobicContact CZ-CD1 3.62Å; P760-I762 HydrophobicContact CB-CG1 4.17Å; P760-I762 HydrophobicContact CG-CD1 3.89Å; P760-I762 HydrophobicContact CG-CG1 3.94Å; P760-I762 PolarHBondContact O-N 3.37Å; I762-W764 HydrophobicContact CB-CZ2 4.04Å; I762-W764 HydrophobicContact CD1-CH2 4.45Å; I762-W764 HydrophobicContact CD1-CZ2 3.8Å; I762-W764 HydrophobicContact CG2-CD2 3.92Å; I762-W764 VanDerWaalsContact CG2-CE2 3.5Å; I762-W764 HydrophobicContact CG2-CE3 4.4Å; I762-W764 HydrophobicContact CG2-CG 4.38Å; I762-W764 HydrophobicContact CG2-CH2 4.13Å; I762-W764 HydrophobicContact CG2-CZ2 3.65Å; I762-W764 HydrophobicContact CG2-CZ3 4.47Å; I762-W764 PolarHBondContact O-N 2.68Å; I762-W764 PolarHBondContact O-NE1 3.28Å |
| 763 | D | 87 | Confident | 84.9 | Confident | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114.2 | 166.5 | -179.1 | 10.1 | 0 | 0 | 0 | 110.2 | W611 I612 A613 S765 | W611-D763 PolarHBondContact O-N 2.84Å; I612-D763 HydrophobicContact CG1-CB 4.39Å; A613-D763 PolarHBondContact N-O 2.82Å; D763-S765 VanDerWaalsContact CG-OG 3.23Å; D763-S765 WeakPolarHBondContact OD1-CB 3.05Å; D763-S765 PolarHBondContact OD1-N 3.12Å; D763-S765 PolarHBondContact OD1-OG 2.91Å; D763-S765 PolarHBondContact OD2-OG 3.24Å |
| 764 | W | 91.1 | Very high | 84.3 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | trans | -96.9 | 8.3 | 179.4 | -63.2 | 100.3 | 0 | 0 | 0 | 113.3 | A613 F642 Y732 R733 F734 I762 K766 C767 | A613-W764 HydrophobicContact CB-CD2 4.49Å; A613-W764 HydrophobicContact CB-CE3 3.78Å; A613-W764 HydrophobicContact CB-CH2 4.42Å; A613-W764 HydrophobicContact CB-CZ3 3.71Å; F642-W764 HydrophobicContact CE1-CH2 4.21Å; F642-W764 HydrophobicContact CZ-CH2 4.27Å; Y732-W764 HydrophobicContact CD1-CE3 4.36Å; Y732-W764 AromaticContact CD1-CZ3 3.96Å; Y732-W764 HydrophobicContact CD1-CZ3 3.96Å; Y732-W764 HydrophobicContact CE1-CE3 4.44Å; Y732-W764 HydrophobicContact CE1-CH2 4.09Å; Y732-W764 AromaticContact CE1-CZ3 3.64Å; Y732-W764 HydrophobicContact CE1-CZ3 3.64Å; R733-W764 HydrophobicContact CB-CD2 3.7Å; R733-W764 HydrophobicContact CB-CE3 4.12Å; R733-W764 HydrophobicContact CB-CG 4Å; R733-W764 HydrophobicContact CB-CZ2 4.25Å; F734-W764 AromaticContact CD1-CH2 3.5Å; F734-W764 HydrophobicContact CD1-CH2 3.5Å; F734-W764 AromaticContact CD1-CZ2 3.92Å; F734-W764 HydrophobicContact CD1-CZ2 3.92Å; F734-W764 AromaticContact CE1-CH2 3.61Å; F734-W764 HydrophobicContact CE1-CH2 3.61Å; F734-W764 HydrophobicContact CE1-CZ2 4Å; F734-W764 HydrophobicContact CG-CH2 4.22Å; F734-W764 HydrophobicContact CG-CZ2 4.23Å; F734-W764 HydrophobicContact CZ-CH2 4.37Å; F734-W764 HydrophobicContact CZ-CZ2 4.36Å; I762-W764 HydrophobicContact CB-CZ2 4.04Å; I762-W764 HydrophobicContact CD1-CH2 4.45Å; I762-W764 HydrophobicContact CD1-CZ2 3.8Å; I762-W764 HydrophobicContact CG2-CD2 3.92Å; I762-W764 VanDerWaalsContact CG2-CE2 3.5Å; I762-W764 HydrophobicContact CG2-CE3 4.4Å; I762-W764 HydrophobicContact CG2-CG 4.38Å; I762-W764 HydrophobicContact CG2-CH2 4.13Å; I762-W764 HydrophobicContact CG2-CZ2 3.65Å; I762-W764 HydrophobicContact CG2-CZ3 4.47Å; I762-W764 PolarHBondContact O-N 2.68Å; I762-W764 PolarHBondContact O-NE1 3.28Å; W764-K766 PolarHBondContact O-N 2.71Å; W764-K766 VanDerWaalsContact O-N 3.16Å; W764-C767 HydrophobicContact CE3-CB 4.06Å; W764-C767 WeakPolarHBondContact O-CB 3.19Å; W764-C767 PolarHBondContact O-N 2.98Å | ||
| 765 | S | 88.4 | Confident | 83.5 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.6 | -174.4 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | D763 C767 | D763-S765 VanDerWaalsContact CG-OG 3.23Å; D763-S765 WeakPolarHBondContact OD1-CB 3.05Å; D763-S765 PolarHBondContact OD1-N 3.12Å; D763-S765 PolarHBondContact OD1-OG 2.91Å; D763-S765 PolarHBondContact OD2-OG 3.24Å; S765-C767 VanDerWaalsContact C-N 3.34Å |
| 766 | K | 91.7 | Very high | 82.6 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.5 | 176.6 | -59.8 | -172.4 | 174.2 | -171.9 | 0 | 114.8 | I612 D614 W764 L768 | I612-K766 HydrophobicContact CG2-CD 4.43Å; D614-K766 WeakPolarHBondContact OD1-CD 3.31Å; D614-K766 IonicContact OD1-NZ 2.71Å; D614-K766 PolarHBondContact OD1-NZ 3.18Å; D614-K766 IonicContact OD2-NZ 2.73Å; D614-K766 PolarHBondContact OD2-NZ 3.04Å; W764-K766 PolarHBondContact O-N 2.71Å; W764-K766 VanDerWaalsContact O-N 3.16Å; K766-L768 PolarHBondContact O-N 2.88Å |
| 767 | C | 96 | Very high | 81.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -89.4 | 30.7 | -179.5 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | C615 Y617 G731 Y732 W764 S765 | C615-C767 HydrophobicContact CB-CB 3.78Å; C615-C767 WeakPolarHBondContact CB-SG 3.35Å; C615-C767 WeakPolarHBondContact SG-CB 3.47Å; C615-C767 CovalentContact SG-SG 2.04Å; C615-C767 PolarHBondContact SG-SG 2.97Å; Y617-C767 PolarHBondContact OH-O 3.49Å; G731-C767 WeakPolarHBondContact CA-O 3.17Å; Y732-C767 PolarHBondContact N-O 2.77Å; W764-C767 HydrophobicContact CE3-CB 4.06Å; W764-C767 WeakPolarHBondContact O-CB 3.19Å; W764-C767 PolarHBondContact O-N 2.98Å; S765-C767 VanDerWaalsContact C-N 3.34Å | ||
| 768 | L | 93.9 | Very high | 80.1 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.8 | 174 | -178.1 | 68.1 | 0 | 0 | 0 | 109.6 | W676 F729 I730 K766 | W676-L768 HydrophobicContact CB-CD1 3.71Å; W676-L768 HydrophobicContact CD2-CD1 3.52Å; W676-L768 HydrophobicContact CE3-CD1 4.04Å; W676-L768 HydrophobicContact CG-CD1 3.38Å; W676-L768 HydrophobicContact CG-CD2 4.37Å; F729-L768 HydrophobicContact CB-CD1 3.74Å; F729-L768 HydrophobicContact CB-CG 4.21Å; F729-L768 HydrophobicContact CD1-CG 4.37Å; I730-L768 WeakPolarHBondContact O-CA 3.34Å; K766-L768 PolarHBondContact O-N 2.88Å |
| 769 | A | 92.6 | Very high | 78.9 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y617 F619 F729 I730 | Y617-A769 HydrophobicContact CD1-CB 3.96Å; Y617-A769 HydrophobicContact CD2-CB 3.32Å; Y617-A769 HydrophobicContact CE1-CB 4.24Å; Y617-A769 HydrophobicContact CE2-CB 3.62Å; Y617-A769 HydrophobicContact CG-CB 3.48Å; Y617-A769 VanDerWaalsContact CG-CB 3.48Å; F619-A769 HydrophobicContact CE2-CB 4.31Å; F619-A769 HydrophobicContact CZ-CB 4.18Å; F729-A769 CarbonylContact C-O 3.57Å; F729-A769 WeakPolarHBondContact CA-O 3.5Å; I730-A769 HydrophobicContact CG2-CB 4.41Å; I730-A769 WeakPolarHBondContact CG2-O 3.39Å; I730-A769 PolarHBondContact N-O 2.69Å; I730-A769 PolarHBondContact O-N 2.75Å |
| 770 | K | 89.7 | Confident | 77.5 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.2 | 176.3 | -171.8 | 175.6 | 177.6 | 174 | 0 | 110.5 | V728 F729 | V728-K770 CarbonylContact O-C 3.48Å; V728-K770 WeakPolarHBondContact O-CA 3.27Å; F729-K770 HydrophobicContact CD1-CB 3.83Å; F729-K770 HydrophobicContact CD1-CG 4.47Å; F729-K770 HydrophobicContact CE1-CB 3.72Å; F729-K770 HydrophobicContact CE1-CD 4.48Å; F729-K770 HydrophobicContact CE1-CG 4.22Å; F729-K770 HydrophobicContact CZ-CB 4.34Å; F729-K770 HydrophobicContact CZ-CD 4.32Å; F729-K770 HydrophobicContact CZ-CG 4.35Å |
| 771 | I | 89.6 | Confident | 76.7 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | trans | -75.5 | 126.5 | 175.3 | -51.4 | -178 | 0 | 0 | 0 | 109 | F619 L623 F686 I709 V728 I730 L773 | F619-I771 HydrophobicContact CE1-CB 4.48Å; F619-I771 HydrophobicContact CE1-CG1 4.18Å; F619-I771 HydrophobicContact CE1-CG2 4.39Å; L623-I771 HydrophobicContact CD1-CG2 4.12Å; F686-I771 HydrophobicContact CD2-CD1 4.28Å; F686-I771 HydrophobicContact CE2-CD1 4.28Å; I709-I771 HydrophobicContact CD1-CD1 3.93Å; V728-I771 HydrophobicContact CB-CB 4.38Å; V728-I771 HydrophobicContact CB-CD1 4.2Å; V728-I771 HydrophobicContact CB-CG1 4.37Å; V728-I771 HydrophobicContact CG1-CD1 3.77Å; V728-I771 HydrophobicContact CG1-CG1 4.39Å; V728-I771 PolarHBondContact O-N 3.02Å; I730-I771 HydrophobicContact CB-CD1 4.47Å; I730-I771 HydrophobicContact CB-CG1 4.45Å; I730-I771 HydrophobicContact CG2-CG1 4.22Å; I771-L773 HydrophobicContact CB-CG 4.31Å; I771-L773 HydrophobicContact CG2-CD1 4.42Å; I771-L773 HydrophobicContact CG2-CD2 3.76Å; I771-L773 HydrophobicContact CG2-CG 3.89Å; I771-L773 PolarHBondContact O-N 3.41Å | ||
| 772 | P | 86.2 | Confident | 75.8 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | trans | -82.5 | 82.1 | -174.8 | 32.7 | -35.5 | 0 | 0 | 0 | 112 | F619 L623 A624 | F619-P772 HydrophobicContact CB-CG 3.92Å; F619-P772 HydrophobicContact CD2-CG 4.18Å; F619-P772 HydrophobicContact CG-CG 4Å; L623-P772 CarbonylContact C-O 3.57Å; L623-P772 HydrophobicContact CB-CG 4.44Å; L623-P772 VanDerWaalsContact CB-O 3.26Å; L623-P772 WeakPolarHBondContact CB-O 3.29Å; L623-P772 HydrophobicContact CD1-CG 4.35Å; A624-P772 PolarHBondContact N-O 3.2Å | ||
| 773 | L | 78.9 | Confident | 74.6 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 20% | 0.204 | 36% | 0.358 | C | S | . | . | trans | -96.3 | 145.8 | -175.9 | -58.9 | 171.6 | 0 | 0 | 0 | 113 | L623 L628 F686 I715 M718 L721 V728 I771 | L623-L773 HydrophobicContact CD2-CD2 4.18Å; L628-L773 HydrophobicContact CB-CD2 4.49Å; L628-L773 HydrophobicContact CD2-CD2 3.8Å; F686-L773 HydrophobicContact CE2-CD1 4.23Å; F686-L773 HydrophobicContact CZ-CD1 4.01Å; F686-L773 HydrophobicContact CZ-CD2 4.22Å; I715-L773 HydrophobicContact CD1-CB 3.69Å; I715-L773 HydrophobicContact CD1-CD1 3.71Å; I715-L773 HydrophobicContact CD1-CD2 4.38Å; I715-L773 HydrophobicContact CD1-CG 4.12Å; M718-L773 HydrophobicContact SD-CD1 4.42Å; L721-L773 HydrophobicContact CD2-CD1 3.95Å; V728-L773 HydrophobicContact CB-CD1 4.25Å; V728-L773 HydrophobicContact CG2-CD1 3.57Å; I771-L773 HydrophobicContact CB-CG 4.31Å; I771-L773 HydrophobicContact CG2-CD1 4.42Å; I771-L773 HydrophobicContact CG2-CD2 3.76Å; I771-L773 HydrophobicContact CG2-CG 3.89Å; I771-L773 PolarHBondContact O-N 3.41Å | ||
| 774 | S | 64.5 | Low | 73.7 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -118.4 | 142.1 | 177 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | L623 A624 R626 N627 I715 | L623-S774 PolarHBondContact O-N 3.36Å; L623-S774 PolarHBondContact O-OG 2.85Å; A624-S774 WeakPolarHBondContact O-CB 3.47Å; R626-S774 PolarHBondContact N-OG 2.74Å; R626-S774 PolarHBondContact O-OG 2.77Å; N627-S774 PolarHBondContact OD1-O 3.14Å; I715-S774 WeakPolarHBondContact CG1-O 3.37Å |
| 775 | R | 60.3 | Low | 72.9 | Confident | 100 Ų | 100 | 69 Ų | 69 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | trans | -133.1 | 125.9 | -179.7 | -175.1 | 173.4 | 74.5 | 159.3 | 1.8 | 111.2 | N627 I715 E722 | N627-R775 WeakPolarHBondContact OD1-CA 3.46Å; I715-R775 HydrophobicContact CG1-CB 4.28Å; E722-R775 VanDerWaalsContact CD-NH2 3.34Å; E722-R775 IonicContact OE1-CZ 3.96Å; E722-R775 IonicContact OE1-NE 3.57Å; E722-R775 IonicContact OE1-NH2 2.8Å; E722-R775 PolarHBondContact OE1-NH2 3.09Å; E722-R775 IonicContact OE2-NH2 2.84Å | ||
| 776 | Y | 59 | Low | 72.5 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | trans | -109.8 | 142.3 | -177.5 | -61.3 | -38.3 | 0 | 0 | 0 | 112.7 | I625 N627 Q857 G858 | I625-Y776 VanDerWaalsContact C-OH 3.29Å; I625-Y776 PolarHBondContact O-OH 3.44Å; I625-Y776 VanDerWaalsContact O-OH 3.04Å; N627-Y776 WeakPolarHBondContact OD1-CB 3.39Å; N627-Y776 WeakPolarHBondContact OD1-CD2 3.47Å; N627-Y776 PolarHBondContact OD1-N 3.2Å; Y776-Q857 VanDerWaalsContact CB-OE1 3.29Å; Y776-Q857 HydrophobicContact CD1-CB 3.76Å; Y776-Q857 HydrophobicContact CD1-CG 4.3Å; Y776-Q857 HydrophobicContact CD2-CB 4.17Å; Y776-Q857 HydrophobicContact CE1-CB 4.06Å; Y776-Q857 HydrophobicContact CE2-CB 4.41Å; Y776-Q857 HydrophobicContact CG-CB 3.85Å; Y776-G858 WeakPolarHBondContact OH-CA 3.37Å | ||
| 777 | V | 54.7 | Low | 72.2 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | trans | -134.5 | 117.1 | -175.3 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 778 | C | 58.3 | Low | 71.8 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | trans | -97 | 119.1 | -173.1 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | C784 | C778-C784 HydrophobicContact CB-CB 4.09Å; C778-C784 WeakPolarHBondContact CB-SG 3.48Å; C778-C784 WeakPolarHBondContact SG-CB 3.14Å; C778-C784 CovalentContact SG-SG 2.03Å; C778-C784 PolarHBondContact SG-SG 3.03Å | ||
| 779 | Y | 51.9 | Low | 71.5 | Confident | 179 Ų | 179 | 58.7 Ų | 58.7 | 70% | 0.702 | 31% | 0.313 | S | S | * | . | trans | -140.2 | 141 | 173 | 179.1 | -88.3 | 0 | 0 | 0 | 107.8 | ||||
| 780 | P | 51.6 | Low | 71.4 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | S | Bend | cis | -94 | -6.6 | 8.4 | 36.1 | -35.9 | 0 | 0 | 0 | 116.1 | ||
| 781 | T | 58.7 | Low | 71.3 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 31% | 0.307 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -95.7 | 146.8 | -178.4 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | V783 T854 | T781-V783 PolarHBondContact O-N 3.26Å; T781-V783 PolarHBondContact OG1-O 3.43Å; T781-T854 WeakPolarHBondContact OG1-CG2 3.33Å |
| 782 | P | 60.8 | Low | 71.5 | Confident | 135 Ų | 135 | 57.2 Ų | 57.2 | 88% | 0.877 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -72.1 | -13.7 | 179.4 | 30.3 | -36.8 | 0 | 0 | 0 | 113.7 | ||
| 783 | V | 62.6 | Low | 71.7 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -113.1 | 123.2 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | T781 K785 | T781-V783 PolarHBondContact O-N 3.26Å; T781-V783 PolarHBondContact OG1-O 3.43Å; V783-K785 HydrophobicContact CG1-CG 4.28Å |
| 784 | C | 67.2 | Low | 72.3 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 25% | 0.25 | 29% | 0.287 | C | S | . | . | trans | -71.2 | 125.9 | 174.6 | -38.2 | 0 | 0 | 0 | 0 | 109.2 | C778 T963 | C778-C784 HydrophobicContact CB-CB 4.09Å; C778-C784 WeakPolarHBondContact CB-SG 3.48Å; C778-C784 WeakPolarHBondContact SG-CB 3.14Å; C778-C784 CovalentContact SG-SG 2.03Å; C778-C784 PolarHBondContact SG-SG 3.03Å; C784-T963 HydrophobicContact CB-CG2 4.01Å | ||
| 785 | K | 74.3 | Confident | 73.5 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 47% | 0.47 | 30% | 0.296 | S | S | . | . | trans | -141.5 | 121 | 173.1 | -67 | -171.4 | 179.7 | -174.6 | 0 | 110.2 | V783 P853 T854 P964 | V783-K785 HydrophobicContact CG1-CG 4.28Å; K785-P853 HydrophobicContact CB-CG 4.11Å; K785-P853 WeakPolarHBondContact O-CD 3.48Å; K785-T854 VanDerWaalsContact C-OG1 3.32Å; K785-T854 PolarHBondContact N-OG1 3.45Å; K785-T854 PolarHBondContact O-N 3.31Å; K785-T854 PolarHBondContact O-OG1 2.98Å; K785-P964 WeakPolarHBondContact CA-O 3.5Å | ||
| 786 | S | 80.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | trans | -95.7 | 167.3 | 166.1 | 43.8 | 0 | 0 | 0 | 0 | 110 | A856 T963 P964 P966 | S786-A856 VanDerWaalsContact CB-CB 3.47Å; S786-T963 WeakPolarHBondContact CB-OG1 3.39Å; S786-T963 PolarHBondContact OG-O 3.27Å; S786-T963 PolarHBondContact OG-OG1 2.81Å; S786-P964 PolarHBondContact N-O 2.84Å; S786-P964 PolarHBondContact OG-O 3.41Å; S786-P966 WeakPolarHBondContact O-CD 3.36Å | ||
| 787 | D | 85.1 | Confident | 75.9 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | trans | -149.1 | 87.4 | 168.6 | -176.6 | 10.2 | 0 | 0 | 0 | 105.6 | Y805 N850 Y851 | D787-Y805 PolarHBondContact OD2-OH 2.97Å; D787-N850 PolarHBondContact N-OD1 3.26Å; D787-N850 VanDerWaalsContact N-OD1 3.14Å; D787-N850 CarbonylContact O-C 3.5Å; D787-N850 WeakPolarHBondContact O-CA 3.44Å; D787-Y851 PolarHBondContact O-N 2.77Å | ||
| 788 | V | 87 | Confident | 77.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 146.6 | -172.1 | 171.4 | 0 | 0 | 0 | 0 | 110 | I848 Y849 N850 A856 V959 T961 D965 S970 N971 | V788-I848 HydrophobicContact CG1-CG2 3.83Å; V788-Y849 CarbonylContact C-O 3.44Å; V788-Y849 VanDerWaalsContact CA-O 3.23Å; V788-Y849 WeakPolarHBondContact CA-O 3.42Å; V788-Y849 WeakPolarHBondContact CG1-O 3.49Å; V788-N850 HydrophobicContact CG2-CB 4.27Å; V788-A856 HydrophobicContact CG2-CB 4.27Å; V788-V959 HydrophobicContact CG1-CB 4.34Å; V788-V959 HydrophobicContact CG1-CG1 3.87Å; V788-T961 HydrophobicContact CB-CG2 4.14Å; V788-T961 HydrophobicContact CG2-CG2 3.54Å; V788-D965 PolarHBondContact N-OD2 2.74Å; V788-S970 PolarHBondContact O-OG 2.93Å; V788-N971 WeakPolarHBondContact CA-OD1 3.35Å; V788-N971 WeakPolarHBondContact CB-OD1 3.25Å; V788-N971 VanDerWaalsContact CG1-OD1 3.25Å; V788-N971 WeakPolarHBondContact CG1-OD1 3.4Å; V788-N971 PolarHBondContact O-OD1 3.22Å |
| 789 | V | 87.5 | Confident | 78.8 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 132.4 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | F803 Y805 Y849 Y851 | V789-F803 HydrophobicContact CG1-CB 4.19Å; V789-Y805 HydrophobicContact CG2-CD2 4.33Å; V789-Y849 PolarHBondContact N-O 3.38Å; V789-Y849 PolarHBondContact O-N 3.03Å; V789-Y851 HydrophobicContact CB-CD2 4.13Å; V789-Y851 HydrophobicContact CB-CE2 3.79Å; V789-Y851 HydrophobicContact CG1-CE2 4.34Å; V789-Y851 HydrophobicContact CG2-CD2 3.53Å; V789-Y851 HydrophobicContact CG2-CE2 3.61Å |
| 790 | L | 89.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 141.6 | 170 | -77.5 | -178.9 | 0 | 0 | 0 | 112.5 | I846 I848 I957 V959 S970 N971 I973 | L790-I846 HydrophobicContact CD2-CG2 3.92Å; L790-I848 HydrophobicContact CD2-CG1 3.97Å; L790-I957 HydrophobicContact CD1-CB 4.31Å; L790-I957 HydrophobicContact CD1-CG2 3.72Å; L790-V959 HydrophobicContact CD1-CG2 4.15Å; L790-V959 HydrophobicContact CD2-CG2 3.64Å; L790-V959 HydrophobicContact CG-CG2 4.07Å; L790-S970 PolarHBondContact N-O 2.86Å; L790-S970 VanDerWaalsContact N-O 3.07Å; L790-N971 WeakPolarHBondContact CD1-O 3.48Å; L790-I973 HydrophobicContact CB-CD1 3.8Å; L790-I973 HydrophobicContact CB-CG1 4.17Å; L790-I973 WeakPolarHBondContact O-CD1 3.2Å |
| 791 | R | 89.2 | Confident | 81.9 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.2 | 161.5 | 170.9 | 165.8 | -173.9 | -117.5 | 8.5 | 108.4 | V800 M801 A802 E847 Y849 | R791-V800 HydrophobicContact CG-CG1 4.24Å; R791-M801 CarbonylContact C-O 3.54Å; R791-M801 WeakPolarHBondContact CA-O 3.29Å; R791-A802 HydrophobicContact CB-CB 3.94Å; R791-A802 HydrophobicContact CG-CB 3.88Å; R791-E847 HydrophobicContact CB-CB 4.19Å; R791-E847 WeakPolarHBondContact CD-OE2 3.49Å; R791-E847 VanDerWaalsContact CG-OE2 3.28Å; R791-E847 WeakPolarHBondContact CG-OE2 3.43Å; R791-E847 IonicContact CZ-OE2 2.72Å; R791-E847 PolarHBondContact N-O 3.45Å; R791-E847 IonicContact NE-OE2 2.77Å; R791-E847 IonicContact NH1-OE1 3.74Å; R791-E847 IonicContact NH1-OE2 3.89Å; R791-E847 PolarHBondContact NH1-OE2 3.2Å; R791-E847 PolarHBondContact O-N 2.95Å; R791-Y849 HydrophobicContact CB-CE2 4.11Å |
| 792 | V | 92.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.4 | -174.1 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | V800 M801 L844 Q845 I846 I957 I973 F975 | V792-V800 CarbonylContact O-C 3.48Å; V792-V800 WeakPolarHBondContact O-CA 3.24Å; V792-M801 PolarHBondContact N-O 2.93Å; V792-M801 PolarHBondContact O-N 2.91Å; V792-L844 HydrophobicContact CG1-CB 4.16Å; V792-L844 HydrophobicContact CG1-CD1 4.14Å; V792-L844 HydrophobicContact CG1-CD2 4.25Å; V792-L844 HydrophobicContact CG1-CG 4.43Å; V792-Q845 CarbonylContact C-O 3.59Å; V792-Q845 WeakPolarHBondContact CA-O 3.48Å; V792-I846 HydrophobicContact CG1-CG1 4.44Å; V792-I846 HydrophobicContact CG2-CG1 4.4Å; V792-I846 HydrophobicContact CG2-CG2 4.25Å; V792-I957 HydrophobicContact CB-CD1 4.33Å; V792-I957 HydrophobicContact CG1-CD1 3.69Å; V792-I957 HydrophobicContact CG2-CD1 3.7Å; V792-I973 HydrophobicContact CB-CG2 4.3Å; V792-I973 HydrophobicContact CG2-CB 4.34Å; V792-I973 HydrophobicContact CG2-CD1 4.18Å; V792-I973 HydrophobicContact CG2-CG2 4.37Å; V792-F975 HydrophobicContact CB-CD2 4.46Å; V792-F975 HydrophobicContact CB-CE2 3.78Å; V792-F975 HydrophobicContact CG1-CD2 3.84Å; V792-F975 HydrophobicContact CG1-CE2 3.44Å; V792-F975 VanDerWaalsContact CG1-CE2 3.44Å; V792-F975 HydrophobicContact CG1-CZ 4.12Å |
| 793 | K | 91.8 | Very high | 83.4 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.1 | 179.9 | 175 | -175.8 | 177.6 | -163.1 | 0 | 110.2 | N798 K799 V800 L844 Q845 | K793-N798 WeakPolarHBondContact CE-OD1 3.49Å; K793-N798 PolarHBondContact NZ-OD1 2.83Å; K793-K799 WeakPolarHBondContact CA-O 3.33Å; K793-V800 HydrophobicContact CB-CG2 4.06Å; K793-V800 HydrophobicContact CD-CG2 4.16Å; K793-V800 HydrophobicContact CG-CG2 3.85Å; K793-L844 CarbonylContact O-C 3.59Å; K793-L844 WeakPolarHBondContact O-CA 3.33Å; K793-Q845 HydrophobicContact CB-CB 4.42Å; K793-Q845 PolarHBondContact N-O 2.89Å; K793-Q845 PolarHBondContact O-N 2.65Å |
| 794 | D | 92 | Very high | 83.3 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.1 | 164.8 | -179.3 | -88.3 | 0 | 0 | 0 | 109.9 | Q796 S797 N798 K799 V830 L844 F975 Y977 | D794-Q796 PolarHBondContact OD1-N 3.22Å; D794-S797 WeakPolarHBondContact CB-OG 3.23Å; D794-S797 VanDerWaalsContact CG-OG 3.3Å; D794-S797 VanDerWaalsContact OD1-CB 3.31Å; D794-S797 WeakPolarHBondContact OD1-CB 3.4Å; D794-S797 PolarHBondContact OD1-N 2.84Å; D794-S797 PolarHBondContact OD1-OG 3.32Å; D794-N798 CarbonylContact O-C 3.6Å; D794-N798 WeakPolarHBondContact O-CA 3.19Å; D794-N798 PolarHBondContact O-N 2.92Å; D794-K799 PolarHBondContact N-O 2.93Å; D794-V830 HydrophobicContact CB-CG2 4.36Å; D794-L844 HydrophobicContact CB-CD2 3.71Å; D794-F975 HydrophobicContact CB-CD1 4.21Å; D794-F975 HydrophobicContact CB-CE1 3.7Å; D794-Y977 WeakPolarHBondContact OD2-CE1 3.36Å; D794-Y977 PolarHBondContact OD2-OH 2.96Å |
| 795 | I | 89.1 | Confident | 82.6 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -36.6 | -169.9 | -61.8 | 178.9 | 0 | 0 | 0 | 110.9 | Q843 Q845 I932 | I795-Q843 HydrophobicContact CB-CB 4.41Å; I795-Q843 HydrophobicContact CD1-CB 3.95Å; I795-Q843 HydrophobicContact CG1-CB 4.43Å; I795-Q843 PolarHBondContact N-O 2.85Å; I795-Q845 HydrophobicContact CD1-CB 4.28Å; I795-Q845 HydrophobicContact CG1-CB 4.22Å; I795-I932 HydrophobicContact CD1-CG2 4.18Å |
| 796 | Q | 85.4 | Confident | 81.4 | Confident | 84 Ų | 84 | 51.2 Ų | 51.2 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -46 | -176.2 | -62.9 | -171.6 | -4.6 | 0 | 0 | 112.2 | D794 N838 R841 | D794-Q796 PolarHBondContact OD1-N 3.22Å; Q796-N838 PolarHBondContact NE2-O 3.32Å; Q796-R841 PolarHBondContact NE2-O 3.09Å; Q796-R841 VanDerWaalsContact NE2-O 3.13Å |
| 797 | S | 84.6 | Confident | 79.7 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.4 | 179.6 | 65.3 | 0 | 0 | 0 | 0 | 114.1 | D794 K799 | D794-S797 WeakPolarHBondContact CB-OG 3.23Å; D794-S797 VanDerWaalsContact CG-OG 3.3Å; D794-S797 VanDerWaalsContact OD1-CB 3.31Å; D794-S797 WeakPolarHBondContact OD1-CB 3.4Å; D794-S797 PolarHBondContact OD1-N 2.84Å; D794-S797 PolarHBondContact OD1-OG 3.32Å; S797-K799 PolarHBondContact O-N 3.28Å; S797-K799 VanDerWaalsContact O-N 3.15Å; S797-K799 WeakPolarHBondContact OG-CB 3.46Å; S797-K799 PolarHBondContact OG-N 3.35Å |
| 798 | N | 86.7 | Confident | 77.5 | Confident | 103 Ų | 103 | 61.4 Ų | 61.4 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | trans | 55.8 | 16.4 | -168.9 | -76.5 | -72.7 | 0 | 0 | 0 | 114.9 | K793 D794 V800 | K793-N798 WeakPolarHBondContact CE-OD1 3.49Å; K793-N798 PolarHBondContact NZ-OD1 2.83Å; D794-N798 CarbonylContact O-C 3.6Å; D794-N798 WeakPolarHBondContact O-CA 3.19Å; D794-N798 PolarHBondContact O-N 2.92Å; N798-V800 PolarHBondContact O-N 3.41Å | ||
| 799 | K | 87.2 | Confident | 75.3 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | trans | -75 | 122.6 | -179.6 | -157.1 | -178.7 | -161.6 | -164.9 | 0 | 110.7 | K793 D794 S797 T828 T829 V830 | K793-K799 WeakPolarHBondContact CA-O 3.33Å; D794-K799 PolarHBondContact N-O 2.93Å; S797-K799 PolarHBondContact O-N 3.28Å; S797-K799 VanDerWaalsContact O-N 3.15Å; S797-K799 WeakPolarHBondContact OG-CB 3.46Å; S797-K799 PolarHBondContact OG-N 3.35Å; K799-T828 HydrophobicContact CD-CG2 4.34Å; K799-T828 VanDerWaalsContact CE-OG1 3.24Å; K799-T828 WeakPolarHBondContact CE-OG1 3.35Å; K799-T828 PolarHBondContact NZ-OG1 3.49Å; K799-T829 PolarHBondContact NZ-O 3.39Å; K799-V830 HydrophobicContact CB-CG2 4.37Å; K799-V830 HydrophobicContact CD-CG2 3.97Å | ||
| 800 | V | 85.6 | Confident | 72.9 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140 | -178.4 | -175 | 0 | 0 | 0 | 0 | 110.7 | R791 V792 K793 N798 | R791-V800 HydrophobicContact CG-CG1 4.24Å; V792-V800 CarbonylContact O-C 3.48Å; V792-V800 WeakPolarHBondContact O-CA 3.24Å; K793-V800 HydrophobicContact CB-CG2 4.06Å; K793-V800 HydrophobicContact CD-CG2 4.16Å; K793-V800 HydrophobicContact CG-CG2 3.85Å; N798-V800 PolarHBondContact O-N 3.41Å |
| 801 | M | 83.3 | Confident | 70.2 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 14% | 0.143 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130 | 168.6 | -67.2 | -63.4 | -68.7 | 0 | 0 | 109.3 | R791 V792 L826 T828 I973 F975 | R791-M801 CarbonylContact C-O 3.54Å; R791-M801 WeakPolarHBondContact CA-O 3.29Å; V792-M801 PolarHBondContact N-O 2.93Å; V792-M801 PolarHBondContact O-N 2.91Å; M801-L826 HydrophobicContact CE-CB 3.84Å; M801-L826 HydrophobicContact CE-CD2 3.66Å; M801-L826 HydrophobicContact CE-CG 4.22Å; M801-T828 HydrophobicContact CG-CG2 3.55Å; M801-T828 VanDerWaalsContact SD-CB 3.54Å; M801-T828 HydrophobicContact SD-CG2 4.11Å; M801-I973 HydrophobicContact CB-CD1 4.28Å; M801-I973 HydrophobicContact CB-CG2 3.83Å; M801-I973 HydrophobicContact CG-CG2 4.45Å; M801-F975 HydrophobicContact CB-CE2 3.93Å; M801-F975 HydrophobicContact CB-CZ 4.22Å; M801-F975 HydrophobicContact CG-CE2 3.76Å; M801-F975 HydrophobicContact CG-CZ 3.79Å |
| 802 | A | 79.4 | Confident | 67.4 | Low | 40 Ų | 40 | 86.7 Ų | 86.7 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R791 | R791-A802 HydrophobicContact CB-CB 3.94Å; R791-A802 HydrophobicContact CG-CB 3.88Å |
| 803 | F | 70.6 | Confident | 64.6 | Low | 49 Ų | 49 | 91.8 Ų | 91.8 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | trans | -77.5 | 130.6 | 164 | -80.6 | -102.4 | 0 | 0 | 0 | 109.8 | V789 Y805 Y824 L826 I969 | V789-F803 HydrophobicContact CG1-CB 4.19Å; F803-Y805 PolarHBondContact O-N 3.45Å; F803-Y805 VanDerWaalsContact O-N 3.07Å; F803-Y824 HydrophobicContact CE1-CE1 4.03Å; F803-Y824 HydrophobicContact CZ-CD1 4.33Å; F803-Y824 HydrophobicContact CZ-CE1 4.17Å; F803-L826 HydrophobicContact CD1-CD1 4.43Å; F803-L826 HydrophobicContact CE1-CD1 3.67Å; F803-L826 HydrophobicContact CE2-CD1 3.75Å; F803-L826 HydrophobicContact CZ-CD1 3.29Å; F803-I969 HydrophobicContact CE1-CG2 3.89Å; F803-I969 WeakPolarHBondContact CE2-O 3.44Å; F803-I969 HydrophobicContact CZ-CG2 3.91Å; F803-I969 WeakPolarHBondContact CZ-O 3.4Å | ||
| 804 | Q | 60.9 | Low | 61.9 | Low | 159 Ų | 159 | 93.7 Ų | 93.7 | 74% | 0.743 | 48% | 0.478 | S | S | * | . | trans | -75 | 97.2 | 176.9 | -161.6 | 95.4 | 1.7 | 0 | 0 | 109 | I806 | Q804-I806 PolarHBondContact O-N 3.2Š| ||
| 805 | Y | 52.9 | Low | 59.2 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | trans | -72.4 | 113.6 | 178.2 | -161.8 | -97 | 0 | 0 | 0 | 110.1 | D787 V789 F803 Y851 | D787-Y805 PolarHBondContact OD2-OH 2.97Å; V789-Y805 HydrophobicContact CG2-CD2 4.33Å; F803-Y805 PolarHBondContact O-N 3.45Å; F803-Y805 VanDerWaalsContact O-N 3.07Å; Y805-Y851 AromaticContact CD2-CD2 3.72Å; Y805-Y851 HydrophobicContact CD2-CD2 3.72Å; Y805-Y851 HydrophobicContact CD2-CE2 4.02Å; Y805-Y851 HydrophobicContact CD2-CG 4.47Å; Y805-Y851 HydrophobicContact CE1-CD2 4.49Å; Y805-Y851 HydrophobicContact CE1-CG 4.36Å; Y805-Y851 AromaticContact CE2-CD2 3.71Å; Y805-Y851 HydrophobicContact CE2-CD2 3.71Å; Y805-Y851 HydrophobicContact CE2-CE2 4.45Å; Y805-Y851 HydrophobicContact CE2-CG 4.13Å; Y805-Y851 HydrophobicContact CG-CD2 4.14Å; Y805-Y851 HydrophobicContact CG-CE2 4.11Å | ||
| 806 | I | 48.1 | Very low | 56.8 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 35% | 0.354 | 52% | 0.523 | S | S | . | . | trans | -102.7 | 107.5 | -178.5 | -61.4 | 173.8 | 0 | 0 | 0 | 108.4 | Q804 D808 K811 | Q804-I806 PolarHBondContact O-N 3.2Å; I806-D808 HydrophobicContact CG2-CB 3.91Å; I806-D808 PolarHBondContact O-N 2.58Å; I806-K811 WeakPolarHBondContact CD1-O 3.34Å; I806-K811 HydrophobicContact CG2-CB 4.1Å | ||
| 807 | H | 45.1 | Very low | 54.7 | Low | 152 Ų | 152 | 104.6 Ų | 104.6 | 70% | 0.704 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -60.9 | -23.7 | 177.5 | -93.7 | -87.2 | 0 | 0 | 0 | 113.7 | K809 | H807-K809 PolarHBondContact O-N 2.83Š|
| 808 | D | 38.5 | Very low | 52.5 | Low | 84 Ų | 84 | 112.1 Ų | 112.1 | 45% | 0.449 | 57% | 0.566 | S | S | . | * | trans | -74.4 | 108.1 | 171.3 | -91.8 | -18.4 | 0 | 0 | 0 | 111.1 | I806 Q810 K811 | I806-D808 HydrophobicContact CG2-CB 3.91Å; I806-D808 PolarHBondContact O-N 2.58Å; D808-Q810 PolarHBondContact O-N 3.3Å; D808-K811 HydrophobicContact CB-CB 4.28Å; D808-K811 HydrophobicContact CB-CG 4.45Å; D808-K811 PolarHBondContact O-N 3.1Å; D808-K811 IonicContact OD2-NZ 2.77Å; D808-K811 PolarHBondContact OD2-NZ 2.83Å | ||
| 809 | K | 42.3 | Very low | 50.5 | Low | 217 Ų | 217 | 111.6 Ų | 111.6 | 94% | 0.943 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 4.4 | 167 | -77.2 | -176.8 | 174.9 | 176.2 | 0 | 115.3 | H807 | H807-K809 PolarHBondContact O-N 2.83Š|
| 810 | Q | 35.7 | Very low | 48.5 | Very low | 186 Ų | 186 | 112.9 Ų | 112.9 | 87% | 0.869 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 4 | -174.5 | -67.3 | -171.1 | -18.3 | 0 | 0 | 114.5 | D808 | D808-Q810 PolarHBondContact O-N 3.3Š|
| 811 | K | 32.9 | Very low | 46.7 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -121 | 88.3 | 175.6 | -73.7 | -179 | -170 | 130.1 | 0 | 111.7 | I806 D808 I813 | I806-K811 WeakPolarHBondContact CD1-O 3.34Å; I806-K811 HydrophobicContact CG2-CB 4.1Å; D808-K811 HydrophobicContact CB-CB 4.28Å; D808-K811 HydrophobicContact CB-CG 4.45Å; D808-K811 PolarHBondContact O-N 3.1Å; D808-K811 IonicContact OD2-NZ 2.77Å; D808-K811 PolarHBondContact OD2-NZ 2.83Å; K811-I813 PolarHBondContact O-N 3.04Å | ||
| 812 | S | 31.4 | Very low | 45.3 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 61% | 0.61 | S | S | * | * | trans | -61.8 | 125.7 | 164.1 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | S814 | S812-S814 PolarHBondContact O-N 3.23Š| ||
| 813 | I | 32.3 | Very low | 44.1 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 55% | 0.554 | 63% | 0.625 | S | S | * | * | trans | 25.9 | 90.5 | 150.6 | -49.4 | 169.9 | 0 | 0 | 0 | 114.4 | K811 I822 | K811-I813 PolarHBondContact O-N 3.04Å; I813-I822 HydrophobicContact CD1-CD1 4.21Å | ||
| 814 | S | 35.1 | Very low | 43.6 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | trans | -122 | 15.6 | -178.6 | 75 | 0 | 0 | 0 | 0 | 115.3 | S812 | S812-S814 PolarHBondContact O-N 3.23Š| ||
| 815 | I | 36.5 | Very low | 44 | Very low | 145 Ų | 145 | 121.3 Ų | 121.3 | 74% | 0.744 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -137.9 | 25.9 | 177.7 | -32.3 | 179.3 | 0 | 0 | 0 | 112.9 | ||
| 816 | L | 38 | Very low | 45.2 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -112.8 | 135.8 | 151.5 | -95.7 | 81.2 | 0 | 0 | 0 | 107.4 | Q818 | L816-Q818 PolarHBondContact O-N 2.82Š|
| 817 | N | 41.1 | Very low | 46.9 | Very low | 129 Ų | 129 | 118 Ų | 118 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | trans | -57.4 | 135.2 | -178.7 | -70.8 | -33.3 | 0 | 0 | 0 | 109.8 | S819 D820 | N817-S819 PolarHBondContact O-N 3.37Å; N817-D820 PolarHBondContact O-N 3.49Å | ||
| 818 | Q | 39.8 | Very low | 48.9 | Very low | 213 Ų | 213 | 111.3 Ų | 111.3 | 100% | 0.995 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 9.2 | -171.1 | -105.9 | 177.3 | -17.3 | 0 | 0 | 115.8 | L816 | L816-Q818 PolarHBondContact O-N 2.82Š|
| 819 | S | 44.5 | Very low | 51.2 | Low | 93 Ų | 93 | 110.6 Ų | 110.6 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -18.5 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | N817 | N817-S819 PolarHBondContact O-N 3.37Š|
| 820 | D | 43.9 | Very low | 53.5 | Low | 103 Ų | 103 | 100.7 Ų | 100.7 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | trans | -95 | 112.6 | -167.9 | -61.8 | -7.6 | 0 | 0 | 0 | 110.1 | N817 I822 | N817-D820 PolarHBondContact O-N 3.49Å; D820-I822 PolarHBondContact O-N 2.85Å | ||
| 821 | I | 48.8 | Very low | 55.9 | Low | 160 Ų | 160 | 95.4 Ų | 95.4 | 82% | 0.821 | 51% | 0.51 | S | S | * | . | trans | -60.1 | 110.6 | 169.5 | -60.2 | 170.7 | 0 | 0 | 0 | 106.9 | Q823 | I821-Q823 PolarHBondContact O-N 2.88Š| ||
| 822 | I | 52.5 | Low | 58.5 | Low | 58 Ų | 58 | 89.5 Ų | 89.5 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | trans | -64.8 | 100.3 | 178.9 | -53.9 | 175.4 | 0 | 0 | 0 | 108.1 | I813 D820 Y824 L826 | I813-I822 HydrophobicContact CD1-CD1 4.21Å; D820-I822 PolarHBondContact O-N 2.85Å; I822-Y824 HydrophobicContact CB-CE2 4.38Å; I822-Y824 HydrophobicContact CG2-CD1 4.08Å; I822-Y824 HydrophobicContact CG2-CE1 3.5Å; I822-Y824 HydrophobicContact CG2-CE2 4.05Å; I822-L826 HydrophobicContact CG2-CD1 4.39Å | ||
| 823 | Q | 54.7 | Low | 61.1 | Low | 139 Ų | 139 | 86.7 Ų | 86.7 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | trans | -72.1 | 128 | 168.5 | -75.3 | -170.3 | -24.1 | 0 | 0 | 108.9 | I821 P825 | I821-Q823 PolarHBondContact O-N 2.88Å; Q823-P825 CarbonylContact O-C 3.56Å; Q823-P825 VanDerWaalsContact O-O 3.13Å | ||
| 824 | Y | 61.7 | Low | 63.6 | Low | 121 Ų | 121 | 83.3 Ų | 83.3 | 48% | 0.475 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -105 | 138.6 | 172 | -64.3 | -64.6 | 0 | 0 | 0 | 109.6 | F803 I822 L826 I969 | F803-Y824 HydrophobicContact CE1-CE1 4.03Å; F803-Y824 HydrophobicContact CZ-CD1 4.33Å; F803-Y824 HydrophobicContact CZ-CE1 4.17Å; I822-Y824 HydrophobicContact CB-CE2 4.38Å; I822-Y824 HydrophobicContact CG2-CD1 4.08Å; I822-Y824 HydrophobicContact CG2-CE1 3.5Å; I822-Y824 HydrophobicContact CG2-CE2 4.05Å; Y824-L826 HydrophobicContact CD1-CD1 4.16Å; Y824-L826 HydrophobicContact CE1-CD1 4.03Å; Y824-I969 HydrophobicContact CD1-CG2 3.28Å; Y824-I969 HydrophobicContact CD2-CG2 4.34Å; Y824-I969 HydrophobicContact CE1-CG2 3.21Å; Y824-I969 HydrophobicContact CE2-CG2 4.28Å; Y824-I969 HydrophobicContact CG-CG2 3.86Å |
| 825 | P | 69.3 | Low | 65.6 | Low | 40 Ų | 40 | 79 Ų | 79 | 26% | 0.26 | 41% | 0.411 | S | S | . | . | S | Bend | cis | -67.2 | 159.9 | -4.7 | 31.4 | -37.3 | 0 | 0 | 0 | 112.4 | Q823 T827 T956 S972 R974 | Q823-P825 CarbonylContact O-C 3.56Å; Q823-P825 VanDerWaalsContact O-O 3.13Å; P825-T827 WeakPolarHBondContact O-CG2 3.41Å; P825-T827 PolarHBondContact O-N 2.86Å; P825-T827 VanDerWaalsContact O-N 3.09Å; P825-T956 HydrophobicContact CG-CG2 4.19Å; P825-S972 WeakPolarHBondContact CB-O 3.2Å; P825-S972 WeakPolarHBondContact CB-OG 3.33Å; P825-R974 HydrophobicContact CG-CB 4.1Å |
| 826 | L | 78.1 | Confident | 67.8 | Low | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 117.6 | 179.4 | -104.8 | 89.5 | 0 | 0 | 0 | 110.2 | M801 F803 I822 Y824 R974 | M801-L826 HydrophobicContact CE-CB 3.84Å; M801-L826 HydrophobicContact CE-CD2 3.66Å; M801-L826 HydrophobicContact CE-CG 4.22Å; F803-L826 HydrophobicContact CD1-CD1 4.43Å; F803-L826 HydrophobicContact CE1-CD1 3.67Å; F803-L826 HydrophobicContact CE2-CD1 3.75Å; F803-L826 HydrophobicContact CZ-CD1 3.29Å; I822-L826 HydrophobicContact CG2-CD1 4.39Å; Y824-L826 HydrophobicContact CD1-CD1 4.16Å; Y824-L826 HydrophobicContact CE1-CD1 4.03Å; L826-R974 PolarHBondContact O-N 2.83Å |
| 827 | T | 82.6 | Confident | 69.8 | Low | 62 Ų | 62 | 77.7 Ų | 77.7 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142.4 | -177.3 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | P825 R974 | P825-T827 WeakPolarHBondContact O-CG2 3.41Å; P825-T827 PolarHBondContact O-N 2.86Å; P825-T827 VanDerWaalsContact O-N 3.09Å; T827-R974 CarbonylContact C-O 3.55Å; T827-R974 WeakPolarHBondContact CA-O 3.46Å; T827-R974 HydrophobicContact CG2-CB 4.26Å; T827-R974 HydrophobicContact CG2-CG 4.5Å |
| 828 | T | 87 | Confident | 71.7 | Confident | 13 Ų | 13 | 77.2 Ų | 77.2 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 148.9 | 169.2 | -151.9 | 0 | 0 | 0 | 0 | 111.6 | K799 M801 R974 F975 N976 | K799-T828 HydrophobicContact CD-CG2 4.34Å; K799-T828 VanDerWaalsContact CE-OG1 3.24Å; K799-T828 WeakPolarHBondContact CE-OG1 3.35Å; K799-T828 PolarHBondContact NZ-OG1 3.49Å; M801-T828 HydrophobicContact CG-CG2 3.55Å; M801-T828 VanDerWaalsContact SD-CB 3.54Å; M801-T828 HydrophobicContact SD-CG2 4.11Å; T828-R974 PolarHBondContact N-O 2.93Å; T828-F975 HydrophobicContact CG2-CD1 3.52Å; T828-F975 HydrophobicContact CG2-CD2 3.99Å; T828-F975 HydrophobicContact CG2-CE1 3.44Å; T828-F975 VanDerWaalsContact CG2-CE1 3.44Å; T828-F975 HydrophobicContact CG2-CE2 3.9Å; T828-F975 HydrophobicContact CG2-CG 3.8Å; T828-F975 HydrophobicContact CG2-CZ 3.65Å; T828-N976 PolarHBondContact O-N 2.03Å |
| 829 | T | 87.6 | Confident | 73.7 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.3 | 175.3 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | K799 N976 | K799-T829 PolarHBondContact NZ-O 3.39Å; T829-N976 CarbonylContact C-O 3.59Å; T829-N976 VanDerWaalsContact CA-O 3.28Å; T829-N976 WeakPolarHBondContact CA-O 3.49Å; T829-N976 HydrophobicContact CG2-CB 4.11Å |
| 830 | V | 89.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.6 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 109 | D794 K799 F975 N976 Y977 Q978 | D794-V830 HydrophobicContact CB-CG2 4.36Å; K799-V830 HydrophobicContact CB-CG2 4.37Å; K799-V830 HydrophobicContact CD-CG2 3.97Å; V830-F975 HydrophobicContact CG2-CD1 3.94Å; V830-F975 HydrophobicContact CG2-CE1 4.08Å; V830-N976 PolarHBondContact N-O 2.81Å; V830-Y977 HydrophobicContact CB-CD1 3.73Å; V830-Y977 HydrophobicContact CB-CE1 3.74Å; V830-Y977 HydrophobicContact CG1-CD1 4.01Å; V830-Y977 HydrophobicContact CG1-CE1 3.85Å; V830-Y977 HydrophobicContact CG2-CE1 4.35Å; V830-Y977 WeakPolarHBondContact O-CA 3.45Å; V830-Q978 PolarHBondContact O-N 3.22Å |
| 831 | D | 87.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.8 | -179.1 | -68.9 | -4.9 | 0 | 0 | 0 | 110.8 | Q978 I980 | D831-Q978 WeakPolarHBondContact OD1-CG 3.38Å; D831-Q978 PolarHBondContact OD1-NE2 2.92Å; D831-I980 HydrophobicContact CB-CD1 3.73Å; D831-I980 HydrophobicContact CB-CG1 4.1Å; D831-I980 HydrophobicContact CB-CG2 4.28Å |
| 832 | L | 86.3 | Confident | 79.7 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.3 | 171.3 | -59.9 | -176.5 | 0 | 0 | 0 | 110.3 | Y834 P842 Y937 Y977 Q978 V979 I980 | L832-Y834 PolarHBondContact O-N 2.77Å; L832-P842 HydrophobicContact CD1-CG 4.3Å; L832-P842 HydrophobicContact CD2-CB 4.38Å; L832-P842 HydrophobicContact CD2-CG 4.45Å; L832-Y937 HydrophobicContact CD1-CD2 4.17Å; L832-Y977 HydrophobicContact CD1-CD1 3.88Å; L832-Y977 HydrophobicContact CD1-CG 3.96Å; L832-Y977 HydrophobicContact CD2-CD1 3.66Å; L832-Y977 HydrophobicContact CD2-CE1 4.13Å; L832-Y977 HydrophobicContact CG-CD1 3.73Å; L832-Y977 HydrophobicContact CG-CG 4.23Å; L832-Q978 PolarHBondContact N-O 2.89Å; L832-V979 HydrophobicContact CB-CG2 4.45Å; L832-V979 WeakPolarHBondContact O-CA 3.15Å; L832-I980 WeakPolarHBondContact O-CG1 3.4Å; L832-I980 PolarHBondContact O-N 2.83Å |
| 833 | E | 86 | Confident | 81.7 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117 | -178.2 | -179.4 | 169.7 | -111.6 | 0 | 0 | 111.4 | G835 N836 F940 R982 P1035 | E833-G835 PolarHBondContact O-N 3.32Å; E833-N836 HydrophobicContact CB-CB 3.95Å; E833-N836 HydrophobicContact CG-CB 4.03Å; E833-N836 WeakPolarHBondContact O-CB 3.49Å; E833-N836 PolarHBondContact O-N 2.78Å; E833-N836 PolarHBondContact OE2-ND2 3.14Å; E833-F940 WeakPolarHBondContact O-CZ 3.04Å; E833-R982 HydrophobicContact CG-CB 4.15Å; E833-R982 WeakPolarHBondContact OE1-CB 3.28Å; E833-P1035 HydrophobicContact CG-CB 4.37Å; E833-P1035 HydrophobicContact CG-CG 3.95Å |
| 834 | Y | 85.3 | Confident | 83.5 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 128.4 | -179.4 | 174.6 | -108 | 0 | 0 | 0 | 112.1 | L832 N836 F949 V979 I980 H981 P1035 P1273 V1276 | L832-Y834 PolarHBondContact O-N 2.77Å; Y834-N836 VanDerWaalsContact C-N 3.27Å; Y834-N836 PolarHBondContact O-N 2.65Å; Y834-F949 HydrophobicContact CD2-CE2 4.43Å; Y834-F949 HydrophobicContact CD2-CZ 4Å; Y834-F949 HydrophobicContact CE2-CE2 4.11Å; Y834-F949 AromaticContact CE2-CZ 3.86Å; Y834-F949 HydrophobicContact CE2-CZ 3.86Å; Y834-V979 HydrophobicContact CD2-CG1 4.24Å; Y834-I980 WeakPolarHBondContact CB-O 3.34Å; Y834-I980 PolarHBondContact N-O 2.96Å; Y834-H981 AromaticContact CD1-CD2 3.91Å; Y834-P1035 WeakPolarHBondContact O-CB 3.25Å; Y834-P1035 WeakPolarHBondContact O-CG 3.26Å; Y834-P1273 HydrophobicContact CD2-CG 4.48Å; Y834-P1273 HydrophobicContact CE1-CG 4.15Å; Y834-P1273 HydrophobicContact CE2-CG 3.78Å; Y834-V1276 HydrophobicContact CD2-CG2 4.26Å |
| 835 | G | 77.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E833 M941 P1035 | E833-G835 PolarHBondContact O-N 3.32Å; G835-M941 VanDerWaalsContact O-CE 3.22Å; G835-M941 WeakPolarHBondContact O-CE 3.47Å; G835-P1035 CarbonylContact O-C 3.6Å |
| 836 | N | 82.8 | Confident | 86.3 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | trans | -83.7 | 118.4 | 176.3 | -174 | -26.5 | 0 | 0 | 0 | 110 | E833 Y834 N838 S839 S840 P1035 | E833-N836 HydrophobicContact CB-CB 3.95Å; E833-N836 HydrophobicContact CG-CB 4.03Å; E833-N836 WeakPolarHBondContact O-CB 3.49Å; E833-N836 PolarHBondContact O-N 2.78Å; E833-N836 PolarHBondContact OE2-ND2 3.14Å; Y834-N836 VanDerWaalsContact C-N 3.27Å; Y834-N836 PolarHBondContact O-N 2.65Å; N836-N838 PolarHBondContact O-N 3.24Å; N836-N838 PolarHBondContact OD1-N 3.27Å; N836-S839 PolarHBondContact O-N 2.97Å; N836-S839 VanDerWaalsContact O-N 3.16Å; N836-S840 PolarHBondContact O-N 3Å; N836-P1035 HydrophobicContact CB-CB 3.93Å | ||
| 837 | R | 79.1 | Confident | 86.9 | Confident | 178 Ų | 178 | 46.2 Ų | 46.2 | 67% | 0.672 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.4 | -177.6 | -76.3 | -173.5 | 178.7 | -168.3 | 0.8 | 113.8 | S840 M941 | R837-S840 PolarHBondContact O-OG 2.79Å; R837-M941 HydrophobicContact CB-CE 4.22Å; R837-M941 HydrophobicContact CG-CE 3.63Å; R837-M941 HydrophobicContact CG-SD 3.61Å |
| 838 | N | 81.1 | Confident | 87.3 | Confident | 119 Ų | 119 | 43.2 Ų | 43.2 | 64% | 0.636 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -36.3 | 176.7 | -63.3 | -7.8 | 0 | 0 | 0 | 110.5 | Q796 N836 S840 R841 | Q796-N838 PolarHBondContact NE2-O 3.32Å; N836-N838 PolarHBondContact O-N 3.24Å; N836-N838 PolarHBondContact OD1-N 3.27Å; N838-S840 VanDerWaalsContact C-N 3.27Å; N838-S840 PolarHBondContact O-N 2.91Å; N838-R841 PolarHBondContact O-N 2.75Å |
| 839 | S | 82.3 | Confident | 87.4 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.3 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 114 | N836 R841 | N836-S839 PolarHBondContact O-N 2.97Å; N836-S839 VanDerWaalsContact O-N 3.16Å; S839-R841 PolarHBondContact O-N 2.78Å |
| 840 | S | 84 | Confident | 87.4 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -6.2 | 174.6 | 74.4 | 0 | 0 | 0 | 0 | 114 | N836 R837 N838 Y936 Y937 | N836-S840 PolarHBondContact O-N 3Å; R837-S840 PolarHBondContact O-OG 2.79Å; N838-S840 VanDerWaalsContact C-N 3.27Å; N838-S840 PolarHBondContact O-N 2.91Å; S840-Y936 CarbonylContact O-C 3.47Å; S840-Y936 WeakPolarHBondContact O-CA 3.02Å; S840-Y937 PolarHBondContact O-N 2.67Å |
| 841 | R | 89.2 | Confident | 87 | Confident | 167 Ų | 167 | 42.1 Ų | 42.1 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -130.5 | 68.1 | 179.5 | -67.1 | -177.6 | 173.8 | -174.1 | -3.4 | 111.8 | Q796 N838 S839 T935 | Q796-R841 PolarHBondContact NE2-O 3.09Å; Q796-R841 VanDerWaalsContact NE2-O 3.13Å; N838-R841 PolarHBondContact O-N 2.75Å; S839-R841 PolarHBondContact O-N 2.78Å; R841-T935 VanDerWaalsContact CA-O 3.3Å; R841-T935 WeakPolarHBondContact CA-O 3.4Å |
| 842 | P | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -67.9 | 146.6 | 176.7 | 24.1 | -24.4 | 0 | 0 | 0 | 110.9 | L832 L869 T935 Y977 | L832-P842 HydrophobicContact CD1-CG 4.3Å; L832-P842 HydrophobicContact CD2-CB 4.38Å; L832-P842 HydrophobicContact CD2-CG 4.45Å; P842-L869 HydrophobicContact CG-CD1 4.08Å; P842-T935 WeakPolarHBondContact CG-OG1 3.39Å; P842-T935 PolarHBondContact O-N 2.93Å; P842-T935 VanDerWaalsContact O-N 3.13Å; P842-T935 PolarHBondContact O-OG1 2.69Å; P842-Y977 HydrophobicContact CB-CD1 4.37Å; P842-Y977 HydrophobicContact CB-CE1 3.62Å; P842-Y977 HydrophobicContact CB-CE2 4.35Å; P842-Y977 HydrophobicContact CG-CD1 4.36Å; P842-Y977 HydrophobicContact CG-CD2 4.5Å; P842-Y977 HydrophobicContact CG-CE1 4Å; P842-Y977 HydrophobicContact CG-CE2 4.16Å | ||
| 843 | Q | 92.8 | Very high | 85.7 | Confident | 71 Ų | 71 | 42.2 Ų | 42.2 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.4 | -178 | -62.8 | -178 | -61 | 0 | 0 | 110 | I795 L933 S934 | I795-Q843 HydrophobicContact CB-CB 4.41Å; I795-Q843 HydrophobicContact CD1-CB 3.95Å; I795-Q843 HydrophobicContact CG1-CB 4.43Å; I795-Q843 PolarHBondContact N-O 2.85Å; Q843-L933 WeakPolarHBondContact CA-O 3.44Å; Q843-S934 PolarHBondContact NE2-OG 3.44Å |
| 844 | L | 94.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.2 | 177.9 | -64.1 | -178.5 | 0 | 0 | 0 | 110.1 | V792 K793 D794 I846 L933 V955 I957 F975 Y977 | V792-L844 HydrophobicContact CG1-CB 4.16Å; V792-L844 HydrophobicContact CG1-CD1 4.14Å; V792-L844 HydrophobicContact CG1-CD2 4.25Å; V792-L844 HydrophobicContact CG1-CG 4.43Å; K793-L844 CarbonylContact O-C 3.59Å; K793-L844 WeakPolarHBondContact O-CA 3.33Å; D794-L844 HydrophobicContact CB-CD2 3.71Å; L844-I846 HydrophobicContact CB-CG1 4.48Å; L844-L933 HydrophobicContact CB-CB 4.39Å; L844-L933 PolarHBondContact N-O 2.91Å; L844-L933 PolarHBondContact O-N 2.82Å; L844-V955 HydrophobicContact CD1-CG1 3.44Å; L844-V955 VanDerWaalsContact CD1-CG1 3.44Å; L844-I957 HydrophobicContact CD1-CD1 3.96Å; L844-F975 HydrophobicContact CD1-CB 4.12Å; L844-F975 HydrophobicContact CD1-CD2 4.37Å; L844-F975 HydrophobicContact CD1-CG 4.17Å; L844-F975 HydrophobicContact CD2-CD1 3.78Å; L844-F975 HydrophobicContact CD2-CD2 4.41Å; L844-F975 HydrophobicContact CD2-CE1 4.02Å; L844-F975 HydrophobicContact CD2-CG 3.99Å; L844-F975 HydrophobicContact CD2-CZ 4.44Å; L844-Y977 WeakPolarHBondContact CD2-OH 3.49Å |
| 845 | Q | 93.6 | Very high | 84.9 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.8 | 164.2 | -169 | 176.7 | 22.2 | 0 | 0 | 108.4 | V792 K793 I795 E877 F931 | V792-Q845 CarbonylContact C-O 3.59Å; V792-Q845 WeakPolarHBondContact CA-O 3.48Å; K793-Q845 HydrophobicContact CB-CB 4.42Å; K793-Q845 PolarHBondContact N-O 2.89Å; K793-Q845 PolarHBondContact O-N 2.65Å; I795-Q845 HydrophobicContact CD1-CB 4.28Å; I795-Q845 HydrophobicContact CG1-CB 4.22Å; Q845-E877 PolarHBondContact NE2-OE2 3.43Å; Q845-F931 CarbonylContact C-O 3.54Å; Q845-F931 WeakPolarHBondContact CA-O 3.2Å |
| 846 | I | 94.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.6 | -176.8 | -53.6 | 175.5 | 0 | 0 | 0 | 107.8 | L790 V792 L844 I848 M861 L863 R930 F931 L933 I957 | L790-I846 HydrophobicContact CD2-CG2 3.92Å; V792-I846 HydrophobicContact CG1-CG1 4.44Å; V792-I846 HydrophobicContact CG2-CG1 4.4Å; V792-I846 HydrophobicContact CG2-CG2 4.25Å; L844-I846 HydrophobicContact CB-CG1 4.48Å; I846-I848 HydrophobicContact CG2-CG1 4.31Å; I846-M861 HydrophobicContact CD1-SD 3.9Å; I846-M861 HydrophobicContact CG2-SD 4.47Å; I846-L863 HydrophobicContact CD1-CD2 4.24Å; I846-R930 CarbonylContact O-C 3.51Å; I846-R930 WeakPolarHBondContact O-CA 3.41Å; I846-F931 HydrophobicContact CB-CB 4.29Å; I846-F931 PolarHBondContact N-O 2.88Å; I846-F931 PolarHBondContact O-N 2.88Å; I846-L933 HydrophobicContact CD1-CB 3.89Å; I846-L933 HydrophobicContact CD1-CD2 4.15Å; I846-I957 HydrophobicContact CD1-CD1 3.7Å; I846-I957 HydrophobicContact CD1-CG1 4.14Å; I846-I957 HydrophobicContact CD1-CG2 4.23Å; I846-I957 HydrophobicContact CG1-CD1 3.95Å; I846-I957 HydrophobicContact CG2-CG2 4.32Å |
| 847 | E | 91.3 | Very high | 84.6 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128 | 176 | -62.8 | 178.6 | 138.3 | 0 | 0 | 109 | R791 Y849 P927 R930 | R791-E847 HydrophobicContact CB-CB 4.19Å; R791-E847 WeakPolarHBondContact CD-OE2 3.49Å; R791-E847 VanDerWaalsContact CG-OE2 3.28Å; R791-E847 WeakPolarHBondContact CG-OE2 3.43Å; R791-E847 IonicContact CZ-OE2 2.72Å; R791-E847 PolarHBondContact N-O 3.45Å; R791-E847 IonicContact NE-OE2 2.77Å; R791-E847 IonicContact NH1-OE1 3.74Å; R791-E847 IonicContact NH1-OE2 3.89Å; R791-E847 PolarHBondContact NH1-OE2 3.2Å; R791-E847 PolarHBondContact O-N 2.95Å; E847-Y849 HydrophobicContact CB-CE2 3.83Å; E847-P927 HydrophobicContact CB-CB 3.96Å; E847-P927 HydrophobicContact CB-CG 4.37Å; E847-P927 HydrophobicContact CG-CB 4.48Å; E847-P927 HydrophobicContact CG-CG 4.35Å; E847-R930 HydrophobicContact CG-CG 4.46Å; E847-R930 IonicContact OE1-CZ 3.57Å; E847-R930 IonicContact OE1-NH1 2.72Å; E847-R930 PolarHBondContact OE1-NH1 2.85Å; E847-R930 IonicContact OE1-NH2 2.66Å |
| 848 | I | 91.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130 | -179.1 | -42 | -178.5 | 0 | 0 | 0 | 110 | V788 L790 I846 M861 I908 L911 N928 Q929 F931 V959 | V788-I848 HydrophobicContact CG1-CG2 3.83Å; L790-I848 HydrophobicContact CD2-CG1 3.97Å; I846-I848 HydrophobicContact CG2-CG1 4.31Å; I848-M861 HydrophobicContact CD1-CE 4.05Å; I848-I908 HydrophobicContact CD1-CD1 3.55Å; I848-L911 HydrophobicContact CB-CD1 4.17Å; I848-L911 HydrophobicContact CG2-CD1 3.54Å; I848-N928 PolarHBondContact O-N 2.87Å; I848-Q929 PolarHBondContact N-O 2.98Å; I848-Q929 PolarHBondContact O-N 2.77Å; I848-F931 HydrophobicContact CD1-CD2 4.03Å; I848-F931 HydrophobicContact CD1-CE2 3.53Å; I848-F931 HydrophobicContact CD1-CZ 4.48Å; I848-F931 HydrophobicContact CG1-CD2 4.35Å; I848-F931 HydrophobicContact CG1-CE2 4.17Å; I848-V959 HydrophobicContact CD1-CG2 4.07Å; I848-V959 HydrophobicContact CG2-CG1 4.49Å |
| 849 | Y | 88.4 | Confident | 84.6 | Confident | 16 Ų | 16 | 26.9 Ų | 26.9 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 149 | 178.6 | -61.8 | -96.1 | 0 | 0 | 0 | 110.3 | V788 V789 R791 E847 Y851 I925 P927 | V788-Y849 CarbonylContact C-O 3.44Å; V788-Y849 VanDerWaalsContact CA-O 3.23Å; V788-Y849 WeakPolarHBondContact CA-O 3.42Å; V788-Y849 WeakPolarHBondContact CG1-O 3.49Å; V789-Y849 PolarHBondContact N-O 3.38Å; V789-Y849 PolarHBondContact O-N 3.03Å; R791-Y849 HydrophobicContact CB-CE2 4.11Å; E847-Y849 HydrophobicContact CB-CE2 3.83Å; Y849-Y851 HydrophobicContact CD1-CE1 4.22Å; Y849-Y851 AromaticContact CD1-CZ 3.91Å; Y849-Y851 WeakPolarHBondContact CD1-OH 3.44Å; Y849-Y851 HydrophobicContact CG-CE2 4.38Å; Y849-Y851 AromaticContact CG-CZ 3.97Å; Y849-I925 HydrophobicContact CD1-CG2 4.36Å; Y849-I925 WeakPolarHBondContact CE1-O 3.47Å; Y849-P927 HydrophobicContact CD1-CB 4.3Å; Y849-P927 HydrophobicContact CD2-CB 4.41Å; Y849-P927 HydrophobicContact CE1-CB 3.82Å; Y849-P927 VanDerWaalsContact CE1-N 3.29Å; Y849-P927 HydrophobicContact CE2-CB 3.93Å |
| 850 | N | 87.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 104 | 164.3 | 172.2 | 41.7 | 0 | 0 | 0 | 108.6 | D787 V788 G852 T854 A856 L911 L912 P914 N928 | D787-N850 PolarHBondContact N-OD1 3.26Å; D787-N850 VanDerWaalsContact N-OD1 3.14Å; D787-N850 CarbonylContact O-C 3.5Å; D787-N850 WeakPolarHBondContact O-CA 3.44Å; V788-N850 HydrophobicContact CG2-CB 4.27Å; N850-G852 VanDerWaalsContact C-N 3.28Å; N850-G852 PolarHBondContact OD1-N 3.5Å; N850-G852 VanDerWaalsContact OD1-N 3.16Å; N850-T854 PolarHBondContact ND2-O 3.48Å; N850-A856 HydrophobicContact CB-CB 4.34Å; N850-A856 PolarHBondContact ND2-N 2.77Å; N850-L911 HydrophobicContact CB-CB 4.14Å; N850-L911 PolarHBondContact ND2-O 3.14Å; N850-L912 PolarHBondContact ND2-O 3.22Å; N850-P914 WeakPolarHBondContact O-CD 3.49Å; N850-P914 WeakPolarHBondContact O-CG 3.36Å; N850-N928 PolarHBondContact N-OD1 3.16Å |
| 851 | Y | 81.2 | Confident | 85.1 | Confident | 50 Ų | 50 | 28.3 Ų | 28.3 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | trans | -86.4 | 0.9 | 173.9 | -59.5 | -59.9 | 0 | 0 | 0 | 113 | D787 V789 Y805 Y849 P914 I925 | D787-Y851 PolarHBondContact O-N 2.77Å; V789-Y851 HydrophobicContact CB-CD2 4.13Å; V789-Y851 HydrophobicContact CB-CE2 3.79Å; V789-Y851 HydrophobicContact CG1-CE2 4.34Å; V789-Y851 HydrophobicContact CG2-CD2 3.53Å; V789-Y851 HydrophobicContact CG2-CE2 3.61Å; Y805-Y851 AromaticContact CD2-CD2 3.72Å; Y805-Y851 HydrophobicContact CD2-CD2 3.72Å; Y805-Y851 HydrophobicContact CD2-CE2 4.02Å; Y805-Y851 HydrophobicContact CD2-CG 4.47Å; Y805-Y851 HydrophobicContact CE1-CD2 4.49Å; Y805-Y851 HydrophobicContact CE1-CG 4.36Å; Y805-Y851 AromaticContact CE2-CD2 3.71Å; Y805-Y851 HydrophobicContact CE2-CD2 3.71Å; Y805-Y851 HydrophobicContact CE2-CE2 4.45Å; Y805-Y851 HydrophobicContact CE2-CG 4.13Å; Y805-Y851 HydrophobicContact CG-CD2 4.14Å; Y805-Y851 HydrophobicContact CG-CE2 4.11Å; Y849-Y851 HydrophobicContact CD1-CE1 4.22Å; Y849-Y851 AromaticContact CD1-CZ 3.91Å; Y849-Y851 WeakPolarHBondContact CD1-OH 3.44Å; Y849-Y851 HydrophobicContact CG-CE2 4.38Å; Y849-Y851 AromaticContact CG-CZ 3.97Å; Y851-P914 HydrophobicContact CD1-CG 4.32Å; Y851-I925 HydrophobicContact CD1-CD1 3.92Å; Y851-I925 HydrophobicContact CE1-CB 4.17Å; Y851-I925 HydrophobicContact CE1-CD1 3.57Å; Y851-I925 HydrophobicContact CE1-CG1 4.45Å; Y851-I925 HydrophobicContact CE1-CG2 3.94Å | ||
| 852 | G | 73.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -66 | 155.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | N850 T854 P913 | N850-G852 VanDerWaalsContact C-N 3.28Å; N850-G852 PolarHBondContact OD1-N 3.5Å; N850-G852 VanDerWaalsContact OD1-N 3.16Å; G852-T854 PolarHBondContact O-N 2.74Å; G852-T854 VanDerWaalsContact O-N 3.14Å; G852-P913 VanDerWaalsContact O-CB 3.25Å; G852-P913 WeakPolarHBondContact O-CB 3.41Å |
| 853 | P | 73.3 | Confident | 85.4 | Confident | 80 Ų | 80 | 22 Ų | 22 | 52% | 0.519 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -68.9 | -9.2 | 179.3 | 30.3 | -37.4 | 0 | 0 | 0 | 113.8 | K785 | K785-P853 HydrophobicContact CB-CG 4.11Å; K785-P853 WeakPolarHBondContact O-CD 3.48Å |
| 854 | T | 78.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -133.1 | 167.9 | 178.1 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | T781 K785 N850 G852 A856 | T781-T854 WeakPolarHBondContact OG1-CG2 3.33Å; K785-T854 VanDerWaalsContact C-OG1 3.32Å; K785-T854 PolarHBondContact N-OG1 3.45Å; K785-T854 PolarHBondContact O-N 3.31Å; K785-T854 PolarHBondContact O-OG1 2.98Å; N850-T854 PolarHBondContact ND2-O 3.48Å; G852-T854 PolarHBondContact O-N 2.74Å; G852-T854 VanDerWaalsContact O-N 3.14Å; T854-A856 PolarHBondContact O-N 3.17Å |
| 855 | K | 76.9 | Confident | 85.4 | Confident | 80 Ų | 80 | 23.1 Ų | 23.1 | 35% | 0.348 | 11% | 0.11 | S | C | . | . | trans | -57.1 | 126.7 | 171.5 | -45.9 | 176.9 | -171.7 | 178.1 | 0 | 109 | Q857 L911 L912 | K855-Q857 HydrophobicContact CB-CG 4.27Å; K855-L911 CarbonylContact C-O 3.52Å; K855-L911 WeakPolarHBondContact CA-O 3.46Å; K855-L912 HydrophobicContact CD-CD2 4.03Å; K855-L912 HydrophobicContact CG-CD2 4Å | ||
| 856 | A | 77.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 131.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | S786 V788 N850 T854 I859 T910 L911 T963 | S786-A856 VanDerWaalsContact CB-CB 3.47Å; V788-A856 HydrophobicContact CG2-CB 4.27Å; N850-A856 HydrophobicContact CB-CB 4.34Å; N850-A856 PolarHBondContact ND2-N 2.77Å; T854-A856 PolarHBondContact O-N 3.17Å; A856-I859 HydrophobicContact CB-CD1 3.51Å; A856-I859 HydrophobicContact CB-CG1 4.14Å; A856-I859 WeakPolarHBondContact O-CD1 3.46Å; A856-T910 CarbonylContact O-C 3.6Å; A856-T910 VanDerWaalsContact O-CA 3.24Å; A856-T910 WeakPolarHBondContact O-CA 3.38Å; A856-L911 HydrophobicContact CB-CB 4.44Å; A856-L911 PolarHBondContact N-O 2.91Å; A856-L911 PolarHBondContact O-N 2.04Å; A856-T963 WeakPolarHBondContact CA-OG1 3.19Å |
| 857 | Q | 75.2 | Confident | 84.9 | Confident | 22 Ų | 22 | 26.6 Ų | 26.6 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.5 | -177.3 | -53.3 | -160.6 | -89.3 | 0 | 0 | 111.2 | Y776 K855 I859 T910 G962 T963 | Y776-Q857 VanDerWaalsContact CB-OE1 3.29Å; Y776-Q857 HydrophobicContact CD1-CB 3.76Å; Y776-Q857 HydrophobicContact CD1-CG 4.3Å; Y776-Q857 HydrophobicContact CD2-CB 4.17Å; Y776-Q857 HydrophobicContact CE1-CB 4.06Å; Y776-Q857 HydrophobicContact CE2-CB 4.41Å; Y776-Q857 HydrophobicContact CG-CB 3.85Å; K855-Q857 HydrophobicContact CB-CG 4.27Å; Q857-I859 VanDerWaalsContact C-N 3.28Å; Q857-I859 PolarHBondContact O-N 3.11Å; Q857-T910 HydrophobicContact CB-CG2 4.03Å; Q857-T910 HydrophobicContact CG-CG2 3.83Å; Q857-G962 CarbonylContact O-C 3.58Å; Q857-G962 VanDerWaalsContact O-CA 3.23Å; Q857-G962 WeakPolarHBondContact O-CA 3.19Å; Q857-G962 PolarHBondContact O-N 2.85Å; Q857-T963 HydrophobicContact CB-CG2 4.19Å; Q857-T963 PolarHBondContact N-OG1 3.11Å; Q857-T963 PolarHBondContact O-N 2.77Å; Q857-T963 VanDerWaalsContact O-N 3.16Å |
| 858 | G | 75 | Confident | 84.7 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 65.7 | 32 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | I625 Y776 G909 G962 | I625-G858 WeakPolarHBondContact O-CA 3.47Å; Y776-G858 WeakPolarHBondContact OH-CA 3.37Å; G858-G909 PolarHBondContact N-O 3.29Å; G858-G909 VanDerWaalsContact N-O 3.09Å; G858-G962 PolarHBondContact O-N 2.86Å |
| 859 | I | 86.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.7 | -172.2 | -55.8 | 166.5 | 0 | 0 | 0 | 109.6 | A856 Q857 I908 G909 L911 V959 I960 T961 | A856-I859 HydrophobicContact CB-CD1 3.51Å; A856-I859 HydrophobicContact CB-CG1 4.14Å; A856-I859 WeakPolarHBondContact O-CD1 3.46Å; Q857-I859 VanDerWaalsContact C-N 3.28Å; Q857-I859 PolarHBondContact O-N 3.11Å; I859-I908 HydrophobicContact CB-CB 4.09Å; I859-I908 HydrophobicContact CB-CG2 3.99Å; I859-I908 HydrophobicContact CG2-CB 3.95Å; I859-I908 HydrophobicContact CG2-CD1 4.06Å; I859-I908 HydrophobicContact CG2-CG2 3.9Å; I859-I908 WeakPolarHBondContact O-CB 3.42Å; I859-I908 PolarHBondContact O-N 2.85Å; I859-G909 PolarHBondContact N-O 2.97Å; I859-G909 PolarHBondContact O-N 2.79Å; I859-L911 HydrophobicContact CD1-CB 3.71Å; I859-L911 HydrophobicContact CD1-CD1 3.82Å; I859-L911 HydrophobicContact CD1-CG 3.41Å; I859-L911 VanDerWaalsContact CD1-CG 3.41Å; I859-L911 VanDerWaalsContact CD1-N 3.34Å; I859-V959 HydrophobicContact CG2-CG1 3.7Å; I859-I960 WeakPolarHBondContact CA-O 3.25Å; I859-T961 HydrophobicContact CG1-CG2 4.34Å |
| 860 | R | 84.9 | Confident | 84.7 | Confident | 60 Ų | 60 | 28.1 Ų | 28.1 | 23% | 0.226 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.1 | 175.9 | 66.4 | -155.4 | -165.2 | 82.9 | 10.4 | 110.3 | E862 H905 C906 I960 | R860-E862 IonicContact CZ-OE1 3.62Å; R860-E862 IonicContact NH1-OE1 3.15Å; R860-E862 PolarHBondContact NH1-OE1 3.1Å; R860-E862 IonicContact NH2-OE1 3.68Å; R860-E862 PolarHBondContact NH2-OE1 3.18Å; R860-H905 WeakPolarHBondContact CD-NE2 3.46Å; R860-H905 PolarHBondContact NH1-CD2 2.99Å; R860-H905 PolarHBondContact NH1-NE2 3.05Å; R860-C906 CarbonylContact C-O 3.52Å; R860-C906 VanDerWaalsContact CA-O 3.31Å; R860-C906 WeakPolarHBondContact CA-O 3.36Å; R860-I960 HydrophobicContact CG-CB 3.97Å; R860-I960 PolarHBondContact N-O 2.97Å; R860-I960 PolarHBondContact O-N 3.22Å |
| 861 | M | 92.1 | Very high | 85 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.3 | 172.1 | -168.1 | -166.9 | -36.3 | 0 | 0 | 108.5 | I846 I848 L863 C906 I908 F931 I957 V959 | I846-M861 HydrophobicContact CD1-SD 3.9Å; I846-M861 HydrophobicContact CG2-SD 4.47Å; I848-M861 HydrophobicContact CD1-CE 4.05Å; M861-L863 HydrophobicContact CG-CD2 4.09Å; M861-L863 HydrophobicContact CG-CG 4.41Å; M861-L863 HydrophobicContact SD-CD1 4.46Å; M861-L863 HydrophobicContact SD-CD2 3.66Å; M861-L863 HydrophobicContact SD-CG 4.14Å; M861-C906 HydrophobicContact CB-CB 4.26Å; M861-C906 PolarHBondContact N-O 2.96Å; M861-C906 PolarHBondContact O-N 2.83Å; M861-I908 HydrophobicContact CB-CD1 3.87Å; M861-I908 HydrophobicContact CE-CD1 4Å; M861-F931 HydrophobicContact CE-CD1 4.14Å; M861-F931 HydrophobicContact CE-CD2 3.72Å; M861-F931 HydrophobicContact CE-CE1 4.24Å; M861-F931 HydrophobicContact CE-CE2 3.87Å; M861-F931 HydrophobicContact CE-CG 3.87Å; M861-F931 HydrophobicContact CE-CZ 4.12Å; M861-I957 HydrophobicContact CG-CG2 4.2Å; M861-I957 HydrophobicContact SD-CG2 4.23Å; M861-V959 HydrophobicContact CB-CG2 4.47Å; M861-V959 HydrophobicContact CG-CG2 4.18Å |
| 862 | E | 92 | Very high | 85.4 | Confident | 35 Ų | 35 | 29.8 Ų | 29.8 | 16% | 0.164 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.6 | 167.8 | -66.9 | -179.1 | 164.9 | 0 | 0 | 108.5 | R860 W903 V904 N958 I960 | R860-E862 IonicContact CZ-OE1 3.62Å; R860-E862 IonicContact NH1-OE1 3.15Å; R860-E862 PolarHBondContact NH1-OE1 3.1Å; R860-E862 IonicContact NH2-OE1 3.68Å; R860-E862 PolarHBondContact NH2-OE1 3.18Å; E862-W903 HydrophobicContact CG-CZ2 3.88Å; E862-V904 WeakPolarHBondContact CA-O 3.31Å; E862-N958 HydrophobicContact CB-CB 4.38Å; E862-N958 PolarHBondContact N-O 2.87Å; E862-N958 PolarHBondContact O-N 3.12Å; E862-I960 VanDerWaalsContact CD-CD1 3.49Å; E862-I960 HydrophobicContact CG-CD1 4.25Å; E862-I960 WeakPolarHBondContact OE2-CD1 3.13Å |
| 863 | L | 94.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 110.7 | 173.3 | -57 | 171.9 | 0 | 0 | 0 | 107.8 | I846 M861 F865 F871 W903 V904 L933 V955 I957 | I846-L863 HydrophobicContact CD1-CD2 4.24Å; M861-L863 HydrophobicContact CG-CD2 4.09Å; M861-L863 HydrophobicContact CG-CG 4.41Å; M861-L863 HydrophobicContact SD-CD1 4.46Å; M861-L863 HydrophobicContact SD-CD2 3.66Å; M861-L863 HydrophobicContact SD-CG 4.14Å; L863-F865 HydrophobicContact CB-CE2 3.65Å; L863-F865 HydrophobicContact CB-CZ 4.06Å; L863-F865 HydrophobicContact CD1-CZ 4.43Å; L863-F871 HydrophobicContact CD1-CD2 4.49Å; L863-F871 HydrophobicContact CD1-CE2 4.42Å; L863-W903 WeakPolarHBondContact O-CA 3.48Å; L863-V904 HydrophobicContact CB-CB 4.18Å; L863-V904 HydrophobicContact CD1-CB 4.46Å; L863-V904 HydrophobicContact CD1-CG1 4.41Å; L863-V904 PolarHBondContact N-O 3.01Å; L863-V904 PolarHBondContact O-N 2.83Å; L863-L933 HydrophobicContact CD1-CD1 3.8Å; L863-L933 HydrophobicContact CD1-CD2 3.88Å; L863-L933 HydrophobicContact CD1-CG 4.42Å; L863-L933 HydrophobicContact CD2-CD2 3.94Å; L863-L933 HydrophobicContact CG-CD2 4.48Å; L863-V955 HydrophobicContact CB-CG2 4.34Å; L863-V955 HydrophobicContact CD2-CG2 4.5Å; L863-I957 HydrophobicContact CD2-CB 4.19Å; L863-I957 HydrophobicContact CD2-CG1 3.7Å; L863-I957 HydrophobicContact CD2-CG2 3.99Å |
| 864 | Q | 93.2 | Very high | 87.3 | Confident | 88 Ų | 88 | 31.7 Ų | 31.7 | 41% | 0.411 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.8 | 177 | -170.2 | 179 | 26.3 | 0 | 0 | 109.9 | H866 V955 T956 | Q864-H866 PolarHBondContact NE2-NE2 3.44Å; Q864-H866 PolarHBondContact O-CD2 2.89Å; Q864-H866 VanDerWaalsContact O-CD2 3.31Å; Q864-H866 PolarHBondContact OE1-NE2 3.27Å; Q864-V955 CarbonylContact O-C 3.57Å; Q864-V955 VanDerWaalsContact O-CA 3.3Å; Q864-V955 WeakPolarHBondContact O-CA 3.34Å; Q864-T956 PolarHBondContact N-O 2.96Å; Q864-T956 PolarHBondContact O-N 3.31Å |
| 865 | F | 93.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135 | 179.2 | -63.1 | -92 | 0 | 0 | 0 | 110.5 | L863 L869 F871 T902 V904 L933 T935 V955 | L863-F865 HydrophobicContact CB-CE2 3.65Å; L863-F865 HydrophobicContact CB-CZ 4.06Å; L863-F865 HydrophobicContact CD1-CZ 4.43Å; F865-L869 HydrophobicContact CD1-CB 4.42Å; F865-L869 HydrophobicContact CD1-CD2 4.08Å; F865-L869 HydrophobicContact CD1-CG 4.14Å; F865-L869 HydrophobicContact CE1-CD2 4.44Å; F865-F871 HydrophobicContact CD2-CB 4.39Å; F865-F871 HydrophobicContact CE1-CB 4.44Å; F865-F871 HydrophobicContact CE2-CB 3.79Å; F865-F871 HydrophobicContact CE2-CD2 4.18Å; F865-F871 HydrophobicContact CE2-CG 4.45Å; F865-F871 HydrophobicContact CZ-CB 3.83Å; F865-F871 AromaticContact CZ-CD2 3.93Å; F865-F871 HydrophobicContact CZ-CD2 3.93Å; F865-F871 HydrophobicContact CZ-CG 4.4Å; F865-T902 PolarHBondContact N-O 2.84Å; F865-V904 HydrophobicContact CD2-CG2 4.34Å; F865-V904 HydrophobicContact CE2-CB 4.27Å; F865-V904 HydrophobicContact CE2-CG2 3.78Å; F865-L933 HydrophobicContact CZ-CD1 4.23Å; F865-L933 HydrophobicContact CZ-CD2 4.27Å; F865-T935 HydrophobicContact CE1-CG2 3.77Å; F865-V955 HydrophobicContact CD1-CB 4.13Å; F865-V955 HydrophobicContact CD1-CG2 4.1Å; F865-V955 HydrophobicContact CE1-CB 4.11Å; F865-V955 HydrophobicContact CE1-CG2 3.85Å; F865-V955 HydrophobicContact CE2-CG2 4.44Å; F865-V955 HydrophobicContact CG-CG2 4.5Å; F865-V955 HydrophobicContact CZ-CG2 4.01Å |
| 866 | H | 89.6 | Confident | 88.6 | Confident | 68 Ų | 68 | 31 Ų | 31 | 32% | 0.315 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.2 | -175.5 | -59.8 | -80 | 0 | 0 | 0 | 110.9 | Q864 N868 A953 G954 T956 | Q864-H866 PolarHBondContact NE2-NE2 3.44Å; Q864-H866 PolarHBondContact O-CD2 2.89Å; Q864-H866 VanDerWaalsContact O-CD2 3.31Å; Q864-H866 PolarHBondContact OE1-NE2 3.27Å; H866-N868 PolarHBondContact O-N 3.22Å; H866-A953 CarbonylContact O-C 3.56Å; H866-A953 WeakPolarHBondContact O-CA 3.45Å; H866-G954 PolarHBondContact N-O 3.02Å; H866-G954 PolarHBondContact O-N 3.47Å; H866-G954 VanDerWaalsContact O-N 3.11Å; H866-T956 PolarHBondContact CD2-OG1 2.91Å |
| 867 | G | 87.9 | Confident | 89 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 35% | 0.351 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.7 | -128.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G952 | G867-G952 WeakPolarHBondContact CA-O 3.23Å |
| 868 | N | 86.2 | Confident | 89.1 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2.3 | -172.1 | -60.8 | -26.6 | 0 | 0 | 0 | 114.5 | H866 Y937 D938 D948 L951 G952 | H866-N868 PolarHBondContact O-N 3.22Å; N868-Y937 HydrophobicContact CB-CD1 3.89Å; N868-Y937 HydrophobicContact CB-CE1 3.23Å; N868-Y937 HydrophobicContact CB-CE2 4.29Å; N868-Y937 VanDerWaalsContact CB-CZ 3.44Å; N868-Y937 WeakPolarHBondContact CB-OH 3.49Å; N868-Y937 PolarHBondContact ND2-OH 3.03Å; N868-D938 PolarHBondContact O-N 3.11Å; N868-D948 PolarHBondContact ND2-O 3.26Å; N868-L951 WeakPolarHBondContact OD1-CD1 3.27Å; N868-G952 PolarHBondContact N-O 3.34Å |
| 869 | L | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 144 | 174.8 | -158.8 | 69.7 | 0 | 0 | 0 | 110.7 | P842 F865 T935 A953 V955 Y977 | P842-L869 HydrophobicContact CG-CD1 4.08Å; F865-L869 HydrophobicContact CD1-CB 4.42Å; F865-L869 HydrophobicContact CD1-CD2 4.08Å; F865-L869 HydrophobicContact CD1-CG 4.14Å; F865-L869 HydrophobicContact CE1-CD2 4.44Å; L869-T935 HydrophobicContact CD2-CG2 4.39Å; L869-A953 HydrophobicContact CB-CB 4.04Å; L869-V955 HydrophobicContact CD2-CB 4.17Å; L869-V955 HydrophobicContact CD2-CG1 4.36Å; L869-Y977 HydrophobicContact CD1-CD2 4.45Å; L869-Y977 HydrophobicContact CD2-CD2 3.94Å; L869-Y977 HydrophobicContact CD2-CE2 3.98Å |
| 870 | K | 90 | Very high | 87.7 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 15% | 0.148 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.5 | -176.2 | -63 | -66.9 | 166 | -168.9 | 0 | 112 | N900 E901 T935 Y936 D938 | K870-N900 PolarHBondContact NZ-O 3.1Å; K870-E901 WeakPolarHBondContact CB-OE2 3.38Å; K870-E901 HydrophobicContact CD-CB 3.89Å; K870-T935 WeakPolarHBondContact O-CA 3.43Å; K870-T935 WeakPolarHBondContact O-CB 3.46Å; K870-Y936 HydrophobicContact CB-CD1 3.74Å; K870-Y936 HydrophobicContact CB-CD2 4.33Å; K870-Y936 HydrophobicContact CB-CE1 3.32Å; K870-Y936 HydrophobicContact CB-CE2 3.96Å; K870-Y936 HydrophobicContact CB-CG 4.23Å; K870-Y936 VanDerWaalsContact CB-CZ 3.43Å; K870-Y936 HydrophobicContact CG-CE1 4.35Å; K870-Y936 HydrophobicContact CG-CE2 4.28Å; K870-Y936 PolarHBondContact N-O 3.2Å; K870-Y936 PolarHBondContact O-N 3.01Å; K870-D938 HydrophobicContact CG-CB 3.97Å |
| 871 | F | 92.8 | Very high | 86.2 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 130.1 | 179.1 | 175.1 | -97.4 | 0 | 0 | 0 | 111.3 | L863 F865 L874 V895 V897 V904 L933 Y936 | L863-F871 HydrophobicContact CD1-CD2 4.49Å; L863-F871 HydrophobicContact CD1-CE2 4.42Å; F865-F871 HydrophobicContact CD2-CB 4.39Å; F865-F871 HydrophobicContact CE1-CB 4.44Å; F865-F871 HydrophobicContact CE2-CB 3.79Å; F865-F871 HydrophobicContact CE2-CD2 4.18Å; F865-F871 HydrophobicContact CE2-CG 4.45Å; F865-F871 HydrophobicContact CZ-CB 3.83Å; F865-F871 AromaticContact CZ-CD2 3.93Å; F865-F871 HydrophobicContact CZ-CD2 3.93Å; F865-F871 HydrophobicContact CZ-CG 4.4Å; F871-L874 HydrophobicContact CE2-CB 4.01Å; F871-L874 HydrophobicContact CZ-CB 4.07Å; F871-V895 HydrophobicContact CZ-CB 4.5Å; F871-V897 HydrophobicContact CD1-CG1 4.43Å; F871-V897 HydrophobicContact CD1-CG2 3.6Å; F871-V897 HydrophobicContact CE1-CG2 3.66Å; F871-V897 HydrophobicContact CG-CG2 4.39Å; F871-V897 HydrophobicContact CZ-CG2 4.5Å; F871-V904 HydrophobicContact CB-CG2 3.73Å; F871-V904 HydrophobicContact CD1-CG2 4.24Å; F871-V904 HydrophobicContact CD2-CB 4.33Å; F871-V904 HydrophobicContact CD2-CG1 4.07Å; F871-V904 HydrophobicContact CD2-CG2 3.83Å; F871-V904 HydrophobicContact CE2-CG1 3.93Å; F871-V904 HydrophobicContact CG-CG1 4.48Å; F871-V904 HydrophobicContact CG-CG2 3.67Å; F871-V904 HydrophobicContact CZ-CG1 4.23Å; F871-L933 HydrophobicContact CD2-CD1 3.77Å; F871-L933 HydrophobicContact CE2-CD1 3.81Å; F871-Y936 VanDerWaalsContact O-CE1 3.3Å; F871-Y936 WeakPolarHBondContact O-CE1 3.39Å |
| 872 | S | 90.7 | Very high | 84.3 | Confident | 66 Ų | 66 | 47 Ų | 47 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -52.9 | 172.3 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | S934 | S872-S934 WeakPolarHBondContact CA-O 3.25Å; S872-S934 VanDerWaalsContact CB-O 3.31Å; S872-S934 WeakPolarHBondContact CB-O 3.07Å; S872-S934 PolarHBondContact N-O 3.26Å |
| 873 | R | 91.9 | Very high | 82.5 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 146.8 | -171.1 | -165.5 | 176.4 | -178.5 | 98.8 | -11.5 | 109.8 | E875 V892 S934 | R873-E875 VanDerWaalsContact CD-OE1 3.24Å; R873-E875 WeakPolarHBondContact CD-OE1 2.93Å; R873-E875 HydrophobicContact CG-CG 4.21Å; R873-E875 IonicContact CZ-OE1 2.66Å; R873-E875 IonicContact NE-OE1 2.86Å; R873-E875 PolarHBondContact NE-OE1 2.8Å; R873-V892 HydrophobicContact CG-CG1 3.79Å; R873-V892 VanDerWaalsContact CZ-CG1 3.42Å; R873-S934 PolarHBondContact N-O 2.89Å; R873-S934 VanDerWaalsContact N-O 3.13Å; R873-S934 PolarHBondContact O-N 2.87Å |
| 874 | L | 93.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.7 | 169.4 | -170.9 | 68 | 0 | 0 | 0 | 108.7 | F871 L893 V895 C906 F931 L933 | F871-L874 HydrophobicContact CE2-CB 4.01Å; F871-L874 HydrophobicContact CZ-CB 4.07Å; L874-L893 HydrophobicContact CD2-CD1 4.01Å; L874-L893 HydrophobicContact CG-CD1 4.21Å; L874-L893 PolarHBondContact O-N 3.16Å; L874-V895 HydrophobicContact CB-CG2 4.03Å; L874-V895 HydrophobicContact CD2-CG2 4.01Å; L874-C906 HydrophobicContact CD2-CB 3.92Å; L874-F931 HydrophobicContact CD1-CB 4Å; L874-F931 HydrophobicContact CD1-CD1 4.41Å; L874-F931 HydrophobicContact CD2-CD1 4.17Å; L874-F931 HydrophobicContact CG-CD1 4.19Å; L874-L933 HydrophobicContact CD1-CB 3.92Å; L874-L933 HydrophobicContact CD1-CD1 4.24Å |
| 875 | E | 92.7 | Very high | 78.6 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 15% | 0.15 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.4 | 178 | -39.4 | -163.3 | 147.7 | 0 | 0 | 109.8 | R873 S890 E891 V892 F931 I932 | R873-E875 VanDerWaalsContact CD-OE1 3.24Å; R873-E875 WeakPolarHBondContact CD-OE1 2.93Å; R873-E875 HydrophobicContact CG-CG 4.21Å; R873-E875 IonicContact CZ-OE1 2.66Å; R873-E875 IonicContact NE-OE1 2.86Å; R873-E875 PolarHBondContact NE-OE1 2.8Å; E875-S890 WeakPolarHBondContact OE2-CB 3.3Å; E875-S890 PolarHBondContact OE2-OG 2.78Å; E875-E891 CarbonylContact C-O 3.57Å; E875-E891 VanDerWaalsContact CA-O 3.22Å; E875-E891 WeakPolarHBondContact CA-O 3.38Å; E875-V892 HydrophobicContact CB-CG2 4.34Å; E875-V892 HydrophobicContact CG-CG2 3.89Å; E875-V892 WeakPolarHBondContact OE1-CG2 3.3Å; E875-F931 CarbonylContact O-C 3.56Å; E875-F931 WeakPolarHBondContact O-CA 3.32Å; E875-F931 WeakPolarHBondContact O-CB 3.36Å; E875-I932 HydrophobicContact CB-CB 4.41Å; E875-I932 PolarHBondContact N-O 3.33Å; E875-I932 PolarHBondContact O-N 2.87Å |
| 876 | L | 90 | Very high | 76.5 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.7 | 171.7 | -178.7 | 69.4 | 0 | 0 | 0 | 108.3 | V878 S890 E891 L893 Q929 F931 | L876-V878 HydrophobicContact CD2-CG2 3.94Å; L876-V878 HydrophobicContact CG-CG2 3.97Å; L876-V878 PolarHBondContact O-N 3.21Å; L876-S890 CarbonylContact O-C 3.58Å; L876-S890 VanDerWaalsContact O-CA 3.3Å; L876-S890 WeakPolarHBondContact O-CA 3.33Å; L876-E891 PolarHBondContact N-O 3.4Å; L876-E891 PolarHBondContact O-N 3.21Å; L876-L893 HydrophobicContact CB-CD1 4.14Å; L876-L893 HydrophobicContact CB-CD2 4.32Å; L876-L893 HydrophobicContact CB-CG 4.25Å; L876-Q929 HydrophobicContact CD1-CB 4.41Å; L876-Q929 HydrophobicContact CD1-CG 4.39Å; L876-F931 HydrophobicContact CD1-CD1 4.1Å; L876-F931 HydrophobicContact CD1-CE1 3.71Å; L876-F931 HydrophobicContact CD1-CE2 4.42Å; L876-F931 HydrophobicContact CD1-CZ 3.87Å |
| 877 | E | 86 | Confident | 74.9 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.3 | 175.9 | -172.6 | -173.3 | -176.4 | 0 | 0 | 108.1 | Q845 R888 R930 | Q845-E877 PolarHBondContact NE2-OE2 3.43Å; E877-R888 HydrophobicContact CG-CB 4.42Å; E877-R888 WeakPolarHBondContact OE1-CD 3.33Å; E877-R888 IonicContact OE1-CZ 3.89Å; E877-R888 IonicContact OE1-NE 3.9Å; E877-R888 IonicContact OE1-NH1 3.4Å; E877-R888 PolarHBondContact OE1-NH1 3.48Å; E877-R930 HydrophobicContact CB-CB 3.77Å; E877-R930 HydrophobicContact CG-CB 4.42Å; E877-R930 PolarHBondContact N-O 2.87Å; E877-R930 WeakPolarHBondContact OE2-CD 3.48Å |
| 878 | V | 78.9 | Confident | 73.8 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.8 | -177.9 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | L876 S880 H889 E891 | L876-V878 HydrophobicContact CD2-CG2 3.94Å; L876-V878 HydrophobicContact CG-CG2 3.97Å; L876-V878 PolarHBondContact O-N 3.21Å; V878-S880 PolarHBondContact O-N 3.49Å; V878-H889 PolarHBondContact N-O 3.02Å; V878-H889 PolarHBondContact O-N 2.71Å; V878-H889 VanDerWaalsContact O-N 3.14Å; V878-E891 HydrophobicContact CG2-CG 4.43Å |
| 879 | D | 70.5 | Confident | 73.3 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 105.9 | 171.8 | -74.1 | -61.1 | 0 | 0 | 0 | 109.3 | R888 R930 | D879-R888 WeakPolarHBondContact OD1-CD 3.34Å; D879-R888 WeakPolarHBondContact OD1-CG 3.14Å; D879-R888 IonicContact OD1-CZ 3.72Å; D879-R888 IonicContact OD1-NE 2.74Å; D879-R888 PolarHBondContact OD1-NE 2.92Å; D879-R888 IonicContact OD1-NH2 3.46Å; D879-R930 IonicContact OD2-NE 2.99Å |
| 880 | S | 60.6 | Low | 72.8 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116 | 175.4 | 80.4 | 0 | 0 | 0 | 0 | 110.5 | V878 N882 S887 H889 | V878-S880 PolarHBondContact O-N 3.49Å; S880-N882 PolarHBondContact O-N 2.79Å; S880-S887 PolarHBondContact N-O 3.18Å; S880-S887 PolarHBondContact OG-O 3.47Å; S880-S887 PolarHBondContact OG-OG 3.44Å; S880-S887 VanDerWaalsContact OG-OG 3.13Å; S880-H889 PolarHBondContact OG-ND1 2.93Å |
| 881 | S | 54 | Low | 72.5 | Confident | 116 Ų | 116 | 78.7 Ų | 78.7 | 81% | 0.811 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 61.4 | 178.6 | 68 | 0 | 0 | 0 | 0 | 111.4 | ||
| 882 | N | 51.5 | Low | 72.1 | Confident | 120 Ų | 120 | 80.4 Ų | 80.4 | 64% | 0.642 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.9 | 169 | -120.1 | -10.6 | 0 | 0 | 0 | 109.5 | S880 D884 S885 | S880-N882 PolarHBondContact O-N 2.79Å; N882-D884 VanDerWaalsContact C-N 3.28Å; N882-D884 PolarHBondContact O-N 3.37Å; N882-S885 PolarHBondContact O-N 2.8Å; N882-S885 VanDerWaalsContact O-N 3.13Å |
| 883 | T | 53.3 | Low | 71.8 | Confident | 132 Ų | 132 | 79.7 Ų | 79.7 | 81% | 0.81 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -5.5 | -137.5 | 44.8 | 0 | 0 | 0 | 0 | 119.3 | ||
| 884 | D | 53.5 | Low | 71.3 | Confident | 168 Ų | 168 | 82.9 Ų | 82.9 | 90% | 0.898 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 6 | 175.6 | -78.7 | -62.8 | 0 | 0 | 0 | 114.4 | N882 | N882-D884 VanDerWaalsContact C-N 3.28Å; N882-D884 PolarHBondContact O-N 3.37Å |
| 885 | S | 52.5 | Low | 70.9 | Confident | 78 Ų | 78 | 84.1 Ų | 84.1 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 123.2 | 170.7 | 62.3 | 0 | 0 | 0 | 0 | 112 | N882 S887 | N882-S885 PolarHBondContact O-N 2.8Å; N882-S885 VanDerWaalsContact O-N 3.13Å; S885-S887 PolarHBondContact O-N 3.29Å |
| 886 | T | 50.9 | Low | 70.3 | Confident | 124 Ų | 124 | 88 Ų | 88 | 76% | 0.761 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 76.3 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | R888 | T886-R888 PolarHBondContact O-N 2.86Å |
| 887 | S | 55.4 | Low | 70 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.1 | 169.9 | 44.9 | 0 | 0 | 0 | 0 | 108.1 | S880 S885 H889 | S880-S887 PolarHBondContact N-O 3.18Å; S880-S887 PolarHBondContact OG-O 3.47Å; S880-S887 PolarHBondContact OG-OG 3.44Å; S880-S887 VanDerWaalsContact OG-OG 3.13Å; S885-S887 PolarHBondContact O-N 3.29Å; S887-H889 PolarHBondContact O-ND1 2.91Å; S887-H889 PolarHBondContact OG-CE1 2.83Å |
| 888 | R | 64.7 | Low | 69.9 | Low | 120 Ų | 120 | 89.2 Ų | 89.2 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.4 | 173.6 | -65.9 | -163.4 | 179 | 153.9 | 7.6 | 109.4 | E877 D879 T886 | E877-R888 HydrophobicContact CG-CB 4.42Å; E877-R888 WeakPolarHBondContact OE1-CD 3.33Å; E877-R888 IonicContact OE1-CZ 3.89Å; E877-R888 IonicContact OE1-NE 3.9Å; E877-R888 IonicContact OE1-NH1 3.4Å; E877-R888 PolarHBondContact OE1-NH1 3.48Å; D879-R888 WeakPolarHBondContact OD1-CD 3.34Å; D879-R888 WeakPolarHBondContact OD1-CG 3.14Å; D879-R888 IonicContact OD1-CZ 3.72Å; D879-R888 IonicContact OD1-NE 2.74Å; D879-R888 PolarHBondContact OD1-NE 2.92Å; D879-R888 IonicContact OD1-NH2 3.46Å; T886-R888 PolarHBondContact O-N 2.86Å |
| 889 | H | 76.5 | Confident | 69.9 | Low | 108 Ų | 108 | 96.6 Ų | 96.6 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | 175.1 | -61.9 | 85.3 | 0 | 0 | 0 | 107.8 | V878 S880 S887 | V878-H889 PolarHBondContact N-O 3.02Å; V878-H889 PolarHBondContact O-N 2.71Å; V878-H889 VanDerWaalsContact O-N 3.14Å; S880-H889 PolarHBondContact OG-ND1 2.93Å; S887-H889 PolarHBondContact O-ND1 2.91Å; S887-H889 PolarHBondContact OG-CE1 2.83Å |
| 890 | S | 78.5 | Confident | 70.2 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 42% | 0.42 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.2 | 170.4 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | E875 L876 | E875-S890 WeakPolarHBondContact OE2-CB 3.3Å; E875-S890 PolarHBondContact OE2-OG 2.78Å; L876-S890 CarbonylContact O-C 3.58Å; L876-S890 VanDerWaalsContact O-CA 3.3Å; L876-S890 WeakPolarHBondContact O-CA 3.33Å |
| 891 | E | 83.5 | Confident | 71.1 | Confident | 124 Ų | 124 | 98.7 Ų | 98.7 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 143.2 | 171.7 | -72.3 | -170.5 | 173.1 | 0 | 0 | 109.7 | E875 L876 V878 | E875-E891 CarbonylContact C-O 3.57Å; E875-E891 VanDerWaalsContact CA-O 3.22Å; E875-E891 WeakPolarHBondContact CA-O 3.38Å; L876-E891 PolarHBondContact N-O 3.4Å; L876-E891 PolarHBondContact O-N 3.21Å; V878-E891 HydrophobicContact CG2-CG 4.43Å |
| 892 | V | 84.7 | Confident | 72.6 | Confident | 57 Ų | 57 | 95.5 Ų | 95.5 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.7 | -168.7 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | R873 E875 | R873-V892 HydrophobicContact CG-CG1 3.79Å; R873-V892 VanDerWaalsContact CZ-CG1 3.42Å; E875-V892 HydrophobicContact CB-CG2 4.34Å; E875-V892 HydrophobicContact CG-CG2 3.89Å; E875-V892 WeakPolarHBondContact OE1-CG2 3.3Å |
| 893 | L | 84.4 | Confident | 74.3 | Confident | 50 Ų | 50 | 94.1 Ų | 94.1 | 26% | 0.262 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.7 | -175 | -60.6 | 174.5 | 0 | 0 | 0 | 109.9 | L874 L876 V895 F931 | L874-L893 HydrophobicContact CD2-CD1 4.01Å; L874-L893 HydrophobicContact CG-CD1 4.21Å; L874-L893 PolarHBondContact O-N 3.16Å; L876-L893 HydrophobicContact CB-CD1 4.14Å; L876-L893 HydrophobicContact CB-CD2 4.32Å; L876-L893 HydrophobicContact CB-CG 4.25Å; L893-V895 HydrophobicContact CB-CG2 3.9Å; L893-F931 HydrophobicContact CD1-CD1 3.69Å; L893-F931 HydrophobicContact CD1-CE1 3.49Å; L893-F931 VanDerWaalsContact CD1-CE1 3.49Å |
| 894 | M | 81.6 | Confident | 76 | Confident | 188 Ų | 188 | 87.8 Ų | 87.8 | 93% | 0.926 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 118.4 | 163.3 | -65.2 | -60 | -66.2 | 0 | 0 | 107.7 | ||
| 895 | V | 84.5 | Confident | 77.5 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 16% | 0.158 | 42% | 0.417 | C | S | . | . | trans | -125.1 | 146.1 | -173.6 | -164.6 | 0 | 0 | 0 | 0 | 109.7 | F871 L874 L893 V897 V904 H905 C906 | F871-V895 HydrophobicContact CZ-CB 4.5Å; L874-V895 HydrophobicContact CB-CG2 4.03Å; L874-V895 HydrophobicContact CD2-CG2 4.01Å; L893-V895 HydrophobicContact CB-CG2 3.9Å; V895-V897 PolarHBondContact O-N 3.21Å; V895-V904 HydrophobicContact CB-CG1 4.02Å; V895-V904 HydrophobicContact CG1-CG1 3.35Å; V895-H905 VanDerWaalsContact CG1-C 3.42Å; V895-H905 WeakPolarHBondContact CG1-O 3.41Å; V895-C906 HydrophobicContact CG1-CB 3.72Å; V895-C906 HydrophobicContact CG2-CB 4.44Å | ||
| 896 | E | 81.3 | Confident | 79.1 | Confident | 115 Ų | 115 | 77 Ų | 77 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 122.9 | 175.9 | -166.7 | 172.9 | -161.1 | 0 | 0 | 109.9 | V904 H905 | E896-V904 WeakPolarHBondContact O-CA 3.47Å; E896-H905 PolarHBondContact O-N 2.9Å |
| 897 | V | 84.1 | Confident | 80.6 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | F871 V895 E901 V904 | F871-V897 HydrophobicContact CD1-CG1 4.43Å; F871-V897 HydrophobicContact CD1-CG2 3.6Å; F871-V897 HydrophobicContact CE1-CG2 3.66Å; F871-V897 HydrophobicContact CG-CG2 4.39Å; F871-V897 HydrophobicContact CZ-CG2 4.5Å; V895-V897 PolarHBondContact O-N 3.21Å; V897-E901 HydrophobicContact CG1-CB 4.12Å; V897-E901 HydrophobicContact CG1-CG 3.86Å; V897-V904 HydrophobicContact CB-CG2 4.2Å; V897-V904 HydrophobicContact CG1-CG2 3.91Å; V897-V904 HydrophobicContact CG2-CG1 4.07Å; V897-V904 HydrophobicContact CG2-CG2 3.86Å |
| 898 | S | 83.9 | Confident | 81.9 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -57.9 | 148.2 | 173.1 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | N900 E901 T902 W903 | S898-N900 PolarHBondContact O-N 2.79Å; S898-N900 PolarHBondContact OG-OD1 2.73Å; S898-E901 WeakPolarHBondContact O-CA 3.23Å; S898-E901 PolarHBondContact O-N 3.41Å; S898-E901 PolarHBondContact OG-N 2.86Å; S898-T902 PolarHBondContact OG-N 2.93Å; S898-W903 WeakPolarHBondContact CB-O 3.5Å; S898-W903 PolarHBondContact N-O 2.87Å; S898-W903 PolarHBondContact OG-N 2.95Å; S898-W903 PolarHBondContact OG-O 3.47Å; S898-W903 VanDerWaalsContact OG-O 3.06Å | ||
| 899 | E | 77.7 | Confident | 82.6 | Confident | 209 Ų | 209 | 69.7 Ų | 69.7 | 98% | 0.977 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -25.8 | -179.7 | -62.8 | -176.6 | 160.7 | 0 | 0 | 115.4 | ||
| 900 | N | 77.6 | Confident | 82.7 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 7.7 | 179.9 | 65.3 | 6.1 | 0 | 0 | 0 | 113.7 | K870 S898 T902 | K870-N900 PolarHBondContact NZ-O 3.1Å; S898-N900 PolarHBondContact O-N 2.79Å; S898-N900 PolarHBondContact OG-OD1 2.73Å; N900-T902 HydrophobicContact CB-CG2 4.3Å; N900-T902 VanDerWaalsContact CG-OG1 3.28Å; N900-T902 PolarHBondContact ND2-OG1 3.38Å; N900-T902 PolarHBondContact O-N 3.25Å; N900-T902 VanDerWaalsContact O-N 3.1Å; N900-T902 WeakPolarHBondContact OD1-CB 3.49Å; N900-T902 WeakPolarHBondContact OD1-CG2 3.13Å; N900-T902 PolarHBondContact OD1-N 3.1Å; N900-T902 PolarHBondContact OD1-OG1 3.03Å |
| 901 | E | 79.7 | Confident | 82.9 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 50.7 | 27.9 | -175.7 | -52.6 | 177.4 | 168.7 | 0 | 0 | 114.1 | K870 V897 S898 Y936 | K870-E901 WeakPolarHBondContact CB-OE2 3.38Å; K870-E901 HydrophobicContact CD-CB 3.89Å; V897-E901 HydrophobicContact CG1-CB 4.12Å; V897-E901 HydrophobicContact CG1-CG 3.86Å; S898-E901 WeakPolarHBondContact O-CA 3.23Å; S898-E901 PolarHBondContact O-N 3.41Å; S898-E901 PolarHBondContact OG-N 2.86Å; E901-Y936 WeakPolarHBondContact OE2-CE1 3.16Å; E901-Y936 PolarHBondContact OE2-OH 2.94Å |
| 902 | T | 85.8 | Confident | 82.8 | Confident | 49 Ų | 49 | 64 Ų | 64 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -87 | -18.9 | 176.9 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | F865 S898 N900 | F865-T902 PolarHBondContact N-O 2.84Å; S898-T902 PolarHBondContact OG-N 2.93Å; N900-T902 HydrophobicContact CB-CG2 4.3Å; N900-T902 VanDerWaalsContact CG-OG1 3.28Å; N900-T902 PolarHBondContact ND2-OG1 3.38Å; N900-T902 PolarHBondContact O-N 3.25Å; N900-T902 VanDerWaalsContact O-N 3.1Å; N900-T902 WeakPolarHBondContact OD1-CB 3.49Å; N900-T902 WeakPolarHBondContact OD1-CG2 3.13Å; N900-T902 PolarHBondContact OD1-N 3.1Å; N900-T902 PolarHBondContact OD1-OG1 3.03Å |
| 903 | W | 86.7 | Confident | 82.3 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 35% | 0.345 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 135.5 | -177.9 | -172.1 | 83.3 | 0 | 0 | 0 | 111 | E862 L863 S898 H905 | E862-W903 HydrophobicContact CG-CZ2 3.88Å; L863-W903 WeakPolarHBondContact O-CA 3.48Å; S898-W903 WeakPolarHBondContact CB-O 3.5Å; S898-W903 PolarHBondContact N-O 2.87Å; S898-W903 PolarHBondContact OG-N 2.95Å; S898-W903 PolarHBondContact OG-O 3.47Å; S898-W903 VanDerWaalsContact OG-O 3.06Å; W903-H905 HydrophobicContact CE3-CB 4.22Å; W903-H905 HydrophobicContact CH2-CB 3.51Å; W903-H905 AromaticContact CH2-CD2 3.77Å; W903-H905 AromaticContact CH2-CG 3.76Å; W903-H905 HydrophobicContact CZ2-CB 4.13Å; W903-H905 HydrophobicContact CZ3-CB 3.54Å |
| 904 | V | 88.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.1 | -177.3 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | E862 L863 F865 F871 V895 E896 V897 | E862-V904 WeakPolarHBondContact CA-O 3.31Å; L863-V904 HydrophobicContact CB-CB 4.18Å; L863-V904 HydrophobicContact CD1-CB 4.46Å; L863-V904 HydrophobicContact CD1-CG1 4.41Å; L863-V904 PolarHBondContact N-O 3.01Å; L863-V904 PolarHBondContact O-N 2.83Å; F865-V904 HydrophobicContact CD2-CG2 4.34Å; F865-V904 HydrophobicContact CE2-CB 4.27Å; F865-V904 HydrophobicContact CE2-CG2 3.78Å; F871-V904 HydrophobicContact CB-CG2 3.73Å; F871-V904 HydrophobicContact CD1-CG2 4.24Å; F871-V904 HydrophobicContact CD2-CB 4.33Å; F871-V904 HydrophobicContact CD2-CG1 4.07Å; F871-V904 HydrophobicContact CD2-CG2 3.83Å; F871-V904 HydrophobicContact CE2-CG1 3.93Å; F871-V904 HydrophobicContact CG-CG1 4.48Å; F871-V904 HydrophobicContact CG-CG2 3.67Å; F871-V904 HydrophobicContact CZ-CG1 4.23Å; V895-V904 HydrophobicContact CB-CG1 4.02Å; V895-V904 HydrophobicContact CG1-CG1 3.35Å; E896-V904 WeakPolarHBondContact O-CA 3.47Å; V897-V904 HydrophobicContact CB-CG2 4.2Å; V897-V904 HydrophobicContact CG1-CG2 3.91Å; V897-V904 HydrophobicContact CG2-CG1 4.07Å; V897-V904 HydrophobicContact CG2-CG2 3.86Å |
| 905 | H | 84 | Confident | 80.7 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 106.5 | -170.7 | -179.6 | -99.9 | 0 | 0 | 0 | 112 | R860 V895 E896 W903 P907 | R860-H905 WeakPolarHBondContact CD-NE2 3.46Å; R860-H905 PolarHBondContact NH1-CD2 2.99Å; R860-H905 PolarHBondContact NH1-NE2 3.05Å; V895-H905 VanDerWaalsContact CG1-C 3.42Å; V895-H905 WeakPolarHBondContact CG1-O 3.41Å; E896-H905 PolarHBondContact O-N 2.9Å; W903-H905 HydrophobicContact CE3-CB 4.22Å; W903-H905 HydrophobicContact CH2-CB 3.51Å; W903-H905 AromaticContact CH2-CD2 3.77Å; W903-H905 AromaticContact CH2-CG 3.76Å; W903-H905 HydrophobicContact CZ2-CB 4.13Å; W903-H905 HydrophobicContact CZ3-CB 3.54Å; H905-P907 WeakPolarHBondContact O-CD 3.29Å |
| 906 | C | 87.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 107.9 | -178.5 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | R860 M861 L874 V895 I908 | R860-C906 CarbonylContact C-O 3.52Å; R860-C906 VanDerWaalsContact CA-O 3.31Å; R860-C906 WeakPolarHBondContact CA-O 3.36Å; M861-C906 HydrophobicContact CB-CB 4.26Å; M861-C906 PolarHBondContact N-O 2.96Å; M861-C906 PolarHBondContact O-N 2.83Å; L874-C906 HydrophobicContact CD2-CB 3.92Å; V895-C906 HydrophobicContact CG1-CB 3.72Å; V895-C906 HydrophobicContact CG2-CB 4.44Å; C906-I908 PolarHBondContact O-N 2.89Å |
| 907 | P | 82.2 | Confident | 77.7 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124.7 | 168.7 | 29.4 | -32.2 | 0 | 0 | 0 | 109.9 | I625 H905 | I625-P907 HydrophobicContact CD1-CB 4.3Å; H905-P907 WeakPolarHBondContact O-CD 3.29Å |
| 908 | I | 82.5 | Confident | 75.9 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 12% | 0.123 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -33.1 | -178.7 | -78.1 | 166.5 | 0 | 0 | 0 | 111.5 | I848 I859 M861 C906 L911 F931 | I848-I908 HydrophobicContact CD1-CD1 3.55Å; I859-I908 HydrophobicContact CB-CB 4.09Å; I859-I908 HydrophobicContact CB-CG2 3.99Å; I859-I908 HydrophobicContact CG2-CB 3.95Å; I859-I908 HydrophobicContact CG2-CD1 4.06Å; I859-I908 HydrophobicContact CG2-CG2 3.9Å; I859-I908 WeakPolarHBondContact O-CB 3.42Å; I859-I908 PolarHBondContact O-N 2.85Å; M861-I908 HydrophobicContact CB-CD1 3.87Å; M861-I908 HydrophobicContact CE-CD1 4Å; C906-I908 PolarHBondContact O-N 2.89Å; I908-L911 HydrophobicContact CG2-CD2 4.1Å; I908-L911 HydrophobicContact CG2-CG 4.39Å; I908-F931 HydrophobicContact CD1-CE2 4.26Å; I908-F931 HydrophobicContact CD1-CZ 4.05Å; I908-F931 HydrophobicContact CG1-CZ 3.89Å |
| 909 | G | 80.1 | Confident | 74.2 | Confident | 32 Ų | 32 | 74 Ų | 74 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.4 | -103.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G858 I859 | G858-G909 PolarHBondContact N-O 3.29Å; G858-G909 VanDerWaalsContact N-O 3.09Å; I859-G909 PolarHBondContact N-O 2.97Å; I859-G909 PolarHBondContact O-N 2.79Å |
| 910 | T | 78.6 | Confident | 72.7 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127.4 | -168.2 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | A856 Q857 | A856-T910 CarbonylContact O-C 3.6Å; A856-T910 VanDerWaalsContact O-CA 3.24Å; A856-T910 WeakPolarHBondContact O-CA 3.38Å; Q857-T910 HydrophobicContact CB-CG2 4.03Å; Q857-T910 HydrophobicContact CG-CG2 3.83Å |
| 911 | L | 82.6 | Confident | 71.3 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.2 | 171.3 | -58.3 | 176.2 | 0 | 0 | 0 | 109.4 | I848 N850 K855 A856 I859 I908 N928 Q929 | I848-L911 HydrophobicContact CB-CD1 4.17Å; I848-L911 HydrophobicContact CG2-CD1 3.54Å; N850-L911 HydrophobicContact CB-CB 4.14Å; N850-L911 PolarHBondContact ND2-O 3.14Å; K855-L911 CarbonylContact C-O 3.52Å; K855-L911 WeakPolarHBondContact CA-O 3.46Å; A856-L911 HydrophobicContact CB-CB 4.44Å; A856-L911 PolarHBondContact N-O 2.91Å; A856-L911 PolarHBondContact O-N 2.04Å; I859-L911 HydrophobicContact CD1-CB 3.71Å; I859-L911 HydrophobicContact CD1-CD1 3.82Å; I859-L911 HydrophobicContact CD1-CG 3.41Å; I859-L911 VanDerWaalsContact CD1-CG 3.41Å; I859-L911 VanDerWaalsContact CD1-N 3.34Å; I908-L911 HydrophobicContact CG2-CD2 4.1Å; I908-L911 HydrophobicContact CG2-CG 4.39Å; L911-N928 HydrophobicContact CB-CB 4.03Å; L911-N928 HydrophobicContact CD1-CB 4.24Å; L911-N928 HydrophobicContact CD2-CB 3.65Å; L911-N928 HydrophobicContact CG-CB 4.14Å; L911-Q929 HydrophobicContact CD2-CB 4.22Å; L911-Q929 HydrophobicContact CD2-CG 3.67Å |
| 912 | L | 81.5 | Confident | 69.8 | Low | 99 Ų | 99 | 77.4 Ų | 77.4 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 153.7 | 179 | -65.6 | 175 | 0 | 0 | 0 | 110.9 | N850 K855 N928 | N850-L912 PolarHBondContact ND2-O 3.22Å; K855-L912 HydrophobicContact CD-CD2 4.03Å; K855-L912 HydrophobicContact CG-CD2 4Å; L912-N928 PolarHBondContact O-ND2 3.01Å |
| 913 | P | 73.5 | Confident | 68.2 | Low | 35 Ų | 35 | 79.4 Ų | 79.4 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -69 | 165.2 | 168.8 | 33.5 | -35.1 | 0 | 0 | 0 | 110 | G852 I915 | G852-P913 VanDerWaalsContact O-CB 3.25Å; G852-P913 WeakPolarHBondContact O-CB 3.41Å; P913-I915 PolarHBondContact O-N 2.88Å |
| 914 | P | 69.9 | Low | 66.8 | Low | 40 Ų | 40 | 82.8 Ų | 82.8 | 26% | 0.26 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 135.4 | -179.3 | -16.2 | 31.7 | 0 | 0 | 0 | 110.5 | N850 Y851 I916 | N850-P914 WeakPolarHBondContact O-CD 3.49Å; N850-P914 WeakPolarHBondContact O-CG 3.36Å; Y851-P914 HydrophobicContact CD1-CG 4.32Å; P914-I916 PolarHBondContact O-N 2.61Å; P914-I916 VanDerWaalsContact O-N 3.12Å |
| 915 | I | 63.1 | Low | 65.7 | Low | 140 Ų | 140 | 85.5 Ų | 85.5 | 72% | 0.718 | 47% | 0.47 | S | S | * | . | trans | -79.7 | 93.9 | 171.8 | -52.6 | 174 | 0 | 0 | 0 | 107.3 | P913 L917 | P913-I915 PolarHBondContact O-N 2.88Å; I915-L917 HydrophobicContact CB-CD1 4.43Å; I915-L917 HydrophobicContact CG2-CD1 3.72Å; I915-L917 HydrophobicContact CG2-CG 4.24Å; I915-L917 PolarHBondContact O-N 2.9Å | ||
| 916 | I | 54.3 | Low | 65.3 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | trans | -72.1 | 95.6 | -179.6 | -54.4 | 174.6 | 0 | 0 | 0 | 109.5 | P914 S918 | P914-I916 PolarHBondContact O-N 2.61Å; P914-I916 VanDerWaalsContact O-N 3.12Å; I916-S918 PolarHBondContact O-N 2.85Å | ||
| 917 | L | 49.3 | Very low | 65 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | trans | -90.2 | 76.3 | 177.1 | -91.4 | 134.6 | 0 | 0 | 0 | 110.8 | I915 | I915-L917 HydrophobicContact CB-CD1 4.43Å; I915-L917 HydrophobicContact CG2-CD1 3.72Å; I915-L917 HydrophobicContact CG2-CG 4.24Å; I915-L917 PolarHBondContact O-N 2.9Å | ||
| 918 | S | 46.2 | Very low | 65.2 | Low | 92 Ų | 92 | 91.2 Ų | 91.2 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 57.9 | 95 | 162.5 | 57.4 | 0 | 0 | 0 | 0 | 118 | I916 S920 | I916-S918 PolarHBondContact O-N 2.85Å; S918-S920 VanDerWaalsContact C-N 3.31Å; S918-S920 PolarHBondContact O-N 2.88Å |
| 919 | N | 46.4 | Very low | 65.4 | Low | 165 Ų | 165 | 92.2 Ų | 92.2 | 88% | 0.882 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 48.4 | 30.8 | 141.7 | -89.6 | 31.5 | 0 | 0 | 0 | 119.2 | ||
| 920 | S | 47.7 | Very low | 65.9 | Low | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 49% | 0.486 | S | S | . | . | trans | -109.3 | 118.5 | 166.6 | 80.8 | 0 | 0 | 0 | 0 | 110.4 | S918 K922 E923 | S918-S920 VanDerWaalsContact C-N 3.31Å; S918-S920 PolarHBondContact O-N 2.88Å; S920-K922 PolarHBondContact O-N 3.34Å; S920-E923 PolarHBondContact O-N 2.76Å | ||
| 921 | D | 48 | Very low | 66.6 | Low | 170 Ų | 170 | 88.9 Ų | 88.9 | 91% | 0.909 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 20.6 | -168.1 | -61.5 | -48 | 0 | 0 | 0 | 115 | ||
| 922 | K | 47.8 | Very low | 67.2 | Low | 190 Ų | 190 | 90.2 Ų | 90.2 | 83% | 0.826 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.5 | 26.1 | -176.7 | -66.9 | -168.1 | 177.5 | -178.3 | 0 | 114.2 | S920 I924 | S920-K922 PolarHBondContact O-N 3.34Å; K922-I924 PolarHBondContact O-N 3.03Å |
| 923 | E | 51.4 | Low | 67.8 | Low | 92 Ų | 92 | 85.5 Ų | 85.5 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | trans | -62.4 | 123.1 | 172.1 | -71.8 | -165.7 | 127 | 0 | 0 | 111 | S920 I925 | S920-E923 PolarHBondContact O-N 2.76Å; E923-I925 PolarHBondContact O-N 3.02Å; E923-I925 VanDerWaalsContact O-N 3.17Å | ||
| 924 | I | 57.1 | Low | 68.7 | Low | 161 Ų | 161 | 84.5 Ų | 84.5 | 83% | 0.826 | 44% | 0.442 | S | S | * | . | trans | -75.3 | 102 | 169.1 | -61.8 | 171.6 | 0 | 0 | 0 | 106 | K922 E926 | K922-I924 PolarHBondContact O-N 3.03Å; I924-E926 PolarHBondContact O-N 3.33Å | ||
| 925 | I | 66.8 | Low | 69.8 | Low | 57 Ų | 57 | 82.7 Ų | 82.7 | 29% | 0.292 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -68 | 122.7 | 175.2 | -55.6 | 174.6 | 0 | 0 | 0 | 107.5 | Y849 Y851 E923 | Y849-I925 HydrophobicContact CD1-CG2 4.36Å; Y849-I925 WeakPolarHBondContact CE1-O 3.47Å; Y851-I925 HydrophobicContact CD1-CD1 3.92Å; Y851-I925 HydrophobicContact CE1-CB 4.17Å; Y851-I925 HydrophobicContact CE1-CD1 3.57Å; Y851-I925 HydrophobicContact CE1-CG1 4.45Å; Y851-I925 HydrophobicContact CE1-CG2 3.94Å; E923-I925 PolarHBondContact O-N 3.02Å; E923-I925 VanDerWaalsContact O-N 3.17Å |
| 926 | E | 74.9 | Confident | 71 | Confident | 145 Ų | 145 | 79.1 Ų | 79.1 | 68% | 0.678 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 146.3 | 174.2 | -64.9 | -170 | 147 | 0 | 0 | 110.5 | I924 | I924-E926 PolarHBondContact O-N 3.33Š|
| 927 | P | 81.6 | Confident | 72.5 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 139.8 | 174.7 | 27.3 | -32.8 | 0 | 0 | 0 | 109.9 | E847 Y849 Q929 R930 | E847-P927 HydrophobicContact CB-CB 3.96Å; E847-P927 HydrophobicContact CB-CG 4.37Å; E847-P927 HydrophobicContact CG-CB 4.48Å; E847-P927 HydrophobicContact CG-CG 4.35Å; Y849-P927 HydrophobicContact CD1-CB 4.3Å; Y849-P927 HydrophobicContact CD2-CB 4.41Å; Y849-P927 HydrophobicContact CE1-CB 3.82Å; Y849-P927 VanDerWaalsContact CE1-N 3.29Å; Y849-P927 HydrophobicContact CE2-CB 3.93Å; P927-Q929 PolarHBondContact O-N 2.87Å; P927-R930 HydrophobicContact CB-CG 4.36Å; P927-R930 HydrophobicContact CG-CG 3.62Å; P927-R930 VanDerWaalsContact CG-CZ 3.45Å |
| 928 | N | 85.2 | Confident | 73.8 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -63.3 | -33.5 | 176.7 | -66.7 | 104.5 | 0 | 0 | 0 | 111.6 | I848 N850 L911 L912 | I848-N928 PolarHBondContact O-N 2.87Å; N850-N928 PolarHBondContact N-OD1 3.16Å; L911-N928 HydrophobicContact CB-CB 4.03Å; L911-N928 HydrophobicContact CD1-CB 4.24Å; L911-N928 HydrophobicContact CD2-CB 3.65Å; L911-N928 HydrophobicContact CG-CB 4.14Å; L912-N928 PolarHBondContact O-ND2 3.01Å |
| 929 | Q | 88 | Confident | 74.9 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 150.6 | 173.8 | -74.1 | -179.4 | -20.7 | 0 | 0 | 111.2 | I848 L876 L911 P927 F931 | I848-Q929 PolarHBondContact N-O 2.98Å; I848-Q929 PolarHBondContact O-N 2.77Å; L876-Q929 HydrophobicContact CD1-CB 4.41Å; L876-Q929 HydrophobicContact CD1-CG 4.39Å; L911-Q929 HydrophobicContact CD2-CB 4.22Å; L911-Q929 HydrophobicContact CD2-CG 3.67Å; P927-Q929 PolarHBondContact O-N 2.87Å; Q929-F931 HydrophobicContact CB-CD2 4.44Å; Q929-F931 HydrophobicContact CB-CE2 3.61Å; Q929-F931 HydrophobicContact CB-CZ 4.11Å |
| 930 | R | 90.9 | Very high | 76.2 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 11% | 0.106 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.5 | 178.1 | -64.7 | 171.6 | 178.8 | -75.4 | -10 | 108.6 | I846 E847 E877 D879 P927 | I846-R930 CarbonylContact O-C 3.51Å; I846-R930 WeakPolarHBondContact O-CA 3.41Å; E847-R930 HydrophobicContact CG-CG 4.46Å; E847-R930 IonicContact OE1-CZ 3.57Å; E847-R930 IonicContact OE1-NH1 2.72Å; E847-R930 PolarHBondContact OE1-NH1 2.85Å; E847-R930 IonicContact OE1-NH2 2.66Å; E877-R930 HydrophobicContact CB-CB 3.77Å; E877-R930 HydrophobicContact CG-CB 4.42Å; E877-R930 PolarHBondContact N-O 2.87Å; E877-R930 WeakPolarHBondContact OE2-CD 3.48Å; D879-R930 IonicContact OD2-NE 2.99Å; P927-R930 HydrophobicContact CB-CG 4.36Å; P927-R930 HydrophobicContact CG-CG 3.62Å; P927-R930 VanDerWaalsContact CG-CZ 3.45Å |
| 931 | F | 93.1 | Very high | 77.1 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.4 | 176.7 | -57.4 | -100.3 | 0 | 0 | 0 | 111.3 | Q845 I846 I848 M861 L874 E875 L876 L893 I908 Q929 | Q845-F931 CarbonylContact C-O 3.54Å; Q845-F931 WeakPolarHBondContact CA-O 3.2Å; I846-F931 HydrophobicContact CB-CB 4.29Å; I846-F931 PolarHBondContact N-O 2.88Å; I846-F931 PolarHBondContact O-N 2.88Å; I848-F931 HydrophobicContact CD1-CD2 4.03Å; I848-F931 HydrophobicContact CD1-CE2 3.53Å; I848-F931 HydrophobicContact CD1-CZ 4.48Å; I848-F931 HydrophobicContact CG1-CD2 4.35Å; I848-F931 HydrophobicContact CG1-CE2 4.17Å; M861-F931 HydrophobicContact CE-CD1 4.14Å; M861-F931 HydrophobicContact CE-CD2 3.72Å; M861-F931 HydrophobicContact CE-CE1 4.24Å; M861-F931 HydrophobicContact CE-CE2 3.87Å; M861-F931 HydrophobicContact CE-CG 3.87Å; M861-F931 HydrophobicContact CE-CZ 4.12Å; L874-F931 HydrophobicContact CD1-CB 4Å; L874-F931 HydrophobicContact CD1-CD1 4.41Å; L874-F931 HydrophobicContact CD2-CD1 4.17Å; L874-F931 HydrophobicContact CG-CD1 4.19Å; E875-F931 CarbonylContact O-C 3.56Å; E875-F931 WeakPolarHBondContact O-CA 3.32Å; E875-F931 WeakPolarHBondContact O-CB 3.36Å; L876-F931 HydrophobicContact CD1-CD1 4.1Å; L876-F931 HydrophobicContact CD1-CE1 3.71Å; L876-F931 HydrophobicContact CD1-CE2 4.42Å; L876-F931 HydrophobicContact CD1-CZ 3.87Å; L893-F931 HydrophobicContact CD1-CD1 3.69Å; L893-F931 HydrophobicContact CD1-CE1 3.49Å; L893-F931 VanDerWaalsContact CD1-CE1 3.49Å; I908-F931 HydrophobicContact CD1-CE2 4.26Å; I908-F931 HydrophobicContact CD1-CZ 4.05Å; I908-F931 HydrophobicContact CG1-CZ 3.89Å; Q929-F931 HydrophobicContact CB-CD2 4.44Å; Q929-F931 HydrophobicContact CB-CE2 3.61Å; Q929-F931 HydrophobicContact CB-CZ 4.11Å |
| 932 | I | 93.9 | Very high | 77.8 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106 | 169.2 | -57.4 | 175.9 | 0 | 0 | 0 | 107.4 | I795 E875 | I795-I932 HydrophobicContact CD1-CG2 4.18Å; E875-I932 HydrophobicContact CB-CB 4.41Å; E875-I932 PolarHBondContact N-O 3.33Å; E875-I932 PolarHBondContact O-N 2.87Å |
| 933 | L | 94.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.7 | 172.1 | 171.9 | 58.5 | 0 | 0 | 0 | 109.1 | Q843 L844 I846 L863 F865 F871 L874 T935 V955 | Q843-L933 WeakPolarHBondContact CA-O 3.44Å; L844-L933 HydrophobicContact CB-CB 4.39Å; L844-L933 PolarHBondContact N-O 2.91Å; L844-L933 PolarHBondContact O-N 2.82Å; I846-L933 HydrophobicContact CD1-CB 3.89Å; I846-L933 HydrophobicContact CD1-CD2 4.15Å; L863-L933 HydrophobicContact CD1-CD1 3.8Å; L863-L933 HydrophobicContact CD1-CD2 3.88Å; L863-L933 HydrophobicContact CD1-CG 4.42Å; L863-L933 HydrophobicContact CD2-CD2 3.94Å; L863-L933 HydrophobicContact CG-CD2 4.48Å; F865-L933 HydrophobicContact CZ-CD1 4.23Å; F865-L933 HydrophobicContact CZ-CD2 4.27Å; F871-L933 HydrophobicContact CD2-CD1 3.77Å; F871-L933 HydrophobicContact CE2-CD1 3.81Å; L874-L933 HydrophobicContact CD1-CB 3.92Å; L874-L933 HydrophobicContact CD1-CD1 4.24Å; L933-T935 HydrophobicContact CD1-CG2 4.16Å; L933-T935 HydrophobicContact CD2-CG2 4.11Å; L933-T935 HydrophobicContact CG-CG2 3.76Å; L933-V955 HydrophobicContact CD2-CG2 4.32Å |
| 934 | S | 92.9 | Very high | 78.4 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.9 | 169.1 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | Q843 S872 R873 | Q843-S934 PolarHBondContact NE2-OG 3.44Å; S872-S934 WeakPolarHBondContact CA-O 3.25Å; S872-S934 VanDerWaalsContact CB-O 3.31Å; S872-S934 WeakPolarHBondContact CB-O 3.07Å; S872-S934 PolarHBondContact N-O 3.26Å; R873-S934 PolarHBondContact N-O 2.89Å; R873-S934 VanDerWaalsContact N-O 3.13Å; R873-S934 PolarHBondContact O-N 2.87Å |
| 935 | T | 92.5 | Very high | 78.3 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 164.4 | 179.4 | 72.8 | 0 | 0 | 0 | 0 | 110 | R841 P842 F865 L869 K870 L933 | R841-T935 VanDerWaalsContact CA-O 3.3Å; R841-T935 WeakPolarHBondContact CA-O 3.4Å; P842-T935 WeakPolarHBondContact CG-OG1 3.39Å; P842-T935 PolarHBondContact O-N 2.93Å; P842-T935 VanDerWaalsContact O-N 3.13Å; P842-T935 PolarHBondContact O-OG1 2.69Å; F865-T935 HydrophobicContact CE1-CG2 3.77Å; L869-T935 HydrophobicContact CD2-CG2 4.39Å; K870-T935 WeakPolarHBondContact O-CA 3.43Å; K870-T935 WeakPolarHBondContact O-CB 3.46Å; L933-T935 HydrophobicContact CD1-CG2 4.16Å; L933-T935 HydrophobicContact CD2-CG2 4.11Å; L933-T935 HydrophobicContact CG-CG2 3.76Å |
| 936 | Y | 89.7 | Confident | 78.1 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 26% | 0.255 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.7 | 170.7 | 76.2 | -79.8 | 0 | 0 | 0 | 111.1 | S840 K870 F871 E901 D938 | S840-Y936 CarbonylContact O-C 3.47Å; S840-Y936 WeakPolarHBondContact O-CA 3.02Å; K870-Y936 HydrophobicContact CB-CD1 3.74Å; K870-Y936 HydrophobicContact CB-CD2 4.33Å; K870-Y936 HydrophobicContact CB-CE1 3.32Å; K870-Y936 HydrophobicContact CB-CE2 3.96Å; K870-Y936 HydrophobicContact CB-CG 4.23Å; K870-Y936 VanDerWaalsContact CB-CZ 3.43Å; K870-Y936 HydrophobicContact CG-CE1 4.35Å; K870-Y936 HydrophobicContact CG-CE2 4.28Å; K870-Y936 PolarHBondContact N-O 3.2Å; K870-Y936 PolarHBondContact O-N 3.01Å; F871-Y936 VanDerWaalsContact O-CE1 3.3Å; F871-Y936 WeakPolarHBondContact O-CE1 3.39Å; E901-Y936 WeakPolarHBondContact OE2-CE1 3.16Å; E901-Y936 PolarHBondContact OE2-OH 2.94Å; Y936-D938 HydrophobicContact CD2-CB 4.5Å; Y936-D938 HydrophobicContact CE2-CB 3.93Å |
| 937 | Y | 85 | Confident | 77.7 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 108.9 | 173.6 | -159.5 | -57.9 | 0 | 0 | 0 | 107.6 | L832 S840 N868 F940 F949 A953 V979 | L832-Y937 HydrophobicContact CD1-CD2 4.17Å; S840-Y937 PolarHBondContact O-N 2.67Å; N868-Y937 HydrophobicContact CB-CD1 3.89Å; N868-Y937 HydrophobicContact CB-CE1 3.23Å; N868-Y937 HydrophobicContact CB-CE2 4.29Å; N868-Y937 VanDerWaalsContact CB-CZ 3.44Å; N868-Y937 WeakPolarHBondContact CB-OH 3.49Å; N868-Y937 PolarHBondContact ND2-OH 3.03Å; Y937-F940 HydrophobicContact CD1-CB 3.77Å; Y937-F940 AromaticContact CD1-CD2 3.62Å; Y937-F940 HydrophobicContact CD1-CD2 3.62Å; Y937-F940 HydrophobicContact CD1-CG 4.17Å; Y937-F940 AromaticContact CD2-CD2 3.83Å; Y937-F940 HydrophobicContact CD2-CD2 3.83Å; Y937-F940 HydrophobicContact CD2-CE2 4.25Å; Y937-F940 HydrophobicContact CE1-CD2 4.05Å; Y937-F940 HydrophobicContact CE2-CD2 4.27Å; Y937-F940 HydrophobicContact CG-CB 4.05Å; Y937-F940 AromaticContact CG-CD2 3.51Å; Y937-F940 HydrophobicContact CG-CD2 3.51Å; Y937-F940 HydrophobicContact CG-CE2 4.35Å; Y937-F940 HydrophobicContact CG-CG 4.17Å; Y937-F940 WeakPolarHBondContact O-CB 3.18Å; Y937-F940 PolarHBondContact O-N 3.09Å; Y937-F949 HydrophobicContact CE1-CD1 4.07Å; Y937-F949 AromaticContact CE1-CE1 3.91Å; Y937-F949 HydrophobicContact CE1-CE1 3.91Å; Y937-F949 AromaticContact CZ-CD1 3.69Å; Y937-F949 AromaticContact CZ-CE1 3.92Å; Y937-F949 WeakPolarHBondContact OH-CD1 3.42Å; Y937-A953 HydrophobicContact CD2-CB 4Å; Y937-A953 HydrophobicContact CE2-CB 3.5Å; Y937-A953 VanDerWaalsContact CE2-CB 3.5Å; Y937-V979 HydrophobicContact CE2-CG2 3.73Å |
| 938 | D | 75.5 | Confident | 77.4 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 142 | -178 | -177 | 34.9 | 0 | 0 | 0 | 110.8 | N868 K870 Y936 F940 | N868-D938 PolarHBondContact O-N 3.11Å; K870-D938 HydrophobicContact CG-CB 3.97Å; Y936-D938 HydrophobicContact CD2-CB 4.5Å; Y936-D938 HydrophobicContact CE2-CB 3.93Å; D938-F940 PolarHBondContact O-N 2.79Å |
| 939 | K | 70.2 | Confident | 77.1 | Confident | 122 Ų | 122 | 52.4 Ų | 52.4 | 53% | 0.53 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 8.3 | 179.3 | -62.3 | 170.3 | -168.6 | 172 | 0 | 116.8 | M941 L942 V947 | K939-M941 PolarHBondContact O-N 3.29Å; K939-L942 HydrophobicContact CB-CD1 3.8Å; K939-L942 HydrophobicContact CB-CG 4.07Å; K939-L942 HydrophobicContact CD-CD1 4Å; K939-L942 HydrophobicContact CG-CD1 3.6Å; K939-L942 HydrophobicContact CG-CG 4.27Å; K939-L942 PolarHBondContact O-N 3.14Å; K939-V947 HydrophobicContact CB-CG2 4Å; K939-V947 WeakPolarHBondContact O-CG2 3.09Å |
| 940 | F | 74.3 | Confident | 76.7 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -17.1 | -178.9 | -170.6 | -91.5 | 0 | 0 | 0 | 115.3 | E833 Y937 D938 F949 V979 | E833-F940 WeakPolarHBondContact O-CZ 3.04Å; Y937-F940 HydrophobicContact CD1-CB 3.77Å; Y937-F940 AromaticContact CD1-CD2 3.62Å; Y937-F940 HydrophobicContact CD1-CD2 3.62Å; Y937-F940 HydrophobicContact CD1-CG 4.17Å; Y937-F940 AromaticContact CD2-CD2 3.83Å; Y937-F940 HydrophobicContact CD2-CD2 3.83Å; Y937-F940 HydrophobicContact CD2-CE2 4.25Å; Y937-F940 HydrophobicContact CE1-CD2 4.05Å; Y937-F940 HydrophobicContact CE2-CD2 4.27Å; Y937-F940 HydrophobicContact CG-CB 4.05Å; Y937-F940 AromaticContact CG-CD2 3.51Å; Y937-F940 HydrophobicContact CG-CD2 3.51Å; Y937-F940 HydrophobicContact CG-CE2 4.35Å; Y937-F940 HydrophobicContact CG-CG 4.17Å; Y937-F940 WeakPolarHBondContact O-CB 3.18Å; Y937-F940 PolarHBondContact O-N 3.09Å; D938-F940 PolarHBondContact O-N 2.79Å; F940-F949 AromaticContact CD2-CE1 3.89Å; F940-F949 HydrophobicContact CD2-CE1 3.89Å; F940-F949 HydrophobicContact CE2-CE1 4.15Å; F940-V979 HydrophobicContact CE2-CG1 4Å; F940-V979 HydrophobicContact CE2-CG2 3.95Å; F940-V979 HydrophobicContact CZ-CG1 4.41Å |
| 941 | M | 66.4 | Low | 76.2 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 3.2 | -178.3 | -69.3 | -79.3 | 145.4 | 0 | 0 | 114.3 | G835 R837 K939 D943 | G835-M941 VanDerWaalsContact O-CE 3.22Å; G835-M941 WeakPolarHBondContact O-CE 3.47Å; R837-M941 HydrophobicContact CB-CE 4.22Å; R837-M941 HydrophobicContact CG-CE 3.63Å; R837-M941 HydrophobicContact CG-SD 3.61Å; K939-M941 PolarHBondContact O-N 3.29Å; M941-D943 PolarHBondContact O-N 3.02Å |
| 942 | L | 62 | Low | 75.7 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | trans | -74 | 121.8 | 175.1 | -67.1 | -173.9 | 0 | 0 | 0 | 109.6 | K939 D944 V947 | K939-L942 HydrophobicContact CB-CD1 3.8Å; K939-L942 HydrophobicContact CB-CG 4.07Å; K939-L942 HydrophobicContact CD-CD1 4Å; K939-L942 HydrophobicContact CG-CD1 3.6Å; K939-L942 HydrophobicContact CG-CG 4.27Å; K939-L942 PolarHBondContact O-N 3.14Å; L942-D944 PolarHBondContact O-N 3.35Å; L942-D944 VanDerWaalsContact O-N 3.12Å; L942-V947 HydrophobicContact CB-CG2 4.37Å | ||
| 943 | D | 57.1 | Low | 75.4 | Confident | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | trans | -73.7 | 3.5 | -174.7 | -81.3 | -54 | 0 | 0 | 0 | 114.4 | M941 N1037 K1040 | M941-D943 PolarHBondContact O-N 3.02Å; D943-N1037 PolarHBondContact OD2-ND2 2.85Å; D943-K1040 PolarHBondContact O-NZ 2.97Å | ||
| 944 | D | 54.4 | Low | 75.3 | Confident | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -94.9 | 144.6 | 178 | -70.2 | -39.2 | 0 | 0 | 0 | 111.9 | L942 Q946 | L942-D944 PolarHBondContact O-N 3.35Å; L942-D944 VanDerWaalsContact O-N 3.12Å; D944-Q946 HydrophobicContact CB-CG 4.32Å; D944-Q946 PolarHBondContact O-N 3.48Å |
| 945 | D | 56 | Low | 75.4 | Confident | 117 Ų | 117 | 60.3 Ų | 60.3 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 27.9 | -174.1 | -48.9 | -55.1 | 0 | 0 | 0 | 113.5 | K1040 | D945-K1040 IonicContact OD1-NZ 2.74Å; D945-K1040 PolarHBondContact OD1-NZ 2.7Å; D945-K1040 IonicContact OD2-NZ 2.84Å; D945-K1040 PolarHBondContact OD2-NZ 3.09Å |
| 946 | Q | 62.8 | Low | 75.4 | Confident | 173 Ų | 173 | 61 Ų | 61 | 81% | 0.808 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -14.6 | -178.8 | -62.1 | -166.4 | 7.5 | 0 | 0 | 114 | D944 D948 | D944-Q946 HydrophobicContact CB-CG 4.32Å; D944-Q946 PolarHBondContact O-N 3.48Å; Q946-D948 PolarHBondContact O-N 3.06Å |
| 947 | V | 66.9 | Low | 75.6 | Confident | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | trans | -80.3 | 109.1 | 177.6 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | K939 L942 F949 | K939-V947 HydrophobicContact CB-CG2 4Å; K939-V947 WeakPolarHBondContact O-CG2 3.09Å; L942-V947 HydrophobicContact CB-CG2 4.37Å; V947-F949 HydrophobicContact CB-CE2 3.89Å; V947-F949 HydrophobicContact CB-CZ 4.15Å; V947-F949 HydrophobicContact CG1-CD2 4.21Å; V947-F949 HydrophobicContact CG1-CE1 4.06Å; V947-F949 HydrophobicContact CG1-CE2 3.7Å; V947-F949 HydrophobicContact CG1-CZ 3.61Å; V947-F949 WeakPolarHBondContact O-CD2 3.07Å | ||
| 948 | D | 73.9 | Confident | 75.9 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | trans | -90.7 | 104 | 177.7 | -166.5 | -4.3 | 0 | 0 | 0 | 111 | N868 Q946 Q950 | N868-D948 PolarHBondContact ND2-O 3.26Å; Q946-D948 PolarHBondContact O-N 3.06Å; D948-Q950 PolarHBondContact O-N 3.18Å; D948-Q950 WeakPolarHBondContact OD1-CB 3.21Å; D948-Q950 WeakPolarHBondContact OD1-CG 3.44Å; D948-Q950 PolarHBondContact OD1-N 2.58Å | ||
| 949 | F | 80.3 | Confident | 76.6 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -77 | -5.4 | 178.2 | -59.7 | -93.8 | 0 | 0 | 0 | 112.4 | Y834 Y937 F940 V947 L951 G952 V979 P1273 K1274 V1276 | Y834-F949 HydrophobicContact CD2-CE2 4.43Å; Y834-F949 HydrophobicContact CD2-CZ 4Å; Y834-F949 HydrophobicContact CE2-CE2 4.11Å; Y834-F949 AromaticContact CE2-CZ 3.86Å; Y834-F949 HydrophobicContact CE2-CZ 3.86Å; Y937-F949 HydrophobicContact CE1-CD1 4.07Å; Y937-F949 AromaticContact CE1-CE1 3.91Å; Y937-F949 HydrophobicContact CE1-CE1 3.91Å; Y937-F949 AromaticContact CZ-CD1 3.69Å; Y937-F949 AromaticContact CZ-CE1 3.92Å; Y937-F949 WeakPolarHBondContact OH-CD1 3.42Å; F940-F949 AromaticContact CD2-CE1 3.89Å; F940-F949 HydrophobicContact CD2-CE1 3.89Å; F940-F949 HydrophobicContact CE2-CE1 4.15Å; V947-F949 HydrophobicContact CB-CE2 3.89Å; V947-F949 HydrophobicContact CB-CZ 4.15Å; V947-F949 HydrophobicContact CG1-CD2 4.21Å; V947-F949 HydrophobicContact CG1-CE1 4.06Å; V947-F949 HydrophobicContact CG1-CE2 3.7Å; V947-F949 HydrophobicContact CG1-CZ 3.61Å; V947-F949 WeakPolarHBondContact O-CD2 3.07Å; F949-L951 PolarHBondContact O-N 3.31Å; F949-G952 PolarHBondContact O-N 2.92Å; F949-V979 HydrophobicContact CD1-CB 3.87Å; F949-V979 HydrophobicContact CD1-CG1 4.07Å; F949-V979 HydrophobicContact CD1-CG2 3.6Å; F949-V979 HydrophobicContact CE1-CB 4.35Å; F949-V979 HydrophobicContact CE1-CG1 4.08Å; F949-V979 HydrophobicContact CE1-CG2 4.03Å; F949-P1273 HydrophobicContact CD2-CB 3.99Å; F949-P1273 HydrophobicContact CE2-CB 3.85Å; F949-P1273 HydrophobicContact CE2-CG 4.46Å; F949-K1274 VanDerWaalsContact CB-O 3.3Å; F949-K1274 WeakPolarHBondContact CB-O 3.14Å; F949-K1274 PolarHBondContact N-O 3.09Å; F949-V1276 HydrophobicContact CB-CG2 4.12Å; F949-V1276 HydrophobicContact CD1-CG2 4.22Å; F949-V1276 HydrophobicContact CD2-CG2 3.51Å; F949-V1276 HydrophobicContact CE2-CG2 3.93Å; F949-V1276 HydrophobicContact CG-CG2 3.68Å; F949-V1276 HydrophobicContact CZ-CG2 4.46Å |
| 950 | Q | 78.9 | Confident | 77.3 | Confident | 137 Ų | 137 | 53.4 Ų | 53.4 | 64% | 0.64 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -65.3 | -24.4 | 178.4 | -65.3 | -178.3 | 1.2 | 0 | 0 | 113.7 | D948 G952 | D948-Q950 PolarHBondContact O-N 3.18Å; D948-Q950 WeakPolarHBondContact OD1-CB 3.21Å; D948-Q950 WeakPolarHBondContact OD1-CG 3.44Å; D948-Q950 PolarHBondContact OD1-N 2.58Å; Q950-G952 PolarHBondContact O-N 3.34Å |
| 951 | L | 80.1 | Confident | 77.8 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -63.5 | -15.7 | 172.6 | -66.6 | 175 | 0 | 0 | 0 | 112.8 | N868 F949 | N868-L951 WeakPolarHBondContact OD1-CD1 3.27Å; F949-L951 PolarHBondContact O-N 3.31Å |
| 952 | G | 82.6 | Confident | 78 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | trans | 68.1 | -171.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G867 N868 F949 Q950 | G867-G952 WeakPolarHBondContact CA-O 3.23Å; N868-G952 PolarHBondContact N-O 3.34Å; F949-G952 PolarHBondContact O-N 2.92Å; Q950-G952 PolarHBondContact O-N 3.34Å | ||
| 953 | A | 88.3 | Confident | 78.7 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | H866 L869 Y937 N976 Y977 | H866-A953 CarbonylContact O-C 3.56Å; H866-A953 WeakPolarHBondContact O-CA 3.45Å; L869-A953 HydrophobicContact CB-CB 4.04Å; Y937-A953 HydrophobicContact CD2-CB 4Å; Y937-A953 HydrophobicContact CE2-CB 3.5Å; Y937-A953 VanDerWaalsContact CE2-CB 3.5Å; A953-N976 CarbonylContact O-C 3.54Å; A953-N976 WeakPolarHBondContact O-CA 3.3Å; A953-Y977 PolarHBondContact N-O 3.17Å; A953-Y977 PolarHBondContact O-N 2.69Å |
| 954 | G | 91.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | 167.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H866 F975 | H866-G954 PolarHBondContact N-O 3.02Å; H866-G954 PolarHBondContact O-N 3.47Å; H866-G954 VanDerWaalsContact O-N 3.11Å; G954-F975 CarbonylContact C-O 3.54Å; G954-F975 WeakPolarHBondContact CA-O 3.39Å |
| 955 | V | 94.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.7 | 172.8 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | L844 L863 Q864 F865 L869 L933 I957 R974 F975 | L844-V955 HydrophobicContact CD1-CG1 3.44Å; L844-V955 VanDerWaalsContact CD1-CG1 3.44Å; L863-V955 HydrophobicContact CB-CG2 4.34Å; L863-V955 HydrophobicContact CD2-CG2 4.5Å; Q864-V955 CarbonylContact O-C 3.57Å; Q864-V955 VanDerWaalsContact O-CA 3.3Å; Q864-V955 WeakPolarHBondContact O-CA 3.34Å; F865-V955 HydrophobicContact CD1-CB 4.13Å; F865-V955 HydrophobicContact CD1-CG2 4.1Å; F865-V955 HydrophobicContact CE1-CB 4.11Å; F865-V955 HydrophobicContact CE1-CG2 3.85Å; F865-V955 HydrophobicContact CE2-CG2 4.44Å; F865-V955 HydrophobicContact CG-CG2 4.5Å; F865-V955 HydrophobicContact CZ-CG2 4.01Å; L869-V955 HydrophobicContact CD2-CB 4.17Å; L869-V955 HydrophobicContact CD2-CG1 4.36Å; L933-V955 HydrophobicContact CD2-CG2 4.32Å; V955-I957 HydrophobicContact CG2-CG1 4.3Å; V955-R974 WeakPolarHBondContact O-CA 3.38Å; V955-F975 HydrophobicContact CG1-CB 4.37Å; V955-F975 PolarHBondContact N-O 3.36Å; V955-F975 PolarHBondContact O-N 2.94Å |
| 956 | T | 92.9 | Very high | 81.8 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.9 | 166.8 | -55 | 0 | 0 | 0 | 0 | 107.4 | P825 Q864 H866 R974 | P825-T956 HydrophobicContact CG-CG2 4.19Å; Q864-T956 PolarHBondContact N-O 2.96Å; Q864-T956 PolarHBondContact O-N 3.31Å; H866-T956 PolarHBondContact CD2-OG1 2.91Å; T956-R974 HydrophobicContact CG2-CB 4.43Å; T956-R974 WeakPolarHBondContact OG1-CD 3.45Å |
| 957 | I | 94.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.5 | 175.3 | -58.2 | 158.1 | 0 | 0 | 0 | 106.3 | L790 V792 L844 I846 M861 L863 V955 S972 I973 | L790-I957 HydrophobicContact CD1-CB 4.31Å; L790-I957 HydrophobicContact CD1-CG2 3.72Å; V792-I957 HydrophobicContact CB-CD1 4.33Å; V792-I957 HydrophobicContact CG1-CD1 3.69Å; V792-I957 HydrophobicContact CG2-CD1 3.7Å; L844-I957 HydrophobicContact CD1-CD1 3.96Å; I846-I957 HydrophobicContact CD1-CD1 3.7Å; I846-I957 HydrophobicContact CD1-CG1 4.14Å; I846-I957 HydrophobicContact CD1-CG2 4.23Å; I846-I957 HydrophobicContact CG1-CD1 3.95Å; I846-I957 HydrophobicContact CG2-CG2 4.32Å; M861-I957 HydrophobicContact CG-CG2 4.2Å; M861-I957 HydrophobicContact SD-CG2 4.23Å; L863-I957 HydrophobicContact CD2-CB 4.19Å; L863-I957 HydrophobicContact CD2-CG1 3.7Å; L863-I957 HydrophobicContact CD2-CG2 3.99Å; V955-I957 HydrophobicContact CG2-CG1 4.3Å; I957-S972 VanDerWaalsContact O-CA 3.24Å; I957-S972 WeakPolarHBondContact O-CA 3.35Å; I957-S972 PolarHBondContact O-OG 2.87Å; I957-I973 PolarHBondContact N-O 3.18Å; I957-I973 PolarHBondContact O-N 3.01Å; I957-I973 VanDerWaalsContact O-N 3.08Å |
| 958 | N | 91.7 | Very high | 82.7 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 123 | -179.9 | -174.4 | 33.8 | 0 | 0 | 0 | 109.3 | E862 N971 | E862-N958 HydrophobicContact CB-CB 4.38Å; E862-N958 PolarHBondContact N-O 2.87Å; E862-N958 PolarHBondContact O-N 3.12Å; N958-N971 WeakPolarHBondContact CA-O 3.42Å |
| 959 | V | 90.5 | Very high | 82.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.5 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | V788 L790 I848 I859 M861 N971 | V788-V959 HydrophobicContact CG1-CB 4.34Å; V788-V959 HydrophobicContact CG1-CG1 3.87Å; L790-V959 HydrophobicContact CD1-CG2 4.15Å; L790-V959 HydrophobicContact CD2-CG2 3.64Å; L790-V959 HydrophobicContact CG-CG2 4.07Å; I848-V959 HydrophobicContact CD1-CG2 4.07Å; I848-V959 HydrophobicContact CG2-CG1 4.49Å; I859-V959 HydrophobicContact CG2-CG1 3.7Å; M861-V959 HydrophobicContact CB-CG2 4.47Å; M861-V959 HydrophobicContact CG-CG2 4.18Å; V959-N971 PolarHBondContact N-O 3.23Å; V959-N971 VanDerWaalsContact O-CB 3.29Å; V959-N971 WeakPolarHBondContact O-CB 3.47Å |
| 960 | I | 85.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.8 | -179.3 | -62.9 | 170.5 | 0 | 0 | 0 | 108.2 | I859 R860 E862 | I859-I960 WeakPolarHBondContact CA-O 3.25Å; R860-I960 HydrophobicContact CG-CB 3.97Å; R860-I960 PolarHBondContact N-O 2.97Å; R860-I960 PolarHBondContact O-N 3.22Å; E862-I960 VanDerWaalsContact CD-CD1 3.49Å; E862-I960 HydrophobicContact CG-CD1 4.25Å; E862-I960 WeakPolarHBondContact OE2-CD1 3.13Å |
| 961 | T | 84.1 | Confident | 83.3 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | trans | -102.4 | 137.9 | 179 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | V788 I859 T963 | V788-T961 HydrophobicContact CB-CG2 4.14Å; V788-T961 HydrophobicContact CG2-CG2 3.54Å; I859-T961 HydrophobicContact CG1-CG2 4.34Å; T961-T963 VanDerWaalsContact C-N 3.33Å; T961-T963 VanDerWaalsContact CB-O 3.3Å; T961-T963 WeakPolarHBondContact CB-O 3.49Å; T961-T963 PolarHBondContact OG1-O 3.03Å | ||
| 962 | G | 70.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 34.3 Ų | 34.3 | 54% | 0.536 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -73.7 | -28.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q857 G858 | Q857-G962 CarbonylContact O-C 3.58Å; Q857-G962 VanDerWaalsContact O-CA 3.23Å; Q857-G962 WeakPolarHBondContact O-CA 3.19Å; Q857-G962 PolarHBondContact O-N 2.85Å; G858-G962 PolarHBondContact O-N 2.86Å |
| 963 | T | 76.2 | Confident | 84 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -75.4 | 141.1 | 166.6 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | C784 S786 A856 Q857 T961 D965 | C784-T963 HydrophobicContact CB-CG2 4.01Å; S786-T963 WeakPolarHBondContact CB-OG1 3.39Å; S786-T963 PolarHBondContact OG-O 3.27Å; S786-T963 PolarHBondContact OG-OG1 2.81Å; A856-T963 WeakPolarHBondContact CA-OG1 3.19Å; Q857-T963 HydrophobicContact CB-CG2 4.19Å; Q857-T963 PolarHBondContact N-OG1 3.11Å; Q857-T963 PolarHBondContact O-N 2.77Å; Q857-T963 VanDerWaalsContact O-N 3.16Å; T961-T963 VanDerWaalsContact C-N 3.33Å; T961-T963 VanDerWaalsContact CB-O 3.3Å; T961-T963 WeakPolarHBondContact CB-O 3.49Å; T961-T963 PolarHBondContact OG1-O 3.03Å; T963-D965 PolarHBondContact O-N 3.46Å |
| 964 | P | 77.8 | Confident | 84.1 | Confident | 86 Ų | 86 | 36.4 Ų | 36.4 | 56% | 0.558 | 21% | 0.213 | S | C | * | . | trans | -60 | 128 | 176.4 | -25.5 | 34.6 | 0 | 0 | 0 | 113 | K785 S786 | K785-P964 WeakPolarHBondContact CA-O 3.5Å; S786-P964 PolarHBondContact N-O 2.84Å; S786-P964 PolarHBondContact OG-O 3.41Å | ||
| 965 | D | 80.8 | Confident | 84.1 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | trans | -109 | 124.5 | 175.2 | -171.2 | -38.9 | 0 | 0 | 0 | 109.4 | V788 T963 Q967 N971 | V788-D965 PolarHBondContact N-OD2 2.74Å; T963-D965 PolarHBondContact O-N 3.46Å; D965-Q967 VanDerWaalsContact OD1-C 3.32Å; D965-Q967 PolarHBondContact OD1-N 2.76Å; D965-N971 PolarHBondContact OD2-ND2 2.7Å | ||
| 966 | P | 73 | Confident | 84 | Confident | 76 Ų | 76 | 38 Ų | 38 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -79.5 | -15.5 | -179 | 34.4 | -34.9 | 0 | 0 | 0 | 113.5 | S786 P968 | S786-P966 WeakPolarHBondContact O-CD 3.36Å; P966-P968 VanDerWaalsContact C-CD 3.42Å |
| 967 | Q | 76.5 | Confident | 83.9 | Confident | 112 Ų | 112 | 37.5 Ų | 37.5 | 52% | 0.523 | 22% | 0.218 | S | C | . | . | trans | -128 | 54.8 | -177.1 | -64.8 | -63.6 | -81.1 | 0 | 0 | 111.5 | D965 I969 S970 | D965-Q967 VanDerWaalsContact OD1-C 3.32Å; D965-Q967 PolarHBondContact OD1-N 2.76Å; Q967-I969 PolarHBondContact O-N 3.37Å; Q967-S970 PolarHBondContact O-N 2.63Å; Q967-S970 VanDerWaalsContact O-N 3.09Å; Q967-S970 PolarHBondContact O-OG 3.42Å | ||
| 968 | P | 74.2 | Confident | 83.6 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -62.2 | -6.1 | -173.8 | 29.6 | -38.5 | 0 | 0 | 0 | 114.7 | P966 S970 N971 | P966-P968 VanDerWaalsContact C-CD 3.42Å; P968-S970 VanDerWaalsContact C-N 3.32Å; P968-N971 WeakPolarHBondContact O-CB 3.45Å; P968-N971 PolarHBondContact O-N 3.26Å |
| 969 | I | 76 | Confident | 83.5 | Confident | 79 Ų | 79 | 38.8 Ų | 38.8 | 41% | 0.405 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -65.8 | -34.2 | 175.7 | -55.8 | 177.1 | 0 | 0 | 0 | 110.9 | F803 Y824 Q967 N971 | F803-I969 HydrophobicContact CE1-CG2 3.89Å; F803-I969 WeakPolarHBondContact CE2-O 3.44Å; F803-I969 HydrophobicContact CZ-CG2 3.91Å; F803-I969 WeakPolarHBondContact CZ-O 3.4Å; Y824-I969 HydrophobicContact CD1-CG2 3.28Å; Y824-I969 HydrophobicContact CD2-CG2 4.34Å; Y824-I969 HydrophobicContact CE1-CG2 3.21Å; Y824-I969 HydrophobicContact CE2-CG2 4.28Å; Y824-I969 HydrophobicContact CG-CG2 3.86Å; Q967-I969 PolarHBondContact O-N 3.37Å; I969-N971 PolarHBondContact O-N 3.25Å |
| 970 | S | 80.2 | Confident | 83.3 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -73.5 | -6.4 | 177.1 | 44 | 0 | 0 | 0 | 0 | 114.8 | V788 L790 Q967 P968 | V788-S970 PolarHBondContact O-OG 2.93Å; L790-S970 PolarHBondContact N-O 2.86Å; L790-S970 VanDerWaalsContact N-O 3.07Å; Q967-S970 PolarHBondContact O-N 2.63Å; Q967-S970 VanDerWaalsContact O-N 3.09Å; Q967-S970 PolarHBondContact O-OG 3.42Å; P968-S970 VanDerWaalsContact C-N 3.32Å |
| 971 | N | 87.6 | Confident | 83.4 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -89.5 | -0.2 | -175.7 | -66.9 | -18.5 | 0 | 0 | 0 | 114.4 | V788 L790 N958 V959 D965 P968 I969 | V788-N971 WeakPolarHBondContact CA-OD1 3.35Å; V788-N971 WeakPolarHBondContact CB-OD1 3.25Å; V788-N971 VanDerWaalsContact CG1-OD1 3.25Å; V788-N971 WeakPolarHBondContact CG1-OD1 3.4Å; V788-N971 PolarHBondContact O-OD1 3.22Å; L790-N971 WeakPolarHBondContact CD1-O 3.48Å; N958-N971 WeakPolarHBondContact CA-O 3.42Å; V959-N971 PolarHBondContact N-O 3.23Å; V959-N971 VanDerWaalsContact O-CB 3.29Å; V959-N971 WeakPolarHBondContact O-CB 3.47Å; D965-N971 PolarHBondContact OD2-ND2 2.7Å; P968-N971 WeakPolarHBondContact O-CB 3.45Å; P968-N971 PolarHBondContact O-N 3.26Å; I969-N971 PolarHBondContact O-N 3.25Å |
| 972 | S | 88.5 | Confident | 83.5 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.6 | 179.1 | -169.1 | 0 | 0 | 0 | 0 | 114.8 | P825 I957 | P825-S972 WeakPolarHBondContact CB-O 3.2Å; P825-S972 WeakPolarHBondContact CB-OG 3.33Å; I957-S972 VanDerWaalsContact O-CA 3.24Å; I957-S972 WeakPolarHBondContact O-CA 3.35Å; I957-S972 PolarHBondContact O-OG 2.87Å |
| 973 | I | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.9 | 178.5 | -65.4 | -177.7 | 0 | 0 | 0 | 108.5 | L790 V792 M801 I957 F975 | L790-I973 HydrophobicContact CB-CD1 3.8Å; L790-I973 HydrophobicContact CB-CG1 4.17Å; L790-I973 WeakPolarHBondContact O-CD1 3.2Å; V792-I973 HydrophobicContact CB-CG2 4.3Å; V792-I973 HydrophobicContact CG2-CB 4.34Å; V792-I973 HydrophobicContact CG2-CD1 4.18Å; V792-I973 HydrophobicContact CG2-CG2 4.37Å; M801-I973 HydrophobicContact CB-CD1 4.28Å; M801-I973 HydrophobicContact CB-CG2 3.83Å; M801-I973 HydrophobicContact CG-CG2 4.45Å; I957-I973 PolarHBondContact N-O 3.18Å; I957-I973 PolarHBondContact O-N 3.01Å; I957-I973 VanDerWaalsContact O-N 3.08Å; I973-F975 HydrophobicContact CG2-CD2 4.05Å; I973-F975 HydrophobicContact CG2-CE2 3.96Å |
| 974 | R | 90.7 | Very high | 84.9 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.2 | 178.9 | 178.4 | 174.8 | 170.8 | 174.8 | 0.3 | 111.8 | P825 L826 T827 T828 V955 T956 N976 | P825-R974 HydrophobicContact CG-CB 4.1Å; L826-R974 PolarHBondContact O-N 2.83Å; T827-R974 CarbonylContact C-O 3.55Å; T827-R974 WeakPolarHBondContact CA-O 3.46Å; T827-R974 HydrophobicContact CG2-CB 4.26Å; T827-R974 HydrophobicContact CG2-CG 4.5Å; T828-R974 PolarHBondContact N-O 2.93Å; V955-R974 WeakPolarHBondContact O-CA 3.38Å; T956-R974 HydrophobicContact CG2-CB 4.43Å; T956-R974 WeakPolarHBondContact OG1-CD 3.45Å; R974-N976 PolarHBondContact NE-OD1 3.45Å; R974-N976 PolarHBondContact NH2-OD1 3Å |
| 975 | F | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.4 | 167.5 | -87.8 | -108.7 | 0 | 0 | 0 | 109.2 | V792 D794 M801 T828 V830 L844 G954 V955 I973 Y977 | V792-F975 HydrophobicContact CB-CD2 4.46Å; V792-F975 HydrophobicContact CB-CE2 3.78Å; V792-F975 HydrophobicContact CG1-CD2 3.84Å; V792-F975 HydrophobicContact CG1-CE2 3.44Å; V792-F975 VanDerWaalsContact CG1-CE2 3.44Å; V792-F975 HydrophobicContact CG1-CZ 4.12Å; D794-F975 HydrophobicContact CB-CD1 4.21Å; D794-F975 HydrophobicContact CB-CE1 3.7Å; M801-F975 HydrophobicContact CB-CE2 3.93Å; M801-F975 HydrophobicContact CB-CZ 4.22Å; M801-F975 HydrophobicContact CG-CE2 3.76Å; M801-F975 HydrophobicContact CG-CZ 3.79Å; T828-F975 HydrophobicContact CG2-CD1 3.52Å; T828-F975 HydrophobicContact CG2-CD2 3.99Å; T828-F975 HydrophobicContact CG2-CE1 3.44Å; T828-F975 VanDerWaalsContact CG2-CE1 3.44Å; T828-F975 HydrophobicContact CG2-CE2 3.9Å; T828-F975 HydrophobicContact CG2-CG 3.8Å; T828-F975 HydrophobicContact CG2-CZ 3.65Å; V830-F975 HydrophobicContact CG2-CD1 3.94Å; V830-F975 HydrophobicContact CG2-CE1 4.08Å; L844-F975 HydrophobicContact CD1-CB 4.12Å; L844-F975 HydrophobicContact CD1-CD2 4.37Å; L844-F975 HydrophobicContact CD1-CG 4.17Å; L844-F975 HydrophobicContact CD2-CD1 3.78Å; L844-F975 HydrophobicContact CD2-CD2 4.41Å; L844-F975 HydrophobicContact CD2-CE1 4.02Å; L844-F975 HydrophobicContact CD2-CG 3.99Å; L844-F975 HydrophobicContact CD2-CZ 4.44Å; G954-F975 CarbonylContact C-O 3.54Å; G954-F975 WeakPolarHBondContact CA-O 3.39Å; V955-F975 HydrophobicContact CG1-CB 4.37Å; V955-F975 PolarHBondContact N-O 3.36Å; V955-F975 PolarHBondContact O-N 2.94Å; I973-F975 HydrophobicContact CG2-CD2 4.05Å; I973-F975 HydrophobicContact CG2-CE2 3.96Å; F975-Y977 HydrophobicContact CB-CE2 4.33Å |
| 976 | N | 91.3 | Very high | 86 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 142.2 | 169.7 | -67 | -41.4 | 0 | 0 | 0 | 108.7 | T828 T829 V830 A953 R974 | T828-N976 PolarHBondContact O-N 2.03Å; T829-N976 CarbonylContact C-O 3.59Å; T829-N976 VanDerWaalsContact CA-O 3.28Å; T829-N976 WeakPolarHBondContact CA-O 3.49Å; T829-N976 HydrophobicContact CG2-CB 4.11Å; V830-N976 PolarHBondContact N-O 2.81Å; A953-N976 CarbonylContact O-C 3.54Å; A953-N976 WeakPolarHBondContact O-CA 3.3Å; R974-N976 PolarHBondContact NE-OD1 3.45Å; R974-N976 PolarHBondContact NH2-OD1 3Å |
| 977 | Y | 91.6 | Very high | 86.9 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.5 | 176.1 | -67.9 | -79.9 | 0 | 0 | 0 | 109.3 | D794 V830 L832 P842 L844 L869 A953 F975 | D794-Y977 WeakPolarHBondContact OD2-CE1 3.36Å; D794-Y977 PolarHBondContact OD2-OH 2.96Å; V830-Y977 HydrophobicContact CB-CD1 3.73Å; V830-Y977 HydrophobicContact CB-CE1 3.74Å; V830-Y977 HydrophobicContact CG1-CD1 4.01Å; V830-Y977 HydrophobicContact CG1-CE1 3.85Å; V830-Y977 HydrophobicContact CG2-CE1 4.35Å; V830-Y977 WeakPolarHBondContact O-CA 3.45Å; L832-Y977 HydrophobicContact CD1-CD1 3.88Å; L832-Y977 HydrophobicContact CD1-CG 3.96Å; L832-Y977 HydrophobicContact CD2-CD1 3.66Å; L832-Y977 HydrophobicContact CD2-CE1 4.13Å; L832-Y977 HydrophobicContact CG-CD1 3.73Å; L832-Y977 HydrophobicContact CG-CG 4.23Å; P842-Y977 HydrophobicContact CB-CD1 4.37Å; P842-Y977 HydrophobicContact CB-CE1 3.62Å; P842-Y977 HydrophobicContact CB-CE2 4.35Å; P842-Y977 HydrophobicContact CG-CD1 4.36Å; P842-Y977 HydrophobicContact CG-CD2 4.5Å; P842-Y977 HydrophobicContact CG-CE1 4Å; P842-Y977 HydrophobicContact CG-CE2 4.16Å; L844-Y977 WeakPolarHBondContact CD2-OH 3.49Å; L869-Y977 HydrophobicContact CD1-CD2 4.45Å; L869-Y977 HydrophobicContact CD2-CD2 3.94Å; L869-Y977 HydrophobicContact CD2-CE2 3.98Å; A953-Y977 PolarHBondContact N-O 3.17Å; A953-Y977 PolarHBondContact O-N 2.69Å; F975-Y977 HydrophobicContact CB-CE2 4.33Å |
| 978 | Q | 88 | Confident | 87.5 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.7 | 174.3 | 63.7 | 178.8 | 6.3 | 0 | 0 | 109.8 | V830 D831 L832 I980 | V830-Q978 PolarHBondContact O-N 3.22Å; D831-Q978 WeakPolarHBondContact OD1-CG 3.38Å; D831-Q978 PolarHBondContact OD1-NE2 2.92Å; L832-Q978 PolarHBondContact N-O 2.89Å; Q978-I980 HydrophobicContact CG-CG2 4.43Å |
| 979 | V | 87.7 | Confident | 88.1 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.9 | -177.9 | -175 | 0 | 0 | 0 | 0 | 109.1 | L832 Y834 Y937 F940 F949 V1276 Q1277 | L832-V979 HydrophobicContact CB-CG2 4.45Å; L832-V979 WeakPolarHBondContact O-CA 3.15Å; Y834-V979 HydrophobicContact CD2-CG1 4.24Å; Y937-V979 HydrophobicContact CE2-CG2 3.73Å; F940-V979 HydrophobicContact CE2-CG1 4Å; F940-V979 HydrophobicContact CE2-CG2 3.95Å; F940-V979 HydrophobicContact CZ-CG1 4.41Å; F949-V979 HydrophobicContact CD1-CB 3.87Å; F949-V979 HydrophobicContact CD1-CG1 4.07Å; F949-V979 HydrophobicContact CD1-CG2 3.6Å; F949-V979 HydrophobicContact CE1-CB 4.35Å; F949-V979 HydrophobicContact CE1-CG1 4.08Å; F949-V979 HydrophobicContact CE1-CG2 4.03Å; V979-V1276 HydrophobicContact CB-CG2 4.36Å; V979-V1276 HydrophobicContact CG1-CG1 4.23Å; V979-V1276 HydrophobicContact CG1-CG2 4Å; V979-V1276 WeakPolarHBondContact O-CA 3.37Å; V979-Q1277 PolarHBondContact O-N 3.44Å |
| 980 | I | 87 | Confident | 88.3 | Confident | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.8 | -176.2 | 61.5 | 161.6 | 0 | 0 | 0 | 110.6 | D831 L832 Y834 Q978 R982 Q1277 | D831-I980 HydrophobicContact CB-CD1 3.73Å; D831-I980 HydrophobicContact CB-CG1 4.1Å; D831-I980 HydrophobicContact CB-CG2 4.28Å; L832-I980 WeakPolarHBondContact O-CG1 3.4Å; L832-I980 PolarHBondContact O-N 2.83Å; Y834-I980 WeakPolarHBondContact CB-O 3.34Å; Y834-I980 PolarHBondContact N-O 2.96Å; Q978-I980 HydrophobicContact CG-CG2 4.43Å; I980-R982 HydrophobicContact CD1-CG 4.14Å; I980-R982 VanDerWaalsContact CD1-NE 3.3Å; I980-R982 VanDerWaalsContact CD1-NH2 3.27Å; I980-Q1277 HydrophobicContact CG2-CB 4.19Å |
| 981 | H | 87.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | trans | -85.2 | 121.7 | 176.6 | -164.1 | -144.6 | 0 | 0 | 0 | 110.4 | Y834 Q1269 V1276 Q1277 A1279 | Y834-H981 AromaticContact CD1-CD2 3.91Å; H981-Q1269 PolarHBondContact CE1-O 3.26Å; H981-Q1269 PolarHBondContact ND1-OE1 3.06Å; H981-V1276 HydrophobicContact CB-CG1 3.88Å; H981-Q1277 VanDerWaalsContact CB-O 3.23Å; H981-Q1277 WeakPolarHBondContact CB-O 3.24Å; H981-Q1277 PolarHBondContact N-O 3.47Å; H981-A1279 WeakPolarHBondContact O-CB 3.34Å | ||
| 982 | R | 86.3 | Confident | 87.1 | Confident | 136 Ų | 136 | 42.7 Ų | 42.7 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | trans | -134.9 | 68.8 | 172.7 | -70 | -172.7 | 175.2 | 151.5 | 8.6 | 111.3 | E833 I980 P1035 | E833-R982 HydrophobicContact CG-CB 4.15Å; E833-R982 WeakPolarHBondContact OE1-CB 3.28Å; I980-R982 HydrophobicContact CD1-CG 4.14Å; I980-R982 VanDerWaalsContact CD1-NE 3.3Å; I980-R982 VanDerWaalsContact CD1-NH2 3.27Å; R982-P1035 WeakPolarHBondContact O-CD 3.21Å | ||
| 983 | P | 87.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.078 | 25% | 0.252 | C | S | . | . | trans | -67.3 | 143.4 | 174.2 | 31.3 | -35.6 | 0 | 0 | 0 | 110.1 | Y1032 L1039 Q1269 I1283 | P983-Y1032 HydrophobicContact CB-CE2 3.8Å; P983-L1039 HydrophobicContact CB-CD1 4.14Å; P983-L1039 HydrophobicContact CB-CD2 4.31Å; P983-Q1269 HydrophobicContact CG-CB 4.41Å; P983-I1283 HydrophobicContact CB-CD1 4.49Å; P983-I1283 HydrophobicContact CG-CD1 3.3Å; P983-I1283 HydrophobicContact CG-CG1 3.88Å; P983-I1283 HydrophobicContact CG-CG2 4.29Å; P983-I1283 WeakPolarHBondContact O-CG2 3.36Å | ||
| 984 | N | 88.3 | Confident | 84.6 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | trans | -117.3 | 120.6 | 175.3 | -173.3 | 1 | 0 | 0 | 0 | 108.9 | Y1032 M1033 G1034 | N984-Y1032 WeakPolarHBondContact O-CD2 3.28Å; N984-M1033 CarbonylContact O-C 3.53Å; N984-M1033 PolarHBondContact O-N 3.33Å; N984-G1034 PolarHBondContact O-N 3.45Å; N984-G1034 VanDerWaalsContact O-N 3.08Å | ||
| 985 | I | 90.3 | Very high | 83.3 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118 | -176.7 | -57.8 | 177.8 | 0 | 0 | 0 | 108.5 | I987 I1030 Y1032 L1039 V1267 I1283 | I985-I987 HydrophobicContact CG2-CG1 4.06Å; I985-I1030 HydrophobicContact CG2-CG2 3.84Å; I985-Y1032 HydrophobicContact CG1-CD2 4.14Å; I985-L1039 HydrophobicContact CD1-CD2 3.89Å; I985-L1039 HydrophobicContact CG1-CD2 4.47Å; I985-V1267 HydrophobicContact CD1-CB 4.2Å; I985-V1267 HydrophobicContact CD1-CG1 3.54Å; I985-I1283 HydrophobicContact CB-CG2 4.42Å; I985-I1283 HydrophobicContact CD1-CG2 4.24Å; I985-I1283 HydrophobicContact CG1-CG2 4.17Å |
| 986 | R | 91.5 | Very high | 82.4 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 45% | 0.445 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126 | 173.1 | 179.5 | 172.4 | 176.3 | -100.4 | -3.3 | 108.9 | E1031 M1033 | R986-E1031 HydrophobicContact CB-CB 4.38Å; R986-E1031 IonicContact CZ-OE2 2.67Å; R986-E1031 PolarHBondContact N-O 3.35Å; R986-E1031 IonicContact NH1-OE2 3.53Å; R986-E1031 PolarHBondContact NH1-OE2 3.07Å; R986-E1031 PolarHBondContact O-N 3.33Å; R986-M1033 HydrophobicContact CB-CG 4.12Å; R986-M1033 HydrophobicContact CB-SD 3.71Å; R986-M1033 WeakPolarHBondContact CD-SD 3.36Å; R986-M1033 HydrophobicContact CG-SD 4.24Å |
| 987 | I | 91.9 | Very high | 81.7 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.7 | 176.3 | -50 | 172 | 0 | 0 | 0 | 108 | I985 Q1029 I1030 I1265 V1267 F1286 | I985-I987 HydrophobicContact CG2-CG1 4.06Å; I987-Q1029 CarbonylContact C-O 3.55Å; I987-Q1029 WeakPolarHBondContact CA-O 3.41Å; I987-I1030 HydrophobicContact CG2-CG1 4.32Å; I987-I1265 HydrophobicContact CD1-CG2 4.39Å; I987-I1265 HydrophobicContact CG2-CG2 3.87Å; I987-V1267 HydrophobicContact CD1-CG2 3.64Å; I987-V1267 HydrophobicContact CG1-CG2 4.47Å; I987-F1286 HydrophobicContact CB-CB 3.81Å; I987-F1286 HydrophobicContact CB-CG 4.21Å; I987-F1286 HydrophobicContact CD1-CB 4.3Å; I987-F1286 HydrophobicContact CG2-CB 3.46Å; I987-F1286 VanDerWaalsContact CG2-CB 3.46Å; I987-F1286 HydrophobicContact CG2-CD1 4.07Å; I987-F1286 HydrophobicContact CG2-CG 3.79Å; I987-F1286 WeakPolarHBondContact O-CD2 3.48Å |
| 988 | S | 89.6 | Confident | 80.9 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 178.5 | -179.2 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | Q1029 | S988-Q1029 PolarHBondContact N-O 3.41Å; S988-Q1029 PolarHBondContact O-N 2.96Å |
| 989 | Y | 85.9 | Confident | 80.5 | Confident | 113 Ų | 113 | 62.2 Ų | 62.2 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 142.7 | 162.1 | -52.5 | -78.8 | 0 | 0 | 0 | 110.1 | I994 F1286 L1288 | Y989-I994 HydrophobicContact CD1-CD1 3.32Å; Y989-I994 HydrophobicContact CE1-CD1 4.02Å; Y989-I994 HydrophobicContact CG-CD1 4.09Å; Y989-F1286 HydrophobicContact CD1-CE1 4.43Å; Y989-F1286 HydrophobicContact CD2-CZ 4.1Å; Y989-F1286 HydrophobicContact CE1-CE1 4.21Å; Y989-F1286 HydrophobicContact CE1-CZ 4.21Å; Y989-F1286 HydrophobicContact CE2-CE1 4.48Å; Y989-F1286 AromaticContact CE2-CZ 3.72Å; Y989-F1286 HydrophobicContact CE2-CZ 3.72Å; Y989-F1286 HydrophobicContact CG-CZ 4.49Å; Y989-F1286 AromaticContact CZ-CZ 3.77Å; Y989-L1288 HydrophobicContact CD1-CD1 3.46Å; Y989-L1288 VanDerWaalsContact CD1-CD1 3.46Å; Y989-L1288 HydrophobicContact CE1-CD1 3.45Å; Y989-L1288 VanDerWaalsContact CE1-CD1 3.45Å |
| 990 | G | 81.5 | Confident | 80 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | trans | -78.3 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1027 | G990-I1027 PolarHBondContact N-O 3.34Š| ||
| 991 | P | 77.5 | Confident | 79.6 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -66.5 | 140.4 | -178.5 | 26.7 | -34.2 | 0 | 0 | 0 | 112.4 | L1239 | P991-L1239 HydrophobicContact CG-CD1 3.89Š|
| 992 | G | 65.7 | Low | 78.9 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 109.9 | 147.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 993 | E | 61 | Low | 78.4 | Confident | 182 Ų | 182 | 69.8 Ų | 69.8 | 85% | 0.85 | 38% | 0.38 | S | S | * | . | trans | -63.5 | 145.1 | 169.5 | -65.7 | -170.9 | 164.9 | 0 | 0 | 110.1 | P995 | E993-P995 WeakPolarHBondContact O-CD 3.4Š| ||
| 994 | I | 64.6 | Low | 77.7 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | trans | -98.2 | 84.5 | 167.7 | -60.1 | 168 | 0 | 0 | 0 | 106.6 | Y989 S996 L1288 Q1290 | Y989-I994 HydrophobicContact CD1-CD1 3.32Å; Y989-I994 HydrophobicContact CE1-CD1 4.02Å; Y989-I994 HydrophobicContact CG-CD1 4.09Å; I994-S996 PolarHBondContact O-N 2.91Å; I994-L1288 HydrophobicContact CD1-CD1 3.82Å; I994-Q1290 HydrophobicContact CG2-CB 4.09Å; I994-Q1290 HydrophobicContact CG2-CG 3.78Å | ||
| 995 | P | 63.3 | Low | 76.8 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 136.3 | 179.6 | 27.2 | -35.8 | 0 | 0 | 0 | 109.1 | E993 R997 Q1290 | E993-P995 WeakPolarHBondContact O-CD 3.4Å; P995-R997 HydrophobicContact CG-CG 4.47Å; P995-R997 PolarHBondContact O-N 2.8Å; P995-Q1290 PolarHBondContact O-NE2 2.9Å; P995-Q1290 VanDerWaalsContact O-NE2 3.12Å |
| 996 | S | 72.3 | Confident | 75.6 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 61% | 0.608 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63 | 118.6 | 161.6 | 55 | 0 | 0 | 0 | 0 | 108 | I994 T1291 | I994-S996 PolarHBondContact O-N 2.91Å; S996-T1291 CarbonylContact C-O 3.55Å; S996-T1291 WeakPolarHBondContact CA-O 3.42Å |
| 997 | R | 75.8 | Confident | 73.9 | Confident | 83 Ų | 83 | 73.8 Ų | 73.8 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.9 | -173.7 | -79.5 | -174.6 | 171.1 | 164.9 | 1.4 | 110.1 | P995 P1022 K1023 E1025 T1291 F1292 F1293 | P995-R997 HydrophobicContact CG-CG 4.47Å; P995-R997 PolarHBondContact O-N 2.8Å; R997-P1022 HydrophobicContact CB-CB 4.5Å; R997-K1023 PolarHBondContact NH1-O 3.13Å; R997-E1025 IonicContact NH1-OE2 3.35Å; R997-T1291 PolarHBondContact N-O 3.24Å; R997-T1291 VanDerWaalsContact N-O 3.09Å; R997-F1292 HydrophobicContact CB-CD1 3.79Å; R997-F1292 HydrophobicContact CB-CE1 3.87Å; R997-F1292 WeakPolarHBondContact O-CA 3.38Å; R997-F1293 PolarHBondContact O-N 2.84Å; R997-F1293 VanDerWaalsContact O-N 3.07Å |
| 998 | M | 76.6 | Confident | 72.1 | Confident | 113 Ų | 113 | 74.3 Ų | 74.3 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.2 | 174.9 | -177.2 | -175.4 | -68 | 0 | 0 | 110.3 | N1000 F1293 P1295 | M998-N1000 PolarHBondContact SD-OD1 2.89Å; M998-N1000 VanDerWaalsContact SD-OD1 3.33Å; M998-F1293 CarbonylContact C-O 3.49Å; M998-F1293 VanDerWaalsContact CA-O 3.32Å; M998-F1293 WeakPolarHBondContact CA-O 3.48Å; M998-F1293 HydrophobicContact CE-CD1 3.83Å; M998-F1293 HydrophobicContact CE-CE1 4.14Å; M998-F1293 HydrophobicContact CG-CD1 4.1Å; M998-P1295 HydrophobicContact CG-CG 4.14Å; M998-P1295 HydrophobicContact SD-CG 4.28Å |
| 999 | D | 78.4 | Confident | 70.3 | Confident | 19 Ų | 19 | 80.1 Ų | 80.1 | 10% | 0.102 | 44% | 0.442 | C | S | . | . | trans | -114.8 | 109.1 | 171.6 | -171.9 | -39.6 | 0 | 0 | 0 | 109.8 | R1001 P1022 F1293 F1294 | D999-R1001 VanDerWaalsContact C-N 3.31Å; D999-R1001 PolarHBondContact O-N 2.91Å; D999-R1001 WeakPolarHBondContact OD1-CB 3.2Å; D999-R1001 VanDerWaalsContact OD1-CG 3.27Å; D999-R1001 WeakPolarHBondContact OD1-CG 3.01Å; D999-R1001 IonicContact OD1-CZ 2.65Å; D999-R1001 PolarHBondContact OD1-N 2.81Å; D999-R1001 IonicContact OD1-NE 3.76Å; D999-R1001 PolarHBondContact OD1-NE 3.36Å; D999-R1001 IonicContact OD1-NH2 3.83Å; D999-R1001 IonicContact OD2-CZ 3.5Å; D999-R1001 IonicContact OD2-NE 3.16Å; D999-R1001 PolarHBondContact OD2-NE 2.94Å; D999-R1001 IonicContact OD2-NH2 2.88Å; D999-R1001 PolarHBondContact OD2-NH2 2.84Å; D999-P1022 WeakPolarHBondContact OD2-CD 3.21Å; D999-F1293 PolarHBondContact N-O 2.88Å; D999-F1294 HydrophobicContact CB-CD1 3.81Å; D999-F1294 HydrophobicContact CB-CE1 3.52Å; D999-F1294 HydrophobicContact CB-CZ 4Å | ||
| 1000 | N | 77.6 | Confident | 68.6 | Low | 100 Ų | 100 | 78.6 Ų | 78.6 | 54% | 0.535 | 45% | 0.447 | S | S | . | . | trans | -84.9 | 8.8 | -172.3 | -76.5 | -42.3 | 0 | 0 | 0 | 114.6 | M998 P1295 Q1296 | M998-N1000 PolarHBondContact SD-OD1 2.89Å; M998-N1000 VanDerWaalsContact SD-OD1 3.33Å; N1000-P1295 WeakPolarHBondContact OD1-CG 3.3Å; N1000-Q1296 WeakPolarHBondContact O-CG 3.21Å | ||
| 1001 | R | 79.4 | Confident | 67.2 | Low | 52 Ų | 52 | 86.5 Ų | 86.5 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | trans | -63.7 | 145.2 | 178.2 | 79.8 | -174.1 | 68 | -156.6 | -8 | 111.2 | D999 S1018 E1019 F1252 Q1296 | D999-R1001 VanDerWaalsContact C-N 3.31Å; D999-R1001 PolarHBondContact O-N 2.91Å; D999-R1001 WeakPolarHBondContact OD1-CB 3.2Å; D999-R1001 VanDerWaalsContact OD1-CG 3.27Å; D999-R1001 WeakPolarHBondContact OD1-CG 3.01Å; D999-R1001 IonicContact OD1-CZ 2.65Å; D999-R1001 PolarHBondContact OD1-N 2.81Å; D999-R1001 IonicContact OD1-NE 3.76Å; D999-R1001 PolarHBondContact OD1-NE 3.36Å; D999-R1001 IonicContact OD1-NH2 3.83Å; D999-R1001 IonicContact OD2-CZ 3.5Å; D999-R1001 IonicContact OD2-NE 3.16Å; D999-R1001 PolarHBondContact OD2-NE 2.94Å; D999-R1001 IonicContact OD2-NH2 2.88Å; D999-R1001 PolarHBondContact OD2-NH2 2.84Å; R1001-S1018 PolarHBondContact NH2-O 2.83Å; R1001-E1019 PolarHBondContact NH1-O 3.1Å; R1001-F1252 HydrophobicContact CG-CE2 3.51Å; R1001-F1252 HydrophobicContact CG-CZ 3.5Å; R1001-F1252 VanDerWaalsContact O-CZ 3.32Å; R1001-F1252 WeakPolarHBondContact O-CZ 3.32Å; R1001-Q1296 WeakPolarHBondContact O-CB 3.33Å | ||
| 1002 | S | 71.6 | Confident | 66.1 | Low | 82 Ų | 82 | 90.4 Ų | 90.4 | 57% | 0.573 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -98.6 | -18.3 | 178.7 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | F1252 | S1002-F1252 WeakPolarHBondContact O-CE1 3.37Š|
| 1003 | V | 76.1 | Confident | 66.2 | Low | 87 Ų | 87 | 91.5 Ų | 91.5 | 53% | 0.527 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -147.3 | 144.3 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | ||
| 1004 | P | 71.7 | Confident | 66.9 | Low | 34 Ų | 34 | 91 Ų | 91 | 22% | 0.221 | 47% | 0.471 | C | S | . | . | trans | -65.4 | 153 | 173 | 27.4 | -35.1 | 0 | 0 | 0 | 111.9 | K1006 R1249 F1252 | P1004-K1006 PolarHBondContact O-N 3.45Å; P1004-R1249 HydrophobicContact CB-CB 4.03Å; P1004-R1249 HydrophobicContact CB-CG 4.18Å; P1004-R1249 HydrophobicContact CG-CG 4.37Å; P1004-F1252 HydrophobicContact CB-CD2 4.37Å; P1004-F1252 HydrophobicContact CG-CB 4.14Å; P1004-F1252 HydrophobicContact CG-CG 4.31Å | ||
| 1005 | S | 70.7 | Confident | 67.7 | Low | 41 Ų | 41 | 88.4 Ų | 88.4 | 29% | 0.287 | 46% | 0.458 | S | S | . | . | trans | -58.4 | 130.6 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | S1007 E1019 | S1005-S1007 VanDerWaalsContact C-N 3.27Å; S1005-S1007 PolarHBondContact O-N 3.05Å; S1005-S1007 PolarHBondContact OG-N 3.41Å; S1005-E1019 WeakPolarHBondContact CB-OE2 3.27Å; S1005-E1019 PolarHBondContact OG-OE2 3.03Å | ||
| 1006 | K | 65.2 | Low | 68.7 | Low | 190 Ų | 190 | 88.2 Ų | 88.2 | 83% | 0.826 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.4 | -179.8 | -64.2 | -177.5 | 179.3 | 179.6 | 0 | 113.2 | P1004 M1008 | P1004-K1006 PolarHBondContact O-N 3.45Å; K1006-M1008 PolarHBondContact O-N 2.93Å |
| 1007 | S | 55 | Low | 69.3 | Low | 56 Ų | 56 | 84.1 Ų | 84.1 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22 | -161.6 | -166.6 | 0 | 0 | 0 | 0 | 116 | S1005 L1009 K1013 | S1005-S1007 VanDerWaalsContact C-N 3.27Å; S1005-S1007 PolarHBondContact O-N 3.05Å; S1005-S1007 PolarHBondContact OG-N 3.41Å; S1007-L1009 VanDerWaalsContact C-N 3.29Å; S1007-L1009 PolarHBondContact O-N 2.9Å; S1007-K1013 PolarHBondContact O-NZ 3.02Å |
| 1008 | M | 54.2 | Low | 69.5 | Low | 31 Ų | 31 | 82.3 Ų | 82.3 | 15% | 0.153 | 42% | 0.424 | C | S | . | . | trans | -79.7 | 28 | -165.3 | -74.4 | -160 | 157.8 | 0 | 0 | 117.3 | K1006 V1015 I1020 L1133 W1247 | K1006-M1008 PolarHBondContact O-N 2.93Å; M1008-V1015 HydrophobicContact CE-CB 4.36Å; M1008-V1015 HydrophobicContact CE-CG1 3.51Å; M1008-V1015 HydrophobicContact CE-CG2 3.92Å; M1008-I1020 HydrophobicContact CE-CD1 4.36Å; M1008-I1020 HydrophobicContact CE-CG1 3.72Å; M1008-L1133 HydrophobicContact CE-CD1 3.93Å; M1008-W1247 HydrophobicContact CE-CH2 3.94Å; M1008-W1247 HydrophobicContact CE-CZ3 4.13Å; M1008-W1247 HydrophobicContact SD-CH2 3.46Å; M1008-W1247 WeakPolarHBondContact SD-CH2 3.13Å; M1008-W1247 HydrophobicContact SD-CZ2 3.92Å; M1008-W1247 HydrophobicContact SD-CZ3 4.2Å | ||
| 1009 | L | 51.3 | Low | 69.8 | Low | 143 Ų | 143 | 80.1 Ų | 80.1 | 75% | 0.749 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -108.7 | 17.3 | -170.4 | -108.7 | 156.5 | 0 | 0 | 0 | 115.6 | S1007 | S1007-L1009 VanDerWaalsContact C-N 3.29Å; S1007-L1009 PolarHBondContact O-N 2.9Å |
| 1010 | S | 52.2 | Low | 70.1 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 56% | 0.559 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -148.1 | 159.8 | 171 | -165.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1011 | Q | 51 | Low | 70.5 | Confident | 177 Ų | 177 | 74.9 Ų | 74.9 | 83% | 0.827 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -59.2 | 148 | -167.3 | -67.6 | 156.7 | -53.1 | 0 | 0 | 113.8 | K1013 | Q1011-K1013 PolarHBondContact O-N 2.94Š|
| 1012 | Q | 54.3 | Low | 71 | Confident | 152 Ų | 152 | 73.2 Ų | 73.2 | 71% | 0.71 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 44 | 49.1 | 169.3 | -67.8 | -175.1 | -19.9 | 0 | 0 | 116.5 | ||
| 1013 | K | 68 | Low | 71.7 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | trans | -88.5 | 143.4 | 175.1 | -76.3 | -171 | 177 | -177.3 | 0 | 113.7 | S1007 Q1011 I1134 | S1007-K1013 PolarHBondContact O-NZ 3.02Å; Q1011-K1013 PolarHBondContact O-N 2.94Å; K1013-I1134 PolarHBondContact O-N 2.75Å | ||
| 1014 | R | 76.1 | Confident | 72.3 | Confident | 171 Ų | 171 | 68.1 Ų | 68.1 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 135.4 | 156.6 | -65.3 | 169.6 | 175.3 | -172 | 4.6 | 109.4 | I1134 M1136 | R1014-I1134 CarbonylContact C-O 3.52Å; R1014-I1134 WeakPolarHBondContact CA-O 3.46Å; R1014-I1134 HydrophobicContact CB-CB 4.49Å; R1014-I1134 HydrophobicContact CG-CB 4Å; R1014-I1134 HydrophobicContact CG-CD1 4.32Å; R1014-I1134 HydrophobicContact CG-CG2 3.85Å; R1014-M1136 HydrophobicContact CB-CE 4.27Å; R1014-M1136 HydrophobicContact CB-SD 4.08Å; R1014-M1136 VanDerWaalsContact CD-CE 3.48Å; R1014-M1136 HydrophobicContact CG-CE 3.84Å; R1014-M1136 HydrophobicContact CG-SD 4.31Å |
| 1015 | V | 80.9 | Confident | 73 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.6 | -174.1 | 171.6 | 0 | 0 | 0 | 0 | 108.9 | M1008 V1017 I1020 L1133 I1134 P1135 M1136 | M1008-V1015 HydrophobicContact CE-CB 4.36Å; M1008-V1015 HydrophobicContact CE-CG1 3.51Å; M1008-V1015 HydrophobicContact CE-CG2 3.92Å; V1015-V1017 PolarHBondContact O-N 2.91Å; V1015-I1020 HydrophobicContact CG1-CD1 3.98Å; V1015-I1020 HydrophobicContact CG1-CG1 3.8Å; V1015-L1133 HydrophobicContact CG2-CB 4.4Å; V1015-L1133 HydrophobicContact CG2-CD1 4.4Å; V1015-L1133 HydrophobicContact CG2-CD2 4.23Å; V1015-I1134 PolarHBondContact N-O 2.95Å; V1015-P1135 CarbonylContact O-C 3.52Å; V1015-P1135 WeakPolarHBondContact O-CA 3.33Å; V1015-M1136 PolarHBondContact O-N 3.02Å |
| 1016 | I | 83.7 | Confident | 74 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.9 | 169.8 | -55 | 176.6 | 0 | 0 | 0 | 107.5 | S1018 E1019 M1136 V1138 | I1016-S1018 WeakPolarHBondContact CG2-OG 3.38Å; I1016-S1018 PolarHBondContact O-N 2.93Å; I1016-S1018 VanDerWaalsContact O-N 3.14Å; I1016-E1019 HydrophobicContact CB-CG 4.32Å; I1016-E1019 VanDerWaalsContact O-CB 3.32Å; I1016-E1019 WeakPolarHBondContact O-CB 3.4Å; I1016-E1019 PolarHBondContact O-N 3.45Å; I1016-M1136 CarbonylContact C-O 3.55Å; I1016-M1136 VanDerWaalsContact CA-O 3.25Å; I1016-M1136 WeakPolarHBondContact CA-O 3.41Å; I1016-V1138 HydrophobicContact CD1-CG2 3.92Å; I1016-V1138 HydrophobicContact CG1-CG2 3.95Å; I1016-V1138 HydrophobicContact CG2-CG2 3.91Å |
| 1017 | V | 84.6 | Confident | 75.2 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -29.6 | -170.9 | -63.8 | 0 | 0 | 0 | 0 | 113 | V1015 E1019 I1020 F1069 P1135 M1136 D1137 W1245 | V1015-V1017 PolarHBondContact O-N 2.91Å; V1017-E1019 PolarHBondContact O-N 3.07Å; V1017-I1020 WeakPolarHBondContact O-CB 3.31Å; V1017-I1020 PolarHBondContact O-N 2.99Å; V1017-I1020 VanDerWaalsContact O-N 3.09Å; V1017-F1069 HydrophobicContact CG1-CE2 4.39Å; V1017-P1135 HydrophobicContact CG1-CB 3.54Å; V1017-M1136 PolarHBondContact N-O 3.4Å; V1017-D1137 HydrophobicContact CG2-CB 3.81Å; V1017-W1245 HydrophobicContact CB-CD2 4.42Å; V1017-W1245 HydrophobicContact CB-CG 4.42Å; V1017-W1245 HydrophobicContact CB-CZ2 4.45Å; V1017-W1245 HydrophobicContact CG1-CZ2 4.49Å; V1017-W1245 HydrophobicContact CG2-CZ2 4.39Å |
| 1018 | S | 80.4 | Confident | 76.9 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.5 | -20.8 | 172.8 | 62.5 | 0 | 0 | 0 | 0 | 114 | R1001 I1016 I1020 N1139 | R1001-S1018 PolarHBondContact NH2-O 2.83Å; I1016-S1018 WeakPolarHBondContact CG2-OG 3.38Å; I1016-S1018 PolarHBondContact O-N 2.93Å; I1016-S1018 VanDerWaalsContact O-N 3.14Å; S1018-I1020 VanDerWaalsContact C-N 3.31Å; S1018-N1139 VanDerWaalsContact CB-ND2 3.3Å; S1018-N1139 WeakPolarHBondContact CB-ND2 3.37Å; S1018-N1139 PolarHBondContact OG-ND2 3.19Å |
| 1019 | E | 82.7 | Confident | 78.7 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.4 | -24.3 | 172.4 | -71.9 | -171.4 | -139.1 | 0 | 0 | 112.7 | R1001 S1005 I1016 V1017 | R1001-E1019 PolarHBondContact NH1-O 3.1Å; S1005-E1019 WeakPolarHBondContact CB-OE2 3.27Å; S1005-E1019 PolarHBondContact OG-OE2 3.03Å; I1016-E1019 HydrophobicContact CB-CG 4.32Å; I1016-E1019 VanDerWaalsContact O-CB 3.32Å; I1016-E1019 WeakPolarHBondContact O-CB 3.4Å; I1016-E1019 PolarHBondContact O-N 3.45Å; V1017-E1019 PolarHBondContact O-N 3.07Å |
| 1020 | I | 85.7 | Confident | 80.7 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -50.9 | 175.9 | -59.6 | 175.5 | 0 | 0 | 0 | 109.6 | M1008 V1015 V1017 S1018 F1069 W1245 W1247 A1248 | M1008-I1020 HydrophobicContact CE-CD1 4.36Å; M1008-I1020 HydrophobicContact CE-CG1 3.72Å; V1015-I1020 HydrophobicContact CG1-CD1 3.98Å; V1015-I1020 HydrophobicContact CG1-CG1 3.8Å; V1017-I1020 WeakPolarHBondContact O-CB 3.31Å; V1017-I1020 PolarHBondContact O-N 2.99Å; V1017-I1020 VanDerWaalsContact O-N 3.09Å; S1018-I1020 VanDerWaalsContact C-N 3.31Å; I1020-F1069 HydrophobicContact CD1-CE2 3.69Å; I1020-F1069 HydrophobicContact CD1-CZ 3.72Å; I1020-W1245 HydrophobicContact CB-CB 4.34Å; I1020-W1245 HydrophobicContact CG2-CB 4.04Å; I1020-W1247 HydrophobicContact CG2-CD2 4.3Å; I1020-W1247 HydrophobicContact CG2-CE3 3.51Å; I1020-W1247 HydrophobicContact CG2-CZ3 4.04Å; I1020-A1248 VanDerWaalsContact O-CB 3.27Å; I1020-A1248 WeakPolarHBondContact O-CB 3.39Å; I1020-A1248 PolarHBondContact O-N 2.83Å |
| 1021 | G | 86.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | 162.2 | -168.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1246 | G1021-L1246 VanDerWaalsContact CA-O 3.25Å; G1021-L1246 WeakPolarHBondContact CA-O 3.43Å | ||
| 1022 | P | 88.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 141.2 | 177.6 | 28.3 | -33.9 | 0 | 0 | 0 | 110.8 | R997 D999 L1246 F1292 F1294 | R997-P1022 HydrophobicContact CB-CB 4.5Å; D999-P1022 WeakPolarHBondContact OD2-CD 3.21Å; P1022-L1246 HydrophobicContact CG-CB 3.99Å; P1022-L1246 HydrophobicContact CG-CD2 4.05Å; P1022-L1246 PolarHBondContact O-N 3.14Å; P1022-F1292 HydrophobicContact CB-CD1 3.97Å; P1022-F1292 HydrophobicContact CB-CE1 4.06Å; P1022-F1292 HydrophobicContact CG-CD1 3.61Å; P1022-F1292 HydrophobicContact CG-CE1 4.03Å; P1022-F1292 HydrophobicContact CG-CG 4.46Å; P1022-F1294 HydrophobicContact CG-CZ 4.05Å |
| 1023 | K | 87.2 | Confident | 86.1 | Confident | 59 Ų | 59 | 36.5 Ų | 36.5 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.2 | 171.5 | -172.2 | -175.1 | -175.1 | -160.2 | 0 | 109.3 | R997 E1025 W1245 | R997-K1023 PolarHBondContact NH1-O 3.13Å; K1023-E1025 HydrophobicContact CD-CG 4.15Å; K1023-E1025 WeakPolarHBondContact CD-OE2 3.35Å; K1023-E1025 WeakPolarHBondContact CE-OE1 3.45Å; K1023-E1025 VanDerWaalsContact CE-OE2 3.31Å; K1023-E1025 WeakPolarHBondContact CE-OE2 3.43Å; K1023-E1025 HydrophobicContact CG-CG 4.24Å; K1023-E1025 IonicContact NZ-OE1 3.19Å; K1023-E1025 PolarHBondContact NZ-OE1 2.81Å; K1023-E1025 IonicContact NZ-OE2 2.7Å; K1023-E1025 PolarHBondContact NZ-OE2 3.07Å; K1023-W1245 HydrophobicContact CD-CZ2 4.34Å; K1023-W1245 HydrophobicContact CG-CZ2 4.17Å |
| 1024 | V | 88.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.5 | 172 | -176 | 0 | 0 | 0 | 0 | 107.3 | H1026 L1066 T1243 G1244 L1246 L1261 F1292 | V1024-H1026 WeakPolarHBondContact CG1-CD2 3.45Å; V1024-H1026 WeakPolarHBondContact CG1-NE2 3.37Å; V1024-L1066 HydrophobicContact CB-CD1 3.83Å; V1024-L1066 HydrophobicContact CG1-CD1 4.3Å; V1024-L1066 HydrophobicContact CG2-CD1 3.43Å; V1024-L1066 VanDerWaalsContact CG2-CD1 3.43Å; V1024-T1243 WeakPolarHBondContact O-CA 3.27Å; V1024-G1244 PolarHBondContact N-O 2.87Å; V1024-G1244 PolarHBondContact O-N 2.04Å; V1024-G1244 VanDerWaalsContact O-N 3.11Å; V1024-L1246 HydrophobicContact CG2-CB 4.1Å; V1024-L1261 HydrophobicContact CB-CD2 4.39Å; V1024-L1261 HydrophobicContact CG1-CD2 3.57Å; V1024-L1261 HydrophobicContact CG2-CD2 4.02Å; V1024-F1292 HydrophobicContact CB-CZ 4.27Å; V1024-F1292 HydrophobicContact CG1-CZ 4.29Å; V1024-F1292 HydrophobicContact CG2-CE1 4.29Å; V1024-F1292 HydrophobicContact CG2-CE2 4.18Å; V1024-F1292 HydrophobicContact CG2-CZ 3.64Å |
| 1025 | E | 86.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 25.5 Ų | 25.5 | 21% | 0.21 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 101.6 | 174.8 | -84.1 | 177.3 | 119.8 | 0 | 0 | 108 | R997 K1023 K1241 T1243 | R997-E1025 IonicContact NH1-OE2 3.35Å; K1023-E1025 HydrophobicContact CD-CG 4.15Å; K1023-E1025 WeakPolarHBondContact CD-OE2 3.35Å; K1023-E1025 WeakPolarHBondContact CE-OE1 3.45Å; K1023-E1025 VanDerWaalsContact CE-OE2 3.31Å; K1023-E1025 WeakPolarHBondContact CE-OE2 3.43Å; K1023-E1025 HydrophobicContact CG-CG 4.24Å; K1023-E1025 IonicContact NZ-OE1 3.19Å; K1023-E1025 PolarHBondContact NZ-OE1 2.81Å; K1023-E1025 IonicContact NZ-OE2 2.7Å; K1023-E1025 PolarHBondContact NZ-OE2 3.07Å; E1025-K1241 WeakPolarHBondContact OE1-CE 3.38Å; E1025-K1241 IonicContact OE1-NZ 3.31Å; E1025-K1241 PolarHBondContact OE1-NZ 2.99Å; E1025-T1243 HydrophobicContact CG-CG2 4.09Å |
| 1026 | H | 90.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.6 | 179.9 | -81.4 | -152.2 | 0 | 0 | 0 | 107.8 | V1024 K1241 V1242 L1261 T1263 L1288 Q1290 | V1024-H1026 WeakPolarHBondContact CG1-CD2 3.45Å; V1024-H1026 WeakPolarHBondContact CG1-NE2 3.37Å; H1026-K1241 WeakPolarHBondContact O-CA 3.38Å; H1026-V1242 HydrophobicContact CB-CB 4.43Å; H1026-V1242 PolarHBondContact N-O 2.72Å; H1026-V1242 PolarHBondContact O-N 3.22Å; H1026-L1261 PolarHBondContact CE1-O 3.21Å; H1026-T1263 WeakPolarHBondContact ND1-CG2 3.13Å; H1026-T1263 PolarHBondContact ND1-OG1 3.22Å; H1026-L1288 HydrophobicContact CB-CD2 3.56Å; H1026-L1288 HydrophobicContact CB-CG 4.33Å; H1026-Q1290 VanDerWaalsContact NE2-CB 3.26Å; H1026-Q1290 WeakPolarHBondContact NE2-CB 3.5Å |
| 1027 | I | 90.2 | Very high | 87.2 | Confident | 48 Ų | 48 | 25.8 Ų | 25.8 | 25% | 0.246 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.8 | 177.7 | -50.1 | 179.4 | 0 | 0 | 0 | 107.5 | G990 L1239 I1240 K1241 | G990-I1027 PolarHBondContact N-O 3.34Å; I1027-L1239 HydrophobicContact CG2-CB 4.35Å; I1027-L1239 HydrophobicContact CG2-CD2 4.43Å; I1027-I1240 WeakPolarHBondContact CA-O 3.1Å; I1027-K1241 HydrophobicContact CG1-CG 4.33Å |
| 1028 | L | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.5 | 176.4 | -69 | 160.6 | 0 | 0 | 0 | 108.4 | V1046 L1239 I1240 I1265 F1286 L1288 | L1028-V1046 HydrophobicContact CD1-CG1 4.3Å; L1028-V1046 HydrophobicContact CD1-CG2 4.4Å; L1028-L1239 CarbonylContact O-C 3.48Å; L1028-L1239 WeakPolarHBondContact O-CA 3.19Å; L1028-I1240 HydrophobicContact CB-CB 4.37Å; L1028-I1240 PolarHBondContact N-O 3.46Å; L1028-I1240 PolarHBondContact O-N 3.02Å; L1028-I1265 HydrophobicContact CD1-CB 4.02Å; L1028-I1265 HydrophobicContact CD1-CD1 4.03Å; L1028-I1265 HydrophobicContact CD1-CG2 4.05Å; L1028-I1265 HydrophobicContact CD2-CG2 4Å; L1028-F1286 HydrophobicContact CD2-CD1 3.88Å; L1028-F1286 HydrophobicContact CD2-CE1 4.33Å; L1028-L1288 HydrophobicContact CD2-CB 3.73Å; L1028-L1288 HydrophobicContact CD2-CD2 3.56Å; L1028-L1288 HydrophobicContact CD2-CG 4.29Å; L1028-L1288 HydrophobicContact CG-CD2 3.69Å |
| 1029 | Q | 91.8 | Very high | 87.6 | Confident | 29 Ų | 29 | 26.4 Ų | 26.4 | 14% | 0.136 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.6 | 171.1 | 170.7 | 170.4 | -15.3 | 0 | 0 | 109.4 | I987 S988 P1237 L1239 | I987-Q1029 CarbonylContact C-O 3.55Å; I987-Q1029 WeakPolarHBondContact CA-O 3.41Å; S988-Q1029 PolarHBondContact N-O 3.41Å; S988-Q1029 PolarHBondContact O-N 2.96Å; Q1029-P1237 HydrophobicContact CG-CB 3.78Å; Q1029-L1239 HydrophobicContact CB-CD2 3.73Å; Q1029-L1239 HydrophobicContact CG-CD2 4.13Å |
| 1030 | I | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 122.9 | -174.7 | -55.2 | 171.2 | 0 | 0 | 0 | 107.6 | I985 I987 M1044 P1237 V1238 I1240 I1265 | I985-I1030 HydrophobicContact CG2-CG2 3.84Å; I987-I1030 HydrophobicContact CG2-CG1 4.32Å; I1030-M1044 HydrophobicContact CD1-CG 4.42Å; I1030-M1044 HydrophobicContact CD1-SD 3.32Å; I1030-M1044 WeakPolarHBondContact CD1-SD 3.27Å; I1030-M1044 HydrophobicContact CG2-SD 4.22Å; I1030-P1237 WeakPolarHBondContact O-CA 3.37Å; I1030-V1238 PolarHBondContact N-O 2.87Å; I1030-V1238 PolarHBondContact O-N 2.85Å; I1030-I1240 HydrophobicContact CD1-CD1 3.49Å; I1030-I1240 VanDerWaalsContact CD1-CD1 3.49Å; I1030-I1240 HydrophobicContact CD1-CG1 3.87Å; I1030-I1265 HydrophobicContact CD1-CD1 3.38Å; I1030-I1265 HydrophobicContact CG1-CD1 4.3Å |
| 1031 | E | 91.8 | Very high | 88 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 13% | 0.131 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 121.5 | -169.7 | -179.6 | 175 | -152.7 | 0 | 0 | 109.5 | R986 M1033 P1237 | R986-E1031 HydrophobicContact CB-CB 4.38Å; R986-E1031 IonicContact CZ-OE2 2.67Å; R986-E1031 PolarHBondContact N-O 3.35Å; R986-E1031 IonicContact NH1-OE2 3.53Å; R986-E1031 PolarHBondContact NH1-OE2 3.07Å; R986-E1031 PolarHBondContact O-N 3.33Å; E1031-M1033 HydrophobicContact CG-CG 4.08Å; E1031-M1033 PolarHBondContact O-N 3.04Å; E1031-P1237 HydrophobicContact CB-CB 4.38Å |
| 1032 | Y | 92.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113.6 | 174 | -176.7 | -116.2 | 0 | 0 | 0 | 109.6 | P983 N984 I985 G1034 S1036 L1039 K1234 N1235 | P983-Y1032 HydrophobicContact CB-CE2 3.8Å; N984-Y1032 WeakPolarHBondContact O-CD2 3.28Å; I985-Y1032 HydrophobicContact CG1-CD2 4.14Å; Y1032-G1034 VanDerWaalsContact CZ-CA 3.43Å; Y1032-G1034 WeakPolarHBondContact OH-CA 3.13Å; Y1032-S1036 WeakPolarHBondContact CE1-O 3.47Å; Y1032-S1036 WeakPolarHBondContact CE1-OG 3.22Å; Y1032-S1036 PolarHBondContact OH-OG 2.71Å; Y1032-L1039 HydrophobicContact CD1-CB 4.4Å; Y1032-L1039 HydrophobicContact CD2-CB 4.07Å; Y1032-L1039 HydrophobicContact CD2-CD2 4.01Å; Y1032-L1039 HydrophobicContact CE1-CB 4.45Å; Y1032-L1039 HydrophobicContact CE2-CB 4.11Å; Y1032-L1039 HydrophobicContact CE2-CD1 4.13Å; Y1032-L1039 HydrophobicContact CE2-CD2 3.99Å; Y1032-L1039 HydrophobicContact CE2-CG 4.32Å; Y1032-L1039 HydrophobicContact CG-CB 4.23Å; Y1032-K1234 HydrophobicContact CD1-CB 4.09Å; Y1032-K1234 WeakPolarHBondContact O-CA 3.42Å; Y1032-N1235 PolarHBondContact O-N 2.89Å |
| 1033 | M | 86.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 30 Ų | 30 | 42% | 0.424 | 15% | 0.152 | S | C | . | . | trans | -110.5 | 11.8 | 177.2 | -61.9 | -169.8 | 73.8 | 0 | 0 | 111.9 | N984 R986 E1031 | N984-M1033 CarbonylContact O-C 3.53Å; N984-M1033 PolarHBondContact O-N 3.33Å; R986-M1033 HydrophobicContact CB-CG 4.12Å; R986-M1033 HydrophobicContact CB-SD 3.71Å; R986-M1033 WeakPolarHBondContact CD-SD 3.36Å; R986-M1033 HydrophobicContact CG-SD 4.24Å; E1031-M1033 HydrophobicContact CG-CG 4.08Å; E1031-M1033 PolarHBondContact O-N 3.04Å | ||
| 1034 | G | 84.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -72.5 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N984 Y1032 K1234 | N984-G1034 PolarHBondContact O-N 3.45Å; N984-G1034 VanDerWaalsContact O-N 3.08Å; Y1032-G1034 VanDerWaalsContact CZ-CA 3.43Å; Y1032-G1034 WeakPolarHBondContact OH-CA 3.13Å; G1034-K1234 WeakPolarHBondContact O-CE 3.37Å; G1034-K1234 PolarHBondContact O-NZ 3.48Å |
| 1035 | P | 81.6 | Confident | 89 | Confident | 24 Ų | 24 | 29 Ų | 29 | 16% | 0.156 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -62.2 | -46.3 | -175.2 | 22.5 | -34.1 | 0 | 0 | 0 | 113.8 | E833 Y834 G835 N836 R982 K1234 | E833-P1035 HydrophobicContact CG-CB 4.37Å; E833-P1035 HydrophobicContact CG-CG 3.95Å; Y834-P1035 WeakPolarHBondContact O-CB 3.25Å; Y834-P1035 WeakPolarHBondContact O-CG 3.26Å; G835-P1035 CarbonylContact O-C 3.6Å; N836-P1035 HydrophobicContact CB-CB 3.93Å; R982-P1035 WeakPolarHBondContact O-CD 3.21Å; P1035-K1234 PolarHBondContact O-NZ 3.09Å |
| 1036 | S | 83.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -67.8 | 169.6 | -177.2 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | Y1032 K1038 K1234 | Y1032-S1036 WeakPolarHBondContact CE1-O 3.47Å; Y1032-S1036 WeakPolarHBondContact CE1-OG 3.22Å; Y1032-S1036 PolarHBondContact OH-OG 2.71Å; S1036-K1038 PolarHBondContact OG-O 3.44Å; S1036-K1234 WeakPolarHBondContact O-CD 3.18Å |
| 1037 | N | 84 | Confident | 89.6 | Confident | 67 Ų | 67 | 28.7 Ų | 28.7 | 36% | 0.358 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -72.6 | -29 | 178.3 | -65.1 | -29 | 0 | 0 | 0 | 113.2 | D943 K1234 | D943-N1037 PolarHBondContact OD2-ND2 2.85Å; N1037-K1234 WeakPolarHBondContact O-CB 3.44Å; N1037-K1234 PolarHBondContact O-N 3.32Å |
| 1038 | K | 86 | Confident | 89.8 | Confident | 55 Ų | 55 | 26.4 Ų | 26.4 | 24% | 0.239 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 157.8 | 180 | 54.7 | 174.6 | 170.4 | 176.6 | 0 | 111.7 | S1036 E1231 L1232 | S1036-K1038 PolarHBondContact OG-O 3.44Å; K1038-E1231 HydrophobicContact CD-CG 4.44Å; K1038-E1231 WeakPolarHBondContact CD-OE2 3.43Å; K1038-E1231 IonicContact NZ-OE1 2.72Å; K1038-E1231 PolarHBondContact NZ-OE1 2.81Å; K1038-E1231 IonicContact NZ-OE2 3.55Å; K1038-E1231 PolarHBondContact NZ-OE2 3.03Å; K1038-L1232 CarbonylContact C-O 3.39Å; K1038-L1232 VanDerWaalsContact CA-O 3.32Å; K1038-L1232 WeakPolarHBondContact CA-O 3.18Å |
| 1039 | L | 86.4 | Confident | 89.8 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.5 | 171.8 | -159.1 | 66.4 | 0 | 0 | 0 | 109.1 | P983 I985 Y1032 V1042 L1232 Q1269 | P983-L1039 HydrophobicContact CB-CD1 4.14Å; P983-L1039 HydrophobicContact CB-CD2 4.31Å; I985-L1039 HydrophobicContact CD1-CD2 3.89Å; I985-L1039 HydrophobicContact CG1-CD2 4.47Å; Y1032-L1039 HydrophobicContact CD1-CB 4.4Å; Y1032-L1039 HydrophobicContact CD2-CB 4.07Å; Y1032-L1039 HydrophobicContact CD2-CD2 4.01Å; Y1032-L1039 HydrophobicContact CE1-CB 4.45Å; Y1032-L1039 HydrophobicContact CE2-CB 4.11Å; Y1032-L1039 HydrophobicContact CE2-CD1 4.13Å; Y1032-L1039 HydrophobicContact CE2-CD2 3.99Å; Y1032-L1039 HydrophobicContact CE2-CG 4.32Å; Y1032-L1039 HydrophobicContact CG-CB 4.23Å; L1039-V1042 HydrophobicContact CB-CG2 3.95Å; L1039-V1042 HydrophobicContact CD2-CG2 3.72Å; L1039-V1042 HydrophobicContact CG-CG2 3.75Å; L1039-L1232 HydrophobicContact CB-CB 4.33Å; L1039-L1232 PolarHBondContact N-O 3.32Å; L1039-L1232 PolarHBondContact O-N 2.93Å; L1039-Q1269 WeakPolarHBondContact CD1-O 3.44Å |
| 1040 | K | 87.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 25.9 Ų | 25.9 | 17% | 0.17 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 151.9 | -177.2 | -62.4 | 177.5 | -174.4 | 170.2 | 0 | 111.4 | D943 D945 V1042 D1230 G1270 S1271 | D943-K1040 PolarHBondContact O-NZ 2.97Å; D945-K1040 IonicContact OD1-NZ 2.74Å; D945-K1040 PolarHBondContact OD1-NZ 2.7Å; D945-K1040 IonicContact OD2-NZ 2.84Å; D945-K1040 PolarHBondContact OD2-NZ 3.09Å; K1040-V1042 PolarHBondContact O-N 3.43Å; K1040-D1230 CarbonylContact C-O 3.58Å; K1040-D1230 WeakPolarHBondContact CA-O 3.07Å; K1040-G1270 CarbonylContact O-C 3.49Å; K1040-G1270 WeakPolarHBondContact O-CA 3.24Å; K1040-S1271 PolarHBondContact O-N 3.16Å |
| 1041 | N | 89 | Confident | 89.7 | Confident | 77 Ų | 77 | 27.4 Ų | 27.4 | 41% | 0.412 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.4 | 48.8 | 173 | -62.7 | -9.6 | 0 | 0 | 0 | 115 | D1230 G1270 S1271 | N1041-D1230 PolarHBondContact N-O 3.38Å; N1041-G1270 WeakPolarHBondContact O-CA 3.33Å; N1041-S1271 WeakPolarHBondContact CB-OG 3.33Å; N1041-S1271 PolarHBondContact ND2-OG 3.45Å |
| 1042 | V | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.4 | -178.1 | -173.4 | 0 | 0 | 0 | 0 | 110 | L1039 K1040 M1044 H1228 V1229 L1232 V1267 | L1039-V1042 HydrophobicContact CB-CG2 3.95Å; L1039-V1042 HydrophobicContact CD2-CG2 3.72Å; L1039-V1042 HydrophobicContact CG-CG2 3.75Å; K1040-V1042 PolarHBondContact O-N 3.43Å; V1042-M1044 HydrophobicContact CG1-CG 4.09Å; V1042-H1228 WeakPolarHBondContact O-CA 3.5Å; V1042-H1228 PolarHBondContact O-ND1 2.84Å; V1042-V1229 PolarHBondContact N-O 3.41Å; V1042-V1229 PolarHBondContact O-N 3.37Å; V1042-L1232 HydrophobicContact CB-CD1 3.82Å; V1042-L1232 HydrophobicContact CG1-CD1 3.81Å; V1042-L1232 HydrophobicContact CG2-CB 4.16Å; V1042-L1232 HydrophobicContact CG2-CD1 3.83Å; V1042-V1267 HydrophobicContact CG1-CG1 3.5Å |
| 1043 | T | 93.3 | Very high | 89.1 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 33% | 0.331 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.4 | 172.3 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | C1227 H1228 N1268 | T1043-C1227 WeakPolarHBondContact CA-O 3.43Å; T1043-H1228 WeakPolarHBondContact CG2-ND1 3.4Å; T1043-N1268 PolarHBondContact N-OD1 3.05Å; T1043-N1268 PolarHBondContact O-N 2.61Å; T1043-N1268 PolarHBondContact O-OD1 3.27Å; T1043-N1268 VanDerWaalsContact O-OD1 3.09Å; T1043-N1268 PolarHBondContact OG1-ND2 3.01Å; T1043-N1268 PolarHBondContact OG1-OD1 3.5Å |
| 1044 | M | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.6 | -175.4 | -60.1 | 168.4 | -72 | 0 | 0 | 107.8 | I1030 V1042 C1227 V1229 I1240 I1265 S1266 V1267 | I1030-M1044 HydrophobicContact CD1-CG 4.42Å; I1030-M1044 HydrophobicContact CD1-SD 3.32Å; I1030-M1044 WeakPolarHBondContact CD1-SD 3.27Å; I1030-M1044 HydrophobicContact CG2-SD 4.22Å; V1042-M1044 HydrophobicContact CG1-CG 4.09Å; M1044-C1227 HydrophobicContact CB-CB 4.39Å; M1044-C1227 HydrophobicContact CE-CB 4.24Å; M1044-C1227 PolarHBondContact N-O 3.15Å; M1044-C1227 PolarHBondContact O-N 2.95Å; M1044-V1229 HydrophobicContact CE-CB 4.12Å; M1044-V1229 HydrophobicContact CE-CG2 3.45Å; M1044-V1229 VanDerWaalsContact CE-CG2 3.45Å; M1044-I1240 HydrophobicContact CB-CD1 4.2Å; M1044-I1240 HydrophobicContact CE-CD1 3.89Å; M1044-I1240 HydrophobicContact SD-CD1 3.87Å; M1044-I1265 HydrophobicContact CB-CD1 4.25Å; M1044-S1266 CarbonylContact C-O 3.57Å; M1044-S1266 WeakPolarHBondContact CA-O 3.41Å; M1044-V1267 HydrophobicContact CG-CB 4.44Å; M1044-V1267 HydrophobicContact CG-CG1 3.87Å; M1044-V1267 HydrophobicContact CG-CG2 4.01Å |
| 1045 | N | 94.6 | Very high | 88.2 | Confident | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.6 | -179.4 | -170.4 | -6.1 | 0 | 0 | 0 | 109.6 | E1224 I1265 S1266 | N1045-E1224 PolarHBondContact ND2-OE1 2.87Å; N1045-E1224 VanDerWaalsContact OD1-CG 3.24Å; N1045-E1224 WeakPolarHBondContact OD1-CG 3.29Å; N1045-I1265 CarbonylContact O-C 3.36Å; N1045-I1265 WeakPolarHBondContact O-CA 3.39Å; N1045-S1266 PolarHBondContact N-O 2.99Å; N1045-S1266 PolarHBondContact O-N 3.31Å; N1045-S1266 PolarHBondContact O-OG 3.44Å |
| 1046 | V | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.3 | -179.5 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | L1028 V1048 I1225 I1240 V1242 I1264 I1265 | L1028-V1046 HydrophobicContact CD1-CG1 4.3Å; L1028-V1046 HydrophobicContact CD1-CG2 4.4Å; V1046-V1048 HydrophobicContact CG1-CG2 4.14Å; V1046-I1225 HydrophobicContact CB-CB 4.22Å; V1046-I1225 PolarHBondContact N-O 2.84Å; V1046-I1225 WeakPolarHBondContact O-CB 3.32Å; V1046-I1225 PolarHBondContact O-N 3.44Å; V1046-I1240 HydrophobicContact CG2-CD1 4.48Å; V1046-V1242 HydrophobicContact CG1-CG2 4.32Å; V1046-I1264 CarbonylContact C-O 3.52Å; V1046-I1264 VanDerWaalsContact CA-O 3.29Å; V1046-I1264 WeakPolarHBondContact CA-O 3.1Å; V1046-I1265 HydrophobicContact CG2-CB 4.11Å; V1046-I1265 HydrophobicContact CG2-CD1 3.83Å; V1046-I1265 HydrophobicContact CG2-CG1 3.86Å |
| 1047 | L | 95.4 | Very high | 87.4 | Confident | 41 Ų | 41 | 34.8 Ų | 34.8 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.9 | 178.5 | -60.1 | 176.7 | 0 | 0 | 0 | 110.7 | C1209 A1223 E1224 T1263 I1264 | L1047-C1209 HydrophobicContact CB-CB 4.15Å; L1047-C1209 HydrophobicContact CD1-CB 4.46Å; L1047-A1223 WeakPolarHBondContact CA-O 3.35Å; L1047-E1224 HydrophobicContact CD2-CB 4.04Å; L1047-E1224 HydrophobicContact CD2-CG 3.98Å; L1047-T1263 WeakPolarHBondContact O-CA 3.38Å; L1047-I1264 HydrophobicContact CB-CB 4.4Å; L1047-I1264 PolarHBondContact N-O 3.02Å; L1047-I1264 PolarHBondContact O-N 3.29Å |
| 1048 | V | 93.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.2 | -173.8 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | V1046 I1050 L1066 C1222 A1223 I1225 V1242 T1263 | V1046-V1048 HydrophobicContact CG1-CG2 4.14Å; V1048-I1050 PolarHBondContact O-N 3Å; V1048-L1066 HydrophobicContact CG1-CD2 3.32Å; V1048-C1222 CarbonylContact O-C 3.43Å; V1048-C1222 WeakPolarHBondContact O-CA 3.46Å; V1048-C1222 WeakPolarHBondContact O-CB 3.22Å; V1048-A1223 PolarHBondContact N-O 3.14Å; V1048-A1223 PolarHBondContact O-N 3.01Å; V1048-I1225 HydrophobicContact CG2-CD1 3.61Å; V1048-I1225 HydrophobicContact CG2-CG1 4.4Å; V1048-V1242 HydrophobicContact CG2-CG1 4.22Å; V1048-T1263 HydrophobicContact CB-CG2 4.25Å; V1048-T1263 HydrophobicContact CG1-CG2 3.92Å; V1048-T1263 HydrophobicContact CG2-CG2 3.82Å |
| 1049 | P | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.7 | -179 | 28.1 | -33.8 | 0 | 0 | 0 | 112.3 | L1066 F1207 P1220 C1222 L1261 V1262 | P1049-L1066 VanDerWaalsContact O-CB 3.25Å; P1049-L1066 WeakPolarHBondContact O-CB 3.39Å; P1049-F1207 HydrophobicContact CB-CB 4.31Å; P1049-F1207 HydrophobicContact CG-CB 3.99Å; P1049-P1220 HydrophobicContact CB-CB 3.9Å; P1049-P1220 HydrophobicContact CB-CG 3.63Å; P1049-C1222 VanDerWaalsContact CA-SG 3.53Å; P1049-L1261 HydrophobicContact CG-CD1 3.75Å; P1049-L1261 HydrophobicContact CG-CG 4.45Å; P1049-V1262 WeakPolarHBondContact CD-O 3.46Å |
| 1050 | I | 91.5 | Very high | 84.8 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -31.6 | -173.2 | 56 | 170 | 0 | 0 | 0 | 114.4 | V1048 Y1064 V1065 L1066 V1127 I1221 A1223 | V1048-I1050 PolarHBondContact O-N 3Å; I1050-Y1064 CarbonylContact O-C 3.54Å; I1050-Y1064 VanDerWaalsContact O-CA 3.31Å; I1050-Y1064 WeakPolarHBondContact O-CA 3.26Å; I1050-V1065 PolarHBondContact O-N 2.99Å; I1050-L1066 PolarHBondContact O-N 2.85Å; I1050-V1127 HydrophobicContact CD1-CB 4.38Å; I1050-V1127 HydrophobicContact CD1-CG1 3.85Å; I1050-V1127 HydrophobicContact CD1-CG2 4.02Å; I1050-I1221 VanDerWaalsContact CG1-O 3.25Å; I1050-I1221 WeakPolarHBondContact CG1-O 3.44Å; I1050-I1221 PolarHBondContact N-O 3.41Å; I1050-A1223 HydrophobicContact CD1-CB 4.15Å; I1050-A1223 HydrophobicContact CG2-CB 3.63Å |
| 1051 | E | 89.5 | Confident | 83.8 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 152.2 | -177.2 | -152.7 | -168.5 | 165.6 | 0 | 0 | 110.8 | K1057 P1062 Q1063 Y1064 P1220 I1221 | E1051-K1057 VanDerWaalsContact CD-NZ 3.27Å; E1051-K1057 WeakPolarHBondContact OE1-CE 3.09Å; E1051-K1057 IonicContact OE1-NZ 2.9Å; E1051-K1057 PolarHBondContact OE1-NZ 3.34Å; E1051-K1057 IonicContact OE2-NZ 3.46Å; E1051-P1062 WeakPolarHBondContact OE1-CA 3.11Å; E1051-P1062 WeakPolarHBondContact OE1-CB 3.32Å; E1051-Q1063 VanDerWaalsContact CG-O 3.29Å; E1051-Q1063 WeakPolarHBondContact CG-O 3.46Å; E1051-Q1063 PolarHBondContact OE1-N 2.99Å; E1051-Y1064 HydrophobicContact CG-CD1 4.21Å; E1051-P1220 CarbonylContact O-C 3.22Å; E1051-P1220 WeakPolarHBondContact O-CA 3.25Å; E1051-P1220 WeakPolarHBondContact O-CB 3.03Å; E1051-I1221 HydrophobicContact CB-CB 4.31Å; E1051-I1221 PolarHBondContact N-O 3.19Å; E1051-I1221 PolarHBondContact O-N 3.06Å |
| 1052 | L | 86.2 | Confident | 83 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | trans | -72.9 | 147.2 | 167.6 | -59.2 | -178.6 | 0 | 0 | 0 | 111.1 | D1056 K1057 Q1063 V1065 F1207 I1216 T1250 | L1052-D1056 HydrophobicContact CB-CB 4.15Å; L1052-D1056 HydrophobicContact CD1-CB 4.46Å; L1052-K1057 WeakPolarHBondContact O-CE 3.31Å; L1052-Q1063 HydrophobicContact CB-CB 4.29Å; L1052-Q1063 HydrophobicContact CD1-CB 4.07Å; L1052-Q1063 HydrophobicContact CG-CB 4.3Å; L1052-Q1063 PolarHBondContact N-O 3.12Å; L1052-V1065 HydrophobicContact CD2-CG2 3.6Å; L1052-V1065 HydrophobicContact CG-CG2 3.9Å; L1052-F1207 HydrophobicContact CD2-CD1 4.37Å; L1052-F1207 HydrophobicContact CD2-CE1 3.69Å; L1052-I1216 HydrophobicContact CD2-CD1 4.46Å; L1052-I1216 HydrophobicContact CD2-CG2 4.41Å; L1052-T1250 HydrophobicContact CD1-CG2 3.64Å; L1052-T1250 HydrophobicContact CG-CG2 4.26Å | ||
| 1053 | D | 84.8 | Confident | 82.6 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | trans | -55.6 | 150.6 | 169.7 | -177.4 | -86.9 | 0 | 0 | 0 | 111 | M1055 D1056 K1218 | D1053-M1055 PolarHBondContact O-N 2.83Å; D1053-M1055 VanDerWaalsContact O-N 3.13Å; D1053-M1055 WeakPolarHBondContact OD1-CB 3.43Å; D1053-M1055 WeakPolarHBondContact OD1-CG 3.44Å; D1053-M1055 PolarHBondContact OD1-N 2.7Å; D1053-D1056 PolarHBondContact O-N 3.35Å; D1053-K1218 HydrophobicContact CB-CB 3.81Å; D1053-K1218 HydrophobicContact CB-CD 4.09Å; D1053-K1218 WeakPolarHBondContact OD1-CD 3.02Å; D1053-K1218 IonicContact OD1-NZ 3.71Å; D1053-K1218 PolarHBondContact OD1-NZ 3.02Å; D1053-K1218 IonicContact OD2-NZ 2.95Å | ||
| 1054 | S | 76.8 | Confident | 82.4 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 58% | 0.58 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -54.7 | -29.6 | -179.9 | -62.7 | 0 | 0 | 0 | 0 | 114.5 | D1056 K1057 | S1054-D1056 VanDerWaalsContact C-N 3.25Å; S1054-D1056 PolarHBondContact O-N 2.7Å; S1054-K1057 PolarHBondContact O-N 2.9Å |
| 1055 | M | 75.3 | Confident | 82.2 | Confident | 123 Ų | 123 | 43.4 Ų | 43.4 | 61% | 0.606 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -66.6 | -25.9 | 174.6 | -67.5 | -59.5 | -59.3 | 0 | 0 | 113.4 | D1053 K1218 | D1053-M1055 PolarHBondContact O-N 2.83Å; D1053-M1055 VanDerWaalsContact O-N 3.13Å; D1053-M1055 WeakPolarHBondContact OD1-CB 3.43Å; D1053-M1055 WeakPolarHBondContact OD1-CG 3.44Å; D1053-M1055 PolarHBondContact OD1-N 2.7Å; M1055-K1218 HydrophobicContact CB-CD 4.28Å; M1055-K1218 HydrophobicContact CG-CD 4.03Å |
| 1056 | D | 75.3 | Confident | 82 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -94 | -4.5 | -177.9 | -91.3 | -73.4 | 0 | 0 | 0 | 113.3 | L1052 D1053 S1054 Q1063 I1216 Q1217 K1218 K1254 | L1052-D1056 HydrophobicContact CB-CB 4.15Å; L1052-D1056 HydrophobicContact CD1-CB 4.46Å; D1053-D1056 PolarHBondContact O-N 3.35Å; S1054-D1056 VanDerWaalsContact C-N 3.25Å; S1054-D1056 PolarHBondContact O-N 2.7Å; D1056-Q1063 PolarHBondContact O-OE1 2.85Å; D1056-I1216 HydrophobicContact CB-CG2 4.23Å; D1056-I1216 VanDerWaalsContact CG-CG2 3.48Å; D1056-I1216 WeakPolarHBondContact OD2-CG2 3.36Å; D1056-Q1217 PolarHBondContact OD2-N 2.92Å; D1056-K1218 PolarHBondContact OD2-N 3.42Å; D1056-K1254 WeakPolarHBondContact O-CE 3.19Å; D1056-K1254 PolarHBondContact O-NZ 2.72Å; D1056-K1254 IonicContact OD1-NZ 2.73Å; D1056-K1254 PolarHBondContact OD1-NZ 2.76Å |
| 1057 | K | 73.2 | Confident | 81.9 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | trans | -73.5 | 133.7 | -177.9 | -61.8 | -178.1 | -168.8 | -175.2 | 0 | 112 | E1051 L1052 S1054 G1059 Q1063 | E1051-K1057 VanDerWaalsContact CD-NZ 3.27Å; E1051-K1057 WeakPolarHBondContact OE1-CE 3.09Å; E1051-K1057 IonicContact OE1-NZ 2.9Å; E1051-K1057 PolarHBondContact OE1-NZ 3.34Å; E1051-K1057 IonicContact OE2-NZ 3.46Å; L1052-K1057 WeakPolarHBondContact O-CE 3.31Å; S1054-K1057 PolarHBondContact O-N 2.9Å; K1057-G1059 PolarHBondContact O-N 3.1Å; K1057-Q1063 HydrophobicContact CB-CG 4.36Å; K1057-Q1063 HydrophobicContact CG-CB 4.4Å; K1057-Q1063 HydrophobicContact CG-CG 4.27Å | ||
| 1058 | I | 67.3 | Low | 81.8 | Confident | 99 Ų | 99 | 40 Ų | 40 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -91.6 | 93.2 | 173.2 | -51 | 169.5 | 0 | 0 | 0 | 108 | Q1063 A1253 K1254 | I1058-Q1063 VanDerWaalsContact CB-NE2 3.31Å; I1058-A1253 HydrophobicContact CD1-CB 4.22Å; I1058-K1254 HydrophobicContact CD1-CD 4.26Å; I1058-K1254 HydrophobicContact CD1-CG 4.34Å |
| 1059 | G | 68.8 | Low | 81.6 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 78.1 | -177.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1057 A1061 | K1057-G1059 PolarHBondContact O-N 3.1Å; G1059-A1061 PolarHBondContact O-N 2.57Å |
| 1060 | N | 65.2 | Low | 81.4 | Confident | 183 Ų | 183 | 43.9 Ų | 43.9 | 98% | 0.979 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -73.8 | 6.8 | -170.9 | -65.5 | 7.4 | 0 | 0 | 0 | 115.2 | ||
| 1061 | A | 67.8 | Low | 81.2 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -90.4 | 134.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G1059 Q1063 | G1059-A1061 PolarHBondContact O-N 2.57Å; A1061-Q1063 PolarHBondContact O-N 2.84Å |
| 1062 | P | 70.8 | Confident | 81.1 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 31% | 0.312 | 27% | 0.265 | S | S | . | . | trans | -60.4 | 138.2 | 175.4 | 25.2 | -33.7 | 0 | 0 | 0 | 111 | E1051 Y1064 | E1051-P1062 WeakPolarHBondContact OE1-CA 3.11Å; E1051-P1062 WeakPolarHBondContact OE1-CB 3.32Å; P1062-Y1064 HydrophobicContact CB-CE1 4.07Å; P1062-Y1064 HydrophobicContact CB-CE2 4.13Å; P1062-Y1064 HydrophobicContact CG-CE1 4.48Å; P1062-Y1064 HydrophobicContact CG-CE2 3.88Å; P1062-Y1064 VanDerWaalsContact CG-OH 3.32Å; P1062-Y1064 WeakPolarHBondContact CG-OH 3.4Å | ||
| 1063 | Q | 83.5 | Confident | 81.1 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | trans | -111.9 | 77.6 | -175.8 | -66.2 | -155.2 | -18.3 | 0 | 0 | 110.1 | E1051 L1052 D1056 K1057 I1058 A1061 T1250 | E1051-Q1063 VanDerWaalsContact CG-O 3.29Å; E1051-Q1063 WeakPolarHBondContact CG-O 3.46Å; E1051-Q1063 PolarHBondContact OE1-N 2.99Å; L1052-Q1063 HydrophobicContact CB-CB 4.29Å; L1052-Q1063 HydrophobicContact CD1-CB 4.07Å; L1052-Q1063 HydrophobicContact CG-CB 4.3Å; L1052-Q1063 PolarHBondContact N-O 3.12Å; D1056-Q1063 PolarHBondContact O-OE1 2.85Å; K1057-Q1063 HydrophobicContact CB-CG 4.36Å; K1057-Q1063 HydrophobicContact CG-CB 4.4Å; K1057-Q1063 HydrophobicContact CG-CG 4.27Å; I1058-Q1063 VanDerWaalsContact CB-NE2 3.31Å; A1061-Q1063 PolarHBondContact O-N 2.84Å; Q1063-T1250 HydrophobicContact CB-CG2 4.12Å | ||
| 1064 | Y | 89.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 145 | 175.6 | -49.9 | -67.1 | 0 | 0 | 0 | 111 | I1050 E1051 P1062 Y1067 P1130 R1131 W1247 T1250 | I1050-Y1064 CarbonylContact O-C 3.54Å; I1050-Y1064 VanDerWaalsContact O-CA 3.31Å; I1050-Y1064 WeakPolarHBondContact O-CA 3.26Å; E1051-Y1064 HydrophobicContact CG-CD1 4.21Å; P1062-Y1064 HydrophobicContact CB-CE1 4.07Å; P1062-Y1064 HydrophobicContact CB-CE2 4.13Å; P1062-Y1064 HydrophobicContact CG-CE1 4.48Å; P1062-Y1064 HydrophobicContact CG-CE2 3.88Å; P1062-Y1064 VanDerWaalsContact CG-OH 3.32Å; P1062-Y1064 WeakPolarHBondContact CG-OH 3.4Å; Y1064-Y1067 HydrophobicContact CD1-CD2 4.42Å; Y1064-Y1067 HydrophobicContact CD2-CD2 4.06Å; Y1064-Y1067 HydrophobicContact CD2-CE2 4.22Å; Y1064-Y1067 HydrophobicContact CE2-CD2 4.49Å; Y1064-Y1067 HydrophobicContact CE2-CE2 4.2Å; Y1064-Y1067 HydrophobicContact CG-CD2 4.01Å; Y1064-Y1067 HydrophobicContact CG-CE2 4.46Å; Y1064-P1130 HydrophobicContact CE1-CG 3.69Å; Y1064-R1131 HydrophobicContact CE2-CG 4.31Å; Y1064-W1247 HydrophobicContact CD2-CD2 4.12Å; Y1064-W1247 AromaticContact CD2-CE2 3.93Å; Y1064-W1247 HydrophobicContact CD2-CE3 4.38Å; Y1064-W1247 HydrophobicContact CD2-CH2 4.36Å; Y1064-W1247 HydrophobicContact CD2-CZ2 4.07Å; Y1064-W1247 WeakPolarHBondContact O-CB 3.42Å; Y1064-T1250 VanDerWaalsContact O-CB 3.22Å; Y1064-T1250 WeakPolarHBondContact O-CB 3.22Å; Y1064-T1250 PolarHBondContact O-OG1 3.23Å |
| 1065 | V | 88.9 | Confident | 80.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -106.3 | -58.3 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | I1050 L1052 F1207 W1247 L1261 | I1050-V1065 PolarHBondContact O-N 2.99Å; L1052-V1065 HydrophobicContact CD2-CG2 3.6Å; L1052-V1065 HydrophobicContact CG-CG2 3.9Å; V1065-F1207 HydrophobicContact CG1-CB 4.2Å; V1065-F1207 HydrophobicContact CG1-CD1 3.95Å; V1065-F1207 HydrophobicContact CG1-CD2 3.73Å; V1065-F1207 HydrophobicContact CG1-CE1 4.24Å; V1065-F1207 HydrophobicContact CG1-CE2 4.07Å; V1065-F1207 HydrophobicContact CG1-CG 3.69Å; V1065-F1207 HydrophobicContact CG1-CZ 4.32Å; V1065-F1207 HydrophobicContact CG2-CD1 4.21Å; V1065-F1207 HydrophobicContact CG2-CE1 4.07Å; V1065-W1247 PolarHBondContact O-N 3.31Å; V1065-L1261 HydrophobicContact CG1-CD1 4.06Å |
| 1066 | L | 91.9 | Very high | 80.4 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.3 | 169.8 | -171.6 | 73.8 | 0 | 0 | 0 | 109.7 | V1024 V1048 P1049 I1050 M1068 L1261 | V1024-L1066 HydrophobicContact CB-CD1 3.83Å; V1024-L1066 HydrophobicContact CG1-CD1 4.3Å; V1024-L1066 HydrophobicContact CG2-CD1 3.43Å; V1024-L1066 VanDerWaalsContact CG2-CD1 3.43Å; V1048-L1066 HydrophobicContact CG1-CD2 3.32Å; P1049-L1066 VanDerWaalsContact O-CB 3.25Å; P1049-L1066 WeakPolarHBondContact O-CB 3.39Å; I1050-L1066 PolarHBondContact O-N 2.85Å; L1066-M1068 HydrophobicContact CD2-CG 4.2Å; L1066-M1068 HydrophobicContact CG-CG 4.48Å; L1066-L1261 HydrophobicContact CD1-CD2 4.13Å |
| 1067 | Y | 91.6 | Very high | 79.8 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.9 | 175.6 | -159 | -84.4 | 0 | 0 | 0 | 109.8 | Y1064 F1069 N1129 P1130 R1131 L1133 G1244 W1245 W1247 | Y1064-Y1067 HydrophobicContact CD1-CD2 4.42Å; Y1064-Y1067 HydrophobicContact CD2-CD2 4.06Å; Y1064-Y1067 HydrophobicContact CD2-CE2 4.22Å; Y1064-Y1067 HydrophobicContact CE2-CD2 4.49Å; Y1064-Y1067 HydrophobicContact CE2-CE2 4.2Å; Y1064-Y1067 HydrophobicContact CG-CD2 4.01Å; Y1064-Y1067 HydrophobicContact CG-CE2 4.46Å; Y1067-F1069 HydrophobicContact CD1-CD2 4.28Å; Y1067-F1069 HydrophobicContact CD1-CE1 4.12Å; Y1067-F1069 AromaticContact CD1-CE2 3.71Å; Y1067-F1069 HydrophobicContact CD1-CE2 3.71Å; Y1067-F1069 AromaticContact CD1-CZ 3.61Å; Y1067-F1069 HydrophobicContact CD1-CZ 3.61Å; Y1067-F1069 HydrophobicContact CE1-CD1 4.21Å; Y1067-F1069 AromaticContact CE1-CE1 3.57Å; Y1067-F1069 HydrophobicContact CE1-CE1 3.57Å; Y1067-F1069 HydrophobicContact CE1-CE2 4.03Å; Y1067-F1069 AromaticContact CE1-CZ 3.46Å; Y1067-F1069 HydrophobicContact CE1-CZ 3.46Å; Y1067-F1069 VanDerWaalsContact CE1-CZ 3.46Å; Y1067-N1129 HydrophobicContact CE1-CB 4.3Å; Y1067-N1129 WeakPolarHBondContact CE1-OD1 3.38Å; Y1067-N1129 VanDerWaalsContact OH-C 3.29Å; Y1067-N1129 WeakPolarHBondContact OH-CA 3.38Å; Y1067-N1129 PolarHBondContact OH-OD1 3.5Å; Y1067-P1130 HydrophobicContact CE2-CG 4.06Å; Y1067-R1131 WeakPolarHBondContact OH-CB 3.29Å; Y1067-R1131 PolarHBondContact OH-N 2.89Å; Y1067-R1131 VanDerWaalsContact OH-N 3.11Å; Y1067-L1133 HydrophobicContact CE1-CD1 4.2Å; Y1067-G1244 WeakPolarHBondContact O-CA 3.41Å; Y1067-W1245 PolarHBondContact N-O 2.98Å; Y1067-W1245 PolarHBondContact O-N 2.75Å; Y1067-W1247 AromaticContact CD2-CE3 3.63Å; Y1067-W1247 HydrophobicContact CD2-CE3 3.63Å; Y1067-W1247 HydrophobicContact CD2-CH2 4.47Å; Y1067-W1247 AromaticContact CD2-CZ3 3.56Å; Y1067-W1247 HydrophobicContact CD2-CZ3 3.56Å; Y1067-W1247 HydrophobicContact CE2-CE3 4.42Å; Y1067-W1247 AromaticContact CE2-CZ3 3.9Å; Y1067-W1247 HydrophobicContact CE2-CZ3 3.9Å; Y1067-W1247 AromaticContact CG-CE3 3.87Å; Y1067-W1247 HydrophobicContact CG-CE3 3.87Å; Y1067-W1247 AromaticContact CG-CZ3 3.94Å; Y1067-W1247 HydrophobicContact CG-CZ3 3.94Å |
| 1068 | M | 92.6 | Very high | 79.1 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | trans | -106.5 | 151.2 | -178.8 | -62.6 | -178.1 | 76.5 | 0 | 0 | 110.9 | L1066 P1090 I1121 V1128 N1129 I1225 V1242 | L1066-M1068 HydrophobicContact CD2-CG 4.2Å; L1066-M1068 HydrophobicContact CG-CG 4.48Å; M1068-P1090 HydrophobicContact CE-CG 3.99Å; M1068-I1121 HydrophobicContact CE-CD1 3.69Å; M1068-I1121 HydrophobicContact SD-CD1 4.33Å; M1068-V1128 HydrophobicContact CB-CG1 4.33Å; M1068-N1129 PolarHBondContact O-N 2.77Å; M1068-I1225 HydrophobicContact CE-CD1 4.11Å; M1068-V1242 HydrophobicContact CE-CG1 4.13Å | ||
| 1069 | F | 91.3 | Very high | 78.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | trans | -123.5 | 153.3 | 175.1 | -70.7 | -77.8 | 0 | 0 | 0 | 110.3 | V1017 I1020 Y1067 I1072 S1088 N1129 L1133 P1135 W1245 | V1017-F1069 HydrophobicContact CG1-CE2 4.39Å; I1020-F1069 HydrophobicContact CD1-CE2 3.69Å; I1020-F1069 HydrophobicContact CD1-CZ 3.72Å; Y1067-F1069 HydrophobicContact CD1-CD2 4.28Å; Y1067-F1069 HydrophobicContact CD1-CE1 4.12Å; Y1067-F1069 AromaticContact CD1-CE2 3.71Å; Y1067-F1069 HydrophobicContact CD1-CE2 3.71Å; Y1067-F1069 AromaticContact CD1-CZ 3.61Å; Y1067-F1069 HydrophobicContact CD1-CZ 3.61Å; Y1067-F1069 HydrophobicContact CE1-CD1 4.21Å; Y1067-F1069 AromaticContact CE1-CE1 3.57Å; Y1067-F1069 HydrophobicContact CE1-CE1 3.57Å; Y1067-F1069 HydrophobicContact CE1-CE2 4.03Å; Y1067-F1069 AromaticContact CE1-CZ 3.46Å; Y1067-F1069 HydrophobicContact CE1-CZ 3.46Å; Y1067-F1069 VanDerWaalsContact CE1-CZ 3.46Å; F1069-I1072 HydrophobicContact CB-CG2 4.06Å; F1069-I1072 HydrophobicContact CD2-CG2 4.32Å; F1069-I1072 HydrophobicContact CG-CG2 4.36Å; F1069-S1088 PolarHBondContact O-OG 2.78Å; F1069-N1129 HydrophobicContact CD1-CB 3.87Å; F1069-N1129 HydrophobicContact CE1-CB 4.27Å; F1069-N1129 WeakPolarHBondContact CE1-OD1 3.43Å; F1069-L1133 HydrophobicContact CE1-CB 4.08Å; F1069-L1133 HydrophobicContact CZ-CB 4.44Å; F1069-P1135 HydrophobicContact CB-CG 4.37Å; F1069-P1135 HydrophobicContact CD1-CB 3.91Å; F1069-P1135 HydrophobicContact CD1-CG 3.49Å; F1069-P1135 VanDerWaalsContact CD1-CG 3.49Å; F1069-P1135 HydrophobicContact CD2-CB 4.08Å; F1069-P1135 HydrophobicContact CD2-CG 4.36Å; F1069-P1135 HydrophobicContact CE1-CB 3.77Å; F1069-P1135 HydrophobicContact CE1-CG 3.74Å; F1069-P1135 HydrophobicContact CE2-CB 3.97Å; F1069-P1135 HydrophobicContact CG-CB 4.06Å; F1069-P1135 HydrophobicContact CG-CG 3.84Å; F1069-P1135 HydrophobicContact CZ-CB 3.82Å; F1069-P1135 HydrophobicContact CZ-CG 4.3Å; F1069-W1245 HydrophobicContact CB-CZ3 4.4Å; F1069-W1245 HydrophobicContact CD2-CD2 4.46Å; F1069-W1245 AromaticContact CD2-CE3 3.62Å; F1069-W1245 HydrophobicContact CD2-CE3 3.62Å; F1069-W1245 AromaticContact CD2-CZ3 3.67Å; F1069-W1245 HydrophobicContact CD2-CZ3 3.67Å; F1069-W1245 HydrophobicContact CE2-CE3 4.1Å | ||
| 1070 | N | 87.5 | Confident | 78 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -71.7 | -55.3 | 167 | -73.8 | -29.7 | 0 | 0 | 0 | 109.2 | S1088 R1089 V1128 | N1070-S1088 VanDerWaalsContact C-OG 3.26Å; N1070-S1088 PolarHBondContact O-N 3.43Å; N1070-S1088 PolarHBondContact O-OG 3.31Å; N1070-R1089 HydrophobicContact CB-CG 4.46Å; N1070-R1089 PolarHBondContact O-N 3.11Å; N1070-V1128 WeakPolarHBondContact OD1-CG1 3.29Å |
| 1071 | E | 88.5 | Confident | 77.8 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.8 | -175.8 | -62.1 | 168 | -164.5 | 0 | 0 | 109.6 | W1085 I1086 S1088 P1135 | E1071-W1085 HydrophobicContact CB-CB 4.42Å; E1071-W1085 HydrophobicContact CB-CE3 3.73Å; E1071-W1085 HydrophobicContact CB-CZ3 4.32Å; E1071-I1086 CarbonylContact C-O 3.58Å; E1071-I1086 WeakPolarHBondContact CA-O 3.43Å; E1071-S1088 PolarHBondContact N-OG 2.87Å; E1071-P1135 WeakPolarHBondContact O-CG 3.42Å |
| 1072 | I | 87.7 | Confident | 77.9 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.8 | 173.6 | 61.9 | 172.6 | 0 | 0 | 0 | 111.3 | F1069 A1074 I1086 P1135 W1245 | F1069-I1072 HydrophobicContact CB-CG2 4.06Å; F1069-I1072 HydrophobicContact CD2-CG2 4.32Å; F1069-I1072 HydrophobicContact CG-CG2 4.36Å; I1072-A1074 PolarHBondContact O-N 2.91Å; I1072-I1086 HydrophobicContact CG1-CB 4.17Å; I1072-I1086 PolarHBondContact N-O 3.19Å; I1072-I1086 PolarHBondContact O-N 2.83Å; I1072-P1135 HydrophobicContact CB-CB 4.37Å; I1072-P1135 HydrophobicContact CB-CG 4.37Å; I1072-P1135 HydrophobicContact CG2-CB 3.93Å; I1072-P1135 HydrophobicContact CG2-CG 4Å; I1072-W1245 HydrophobicContact CD1-CH2 4.01Å; I1072-W1245 HydrophobicContact CD1-CZ2 3.98Å; I1072-W1245 HydrophobicContact CG2-CH2 3.53Å; I1072-W1245 HydrophobicContact CG2-CZ2 4.09Å; I1072-W1245 HydrophobicContact CG2-CZ3 4.13Å |
| 1073 | R | 85.5 | Confident | 78.1 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.7 | 177.9 | -148.6 | -161.4 | 178.3 | 147.7 | -0.3 | 111.1 | L1083 E1084 W1085 P1135 M1136 D1137 | R1073-L1083 HydrophobicContact CG-CB 3.96Å; R1073-L1083 PolarHBondContact NE-O 2.92Å; R1073-L1083 PolarHBondContact NH2-O 3.5Å; R1073-E1084 CarbonylContact C-O 3.57Å; R1073-E1084 VanDerWaalsContact CA-O 3.27Å; R1073-E1084 WeakPolarHBondContact CA-O 3.48Å; R1073-W1085 HydrophobicContact CB-CD2 4.36Å; R1073-W1085 HydrophobicContact CB-CE3 4.09Å; R1073-W1085 HydrophobicContact CB-CZ3 4.23Å; R1073-W1085 HydrophobicContact CG-CD2 4.26Å; R1073-W1085 HydrophobicContact CG-CE3 4.48Å; R1073-P1135 VanDerWaalsContact CB-O 3.27Å; R1073-P1135 WeakPolarHBondContact CB-O 3.44Å; R1073-P1135 PolarHBondContact N-O 3.14Å; R1073-M1136 HydrophobicContact CB-CG 4.24Å; R1073-M1136 CarbonylContact O-C 3.47Å; R1073-M1136 VanDerWaalsContact O-CA 3.28Å; R1073-M1136 WeakPolarHBondContact O-CA 3.11Å; R1073-D1137 PolarHBondContact O-N 2.89Å |
| 1074 | A | 80.9 | Confident | 78 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 158.5 | -173 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1072 L1083 E1084 I1086 D1137 | I1072-A1074 PolarHBondContact O-N 2.91Å; A1074-L1083 CarbonylContact O-C 3.56Å; A1074-L1083 WeakPolarHBondContact O-CA 3.49Å; A1074-E1084 PolarHBondContact N-O 3.42Å; A1074-E1084 PolarHBondContact O-N 3.16Å; A1074-I1086 HydrophobicContact CB-CD1 3.74Å; A1074-I1086 HydrophobicContact CB-CG1 4.21Å; A1074-D1137 HydrophobicContact CB-CB 4.1Å |
| 1075 | P | 74.9 | Confident | 77.6 | Confident | 25 Ų | 25 | 68 Ų | 68 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140.1 | 174.6 | 27.4 | -33.8 | 0 | 0 | 0 | 110 | L1083 D1137 T1140 V1141 | P1075-L1083 HydrophobicContact CB-CD2 4.31Å; P1075-D1137 WeakPolarHBondContact CD-O 3.36Å; P1075-T1140 WeakPolarHBondContact CG-OG1 3.38Å; P1075-V1141 HydrophobicContact CB-CG2 4.09Å; P1075-V1141 HydrophobicContact CG-CG2 3.91Å |
| 1076 | S | 65.5 | Low | 77.4 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | trans | -62.3 | 158.9 | 172.9 | -151.7 | 0 | 0 | 0 | 0 | 111.2 | N1078 V1082 E1084 | S1076-N1078 VanDerWaalsContact C-N 3.32Å; S1076-V1082 PolarHBondContact N-O 3.45Å; S1076-E1084 WeakPolarHBondContact CB-OE2 3.37Å; S1076-E1084 PolarHBondContact OG-OE2 3.02Å | ||
| 1077 | Y | 63.4 | Low | 77.1 | Confident | 219 Ų | 219 | 72.5 Ų | 72.5 | 86% | 0.859 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -70.8 | -31.3 | 174.8 | -87.2 | -94.5 | 0 | 0 | 0 | 112.1 | ||
| 1078 | N | 58.5 | Low | 76.8 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -72.9 | 131.8 | 171.7 | -70.3 | -14.3 | 0 | 0 | 0 | 109.4 | S1076 N1080 | S1076-N1078 VanDerWaalsContact C-N 3.32Å; N1078-N1080 PolarHBondContact O-N 2.92Å |
| 1079 | D | 56.3 | Low | 76.7 | Confident | 115 Ų | 115 | 78.2 Ų | 78.2 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -62.1 | 12.3 | -157.9 | -97.3 | -24.1 | 0 | 0 | 0 | 118.4 | R1144 | D1079-R1144 IonicContact OD1-CZ 2.79Å; D1079-R1144 IonicContact OD1-NH1 3.24Å; D1079-R1144 PolarHBondContact OD1-NH1 3.48Å; D1079-R1144 IonicContact OD1-NH2 3.33Å; D1079-R1144 PolarHBondContact OD1-NH2 2.94Å |
| 1080 | N | 57.6 | Low | 76.7 | Confident | 117 Ų | 117 | 78.3 Ų | 78.3 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | trans | -72.1 | 128.9 | 168.7 | -71.1 | -36.3 | 0 | 0 | 0 | 110.6 | N1078 V1082 | N1078-N1080 PolarHBondContact O-N 2.92Å; N1080-V1082 HydrophobicContact CB-CB 4.46Å; N1080-V1082 HydrophobicContact CB-CG2 4.14Å; N1080-V1082 PolarHBondContact O-N 3.14Å | ||
| 1081 | Y | 59.5 | Low | 76.7 | Confident | 175 Ų | 175 | 77.5 Ų | 77.5 | 69% | 0.686 | 36% | 0.363 | S | S | * | . | trans | -68.7 | 25.1 | 175.4 | -61.8 | -91.3 | 0 | 0 | 0 | 114 | V1141 | Y1081-V1141 HydrophobicContact CD1-CG1 4.17Š| ||
| 1082 | V | 70.8 | Confident | 76.8 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | trans | -87.4 | 127.7 | -179 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | S1076 N1080 E1084 | S1076-V1082 PolarHBondContact N-O 3.45Å; N1080-V1082 HydrophobicContact CB-CB 4.46Å; N1080-V1082 HydrophobicContact CB-CG2 4.14Å; N1080-V1082 PolarHBondContact O-N 3.14Å; V1082-E1084 HydrophobicContact CG1-CG 4.28Å; V1082-E1084 PolarHBondContact O-N 3.4Å | ||
| 1083 | L | 74.9 | Confident | 76.7 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 105 | 175.6 | -66.1 | 175.4 | 0 | 0 | 0 | 109.9 | R1073 A1074 P1075 V1138 | R1073-L1083 HydrophobicContact CG-CB 3.96Å; R1073-L1083 PolarHBondContact NE-O 2.92Å; R1073-L1083 PolarHBondContact NH2-O 3.5Å; A1074-L1083 CarbonylContact O-C 3.56Å; A1074-L1083 WeakPolarHBondContact O-CA 3.49Å; P1075-L1083 HydrophobicContact CB-CD2 4.31Å; L1083-V1138 HydrophobicContact CD1-CG1 4.04Å; L1083-V1138 HydrophobicContact CD2-CG1 4.22Å |
| 1084 | E | 80.2 | Confident | 76.6 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 162.1 | 178.4 | -67.1 | -178.9 | 164.9 | 0 | 0 | 111.4 | R1073 A1074 S1076 V1082 | R1073-E1084 CarbonylContact C-O 3.57Å; R1073-E1084 VanDerWaalsContact CA-O 3.27Å; R1073-E1084 WeakPolarHBondContact CA-O 3.48Å; A1074-E1084 PolarHBondContact N-O 3.42Å; A1074-E1084 PolarHBondContact O-N 3.16Å; S1076-E1084 WeakPolarHBondContact CB-OE2 3.37Å; S1076-E1084 PolarHBondContact OG-OE2 3.02Å; V1082-E1084 HydrophobicContact CG1-CG 4.28Å; V1082-E1084 PolarHBondContact O-N 3.4Å |
| 1085 | W | 82.6 | Confident | 76.2 | Confident | 123 Ų | 123 | 75.5 Ų | 75.5 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 105.1 | 174.4 | -73.7 | 110.6 | 0 | 0 | 0 | 109.6 | E1071 R1073 I1134 P1135 | E1071-W1085 HydrophobicContact CB-CB 4.42Å; E1071-W1085 HydrophobicContact CB-CE3 3.73Å; E1071-W1085 HydrophobicContact CB-CZ3 4.32Å; R1073-W1085 HydrophobicContact CB-CD2 4.36Å; R1073-W1085 HydrophobicContact CB-CE3 4.09Å; R1073-W1085 HydrophobicContact CB-CZ3 4.23Å; R1073-W1085 HydrophobicContact CG-CD2 4.26Å; R1073-W1085 HydrophobicContact CG-CE3 4.48Å; W1085-I1134 HydrophobicContact CH2-CG2 3.95Å; W1085-I1134 HydrophobicContact CZ2-CG2 4.48Å; W1085-P1135 HydrophobicContact CZ3-CG 4.3Å |
| 1086 | I | 83.3 | Confident | 75.5 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.3 | 178 | -54.1 | -170.7 | 0 | 0 | 0 | 108.7 | E1071 I1072 A1074 S1088 | E1071-I1086 CarbonylContact C-O 3.58Å; E1071-I1086 WeakPolarHBondContact CA-O 3.43Å; I1072-I1086 HydrophobicContact CG1-CB 4.17Å; I1072-I1086 PolarHBondContact N-O 3.19Å; I1072-I1086 PolarHBondContact O-N 2.83Å; A1074-I1086 HydrophobicContact CB-CD1 3.74Å; A1074-I1086 HydrophobicContact CB-CG1 4.21Å; I1086-S1088 PolarHBondContact O-N 2.96Å |
| 1087 | D | 85.4 | Confident | 74.5 | Confident | 43 Ų | 43 | 84 Ų | 84 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 116.9 | 174.5 | 176.3 | 12.7 | 0 | 0 | 0 | 111.1 | R1089 K1091 | D1087-R1089 VanDerWaalsContact CG-NH2 3.33Å; D1087-R1089 VanDerWaalsContact OD1-CB 3.24Å; D1087-R1089 WeakPolarHBondContact OD1-CB 3.27Å; D1087-R1089 VanDerWaalsContact OD1-CG 3.3Å; D1087-R1089 WeakPolarHBondContact OD1-CG 3.39Å; D1087-R1089 IonicContact OD1-CZ 2.73Å; D1087-R1089 PolarHBondContact OD1-N 3.49Å; D1087-R1089 IonicContact OD1-NE 2.76Å; D1087-R1089 PolarHBondContact OD1-NE 2.84Å; D1087-R1089 IonicContact OD1-NH2 3.47Å; D1087-R1089 IonicContact OD2-CZ 3.72Å; D1087-R1089 IonicContact OD2-NE 3.66Å; D1087-R1089 PolarHBondContact OD2-NE 3.36Å; D1087-R1089 IonicContact OD2-NH2 2.83Å; D1087-R1089 PolarHBondContact OD2-NH2 2.67Å; D1087-K1091 VanDerWaalsContact CG-CE 3.41Å; D1087-K1091 WeakPolarHBondContact O-CE 3.32Å; D1087-K1091 PolarHBondContact O-NZ 3.3Å; D1087-K1091 WeakPolarHBondContact OD2-CE 3.32Å; D1087-K1091 IonicContact OD2-NZ 3.18Å |
| 1088 | S | 87.2 | Confident | 73.4 | Confident | 8 Ų | 8 | 82 Ų | 82 | 6% | 0.056 | 40% | 0.395 | C | S | . | . | trans | -106.1 | 3 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | F1069 N1070 E1071 I1086 T1243 | F1069-S1088 PolarHBondContact O-OG 2.78Å; N1070-S1088 VanDerWaalsContact C-OG 3.26Å; N1070-S1088 PolarHBondContact O-N 3.43Å; N1070-S1088 PolarHBondContact O-OG 3.31Å; E1071-S1088 PolarHBondContact N-OG 2.87Å; I1086-S1088 PolarHBondContact O-N 2.96Å; S1088-T1243 PolarHBondContact O-OG1 2.97Å | ||
| 1089 | R | 88.9 | Confident | 72.3 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -59.2 | 157.4 | 174.1 | -65.1 | 173.5 | -65.1 | -174.2 | 1.7 | 111 | N1070 D1087 K1091 | N1070-R1089 HydrophobicContact CB-CG 4.46Å; N1070-R1089 PolarHBondContact O-N 3.11Å; D1087-R1089 VanDerWaalsContact CG-NH2 3.33Å; D1087-R1089 VanDerWaalsContact OD1-CB 3.24Å; D1087-R1089 WeakPolarHBondContact OD1-CB 3.27Å; D1087-R1089 VanDerWaalsContact OD1-CG 3.3Å; D1087-R1089 WeakPolarHBondContact OD1-CG 3.39Å; D1087-R1089 IonicContact OD1-CZ 2.73Å; D1087-R1089 PolarHBondContact OD1-N 3.49Å; D1087-R1089 IonicContact OD1-NE 2.76Å; D1087-R1089 PolarHBondContact OD1-NE 2.84Å; D1087-R1089 IonicContact OD1-NH2 3.47Å; D1087-R1089 IonicContact OD2-CZ 3.72Å; D1087-R1089 IonicContact OD2-NE 3.66Å; D1087-R1089 PolarHBondContact OD2-NE 3.36Å; D1087-R1089 IonicContact OD2-NH2 2.83Å; D1087-R1089 PolarHBondContact OD2-NH2 2.67Å; R1089-K1091 WeakPolarHBondContact O-CG 3.49Å |
| 1090 | P | 91.3 | Very high | 71.3 | Confident | 6 Ų | 6 | 86.1 Ų | 86.1 | 4% | 0.039 | 41% | 0.412 | C | S | . | . | trans | -56.7 | 138.3 | 171.3 | -22.6 | 33.1 | 0 | 0 | 0 | 111.3 | M1068 C1119 I1121 I1225 K1241 V1242 | M1068-P1090 HydrophobicContact CE-CG 3.99Å; P1090-C1119 HydrophobicContact CB-CB 3.79Å; P1090-I1121 HydrophobicContact CG-CD1 3.92Å; P1090-I1121 HydrophobicContact CG-CG1 4.02Å; P1090-I1225 HydrophobicContact CB-CG2 3.88Å; P1090-I1225 HydrophobicContact CG-CD1 3.88Å; P1090-I1225 HydrophobicContact CG-CG2 3.79Å; P1090-K1241 VanDerWaalsContact CA-O 3.29Å; P1090-K1241 WeakPolarHBondContact CA-O 3.38Å; P1090-V1242 HydrophobicContact CB-CG2 4.45Å | ||
| 1091 | K | 88.4 | Confident | 70.2 | Confident | 60 Ų | 60 | 86.8 Ų | 86.8 | 26% | 0.261 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.5 | -175.4 | -71.3 | 167.6 | -176.8 | 179.7 | 0 | 110.9 | D1087 R1089 F1093 I1240 K1241 | D1087-K1091 VanDerWaalsContact CG-CE 3.41Å; D1087-K1091 WeakPolarHBondContact O-CE 3.32Å; D1087-K1091 PolarHBondContact O-NZ 3.3Å; D1087-K1091 WeakPolarHBondContact OD2-CE 3.32Å; D1087-K1091 IonicContact OD2-NZ 3.18Å; R1089-K1091 WeakPolarHBondContact O-CG 3.49Å; K1091-F1093 HydrophobicContact CB-CD1 4.49Å; K1091-F1093 HydrophobicContact CB-CD2 4.46Å; K1091-F1093 HydrophobicContact CB-CE1 3.69Å; K1091-F1093 HydrophobicContact CB-CE2 3.64Å; K1091-F1093 HydrophobicContact CB-CZ 3.21Å; K1091-F1093 HydrophobicContact CD-CE1 3.99Å; K1091-F1093 HydrophobicContact CD-CZ 3.63Å; K1091-F1093 HydrophobicContact CG-CE1 4.35Å; K1091-F1093 HydrophobicContact CG-CZ 4.02Å; K1091-I1240 WeakPolarHBondContact O-CA 3.23Å; K1091-K1241 PolarHBondContact N-O 3.39Å; K1091-K1241 VanDerWaalsContact N-O 3.16Å; K1091-K1241 PolarHBondContact O-N 3.11Å |
| 1092 | V | 89.9 | Confident | 69 | Low | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.006 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.8 | 179 | -166.9 | 0 | 0 | 0 | 0 | 109 | C1119 C1227 V1229 V1238 L1239 I1240 | V1092-C1119 WeakPolarHBondContact CG2-SG 3.4Å; V1092-C1227 HydrophobicContact CG2-CB 3.98Å; V1092-V1229 HydrophobicContact CG1-CG2 3.64Å; V1092-V1238 HydrophobicContact CG1-CG1 3.2Å; V1092-L1239 WeakPolarHBondContact CA-O 3.18Å; V1092-I1240 HydrophobicContact CG1-CG1 4.34Å; V1092-I1240 HydrophobicContact CG2-CG1 4.31Å |
| 1093 | F | 86.3 | Confident | 67.1 | Low | 42 Ų | 42 | 82 Ų | 82 | 18% | 0.184 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.7 | -174.3 | -42.8 | -80.2 | 0 | 0 | 0 | 111.4 | K1091 M1113 V1238 L1239 K1241 | K1091-F1093 HydrophobicContact CB-CD1 4.49Å; K1091-F1093 HydrophobicContact CB-CD2 4.46Å; K1091-F1093 HydrophobicContact CB-CE1 3.69Å; K1091-F1093 HydrophobicContact CB-CE2 3.64Å; K1091-F1093 HydrophobicContact CB-CZ 3.21Å; K1091-F1093 HydrophobicContact CD-CE1 3.99Å; K1091-F1093 HydrophobicContact CD-CZ 3.63Å; K1091-F1093 HydrophobicContact CG-CE1 4.35Å; K1091-F1093 HydrophobicContact CG-CZ 4.02Å; F1093-M1113 HydrophobicContact CB-CB 4.16Å; F1093-M1113 HydrophobicContact CD1-CB 3.82Å; F1093-M1113 WeakPolarHBondContact CD1-O 3.34Å; F1093-M1113 HydrophobicContact CE1-CB 4.43Å; F1093-M1113 HydrophobicContact CG-CB 4.18Å; F1093-V1238 WeakPolarHBondContact O-CA 3.13Å; F1093-L1239 PolarHBondContact N-O 3.04Å; F1093-L1239 PolarHBondContact O-N 3.43Å; F1093-K1241 HydrophobicContact CE2-CB 3.86Å |
| 1094 | A | 82.8 | Confident | 64.9 | Low | 26 Ų | 26 | 88 Ų | 88 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 142.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G1096 S1114 V1116 | A1094-G1096 PolarHBondContact O-N 2.73Å; A1094-S1114 PolarHBondContact N-O 2.77Å; A1094-V1116 HydrophobicContact CB-CG2 3.55Å |
| 1095 | M | 73.4 | Confident | 62.6 | Low | 76 Ų | 76 | 92.6 Ų | 92.6 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 119.2 | 160.1 | -171.6 | 170.2 | 172.9 | 0 | 0 | 108.4 | P1237 L1239 | M1095-P1237 HydrophobicContact CB-CG 4.03Å; M1095-P1237 PolarHBondContact N-O 3.05Å; M1095-P1237 VanDerWaalsContact N-O 3.14Å; M1095-P1237 HydrophobicContact SD-CG 3.9Å; M1095-L1239 HydrophobicContact CB-CD1 4.48Å |
| 1096 | G | 58.6 | Low | 60 | Low | 40 Ų | 40 | 97 Ų | 97 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 143.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1094 H1098 | A1094-G1096 PolarHBondContact O-N 2.73Å; G1096-H1098 PolarHBondContact O-N 2.92Å |
| 1097 | R | 45.8 | Very low | 57.4 | Low | 199 Ų | 199 | 102.3 Ų | 102.3 | 75% | 0.751 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 126.1 | 170.9 | -78.8 | 177.1 | 166.5 | 173.5 | -9 | 108.6 | Q1099 | R1097-Q1099 VanDerWaalsContact C-N 3.34Å; R1097-Q1099 PolarHBondContact O-N 3.08Å |
| 1098 | H | 40.4 | Very low | 54.9 | Low | 177 Ų | 177 | 106.2 Ų | 106.2 | 82% | 0.819 | 54% | 0.542 | S | S | * | . | trans | -58.9 | 103.1 | 153.1 | -87.1 | -88.8 | 0 | 0 | 0 | 107.1 | G1096 N1100 | G1096-H1098 PolarHBondContact O-N 2.92Å; H1098-N1100 PolarHBondContact O-N 3.07Å | ||
| 1099 | Q | 35.9 | Very low | 52.5 | Low | 152 Ų | 152 | 112.8 Ų | 112.8 | 71% | 0.71 | 58% | 0.576 | S | S | * | * | trans | -71.9 | 111.2 | 175.7 | -81.9 | -178.3 | -32.5 | 0 | 0 | 109.2 | R1097 | R1097-Q1099 VanDerWaalsContact C-N 3.34Å; R1097-Q1099 PolarHBondContact O-N 3.08Å | ||
| 1100 | N | 34.8 | Very low | 50.1 | Low | 167 Ų | 167 | 110.8 Ų | 110.8 | 89% | 0.893 | 59% | 0.593 | S | S | * | * | trans | -97.3 | 3.3 | 161 | -100.1 | 11.9 | 0 | 0 | 0 | 111.9 | H1098 | H1098-N1100 PolarHBondContact O-N 3.07Š| ||
| 1101 | D | 33.9 | Very low | 47.6 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | trans | -84.9 | 112.1 | 174 | -74.3 | -41.9 | 0 | 0 | 0 | 110 | S1103 | D1101-S1103 PolarHBondContact O-N 3.05Š| ||
| 1102 | G | 33.7 | Very low | 45.3 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 87% | 0.866 | 65% | 0.652 | S | S | * | * | trans | -72 | 43.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1103 | S | 32.3 | Very low | 43.6 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 52% | 0.524 | 67% | 0.667 | S | S | . | * | trans | -90.2 | 115 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | D1101 F1105 | D1101-S1103 PolarHBondContact O-N 3.05Å; S1103-F1105 PolarHBondContact O-N 2.96Å | ||
| 1104 | N | 27.4 | Very low | 42.6 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | trans | -63.5 | 90.4 | 176.8 | -69.8 | -54.5 | 0 | 0 | 0 | 112.2 | ||||
| 1105 | F | 31.6 | Very low | 42.1 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.842 | 70% | 0.702 | S | S | * | * | trans | -109.2 | 146.9 | 159.9 | -100.1 | -92.3 | 0 | 0 | 0 | 111.4 | S1103 | S1103-F1105 PolarHBondContact O-N 2.96Š| ||
| 1106 | R | 28.4 | Very low | 42.5 | Very low | 215 Ų | 215 | 130.5 Ų | 130.5 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | trans | -72.4 | 154.2 | -161.7 | -67.8 | 170.4 | 173.7 | 169.2 | -3.5 | 112.1 | D1108 | R1106-D1108 PolarHBondContact O-N 2.83Š| ||
| 1107 | N | 29.4 | Very low | 43.9 | Very low | 173 Ų | 173 | 129 Ų | 129 | 93% | 0.925 | 68% | 0.684 | S | S | * | * | trans | -71.2 | 55.7 | 175.6 | -61.4 | -48.7 | 0 | 0 | 0 | 112.7 | ||||
| 1108 | D | 32.9 | Very low | 46 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | trans | -101.6 | 127.5 | 169.4 | -73 | -43.1 | 0 | 0 | 0 | 109.2 | R1106 | R1106-D1108 PolarHBondContact O-N 2.83Š| ||
| 1109 | D | 36.8 | Very low | 48.5 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 57.3 | 99.3 | 167.2 | -56.6 | -35.3 | 0 | 0 | 0 | 117.8 | ||
| 1110 | G | 37.5 | Very low | 51.2 | Low | 76 Ų | 76 | 112.7 Ų | 112.7 | 78% | 0.784 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 149.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1112 | G1110-D1112 PolarHBondContact O-N 3.07Š|
| 1111 | D | 39.8 | Very low | 53.9 | Low | 144 Ų | 144 | 105.6 Ų | 105.6 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.4 | 52.1 | 172 | -69.1 | -20.1 | 0 | 0 | 0 | 114.4 | M1113 | D1111-M1113 HydrophobicContact CB-CG 4.34Å; D1111-M1113 PolarHBondContact O-N 2.96Å |
| 1112 | D | 41 | Very low | 56.5 | Low | 146 Ų | 146 | 102 Ų | 102 | 78% | 0.781 | 57% | 0.571 | S | S | * | * | trans | -68.6 | 73 | 161.1 | -165.6 | 19.6 | 0 | 0 | 0 | 109.7 | G1110 S1114 | G1110-D1112 PolarHBondContact O-N 3.07Å; D1112-S1114 PolarHBondContact O-N 3.3Å | ||
| 1113 | M | 54.2 | Low | 59.1 | Low | 66 Ų | 66 | 102.3 Ų | 102.3 | 33% | 0.325 | 55% | 0.553 | S | S | . | * | trans | -65.5 | 77.5 | 172.2 | -73.8 | -72.3 | 103 | 0 | 0 | 107.8 | F1093 D1111 K1115 | F1093-M1113 HydrophobicContact CB-CB 4.16Å; F1093-M1113 HydrophobicContact CD1-CB 3.82Å; F1093-M1113 WeakPolarHBondContact CD1-O 3.34Å; F1093-M1113 HydrophobicContact CE1-CB 4.43Å; F1093-M1113 HydrophobicContact CG-CB 4.18Å; D1111-M1113 HydrophobicContact CB-CG 4.34Å; D1111-M1113 PolarHBondContact O-N 2.96Å; M1113-K1115 PolarHBondContact O-N 2.95Å; M1113-K1115 VanDerWaalsContact O-N 3.11Å | ||
| 1114 | S | 63.7 | Low | 61.6 | Low | 67 Ų | 67 | 101.2 Ų | 101.2 | 47% | 0.469 | 55% | 0.545 | S | S | . | . | trans | -44.5 | 120 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | A1094 D1112 V1116 | A1094-S1114 PolarHBondContact N-O 2.77Å; D1112-S1114 PolarHBondContact O-N 3.3Å; S1114-V1116 WeakPolarHBondContact O-CG2 3.27Å; S1114-V1116 PolarHBondContact O-N 3.4Å | ||
| 1115 | K | 72.6 | Confident | 64.4 | Low | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.665 | 54% | 0.542 | S | S | * | . | trans | -75.1 | 98.2 | -174.8 | 179.4 | -174.6 | 171.7 | -168.8 | 0 | 108.9 | M1113 G1117 | M1113-K1115 PolarHBondContact O-N 2.95Å; M1113-K1115 VanDerWaalsContact O-N 3.11Å; K1115-G1117 VanDerWaalsContact C-N 3.27Å; K1115-G1117 WeakPolarHBondContact CE-O 3.48Å; K1115-G1117 WeakPolarHBondContact CG-O 3.24Å; K1115-G1117 PolarHBondContact O-N 2.9Å | ||
| 1116 | V | 81.9 | Confident | 66.9 | Low | 48 Ų | 48 | 99.7 Ų | 99.7 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | trans | -78 | -11.6 | -176.6 | -161.9 | 0 | 0 | 0 | 0 | 112.7 | A1094 S1114 V1229 | A1094-V1116 HydrophobicContact CB-CG2 3.55Å; S1114-V1116 WeakPolarHBondContact O-CG2 3.27Å; S1114-V1116 PolarHBondContact O-N 3.4Å; V1116-V1229 HydrophobicContact CG1-CG1 4.13Å | ||
| 1117 | G | 87.7 | Confident | 69.6 | Low | 10 Ų | 10 | 90.6 Ų | 90.6 | 10% | 0.103 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | -174.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1115 H1228 | K1115-G1117 VanDerWaalsContact C-N 3.27Å; K1115-G1117 WeakPolarHBondContact CE-O 3.48Å; K1115-G1117 WeakPolarHBondContact CG-O 3.24Å; K1115-G1117 PolarHBondContact O-N 2.9Å; G1117-H1228 CarbonylContact C-O 3.5Å; G1117-H1228 WeakPolarHBondContact CA-O 3.07Å |
| 1118 | S | 90.2 | Very high | 72.4 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.9 | 179.6 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | C1227 H1228 | S1118-C1227 CarbonylContact O-C 3.31Å; S1118-C1227 VanDerWaalsContact O-CA 3.3Å; S1118-C1227 WeakPolarHBondContact O-CA 3.5Å; S1118-H1228 PolarHBondContact N-O 3.36Å; S1118-H1228 PolarHBondContact O-N 2.67Å |
| 1119 | C | 93.2 | Very high | 75.1 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.7 | 168.2 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | P1090 V1092 I1225 I1226 C1227 | P1090-C1119 HydrophobicContact CB-CB 3.79Å; V1092-C1119 WeakPolarHBondContact CG2-SG 3.4Å; C1119-I1225 HydrophobicContact CB-CG2 4.13Å; C1119-I1226 CarbonylContact C-O 3.51Å; C1119-I1226 WeakPolarHBondContact CA-O 3.43Å; C1119-C1227 HydrophobicContact CB-CB 4.12Å; C1119-C1227 WeakPolarHBondContact CB-SG 3.41Å; C1119-C1227 WeakPolarHBondContact SG-CB 3.49Å; C1119-C1227 CovalentContact SG-SG 2.04Å; C1119-C1227 PolarHBondContact SG-SG 2.98Å |
| 1120 | I | 92.4 | Very high | 77.4 | Confident | 105 Ų | 105 | 73.8 Ų | 73.8 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.7 | 169.4 | 58.6 | 173.3 | 0 | 0 | 0 | 109.2 | I1225 I1226 | I1120-I1225 CarbonylContact O-C 3.57Å; I1120-I1225 WeakPolarHBondContact O-CA 3.39Å; I1120-I1226 HydrophobicContact CG1-CB 4.07Å; I1120-I1226 PolarHBondContact N-O 3.44Å; I1120-I1226 PolarHBondContact O-N 3.18Å |
| 1121 | I | 91.5 | Very high | 79.5 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.5 | 170.9 | -59.1 | 175.4 | 0 | 0 | 0 | 106.7 | M1068 P1090 N1123 S1124 V1127 V1128 I1225 | M1068-I1121 HydrophobicContact CE-CD1 3.69Å; M1068-I1121 HydrophobicContact SD-CD1 4.33Å; P1090-I1121 HydrophobicContact CG-CD1 3.92Å; P1090-I1121 HydrophobicContact CG-CG1 4.02Å; I1121-N1123 PolarHBondContact O-N 2.84Å; I1121-S1124 WeakPolarHBondContact O-CB 3.47Å; I1121-S1124 PolarHBondContact O-N 3.4Å; I1121-V1127 HydrophobicContact CG2-CB 4.23Å; I1121-V1127 HydrophobicContact CG2-CG1 3.74Å; I1121-V1128 HydrophobicContact CB-CG2 4.22Å; I1121-V1128 HydrophobicContact CD1-CG2 3.49Å; I1121-V1128 VanDerWaalsContact CD1-CG2 3.49Å; I1121-V1128 HydrophobicContact CG1-CG2 4.44Å; I1121-V1128 HydrophobicContact CG2-CG2 4Å; I1121-I1225 HydrophobicContact CG1-CG1 4.19Å; I1121-I1225 HydrophobicContact CG1-CG2 4.28Å |
| 1122 | V | 89.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 131.9 | 178 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | S1124 E1224 I1226 | V1122-S1124 VanDerWaalsContact C-N 3.26Å; V1122-S1124 PolarHBondContact O-N 2.82Å; V1122-E1224 HydrophobicContact CB-CB 4.06Å; V1122-E1224 HydrophobicContact CG2-CB 3.92Å; V1122-E1224 HydrophobicContact CG2-CG 3.91Å; V1122-E1224 PolarHBondContact N-O 2.85Å; V1122-I1226 HydrophobicContact CG2-CD1 3.68Å; V1122-I1226 HydrophobicContact CG2-CG1 3.97Å |
| 1123 | N | 87.9 | Confident | 83.8 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 39.1 | -179.2 | -166.5 | 17.7 | 0 | 0 | 0 | 112.7 | I1121 E1125 K1126 V1127 | I1121-N1123 PolarHBondContact O-N 2.84Å; N1123-E1125 PolarHBondContact O-N 2.82Å; N1123-E1125 VanDerWaalsContact O-N 3.11Å; N1123-K1126 PolarHBondContact O-N 2.85Å; N1123-K1126 WeakPolarHBondContact OD1-CD 3.05Å; N1123-K1126 WeakPolarHBondContact OD1-CG 3.2Å; N1123-V1127 WeakPolarHBondContact O-CG2 3.42Å; N1123-V1127 PolarHBondContact O-N 3.28Å; N1123-V1127 VanDerWaalsContact O-N 3.15Å |
| 1124 | S | 85.5 | Confident | 85.2 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -49.4 | -37.1 | -175.8 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | I1121 V1122 K1126 V1127 V1128 | I1121-S1124 WeakPolarHBondContact O-CB 3.47Å; I1121-S1124 PolarHBondContact O-N 3.4Å; V1122-S1124 VanDerWaalsContact C-N 3.26Å; V1122-S1124 PolarHBondContact O-N 2.82Å; S1124-K1126 VanDerWaalsContact C-N 3.25Å; S1124-K1126 PolarHBondContact O-N 3.23Å; S1124-V1127 PolarHBondContact O-N 2.95Å; S1124-V1128 WeakPolarHBondContact O-CB 3.35Å; S1124-V1128 PolarHBondContact O-N 2.82Å |
| 1125 | E | 84.7 | Confident | 86.4 | Confident | 176 Ų | 176 | 65.1 Ų | 65.1 | 82% | 0.822 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.5 | -32.8 | 177.2 | -61.7 | 178.1 | 178 | 0 | 0 | 113.8 | N1123 | N1123-E1125 PolarHBondContact O-N 2.82Å; N1123-E1125 VanDerWaalsContact O-N 3.11Å |
| 1126 | K | 83.6 | Confident | 86.9 | Confident | 151 Ų | 151 | 59 Ų | 59 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -98.6 | -20.8 | 179.2 | -62.1 | -175.9 | -170.8 | 167.6 | 0 | 113.2 | N1123 S1124 | N1123-K1126 PolarHBondContact O-N 2.85Å; N1123-K1126 WeakPolarHBondContact OD1-CD 3.05Å; N1123-K1126 WeakPolarHBondContact OD1-CG 3.2Å; S1124-K1126 VanDerWaalsContact C-N 3.25Å; S1124-K1126 PolarHBondContact O-N 3.23Å |
| 1127 | V | 86.4 | Confident | 86.9 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -95.8 | -40.7 | -173.8 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | I1050 I1121 N1123 S1124 A1223 | I1050-V1127 HydrophobicContact CD1-CB 4.38Å; I1050-V1127 HydrophobicContact CD1-CG1 3.85Å; I1050-V1127 HydrophobicContact CD1-CG2 4.02Å; I1121-V1127 HydrophobicContact CG2-CB 4.23Å; I1121-V1127 HydrophobicContact CG2-CG1 3.74Å; N1123-V1127 WeakPolarHBondContact O-CG2 3.42Å; N1123-V1127 PolarHBondContact O-N 3.28Å; N1123-V1127 VanDerWaalsContact O-N 3.15Å; S1124-V1127 PolarHBondContact O-N 2.95Å; V1127-A1223 HydrophobicContact CG1-CB 3.63Å |
| 1128 | V | 88.2 | Confident | 86 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -99.2 | 122.6 | -172 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | M1068 N1070 I1121 S1124 | M1068-V1128 HydrophobicContact CB-CG1 4.33Å; N1070-V1128 WeakPolarHBondContact OD1-CG1 3.29Å; I1121-V1128 HydrophobicContact CB-CG2 4.22Å; I1121-V1128 HydrophobicContact CD1-CG2 3.49Å; I1121-V1128 VanDerWaalsContact CD1-CG2 3.49Å; I1121-V1128 HydrophobicContact CG1-CG2 4.44Å; I1121-V1128 HydrophobicContact CG2-CG2 4Å; S1124-V1128 WeakPolarHBondContact O-CB 3.35Å; S1124-V1128 PolarHBondContact O-N 2.82Å |
| 1129 | N | 88.9 | Confident | 84.5 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 45.9 | 51.3 | -176.5 | -164.9 | 20.2 | 0 | 0 | 0 | 115.8 | Y1067 M1068 F1069 R1131 E1132 L1133 | Y1067-N1129 HydrophobicContact CE1-CB 4.3Å; Y1067-N1129 WeakPolarHBondContact CE1-OD1 3.38Å; Y1067-N1129 VanDerWaalsContact OH-C 3.29Å; Y1067-N1129 WeakPolarHBondContact OH-CA 3.38Å; Y1067-N1129 PolarHBondContact OH-OD1 3.5Å; M1068-N1129 PolarHBondContact O-N 2.77Å; F1069-N1129 HydrophobicContact CD1-CB 3.87Å; F1069-N1129 HydrophobicContact CE1-CB 4.27Å; F1069-N1129 WeakPolarHBondContact CE1-OD1 3.43Å; N1129-R1131 PolarHBondContact O-N 2.86Å; N1129-E1132 PolarHBondContact O-N 3.43Å; N1129-L1133 PolarHBondContact ND2-N 2.81Å; N1129-L1133 PolarHBondContact ND2-O 2.83Å; N1129-L1133 PolarHBondContact OD1-N 2.91Å |
| 1130 | P | 84.5 | Confident | 82.5 | Confident | 51 Ų | 51 | 63 Ų | 63 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -1.7 | -174.1 | 27 | -37.4 | 0 | 0 | 0 | 115.9 | Y1064 Y1067 | Y1064-P1130 HydrophobicContact CE1-CG 3.69Å; Y1067-P1130 HydrophobicContact CE2-CG 4.06Å |
| 1131 | R | 83.1 | Confident | 80.3 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 11.3 | 173.6 | -64.6 | -177.3 | 136.5 | -133.9 | -10.9 | 113.6 | Y1064 Y1067 N1129 L1133 | Y1064-R1131 HydrophobicContact CE2-CG 4.31Å; Y1067-R1131 WeakPolarHBondContact OH-CB 3.29Å; Y1067-R1131 PolarHBondContact OH-N 2.89Å; Y1067-R1131 VanDerWaalsContact OH-N 3.11Å; N1129-R1131 PolarHBondContact O-N 2.86Å; R1131-L1133 HydrophobicContact CB-CD1 4.43Å; R1131-L1133 HydrophobicContact CB-CD2 4.15Å; R1131-L1133 HydrophobicContact CB-CG 3.95Å; R1131-L1133 PolarHBondContact O-N 3.44Å; R1131-L1133 VanDerWaalsContact O-N 3.1Å |
| 1132 | E | 83.9 | Confident | 78 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | trans | 50.6 | 37.1 | 178.4 | -60 | 176.1 | -174.4 | 0 | 0 | 113.2 | N1129 | N1129-E1132 PolarHBondContact O-N 3.43Š| ||
| 1133 | L | 85.6 | Confident | 75.8 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | trans | -72.3 | 149.2 | -179.4 | -56.2 | 175.8 | 0 | 0 | 0 | 109.7 | M1008 V1015 Y1067 F1069 N1129 R1131 P1135 W1247 | M1008-L1133 HydrophobicContact CE-CD1 3.93Å; V1015-L1133 HydrophobicContact CG2-CB 4.4Å; V1015-L1133 HydrophobicContact CG2-CD1 4.4Å; V1015-L1133 HydrophobicContact CG2-CD2 4.23Å; Y1067-L1133 HydrophobicContact CE1-CD1 4.2Å; F1069-L1133 HydrophobicContact CE1-CB 4.08Å; F1069-L1133 HydrophobicContact CZ-CB 4.44Å; N1129-L1133 PolarHBondContact ND2-N 2.81Å; N1129-L1133 PolarHBondContact ND2-O 2.83Å; N1129-L1133 PolarHBondContact OD1-N 2.91Å; R1131-L1133 HydrophobicContact CB-CD1 4.43Å; R1131-L1133 HydrophobicContact CB-CD2 4.15Å; R1131-L1133 HydrophobicContact CB-CG 3.95Å; R1131-L1133 PolarHBondContact O-N 3.44Å; R1131-L1133 VanDerWaalsContact O-N 3.1Å; L1133-P1135 WeakPolarHBondContact O-CD 3.03Å; L1133-W1247 HydrophobicContact CD1-CZ3 4.44Å | ||
| 1134 | I | 85.4 | Confident | 73.4 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 97 | 173.5 | -63.8 | 168.3 | 0 | 0 | 0 | 108.2 | K1013 R1014 V1015 W1085 M1136 | K1013-I1134 PolarHBondContact O-N 2.75Å; R1014-I1134 CarbonylContact C-O 3.52Å; R1014-I1134 WeakPolarHBondContact CA-O 3.46Å; R1014-I1134 HydrophobicContact CB-CB 4.49Å; R1014-I1134 HydrophobicContact CG-CB 4Å; R1014-I1134 HydrophobicContact CG-CD1 4.32Å; R1014-I1134 HydrophobicContact CG-CG2 3.85Å; V1015-I1134 PolarHBondContact N-O 2.95Å; W1085-I1134 HydrophobicContact CH2-CG2 3.95Å; W1085-I1134 HydrophobicContact CZ2-CG2 4.48Å; I1134-M1136 HydrophobicContact CG2-CE 4.27Å |
| 1135 | P | 87.2 | Confident | 71.1 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.019 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 138.6 | -178.7 | 28.6 | -37.4 | 0 | 0 | 0 | 112.7 | V1015 V1017 F1069 E1071 I1072 R1073 W1085 L1133 | V1015-P1135 CarbonylContact O-C 3.52Å; V1015-P1135 WeakPolarHBondContact O-CA 3.33Å; V1017-P1135 HydrophobicContact CG1-CB 3.54Å; F1069-P1135 HydrophobicContact CB-CG 4.37Å; F1069-P1135 HydrophobicContact CD1-CB 3.91Å; F1069-P1135 HydrophobicContact CD1-CG 3.49Å; F1069-P1135 VanDerWaalsContact CD1-CG 3.49Å; F1069-P1135 HydrophobicContact CD2-CB 4.08Å; F1069-P1135 HydrophobicContact CD2-CG 4.36Å; F1069-P1135 HydrophobicContact CE1-CB 3.77Å; F1069-P1135 HydrophobicContact CE1-CG 3.74Å; F1069-P1135 HydrophobicContact CE2-CB 3.97Å; F1069-P1135 HydrophobicContact CG-CB 4.06Å; F1069-P1135 HydrophobicContact CG-CG 3.84Å; F1069-P1135 HydrophobicContact CZ-CB 3.82Å; F1069-P1135 HydrophobicContact CZ-CG 4.3Å; E1071-P1135 WeakPolarHBondContact O-CG 3.42Å; I1072-P1135 HydrophobicContact CB-CB 4.37Å; I1072-P1135 HydrophobicContact CB-CG 4.37Å; I1072-P1135 HydrophobicContact CG2-CB 3.93Å; I1072-P1135 HydrophobicContact CG2-CG 4Å; R1073-P1135 VanDerWaalsContact CB-O 3.27Å; R1073-P1135 WeakPolarHBondContact CB-O 3.44Å; R1073-P1135 PolarHBondContact N-O 3.14Å; W1085-P1135 HydrophobicContact CZ3-CG 4.3Å; L1133-P1135 WeakPolarHBondContact O-CD 3.03Å |
| 1136 | M | 84.8 | Confident | 68.6 | Low | 23 Ų | 23 | 80.3 Ų | 80.3 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.3 | 174 | -63.5 | -173.5 | 160.1 | 0 | 0 | 110.9 | R1014 V1015 I1016 V1017 R1073 I1134 | R1014-M1136 HydrophobicContact CB-CE 4.27Å; R1014-M1136 HydrophobicContact CB-SD 4.08Å; R1014-M1136 VanDerWaalsContact CD-CE 3.48Å; R1014-M1136 HydrophobicContact CG-CE 3.84Å; R1014-M1136 HydrophobicContact CG-SD 4.31Å; V1015-M1136 PolarHBondContact O-N 3.02Å; I1016-M1136 CarbonylContact C-O 3.55Å; I1016-M1136 VanDerWaalsContact CA-O 3.25Å; I1016-M1136 WeakPolarHBondContact CA-O 3.41Å; V1017-M1136 PolarHBondContact N-O 3.4Å; R1073-M1136 HydrophobicContact CB-CG 4.24Å; R1073-M1136 CarbonylContact O-C 3.47Å; R1073-M1136 VanDerWaalsContact O-CA 3.28Å; R1073-M1136 WeakPolarHBondContact O-CA 3.11Å; I1134-M1136 HydrophobicContact CG2-CE 4.27Å |
| 1137 | D | 80.9 | Confident | 66.1 | Low | 34 Ų | 34 | 84.5 Ų | 84.5 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | trans | -113.9 | 102.8 | 168.1 | -161.6 | -10.7 | 0 | 0 | 0 | 109.7 | V1017 R1073 A1074 P1075 | V1017-D1137 HydrophobicContact CG2-CB 3.81Å; R1073-D1137 PolarHBondContact O-N 2.89Å; A1074-D1137 HydrophobicContact CB-CB 4.1Å; P1075-D1137 WeakPolarHBondContact CD-O 3.36Å | ||
| 1138 | V | 69.8 | Low | 63.5 | Low | 28 Ų | 28 | 86.6 Ų | 86.6 | 17% | 0.17 | 41% | 0.412 | C | S | . | . | trans | -113 | -4.3 | -173.8 | -90.7 | 0 | 0 | 0 | 0 | 113.3 | I1016 L1083 T1140 V1141 | I1016-V1138 HydrophobicContact CD1-CG2 3.92Å; I1016-V1138 HydrophobicContact CG1-CG2 3.95Å; I1016-V1138 HydrophobicContact CG2-CG2 3.91Å; L1083-V1138 HydrophobicContact CD1-CG1 4.04Å; L1083-V1138 HydrophobicContact CD2-CG1 4.22Å; V1138-T1140 PolarHBondContact O-N 2.88Å; V1138-V1141 PolarHBondContact O-N 2.69Å; V1138-V1141 VanDerWaalsContact O-N 3.09Å | ||
| 1139 | N | 58.3 | Low | 60.7 | Low | 87 Ų | 87 | 92.3 Ų | 92.3 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.4 | -23.9 | -174.8 | -70.4 | -30.5 | 0 | 0 | 0 | 112.9 | S1018 V1141 | S1018-N1139 VanDerWaalsContact CB-ND2 3.3Å; S1018-N1139 WeakPolarHBondContact CB-ND2 3.37Å; S1018-N1139 PolarHBondContact OG-ND2 3.19Å; N1139-V1141 VanDerWaalsContact C-N 3.32Å |
| 1140 | T | 50.6 | Low | 57.7 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -26.3 | 172.4 | 40.6 | 0 | 0 | 0 | 0 | 113.3 | P1075 V1138 S1143 | P1075-T1140 WeakPolarHBondContact CG-OG1 3.38Å; V1138-T1140 PolarHBondContact O-N 2.88Å; T1140-S1143 PolarHBondContact O-OG 3.3Å |
| 1141 | V | 47 | Very low | 55 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 24% | 0.242 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -79.3 | -42.5 | -179.5 | -177 | 0 | 0 | 0 | 0 | 111.9 | P1075 Y1081 V1138 N1139 S1143 | P1075-V1141 HydrophobicContact CB-CG2 4.09Å; P1075-V1141 HydrophobicContact CG-CG2 3.91Å; Y1081-V1141 HydrophobicContact CD1-CG1 4.17Å; V1138-V1141 PolarHBondContact O-N 2.69Å; V1138-V1141 VanDerWaalsContact O-N 3.09Å; N1139-V1141 VanDerWaalsContact C-N 3.32Å; V1141-S1143 PolarHBondContact O-N 2.9Å |
| 1142 | Y | 42.8 | Very low | 52.2 | Low | 179 Ų | 179 | 106.7 Ų | 106.7 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77.6 | -18 | -173.7 | -78.1 | -81.6 | 0 | 0 | 0 | 114.5 | ||
| 1143 | S | 43.3 | Very low | 49.6 | Very low | 76 Ų | 76 | 105.8 Ų | 105.8 | 53% | 0.531 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72 | -35.7 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | T1140 V1141 K1145 | T1140-S1143 PolarHBondContact O-OG 3.3Å; V1141-S1143 PolarHBondContact O-N 2.9Å; S1143-K1145 PolarHBondContact O-N 2.76Å |
| 1144 | R | 37.6 | Very low | 46.8 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.3 | -35 | -178.5 | -66.9 | -167.6 | -174.9 | -172.9 | 7 | 113.1 | D1079 R1146 R1147 | D1079-R1144 IonicContact OD1-CZ 2.79Å; D1079-R1144 IonicContact OD1-NH1 3.24Å; D1079-R1144 PolarHBondContact OD1-NH1 3.48Å; D1079-R1144 IonicContact OD1-NH2 3.33Å; D1079-R1144 PolarHBondContact OD1-NH2 2.94Å; R1144-R1146 PolarHBondContact O-N 2.91Å; R1144-R1146 VanDerWaalsContact O-N 3.16Å; R1144-R1147 PolarHBondContact O-N 2.8Å |
| 1145 | K | 37.1 | Very low | 44.1 | Very low | 183 Ų | 183 | 119.9 Ų | 119.9 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -21 | -177.7 | -104.2 | -172.7 | 178.6 | -178.6 | 0 | 115.2 | S1143 | S1143-K1145 PolarHBondContact O-N 2.76Š|
| 1146 | R | 32 | Very low | 41.1 | Very low | 236 Ų | 236 | 125.8 Ų | 125.8 | 89% | 0.891 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -12.2 | 178.8 | -97.7 | -173 | 179.1 | 176.1 | 0.9 | 115.4 | R1144 | R1144-R1146 PolarHBondContact O-N 2.91Å; R1144-R1146 VanDerWaalsContact O-N 3.16Å |
| 1147 | R | 30.9 | Very low | 38.3 | Very low | 239 Ų | 239 | 133.3 Ų | 133.3 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -8.9 | 175 | -78.4 | -175.3 | 172.1 | 171.1 | -3 | 114.1 | R1144 V1149 | R1144-R1147 PolarHBondContact O-N 2.8Å; R1147-V1149 PolarHBondContact O-N 3.4Å |
| 1148 | G | 31.3 | Very low | 35.7 | Very low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -81.1 | -3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1149 | V | 28.9 | Very low | 33.6 | Very low | 129 Ų | 129 | 143 Ų | 143 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | trans | -135.2 | 68.8 | -175.5 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | R1147 | R1147-V1149 PolarHBondContact O-N 3.4Š| ||
| 1150 | L | 27.3 | Very low | 32 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -145.8 | 93 | 152.8 | -149.8 | 71.3 | 0 | 0 | 0 | 110.1 | ||
| 1151 | T | 28 | Very low | 30.8 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | trans | 25.7 | 105.4 | 154.7 | 50.8 | 0 | 0 | 0 | 0 | 118.4 | T1153 | T1151-T1153 PolarHBondContact O-N 2.79Š| ||
| 1152 | K | 24.6 | Very low | 29.7 | Very low | 216 Ų | 216 | 156.7 Ų | 156.7 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | trans | -57.6 | 120.8 | 149.5 | -71.7 | 177.3 | 172.2 | -177 | 0 | 109.1 | ||||
| 1153 | T | 27.7 | Very low | 28.8 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | -131.7 | 120.7 | 156.5 | 44.5 | 0 | 0 | 0 | 0 | 108.1 | T1151 | T1151-T1153 PolarHBondContact O-N 2.79Š| ||
| 1154 | H | 26.5 | Very low | 27.8 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 3.6 | 119.6 | 160.7 | -64.6 | -96.9 | 0 | 0 | 0 | 117.4 | ||||
| 1155 | E | 28.6 | Very low | 27.2 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | -163.6 | 111.5 | 110.2 | -103.2 | 160.7 | -152.4 | 0 | 0 | 108.9 | |||||
| 1156 | T | 24.7 | Very low | 26.8 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -127.7 | 121.4 | 174.9 | 45.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1157 | E | 26.2 | Very low | 26.5 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -167 | 130.7 | 148.5 | -109.5 | 173.5 | -160.5 | 0 | 0 | 111.9 | ||||
| 1158 | I | 25.7 | Very low | 26.3 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | trans | 86.1 | 109.6 | 137.9 | -69.2 | 163.8 | 0 | 0 | 0 | 119.9 | ||||
| 1159 | N | 25.8 | Very low | 26 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 80.8 | 122.5 | 141.3 | -70.5 | 10.3 | 0 | 0 | 0 | 119.8 | ||||
| 1160 | I | 24.5 | Very low | 25.8 | Very low | 134 Ų | 134 | 155.8 Ų | 155.8 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | cis | 57.7 | 103.3 | 25.2 | -44.4 | 177.5 | 0 | 0 | 0 | 110.1 | ||||
| 1161 | E | 25.7 | Very low | 25.6 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | cis | -174.5 | 152.7 | 35.2 | -132 | 161.3 | -142 | 0 | 0 | 108.3 | ||||
| 1162 | K | 24.3 | Very low | 25.3 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 157.8 | 88 | 132.1 | -87.6 | 174.7 | -179.6 | -179.5 | 0 | 114.4 | ||||
| 1163 | S | 23.6 | Very low | 25.4 | Very low | 87 Ų | 87 | 153.9 Ų | 153.9 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | -12 | 134.5 | 128.7 | 45.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1164 | F | 23.5 | Very low | 25.3 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | 62.1 | 109.7 | 133.4 | -60.1 | -59.3 | 0 | 0 | 0 | 122.1 | ||||
| 1165 | M | 25.3 | Very low | 25.2 | Very low | 182 Ų | 182 | 156.9 Ų | 156.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | -132.7 | 116.4 | 121.9 | -70.8 | -63.3 | -174.8 | 0 | 0 | 105.5 | |||||
| 1166 | N | 28.5 | Very low | 25.1 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | 32.7 | 117.9 | 98.2 | -85.2 | 7 | 0 | 0 | 0 | 114.6 | |||||
| 1167 | N | 26 | Very low | 25.1 | Very low | 134 Ų | 134 | 154 Ų | 154 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | 77.7 | 94.1 | 54.7 | -75.7 | -0.2 | 0 | 0 | 0 | 112.6 | |||||
| 1168 | D | 26 | Very low | 25.1 | Very low | 169 Ų | 169 | 153.9 Ų | 153.9 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -118.5 | 137.6 | 148.4 | -79.2 | -51.1 | 0 | 0 | 0 | 108.2 | ||||
| 1169 | N | 24.6 | Very low | 25 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -96.6 | 118.4 | 179.1 | -67.1 | -50.6 | 0 | 0 | 0 | 109.3 | ||||
| 1170 | E | 23.8 | Very low | 25 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -108.6 | 134.3 | 155.4 | -77.3 | -165.8 | 149.6 | 0 | 0 | 109.7 | F1172 | E1170-F1172 PolarHBondContact O-N 3.09Š| ||
| 1171 | S | 23.8 | Very low | 25 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -75.6 | 122 | -168.4 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | T1173 | S1171-T1173 PolarHBondContact O-N 2.89Š| ||
| 1172 | F | 22.7 | Very low | 24.9 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -66.5 | 123.8 | 166.8 | -71.6 | -99.2 | 0 | 0 | 0 | 110.2 | E1170 | E1170-F1172 PolarHBondContact O-N 3.09Š| ||
| 1173 | T | 26.2 | Very low | 25 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -92.1 | 116 | 161.1 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | S1171 | S1171-T1173 PolarHBondContact O-N 2.89Š| ||
| 1174 | E | 25.4 | Very low | 25 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -77 | 119.9 | 171.2 | -64.6 | -175.6 | 132.6 | 0 | 0 | 110.2 | ||||
| 1175 | D | 25 | Very low | 25.1 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | 179.9 | 143.7 | 155.1 | -97.1 | -30.1 | 0 | 0 | 0 | 107 | ||||
| 1176 | S | 26 | Very low | 25 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 83% | 0.826 | S | S | * | * | cis | -151.5 | 135.7 | -6.3 | 50.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1177 | I | 24.8 | Very low | 24.9 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -114.8 | 105.7 | 179.5 | -64 | 176.3 | 0 | 0 | 0 | 109.2 | T1179 | I1177-T1179 PolarHBondContact O-N 3.28Š| ||
| 1178 | E | 24.9 | Very low | 24.8 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | trans | -62.7 | 123.5 | 176.4 | -69.5 | -172.2 | 133.4 | 0 | 0 | 111.6 | I1180 | E1178-I1180 PolarHBondContact O-N 3.05Š| ||
| 1179 | T | 25.2 | Very low | 24.9 | Very low | 131 Ų | 131 | 144 Ų | 144 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -78.7 | 101.2 | 178.7 | 22.3 | 0 | 0 | 0 | 0 | 110.7 | I1177 Q1181 | I1177-T1179 PolarHBondContact O-N 3.28Å; T1179-Q1181 PolarHBondContact O-N 3.06Å | ||
| 1180 | I | 25.4 | Very low | 24.9 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 80% | 0.795 | 84% | 0.837 | S | S | * | * | trans | -67.8 | 98.3 | 174.5 | -59.8 | 172.8 | 0 | 0 | 0 | 109.9 | E1178 S1182 | E1178-I1180 PolarHBondContact O-N 3.05Å; I1180-S1182 PolarHBondContact O-N 3.35Å | ||
| 1181 | Q | 24.2 | Very low | 25.2 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -66.7 | 117 | 169.9 | -77.2 | -174.1 | -24.1 | 0 | 0 | 110.4 | T1179 | T1179-Q1181 PolarHBondContact O-N 3.06Š| ||
| 1182 | S | 24.6 | Very low | 25.7 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | -114.9 | 87 | 176.9 | 39 | 0 | 0 | 0 | 0 | 110.2 | I1180 S1184 | I1180-S1182 PolarHBondContact O-N 3.35Å; S1182-S1184 PolarHBondContact O-N 3.42Å | ||
| 1183 | S | 25.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -78.3 | 115 | 174.5 | 58.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1184 | S | 24.1 | Very low | 26.3 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -66.3 | 130.9 | 177 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | S1182 | S1182-S1184 PolarHBondContact O-N 3.42Š| ||
| 1185 | S | 24 | Very low | 26.8 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -123.6 | 128.6 | 153.8 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1186 | S | 23.3 | Very low | 27.3 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -77.5 | 123.6 | -175 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1187 | S | 26.6 | Very low | 27.8 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -121.2 | 115.9 | 156.5 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | S1189 | S1187-S1189 PolarHBondContact O-N 3.14Š| ||
| 1188 | S | 24.2 | Very low | 28.3 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -72 | 111.2 | -178.7 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1189 | S | 27.4 | Very low | 28.9 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -109.5 | 119.1 | 161.8 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | S1187 S1191 | S1187-S1189 PolarHBondContact O-N 3.14Å; S1189-S1191 PolarHBondContact O-N 2.85Å | ||
| 1190 | S | 26.3 | Very low | 29.5 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 120.6 | -176.1 | 53 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1191 | S | 30.3 | Very low | 30.5 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -127.9 | 150.4 | 161.7 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | S1189 | S1189-S1191 PolarHBondContact O-N 2.85Š| ||
| 1192 | P | 33.4 | Very low | 31.9 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -81 | 129.5 | -155 | -11 | 27.8 | 0 | 0 | 0 | 112.8 | I1194 | P1192-I1194 PolarHBondContact O-N 3.09Š| ||
| 1193 | K | 30.2 | Very low | 33.7 | Very low | 206 Ų | 206 | 142 Ų | 142 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -68.3 | 115.7 | 171.1 | -70.8 | 178.1 | 177.8 | 175.7 | 0 | 109.9 | ||||
| 1194 | I | 31.9 | Very low | 35.9 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -61.5 | 130.2 | 169.8 | -63 | 171.2 | 0 | 0 | 0 | 108.1 | P1192 V1196 | P1192-I1194 PolarHBondContact O-N 3.09Å; I1194-V1196 PolarHBondContact O-N 3.36Å | ||
| 1195 | P | 34.5 | Very low | 38.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | trans | -74.1 | 91.2 | -177.2 | 30 | -34.6 | 0 | 0 | 0 | 110.2 | I1197 | P1195-I1197 PolarHBondContact O-N 3.19Š| ||
| 1196 | V | 35.5 | Very low | 41.6 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 75% | 0.745 | 70% | 0.696 | S | S | * | * | trans | -62.3 | 111.3 | 164.2 | 178.7 | 0 | 0 | 0 | 0 | 107 | I1194 Q1198 | I1194-V1196 PolarHBondContact O-N 3.36Å; V1196-Q1198 VanDerWaalsContact C-N 3.35Å; V1196-Q1198 PolarHBondContact O-N 3.25Å | ||
| 1197 | I | 36.4 | Very low | 44.7 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -60.2 | 98.5 | 178.5 | -62.1 | 168.3 | 0 | 0 | 0 | 107.4 | P1195 F1199 | P1195-I1197 PolarHBondContact O-N 3.19Å; I1197-F1199 PolarHBondContact O-N 3.1Å | ||
| 1198 | Q | 35.7 | Very low | 47.6 | Very low | 178 Ų | 178 | 118.8 Ų | 118.8 | 83% | 0.832 | 62% | 0.621 | S | S | * | * | trans | -68 | 98.5 | 175.2 | -76.4 | -175.5 | -26.3 | 0 | 0 | 108 | V1196 R1200 | V1196-Q1198 VanDerWaalsContact C-N 3.35Å; V1196-Q1198 PolarHBondContact O-N 3.25Å; Q1198-R1200 VanDerWaalsContact C-N 3.31Å; Q1198-R1200 PolarHBondContact O-N 2.75Å | ||
| 1199 | F | 37.5 | Very low | 50.6 | Low | 189 Ų | 189 | 112.8 Ų | 112.8 | 83% | 0.829 | 58% | 0.579 | S | S | * | * | trans | -53.8 | 105 | 154.6 | -72 | -79.9 | 0 | 0 | 0 | 106.7 | I1197 R1201 | I1197-F1199 PolarHBondContact O-N 3.1Å; F1199-R1201 PolarHBondContact O-N 2.83Å | ||
| 1200 | R | 39.3 | Very low | 53.3 | Low | 227 Ų | 227 | 114 Ų | 114 | 86% | 0.857 | 58% | 0.576 | S | S | * | * | trans | -67.4 | 84.8 | 177.2 | -169 | 174.7 | -173.2 | 165.6 | 1.5 | 107.3 | Q1198 L1202 | Q1198-R1200 VanDerWaalsContact C-N 3.31Å; Q1198-R1200 PolarHBondContact O-N 2.75Å; R1200-L1202 PolarHBondContact O-N 2.67Å | ||
| 1201 | R | 44.9 | Very low | 56.1 | Low | 228 Ų | 228 | 114.1 Ų | 114.1 | 86% | 0.86 | 56% | 0.557 | S | S | * | * | trans | -45.6 | 131.4 | 169.6 | -85.2 | -177.4 | 168.2 | 169.2 | -4 | 106.7 | F1199 Q1203 | F1199-R1201 PolarHBondContact O-N 2.83Å; R1201-Q1203 PolarHBondContact O-N 2.92Å | ||
| 1202 | L | 54.3 | Low | 58.4 | Low | 86 Ų | 86 | 112.7 Ų | 112.7 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 133.9 | 171.6 | -77.8 | 103.3 | 0 | 0 | 0 | 107.6 | R1200 K1204 | R1200-L1202 PolarHBondContact O-N 2.67Å; L1202-K1204 PolarHBondContact O-N 3.19Å; L1202-K1204 VanDerWaalsContact O-N 3.16Å |
| 1203 | Q | 62.1 | Low | 60.2 | Low | 138 Ų | 138 | 107.5 Ų | 107.5 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 123.8 | 176.2 | -69.4 | 176.6 | -81.9 | 0 | 0 | 107.6 | R1201 | R1201-Q1203 PolarHBondContact O-N 2.92Š|
| 1204 | K | 73 | Confident | 62.3 | Low | 67 Ų | 67 | 102.3 Ų | 102.3 | 29% | 0.291 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 155.1 | 175.2 | -53.5 | -179.8 | -177.1 | 173.5 | 0 | 109.8 | L1202 N1214 D1258 D1260 T1291 | L1202-K1204 PolarHBondContact O-N 3.19Å; L1202-K1204 VanDerWaalsContact O-N 3.16Å; K1204-N1214 PolarHBondContact O-ND2 3.18Å; K1204-D1258 HydrophobicContact CB-CB 4.21Å; K1204-D1258 HydrophobicContact CG-CB 3.97Å; K1204-D1260 VanDerWaalsContact CD-CG 3.45Å; K1204-D1260 WeakPolarHBondContact CD-OD1 3.35Å; K1204-D1260 WeakPolarHBondContact CD-OD2 3.35Å; K1204-D1260 IonicContact NZ-OD1 2.81Å; K1204-D1260 PolarHBondContact NZ-OD1 3.2Å; K1204-D1260 IonicContact NZ-OD2 3.45Å; K1204-D1260 PolarHBondContact NZ-OD2 3.3Å; K1204-T1291 HydrophobicContact CD-CG2 4.45Å; K1204-T1291 PolarHBondContact NZ-OG1 2.83Å |
| 1205 | E | 81.8 | Confident | 64.2 | Low | 2 Ų | 2 | 99.8 Ų | 99.8 | 1% | 0.009 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.2 | 166.7 | -156.9 | 63.2 | -146 | 0 | 0 | 109.1 | F1207 G1213 N1214 R1215 I1216 I1256 D1258 V1259 D1260 | E1205-F1207 HydrophobicContact CG-CZ 4.39Å; E1205-G1213 VanDerWaalsContact OE1-C 3.3Å; E1205-G1213 VanDerWaalsContact OE1-CA 3.28Å; E1205-G1213 WeakPolarHBondContact OE1-CA 3.28Å; E1205-N1214 PolarHBondContact OE1-N 2.87Å; E1205-R1215 PolarHBondContact OE1-N 2.98Å; E1205-R1215 WeakPolarHBondContact OE2-CB 3.49Å; E1205-R1215 WeakPolarHBondContact OE2-CD 3.37Å; E1205-R1215 WeakPolarHBondContact OE2-CG 3.34Å; E1205-R1215 PolarHBondContact OE2-N 2.77Å; E1205-I1216 HydrophobicContact CG-CD1 3.93Å; E1205-I1216 HydrophobicContact CG-CG1 4.44Å; E1205-I1216 WeakPolarHBondContact OE1-CD1 3.05Å; E1205-I1216 WeakPolarHBondContact OE1-CG1 3.36Å; E1205-I1256 HydrophobicContact CB-CG2 3.56Å; E1205-I1256 HydrophobicContact CG-CD1 4.21Å; E1205-I1256 HydrophobicContact CG-CG2 4.27Å; E1205-D1258 PolarHBondContact N-O 3.02Å; E1205-V1259 CarbonylContact O-C 3.58Å; E1205-V1259 WeakPolarHBondContact O-CA 3.2Å; E1205-D1260 PolarHBondContact O-N 3.32Å |
| 1206 | V | 85.3 | Confident | 66.1 | Low | 25 Ų | 25 | 94.8 Ų | 94.8 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.9 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 108 | E1208 D1260 V1262 | V1206-E1208 HydrophobicContact CG1-CB 3.99Å; V1206-D1260 WeakPolarHBondContact CA-O 3.37Å; V1206-D1260 HydrophobicContact CG2-CB 4.4Å; V1206-V1262 HydrophobicContact CG1-CG2 3.67Å |
| 1207 | F | 87.2 | Confident | 68 | Low | 1 Ų | 1 | 95.9 Ų | 95.9 | 0% | 0.004 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105.8 | 168.4 | -66 | -67.4 | 0 | 0 | 0 | 108.3 | P1049 L1052 V1065 E1205 I1216 L1251 I1256 V1259 D1260 L1261 V1262 | P1049-F1207 HydrophobicContact CB-CB 4.31Å; P1049-F1207 HydrophobicContact CG-CB 3.99Å; L1052-F1207 HydrophobicContact CD2-CD1 4.37Å; L1052-F1207 HydrophobicContact CD2-CE1 3.69Å; V1065-F1207 HydrophobicContact CG1-CB 4.2Å; V1065-F1207 HydrophobicContact CG1-CD1 3.95Å; V1065-F1207 HydrophobicContact CG1-CD2 3.73Å; V1065-F1207 HydrophobicContact CG1-CE1 4.24Å; V1065-F1207 HydrophobicContact CG1-CE2 4.07Å; V1065-F1207 HydrophobicContact CG1-CG 3.69Å; V1065-F1207 HydrophobicContact CG1-CZ 4.32Å; V1065-F1207 HydrophobicContact CG2-CD1 4.21Å; V1065-F1207 HydrophobicContact CG2-CE1 4.07Å; E1205-F1207 HydrophobicContact CG-CZ 4.39Å; F1207-I1216 HydrophobicContact CD1-CD1 3.7Å; F1207-I1216 HydrophobicContact CE1-CD1 3.28Å; F1207-I1216 HydrophobicContact CE1-CG1 4.42Å; F1207-I1216 HydrophobicContact CZ-CD1 4.15Å; F1207-L1251 HydrophobicContact CE2-CD2 3.75Å; F1207-L1251 HydrophobicContact CZ-CD2 3.98Å; F1207-I1256 HydrophobicContact CZ-CD1 4.08Å; F1207-V1259 HydrophobicContact CD2-CG1 3.42Å; F1207-V1259 VanDerWaalsContact CD2-CG1 3.42Å; F1207-V1259 HydrophobicContact CE2-CG1 3.57Å; F1207-V1259 HydrophobicContact CE2-CG2 4.12Å; F1207-D1260 PolarHBondContact N-O 3.19Å; F1207-L1261 HydrophobicContact CB-CD1 4.06Å; F1207-V1262 PolarHBondContact O-N 2.95Å |
| 1208 | E | 88.5 | Confident | 70.2 | Confident | 22 Ų | 22 | 93.5 Ų | 93.5 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | trans | -141.1 | 136.4 | -177.2 | 177.9 | -178.3 | 161.4 | 0 | 0 | 108.2 | V1206 R1211 P1220 V1262 I1264 Y1287 | V1206-E1208 HydrophobicContact CG1-CB 3.99Å; E1208-R1211 HydrophobicContact CB-CB 3.97Å; E1208-R1211 VanDerWaalsContact CD-CD 3.46Å; E1208-R1211 HydrophobicContact CG-CB 4.04Å; E1208-R1211 PolarHBondContact O-N 3.4Å; E1208-R1211 WeakPolarHBondContact OE2-CD 3.38Å; E1208-R1211 IonicContact OE2-CZ 2.68Å; E1208-R1211 IonicContact OE2-NE 3.74Å; E1208-R1211 IonicContact OE2-NH1 3.62Å; E1208-R1211 PolarHBondContact OE2-NH1 3.01Å; E1208-P1220 WeakPolarHBondContact O-CD 3.24Å; E1208-V1262 HydrophobicContact CB-CB 3.8Å; E1208-V1262 HydrophobicContact CB-CG1 4.38Å; E1208-V1262 HydrophobicContact CB-CG2 4.03Å; E1208-V1262 HydrophobicContact CG-CB 3.94Å; E1208-V1262 HydrophobicContact CG-CG1 3.96Å; E1208-V1262 HydrophobicContact CG-CG2 4.4Å; E1208-I1264 HydrophobicContact CG-CD1 4.06Å; E1208-I1264 HydrophobicContact CG-CG1 4.45Å; E1208-Y1287 WeakPolarHBondContact OE1-CE1 3.18Å | ||
| 1209 | C | 87.1 | Confident | 72.6 | Confident | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 141.3 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | L1047 R1211 C1222 I1264 | L1047-C1209 HydrophobicContact CB-CB 4.15Å; L1047-C1209 HydrophobicContact CD1-CB 4.46Å; C1209-R1211 PolarHBondContact O-N 3.07Å; C1209-R1211 VanDerWaalsContact O-N 3.07Å; C1209-C1222 WeakPolarHBondContact CA-SG 3.04Å; C1209-C1222 HydrophobicContact CB-CB 4.04Å; C1209-C1222 WeakPolarHBondContact CB-SG 3.45Å; C1209-C1222 WeakPolarHBondContact SG-CB 3.44Å; C1209-C1222 CovalentContact SG-SG 2.03Å; C1209-C1222 PolarHBondContact SG-SG 3.38Å; C1209-I1264 HydrophobicContact CB-CD1 3.86Å |
| 1210 | N | 84.8 | Confident | 75 | Confident | 140 Ų | 140 | 78.5 Ų | 78.5 | 75% | 0.749 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 2.7 | -176.4 | -50.6 | -35.4 | 0 | 0 | 0 | 116 | ||
| 1211 | R | 83.6 | Confident | 77.3 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | trans | -111.5 | 135.3 | 176.9 | -172.9 | -180 | -178.1 | 168.4 | 4.4 | 111.6 | E1208 C1209 P1219 | E1208-R1211 HydrophobicContact CB-CB 3.97Å; E1208-R1211 VanDerWaalsContact CD-CD 3.46Å; E1208-R1211 HydrophobicContact CG-CB 4.04Å; E1208-R1211 PolarHBondContact O-N 3.4Å; E1208-R1211 WeakPolarHBondContact OE2-CD 3.38Å; E1208-R1211 IonicContact OE2-CZ 2.68Å; E1208-R1211 IonicContact OE2-NE 3.74Å; E1208-R1211 IonicContact OE2-NH1 3.62Å; E1208-R1211 PolarHBondContact OE2-NH1 3.01Å; C1209-R1211 PolarHBondContact O-N 3.07Å; C1209-R1211 VanDerWaalsContact O-N 3.07Å; R1211-P1219 WeakPolarHBondContact O-CA 3.46Å | ||
| 1212 | V | 79.5 | Confident | 79.6 | Confident | 76 Ų | 76 | 62 Ų | 62 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | trans | -81.5 | 132.8 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | I1216 | V1212-I1216 WeakPolarHBondContact CG1-O 2.93Š| ||
| 1213 | G | 71.5 | Confident | 81.4 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | -74.3 | -177.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1205 | E1205-G1213 VanDerWaalsContact OE1-C 3.3Å; E1205-G1213 VanDerWaalsContact OE1-CA 3.28Å; E1205-G1213 WeakPolarHBondContact OE1-CA 3.28Å | ||
| 1214 | N | 73.8 | Confident | 83 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -80.6 | -25.2 | 176.6 | -68.9 | -49.2 | 0 | 0 | 0 | 112.7 | K1204 E1205 | K1204-N1214 PolarHBondContact O-ND2 3.18Å; E1205-N1214 PolarHBondContact OE1-N 2.87Å |
| 1215 | R | 72.4 | Confident | 84 | Confident | 97 Ų | 97 | 51.6 Ų | 51.6 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -122.3 | 5.3 | -177.2 | -61.9 | 177.3 | -176.4 | -168.7 | 9.7 | 113.8 | E1205 H1255 | E1205-R1215 PolarHBondContact OE1-N 2.98Å; E1205-R1215 WeakPolarHBondContact OE2-CB 3.49Å; E1205-R1215 WeakPolarHBondContact OE2-CD 3.37Å; E1205-R1215 WeakPolarHBondContact OE2-CG 3.34Å; E1205-R1215 PolarHBondContact OE2-N 2.77Å; R1215-H1255 PolarHBondContact NH1-O 3.2Å |
| 1216 | I | 74.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | trans | -118.4 | 136.1 | -174.8 | -49.3 | 160.7 | 0 | 0 | 0 | 105.9 | L1052 D1056 E1205 F1207 V1212 K1218 | L1052-I1216 HydrophobicContact CD2-CD1 4.46Å; L1052-I1216 HydrophobicContact CD2-CG2 4.41Å; D1056-I1216 HydrophobicContact CB-CG2 4.23Å; D1056-I1216 VanDerWaalsContact CG-CG2 3.48Å; D1056-I1216 WeakPolarHBondContact OD2-CG2 3.36Å; E1205-I1216 HydrophobicContact CG-CD1 3.93Å; E1205-I1216 HydrophobicContact CG-CG1 4.44Å; E1205-I1216 WeakPolarHBondContact OE1-CD1 3.05Å; E1205-I1216 WeakPolarHBondContact OE1-CG1 3.36Å; F1207-I1216 HydrophobicContact CD1-CD1 3.7Å; F1207-I1216 HydrophobicContact CE1-CD1 3.28Å; F1207-I1216 HydrophobicContact CE1-CG1 4.42Å; F1207-I1216 HydrophobicContact CZ-CD1 4.15Å; V1212-I1216 WeakPolarHBondContact CG1-O 2.93Å; I1216-K1218 WeakPolarHBondContact CG2-O 3.33Å | ||
| 1217 | Q | 75.5 | Confident | 85.1 | Confident | 146 Ų | 146 | 53.2 Ų | 53.2 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -86 | -21.1 | -173.9 | -63.7 | -175.2 | 6.5 | 0 | 0 | 113 | D1056 | D1056-Q1217 PolarHBondContact OD2-N 2.92Š|
| 1218 | K | 82.4 | Confident | 85.4 | Confident | 89 Ų | 89 | 56 Ų | 56 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -133.1 | 159.3 | -179.6 | -83.5 | -179.5 | 171.2 | -172 | 0 | 111.8 | D1053 M1055 D1056 I1216 | D1053-K1218 HydrophobicContact CB-CB 3.81Å; D1053-K1218 HydrophobicContact CB-CD 4.09Å; D1053-K1218 WeakPolarHBondContact OD1-CD 3.02Å; D1053-K1218 IonicContact OD1-NZ 3.71Å; D1053-K1218 PolarHBondContact OD1-NZ 3.02Å; D1053-K1218 IonicContact OD2-NZ 2.95Å; M1055-K1218 HydrophobicContact CB-CD 4.28Å; M1055-K1218 HydrophobicContact CG-CD 4.03Å; D1056-K1218 PolarHBondContact OD2-N 3.42Å; I1216-K1218 WeakPolarHBondContact CG2-O 3.33Å |
| 1219 | P | 84.3 | Confident | 85.6 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 148.6 | 171.6 | 29.1 | -35.4 | 0 | 0 | 0 | 110.6 | R1211 | R1211-P1219 WeakPolarHBondContact O-CA 3.46Š|
| 1220 | P | 88.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 153.1 | 174.8 | 28.6 | -35.2 | 0 | 0 | 0 | 111.7 | P1049 E1051 E1208 | P1049-P1220 HydrophobicContact CB-CB 3.9Å; P1049-P1220 HydrophobicContact CB-CG 3.63Å; E1051-P1220 CarbonylContact O-C 3.22Å; E1051-P1220 WeakPolarHBondContact O-CA 3.25Å; E1051-P1220 WeakPolarHBondContact O-CB 3.03Å; E1208-P1220 WeakPolarHBondContact O-CD 3.24Å |
| 1221 | I | 88.8 | Confident | 85.7 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 129.5 | 167.4 | -56 | 174.6 | 0 | 0 | 0 | 107.5 | I1050 E1051 | I1050-I1221 VanDerWaalsContact CG1-O 3.25Å; I1050-I1221 WeakPolarHBondContact CG1-O 3.44Å; I1050-I1221 PolarHBondContact N-O 3.41Å; E1051-I1221 HydrophobicContact CB-CB 4.31Å; E1051-I1221 PolarHBondContact N-O 3.19Å; E1051-I1221 PolarHBondContact O-N 3.06Å |
| 1222 | C | 92.9 | Very high | 85.9 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.9 | -177.1 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | V1048 P1049 C1209 | V1048-C1222 CarbonylContact O-C 3.43Å; V1048-C1222 WeakPolarHBondContact O-CA 3.46Å; V1048-C1222 WeakPolarHBondContact O-CB 3.22Å; P1049-C1222 VanDerWaalsContact CA-SG 3.53Å; C1209-C1222 WeakPolarHBondContact CA-SG 3.04Å; C1209-C1222 HydrophobicContact CB-CB 4.04Å; C1209-C1222 WeakPolarHBondContact CB-SG 3.45Å; C1209-C1222 WeakPolarHBondContact SG-CB 3.44Å; C1209-C1222 CovalentContact SG-SG 2.03Å; C1209-C1222 PolarHBondContact SG-SG 3.38Å |
| 1223 | A | 92.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 138.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1047 V1048 I1050 V1127 | L1047-A1223 WeakPolarHBondContact CA-O 3.35Å; V1048-A1223 PolarHBondContact N-O 3.14Å; V1048-A1223 PolarHBondContact O-N 3.01Å; I1050-A1223 HydrophobicContact CD1-CB 4.15Å; I1050-A1223 HydrophobicContact CG2-CB 3.63Å; V1127-A1223 HydrophobicContact CG1-CB 3.63Å |
| 1224 | E | 94.7 | Very high | 87.1 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.4 | 170.3 | -173.3 | 176.4 | -152 | 0 | 0 | 108.7 | N1045 L1047 V1122 I1226 | N1045-E1224 PolarHBondContact ND2-OE1 2.87Å; N1045-E1224 VanDerWaalsContact OD1-CG 3.24Å; N1045-E1224 WeakPolarHBondContact OD1-CG 3.29Å; L1047-E1224 HydrophobicContact CD2-CB 4.04Å; L1047-E1224 HydrophobicContact CD2-CG 3.98Å; V1122-E1224 HydrophobicContact CB-CB 4.06Å; V1122-E1224 HydrophobicContact CG2-CB 3.92Å; V1122-E1224 HydrophobicContact CG2-CG 3.91Å; V1122-E1224 PolarHBondContact N-O 2.85Å; E1224-I1226 HydrophobicContact CG-CG1 4.36Å |
| 1225 | I | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 109.2 | -177.8 | -47.1 | 177.6 | 0 | 0 | 0 | 107.3 | V1046 V1048 M1068 P1090 C1119 I1120 I1121 V1242 | V1046-I1225 HydrophobicContact CB-CB 4.22Å; V1046-I1225 PolarHBondContact N-O 2.84Å; V1046-I1225 WeakPolarHBondContact O-CB 3.32Å; V1046-I1225 PolarHBondContact O-N 3.44Å; V1048-I1225 HydrophobicContact CG2-CD1 3.61Å; V1048-I1225 HydrophobicContact CG2-CG1 4.4Å; M1068-I1225 HydrophobicContact CE-CD1 4.11Å; P1090-I1225 HydrophobicContact CB-CG2 3.88Å; P1090-I1225 HydrophobicContact CG-CD1 3.88Å; P1090-I1225 HydrophobicContact CG-CG2 3.79Å; C1119-I1225 HydrophobicContact CB-CG2 4.13Å; I1120-I1225 CarbonylContact O-C 3.57Å; I1120-I1225 WeakPolarHBondContact O-CA 3.39Å; I1121-I1225 HydrophobicContact CG1-CG1 4.19Å; I1121-I1225 HydrophobicContact CG1-CG2 4.28Å; I1225-V1242 HydrophobicContact CD1-CG1 4.01Å; I1225-V1242 HydrophobicContact CD1-CG2 4.34Å |
| 1226 | I | 95.2 | Very high | 88.5 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.6 | -179.9 | -57.6 | 173.3 | 0 | 0 | 0 | 107.4 | C1119 I1120 V1122 E1224 | C1119-I1226 CarbonylContact C-O 3.51Å; C1119-I1226 WeakPolarHBondContact CA-O 3.43Å; I1120-I1226 HydrophobicContact CG1-CB 4.07Å; I1120-I1226 PolarHBondContact N-O 3.44Å; I1120-I1226 PolarHBondContact O-N 3.18Å; V1122-I1226 HydrophobicContact CG2-CD1 3.68Å; V1122-I1226 HydrophobicContact CG2-CG1 3.97Å; E1224-I1226 HydrophobicContact CG-CG1 4.36Å |
| 1227 | C | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.7 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 110 | T1043 M1044 V1092 S1118 C1119 I1240 | T1043-C1227 WeakPolarHBondContact CA-O 3.43Å; M1044-C1227 HydrophobicContact CB-CB 4.39Å; M1044-C1227 HydrophobicContact CE-CB 4.24Å; M1044-C1227 PolarHBondContact N-O 3.15Å; M1044-C1227 PolarHBondContact O-N 2.95Å; V1092-C1227 HydrophobicContact CG2-CB 3.98Å; S1118-C1227 CarbonylContact O-C 3.31Å; S1118-C1227 VanDerWaalsContact O-CA 3.3Å; S1118-C1227 WeakPolarHBondContact O-CA 3.5Å; C1119-C1227 HydrophobicContact CB-CB 4.12Å; C1119-C1227 WeakPolarHBondContact CB-SG 3.41Å; C1119-C1227 WeakPolarHBondContact SG-CB 3.49Å; C1119-C1227 CovalentContact SG-SG 2.04Å; C1119-C1227 PolarHBondContact SG-SG 2.98Å; C1227-I1240 HydrophobicContact CB-CD1 4.01Å |
| 1228 | H | 94.3 | Very high | 90 | Very high | 59 Ų | 59 | 48 Ų | 48 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.8 | 177.8 | -167.7 | 57.1 | 0 | 0 | 0 | 111 | V1042 T1043 G1117 S1118 D1230 | V1042-H1228 WeakPolarHBondContact O-CA 3.5Å; V1042-H1228 PolarHBondContact O-ND1 2.84Å; T1043-H1228 WeakPolarHBondContact CG2-ND1 3.4Å; G1117-H1228 CarbonylContact C-O 3.5Å; G1117-H1228 WeakPolarHBondContact CA-O 3.07Å; S1118-H1228 PolarHBondContact N-O 3.36Å; S1118-H1228 PolarHBondContact O-N 2.67Å; H1228-D1230 IonicContact CD2-OD1 3.26Å; H1228-D1230 PolarHBondContact CD2-OD1 3.29Å; H1228-D1230 IonicContact NE2-OD1 3.64Å |
| 1229 | V | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.5 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | V1042 M1044 V1092 V1116 E1231 L1232 V1238 | V1042-V1229 PolarHBondContact N-O 3.41Å; V1042-V1229 PolarHBondContact O-N 3.37Å; M1044-V1229 HydrophobicContact CE-CB 4.12Å; M1044-V1229 HydrophobicContact CE-CG2 3.45Å; M1044-V1229 VanDerWaalsContact CE-CG2 3.45Å; V1092-V1229 HydrophobicContact CG1-CG2 3.64Å; V1116-V1229 HydrophobicContact CG1-CG1 4.13Å; V1229-E1231 WeakPolarHBondContact CG1-O 3.42Å; V1229-L1232 HydrophobicContact CG1-CG 4.15Å; V1229-V1238 HydrophobicContact CG2-CG1 4.42Å |
| 1230 | D | 87.7 | Confident | 90.8 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 52% | 0.524 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -42.3 | -174.1 | -53.7 | -17.2 | 0 | 0 | 0 | 111.1 | K1040 N1041 H1228 | K1040-D1230 CarbonylContact C-O 3.58Å; K1040-D1230 WeakPolarHBondContact CA-O 3.07Å; N1041-D1230 PolarHBondContact N-O 3.38Å; H1228-D1230 IonicContact CD2-OD1 3.26Å; H1228-D1230 PolarHBondContact CD2-OD1 3.29Å; H1228-D1230 IonicContact NE2-OD1 3.64Å |
| 1231 | E | 87.5 | Confident | 90.8 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 122.7 | 175 | -58.2 | -159 | 152.8 | 0 | 0 | 113 | K1038 V1229 | K1038-E1231 HydrophobicContact CD-CG 4.44Å; K1038-E1231 WeakPolarHBondContact CD-OE2 3.43Å; K1038-E1231 IonicContact NZ-OE1 2.72Å; K1038-E1231 PolarHBondContact NZ-OE1 2.81Å; K1038-E1231 IonicContact NZ-OE2 3.55Å; K1038-E1231 PolarHBondContact NZ-OE2 3.03Å; V1229-E1231 WeakPolarHBondContact CG1-O 3.42Å |
| 1232 | L | 87.7 | Confident | 91 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 96.1 | 170.1 | -108.9 | 156.1 | 0 | 0 | 0 | 109.1 | K1038 L1039 V1042 V1229 V1238 | K1038-L1232 CarbonylContact C-O 3.39Å; K1038-L1232 VanDerWaalsContact CA-O 3.32Å; K1038-L1232 WeakPolarHBondContact CA-O 3.18Å; L1039-L1232 HydrophobicContact CB-CB 4.33Å; L1039-L1232 PolarHBondContact N-O 3.32Å; L1039-L1232 PolarHBondContact O-N 2.93Å; V1042-L1232 HydrophobicContact CB-CD1 3.82Å; V1042-L1232 HydrophobicContact CG1-CD1 3.81Å; V1042-L1232 HydrophobicContact CG2-CB 4.16Å; V1042-L1232 HydrophobicContact CG2-CD1 3.83Å; V1229-L1232 HydrophobicContact CG1-CG 4.15Å; L1232-V1238 HydrophobicContact CD2-CB 4.26Å; L1232-V1238 HydrophobicContact CD2-CG2 3.74Å; L1232-V1238 HydrophobicContact CG-CG2 4.34Å |
| 1233 | V | 88.1 | Confident | 90.8 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 137.7 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | N1235 R1236 | V1233-N1235 PolarHBondContact O-N 2.86Å; V1233-R1236 HydrophobicContact CB-CB 4.21Å; V1233-R1236 HydrophobicContact CB-CG 4.19Å; V1233-R1236 HydrophobicContact CG1-CG 4.04Å; V1233-R1236 PolarHBondContact O-N 3.3Å; V1233-R1236 VanDerWaalsContact O-N 3.15Å |
| 1234 | K | 87.4 | Confident | 90.7 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.5 | 179.1 | -173.7 | -176.9 | -166.6 | 140.1 | 0 | 111.9 | Y1032 G1034 P1035 S1036 N1037 R1236 | Y1032-K1234 HydrophobicContact CD1-CB 4.09Å; Y1032-K1234 WeakPolarHBondContact O-CA 3.42Å; G1034-K1234 WeakPolarHBondContact O-CE 3.37Å; G1034-K1234 PolarHBondContact O-NZ 3.48Å; P1035-K1234 PolarHBondContact O-NZ 3.09Å; S1036-K1234 WeakPolarHBondContact O-CD 3.18Å; N1037-K1234 WeakPolarHBondContact O-CB 3.44Å; N1037-K1234 PolarHBondContact O-N 3.32Å; K1234-R1236 PolarHBondContact O-N 3.09Å; K1234-R1236 VanDerWaalsContact O-N 3.1Å |
| 1235 | N | 87.6 | Confident | 90.6 | Very high | 93 Ų | 93 | 37.4 Ų | 37.4 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 23.9 | -179.5 | -54.6 | -12.7 | 0 | 0 | 0 | 114.2 | Y1032 V1233 | Y1032-N1235 PolarHBondContact O-N 2.89Å; V1233-N1235 PolarHBondContact O-N 2.86Å |
| 1236 | R | 88.7 | Confident | 90.4 | Very high | 140 Ų | 140 | 37.4 Ų | 37.4 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | trans | -113.8 | 100.7 | 170 | -64.8 | -162.8 | -174.7 | -176.7 | 5.2 | 109.5 | V1233 K1234 | V1233-R1236 HydrophobicContact CB-CB 4.21Å; V1233-R1236 HydrophobicContact CB-CG 4.19Å; V1233-R1236 HydrophobicContact CG1-CG 4.04Å; V1233-R1236 PolarHBondContact O-N 3.3Å; V1233-R1236 VanDerWaalsContact O-N 3.15Å; K1234-R1236 PolarHBondContact O-N 3.09Å; K1234-R1236 VanDerWaalsContact O-N 3.1Å | ||
| 1237 | P | 89.4 | Confident | 90.1 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 16% | 0.156 | 17% | 0.169 | C | C | . | . | trans | -69.3 | 137.8 | -176.4 | 24.2 | -31 | 0 | 0 | 0 | 112.4 | Q1029 I1030 E1031 M1095 | Q1029-P1237 HydrophobicContact CG-CB 3.78Å; I1030-P1237 WeakPolarHBondContact O-CA 3.37Å; E1031-P1237 HydrophobicContact CB-CB 4.38Å; M1095-P1237 HydrophobicContact CB-CG 4.03Å; M1095-P1237 PolarHBondContact N-O 3.05Å; M1095-P1237 VanDerWaalsContact N-O 3.14Å; M1095-P1237 HydrophobicContact SD-CG 3.9Å | ||
| 1238 | V | 91.1 | Very high | 89.7 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.1 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | I1030 V1092 F1093 V1229 L1232 | I1030-V1238 PolarHBondContact N-O 2.87Å; I1030-V1238 PolarHBondContact O-N 2.85Å; V1092-V1238 HydrophobicContact CG1-CG1 3.2Å; F1093-V1238 WeakPolarHBondContact O-CA 3.13Å; V1229-V1238 HydrophobicContact CG2-CG1 4.42Å; L1232-V1238 HydrophobicContact CD2-CB 4.26Å; L1232-V1238 HydrophobicContact CD2-CG2 3.74Å; L1232-V1238 HydrophobicContact CG-CG2 4.34Å |
| 1239 | L | 91.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.1 | -178.2 | -58.4 | -178.8 | 0 | 0 | 0 | 110.5 | P991 I1027 L1028 Q1029 V1092 F1093 M1095 | P991-L1239 HydrophobicContact CG-CD1 3.89Å; I1027-L1239 HydrophobicContact CG2-CB 4.35Å; I1027-L1239 HydrophobicContact CG2-CD2 4.43Å; L1028-L1239 CarbonylContact O-C 3.48Å; L1028-L1239 WeakPolarHBondContact O-CA 3.19Å; Q1029-L1239 HydrophobicContact CB-CD2 3.73Å; Q1029-L1239 HydrophobicContact CG-CD2 4.13Å; V1092-L1239 WeakPolarHBondContact CA-O 3.18Å; F1093-L1239 PolarHBondContact N-O 3.04Å; F1093-L1239 PolarHBondContact O-N 3.43Å; M1095-L1239 HydrophobicContact CB-CD1 4.48Å |
| 1240 | I | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.3 | 167.6 | -55.3 | -174.7 | 0 | 0 | 0 | 108.6 | I1027 L1028 I1030 M1044 V1046 K1091 V1092 C1227 V1242 I1265 | I1027-I1240 WeakPolarHBondContact CA-O 3.1Å; L1028-I1240 HydrophobicContact CB-CB 4.37Å; L1028-I1240 PolarHBondContact N-O 3.46Å; L1028-I1240 PolarHBondContact O-N 3.02Å; I1030-I1240 HydrophobicContact CD1-CD1 3.49Å; I1030-I1240 VanDerWaalsContact CD1-CD1 3.49Å; I1030-I1240 HydrophobicContact CD1-CG1 3.87Å; M1044-I1240 HydrophobicContact CB-CD1 4.2Å; M1044-I1240 HydrophobicContact CE-CD1 3.89Å; M1044-I1240 HydrophobicContact SD-CD1 3.87Å; V1046-I1240 HydrophobicContact CG2-CD1 4.48Å; K1091-I1240 WeakPolarHBondContact O-CA 3.23Å; V1092-I1240 HydrophobicContact CG1-CG1 4.34Å; V1092-I1240 HydrophobicContact CG2-CG1 4.31Å; C1227-I1240 HydrophobicContact CB-CD1 4.01Å; I1240-V1242 HydrophobicContact CG2-CG2 4.26Å; I1240-I1265 HydrophobicContact CD1-CD1 4.03Å |
| 1241 | K | 90.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 33.5 Ų | 33.5 | 28% | 0.283 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.1 | 173.9 | -175.3 | 170.4 | -178.7 | 170.2 | 0 | 110.2 | E1025 H1026 I1027 P1090 K1091 F1093 T1243 | E1025-K1241 WeakPolarHBondContact OE1-CE 3.38Å; E1025-K1241 IonicContact OE1-NZ 3.31Å; E1025-K1241 PolarHBondContact OE1-NZ 2.99Å; H1026-K1241 WeakPolarHBondContact O-CA 3.38Å; I1027-K1241 HydrophobicContact CG1-CG 4.33Å; P1090-K1241 VanDerWaalsContact CA-O 3.29Å; P1090-K1241 WeakPolarHBondContact CA-O 3.38Å; K1091-K1241 PolarHBondContact N-O 3.39Å; K1091-K1241 VanDerWaalsContact N-O 3.16Å; K1091-K1241 PolarHBondContact O-N 3.11Å; F1093-K1241 HydrophobicContact CE2-CB 3.86Å; K1241-T1243 HydrophobicContact CD-CG2 4.27Å; K1241-T1243 HydrophobicContact CG-CG2 3.91Å |
| 1242 | V | 91.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.3 | 170.6 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | H1026 V1046 V1048 M1068 P1090 I1225 I1240 | H1026-V1242 HydrophobicContact CB-CB 4.43Å; H1026-V1242 PolarHBondContact N-O 2.72Å; H1026-V1242 PolarHBondContact O-N 3.22Å; V1046-V1242 HydrophobicContact CG1-CG2 4.32Å; V1048-V1242 HydrophobicContact CG2-CG1 4.22Å; M1068-V1242 HydrophobicContact CE-CG1 4.13Å; P1090-V1242 HydrophobicContact CB-CG2 4.45Å; I1225-V1242 HydrophobicContact CD1-CG1 4.01Å; I1225-V1242 HydrophobicContact CD1-CG2 4.34Å; I1240-V1242 HydrophobicContact CG2-CG2 4.26Å |
| 1243 | T | 89.1 | Confident | 88.1 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.2 | 179.3 | 86.2 | 0 | 0 | 0 | 0 | 112.3 | V1024 E1025 S1088 K1241 | V1024-T1243 WeakPolarHBondContact O-CA 3.27Å; E1025-T1243 HydrophobicContact CG-CG2 4.09Å; S1088-T1243 PolarHBondContact O-OG1 2.97Å; K1241-T1243 HydrophobicContact CD-CG2 4.27Å; K1241-T1243 HydrophobicContact CG-CG2 3.91Å |
| 1244 | G | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -178.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1024 Y1067 | V1024-G1244 PolarHBondContact N-O 2.87Å; V1024-G1244 PolarHBondContact O-N 2.04Å; V1024-G1244 VanDerWaalsContact O-N 3.11Å; Y1067-G1244 WeakPolarHBondContact O-CA 3.41Å |
| 1245 | W | 90.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.8 | 178.1 | -68.5 | -100.5 | 0 | 0 | 0 | 109.6 | V1017 I1020 K1023 Y1067 F1069 I1072 W1247 | V1017-W1245 HydrophobicContact CB-CD2 4.42Å; V1017-W1245 HydrophobicContact CB-CG 4.42Å; V1017-W1245 HydrophobicContact CB-CZ2 4.45Å; V1017-W1245 HydrophobicContact CG1-CZ2 4.49Å; V1017-W1245 HydrophobicContact CG2-CZ2 4.39Å; I1020-W1245 HydrophobicContact CB-CB 4.34Å; I1020-W1245 HydrophobicContact CG2-CB 4.04Å; K1023-W1245 HydrophobicContact CD-CZ2 4.34Å; K1023-W1245 HydrophobicContact CG-CZ2 4.17Å; Y1067-W1245 PolarHBondContact N-O 2.98Å; Y1067-W1245 PolarHBondContact O-N 2.75Å; F1069-W1245 HydrophobicContact CB-CZ3 4.4Å; F1069-W1245 HydrophobicContact CD2-CD2 4.46Å; F1069-W1245 AromaticContact CD2-CE3 3.62Å; F1069-W1245 HydrophobicContact CD2-CE3 3.62Å; F1069-W1245 AromaticContact CD2-CZ3 3.67Å; F1069-W1245 HydrophobicContact CD2-CZ3 3.67Å; F1069-W1245 HydrophobicContact CE2-CE3 4.1Å; I1072-W1245 HydrophobicContact CD1-CH2 4.01Å; I1072-W1245 HydrophobicContact CD1-CZ2 3.98Å; I1072-W1245 HydrophobicContact CG2-CH2 3.53Å; I1072-W1245 HydrophobicContact CG2-CZ2 4.09Å; I1072-W1245 HydrophobicContact CG2-CZ3 4.13Å; W1245-W1247 PolarHBondContact O-N 2.92Å |
| 1246 | L | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126 | -178.9 | -168.7 | 71.8 | 0 | 0 | 0 | 108.8 | G1021 P1022 V1024 A1248 L1251 L1261 F1292 F1294 | G1021-L1246 VanDerWaalsContact CA-O 3.25Å; G1021-L1246 WeakPolarHBondContact CA-O 3.43Å; P1022-L1246 HydrophobicContact CG-CB 3.99Å; P1022-L1246 HydrophobicContact CG-CD2 4.05Å; P1022-L1246 PolarHBondContact O-N 3.14Å; V1024-L1246 HydrophobicContact CG2-CB 4.1Å; L1246-A1248 PolarHBondContact O-N 2.87Å; L1246-L1251 HydrophobicContact CD2-CD1 3.71Å; L1246-L1251 HydrophobicContact CG-CD1 4.03Å; L1246-L1261 HydrophobicContact CD1-CD1 4.2Å; L1246-F1292 HydrophobicContact CD2-CB 3.83Å; L1246-F1292 HydrophobicContact CD2-CD1 4.19Å; L1246-F1292 HydrophobicContact CD2-CD2 3.93Å; L1246-F1292 HydrophobicContact CD2-CG 3.7Å; L1246-F1294 HydrophobicContact CD2-CE2 3.83Å; L1246-F1294 HydrophobicContact CD2-CZ 4.07Å |
| 1247 | W | 89.4 | Confident | 86.1 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | trans | -81.9 | 85 | -171.9 | -171.6 | -92.9 | 0 | 0 | 0 | 110.9 | M1008 I1020 Y1064 V1065 Y1067 L1133 W1245 R1249 T1250 | M1008-W1247 HydrophobicContact CE-CH2 3.94Å; M1008-W1247 HydrophobicContact CE-CZ3 4.13Å; M1008-W1247 HydrophobicContact SD-CH2 3.46Å; M1008-W1247 WeakPolarHBondContact SD-CH2 3.13Å; M1008-W1247 HydrophobicContact SD-CZ2 3.92Å; M1008-W1247 HydrophobicContact SD-CZ3 4.2Å; I1020-W1247 HydrophobicContact CG2-CD2 4.3Å; I1020-W1247 HydrophobicContact CG2-CE3 3.51Å; I1020-W1247 HydrophobicContact CG2-CZ3 4.04Å; Y1064-W1247 HydrophobicContact CD2-CD2 4.12Å; Y1064-W1247 AromaticContact CD2-CE2 3.93Å; Y1064-W1247 HydrophobicContact CD2-CE3 4.38Å; Y1064-W1247 HydrophobicContact CD2-CH2 4.36Å; Y1064-W1247 HydrophobicContact CD2-CZ2 4.07Å; Y1064-W1247 WeakPolarHBondContact O-CB 3.42Å; V1065-W1247 PolarHBondContact O-N 3.31Å; Y1067-W1247 AromaticContact CD2-CE3 3.63Å; Y1067-W1247 HydrophobicContact CD2-CE3 3.63Å; Y1067-W1247 HydrophobicContact CD2-CH2 4.47Å; Y1067-W1247 AromaticContact CD2-CZ3 3.56Å; Y1067-W1247 HydrophobicContact CD2-CZ3 3.56Å; Y1067-W1247 HydrophobicContact CE2-CE3 4.42Å; Y1067-W1247 AromaticContact CE2-CZ3 3.9Å; Y1067-W1247 HydrophobicContact CE2-CZ3 3.9Å; Y1067-W1247 AromaticContact CG-CE3 3.87Å; Y1067-W1247 HydrophobicContact CG-CE3 3.87Å; Y1067-W1247 AromaticContact CG-CZ3 3.94Å; Y1067-W1247 HydrophobicContact CG-CZ3 3.94Å; L1133-W1247 HydrophobicContact CD1-CZ3 4.44Å; W1245-W1247 PolarHBondContact O-N 2.92Å; W1247-R1249 PolarHBondContact O-N 3.36Å; W1247-T1250 VanDerWaalsContact CD1-OG1 3.3Å; W1247-T1250 PolarHBondContact O-N 3.13Å | ||
| 1248 | A | 86.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.3 | -34.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1020 L1246 T1250 L1251 F1252 F1294 | I1020-A1248 VanDerWaalsContact O-CB 3.27Å; I1020-A1248 WeakPolarHBondContact O-CB 3.39Å; I1020-A1248 PolarHBondContact O-N 2.83Å; L1246-A1248 PolarHBondContact O-N 2.87Å; A1248-T1250 PolarHBondContact O-N 2.91Å; A1248-L1251 WeakPolarHBondContact O-CB 3.27Å; A1248-L1251 PolarHBondContact O-N 3.42Å; A1248-F1252 HydrophobicContact CB-CD2 4.31Å; A1248-F1252 HydrophobicContact CB-CE2 4.33Å; A1248-F1252 VanDerWaalsContact O-CD2 3.28Å; A1248-F1252 WeakPolarHBondContact O-CD2 3.06Å; A1248-F1252 PolarHBondContact O-N 3.1Å; A1248-F1294 HydrophobicContact CB-CE1 3.93Å; A1248-F1294 HydrophobicContact CB-CZ 4.3Å |
| 1249 | R | 84.5 | Confident | 85.5 | Confident | 112 Ų | 112 | 22.8 Ų | 22.8 | 42% | 0.423 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -56.1 | -33.6 | -179.4 | -173.8 | 176.1 | -180 | 174.9 | 0.5 | 113.6 | P1004 W1247 A1253 | P1004-R1249 HydrophobicContact CB-CB 4.03Å; P1004-R1249 HydrophobicContact CB-CG 4.18Å; P1004-R1249 HydrophobicContact CG-CG 4.37Å; W1247-R1249 PolarHBondContact O-N 3.36Å; R1249-A1253 WeakPolarHBondContact O-CB 3.45Å; R1249-A1253 PolarHBondContact O-N 2.81Å |
| 1250 | T | 84.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | L1052 Q1063 Y1064 W1247 A1248 A1253 K1254 | L1052-T1250 HydrophobicContact CD1-CG2 3.64Å; L1052-T1250 HydrophobicContact CG-CG2 4.26Å; Q1063-T1250 HydrophobicContact CB-CG2 4.12Å; Y1064-T1250 VanDerWaalsContact O-CB 3.22Å; Y1064-T1250 WeakPolarHBondContact O-CB 3.22Å; Y1064-T1250 PolarHBondContact O-OG1 3.23Å; W1247-T1250 VanDerWaalsContact CD1-OG1 3.3Å; W1247-T1250 PolarHBondContact O-N 3.13Å; A1248-T1250 PolarHBondContact O-N 2.91Å; T1250-A1253 PolarHBondContact O-N 2.77Å; T1250-K1254 PolarHBondContact O-N 2.69Å |
| 1251 | L | 84.8 | Confident | 85.2 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.9 | -53 | 179.2 | 0 | 0 | 0 | 111.9 | F1207 L1246 A1248 K1254 H1255 I1256 V1259 F1294 I1297 | F1207-L1251 HydrophobicContact CE2-CD2 3.75Å; F1207-L1251 HydrophobicContact CZ-CD2 3.98Å; L1246-L1251 HydrophobicContact CD2-CD1 3.71Å; L1246-L1251 HydrophobicContact CG-CD1 4.03Å; A1248-L1251 WeakPolarHBondContact O-CB 3.27Å; A1248-L1251 PolarHBondContact O-N 3.42Å; L1251-K1254 PolarHBondContact O-N 3.43Å; L1251-H1255 WeakPolarHBondContact O-CA 3.31Å; L1251-H1255 PolarHBondContact O-N 3.48Å; L1251-I1256 HydrophobicContact CD2-CB 4.36Å; L1251-I1256 HydrophobicContact CD2-CD1 4.19Å; L1251-I1256 PolarHBondContact O-N 3.35Å; L1251-V1259 HydrophobicContact CD1-CG2 4.04Å; L1251-V1259 HydrophobicContact CD2-CG2 3.81Å; L1251-F1294 HydrophobicContact CD1-CD2 3.98Å; L1251-F1294 HydrophobicContact CD1-CE2 3.35Å; L1251-F1294 HydrophobicContact CD1-CZ 3.67Å; L1251-I1297 HydrophobicContact CB-CD1 4.13Å |
| 1252 | F | 82.9 | Confident | 85.3 | Confident | 27 Ų | 27 | 20.4 Ų | 20.4 | 12% | 0.118 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 172 | -82.1 | -84.1 | 0 | 0 | 0 | 112.2 | R1001 S1002 P1004 A1248 H1255 F1294 I1297 | R1001-F1252 HydrophobicContact CG-CE2 3.51Å; R1001-F1252 HydrophobicContact CG-CZ 3.5Å; R1001-F1252 VanDerWaalsContact O-CZ 3.32Å; R1001-F1252 WeakPolarHBondContact O-CZ 3.32Å; S1002-F1252 WeakPolarHBondContact O-CE1 3.37Å; P1004-F1252 HydrophobicContact CB-CD2 4.37Å; P1004-F1252 HydrophobicContact CG-CB 4.14Å; P1004-F1252 HydrophobicContact CG-CG 4.31Å; A1248-F1252 HydrophobicContact CB-CD2 4.31Å; A1248-F1252 HydrophobicContact CB-CE2 4.33Å; A1248-F1252 VanDerWaalsContact O-CD2 3.28Å; A1248-F1252 WeakPolarHBondContact O-CD2 3.06Å; A1248-F1252 PolarHBondContact O-N 3.1Å; F1252-H1255 PolarHBondContact O-N 3.27Å; F1252-F1294 HydrophobicContact CE2-CD1 4Å; F1252-F1294 HydrophobicContact CE2-CE1 4.32Å; F1252-F1294 HydrophobicContact CZ-CD1 4.37Å; F1252-I1297 HydrophobicContact CD1-CD1 3.97Å; F1252-I1297 HydrophobicContact CD1-CG1 3.62Å; F1252-I1297 HydrophobicContact CD2-CD1 3.84Å; F1252-I1297 HydrophobicContact CD2-CG1 4.33Å; F1252-I1297 HydrophobicContact CE1-CD1 3.91Å; F1252-I1297 HydrophobicContact CE1-CG1 3.3Å; F1252-I1297 HydrophobicContact CE2-CD1 3.73Å; F1252-I1297 HydrophobicContact CE2-CG1 4.03Å; F1252-I1297 HydrophobicContact CG-CD1 3.9Å; F1252-I1297 HydrophobicContact CG-CG1 4.1Å; F1252-I1297 HydrophobicContact CZ-CD1 3.74Å; F1252-I1297 HydrophobicContact CZ-CG1 3.48Å; F1252-I1297 VanDerWaalsContact CZ-CG1 3.48Å |
| 1253 | A | 78.2 | Confident | 85.3 | Confident | 45 Ų | 45 | 20.2 Ų | 20.2 | 37% | 0.372 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -67.3 | -35.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1058 R1249 T1250 | I1058-A1253 HydrophobicContact CD1-CB 4.22Å; R1249-A1253 WeakPolarHBondContact O-CB 3.45Å; R1249-A1253 PolarHBondContact O-N 2.81Å; T1250-A1253 PolarHBondContact O-N 2.77Å |
| 1254 | K | 77.8 | Confident | 85.6 | Confident | 47 Ų | 47 | 20.6 Ų | 20.6 | 20% | 0.204 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.8 | 176.4 | -71.9 | -87 | -173.7 | 166.1 | 0 | 113.9 | D1056 I1058 T1250 L1251 I1256 | D1056-K1254 WeakPolarHBondContact O-CE 3.19Å; D1056-K1254 PolarHBondContact O-NZ 2.72Å; D1056-K1254 IonicContact OD1-NZ 2.73Å; D1056-K1254 PolarHBondContact OD1-NZ 2.76Å; I1058-K1254 HydrophobicContact CD1-CD 4.26Å; I1058-K1254 HydrophobicContact CD1-CG 4.34Å; T1250-K1254 PolarHBondContact O-N 2.69Å; L1251-K1254 PolarHBondContact O-N 3.43Å; K1254-I1256 VanDerWaalsContact C-N 3.32Å; K1254-I1256 HydrophobicContact CB-CD1 3.62Å; K1254-I1256 HydrophobicContact CB-CG1 3.81Å; K1254-I1256 HydrophobicContact CG-CD1 4.45Å; K1254-I1256 PolarHBondContact O-N 2.87Å |
| 1255 | H | 76.7 | Confident | 85.7 | Confident | 63 Ų | 63 | 20.6 Ų | 20.6 | 29% | 0.292 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.4 | -176.3 | -61.2 | -83.9 | 0 | 0 | 0 | 114.7 | R1215 L1251 F1252 I1297 K1300 | R1215-H1255 PolarHBondContact NH1-O 3.2Å; L1251-H1255 WeakPolarHBondContact O-CA 3.31Å; L1251-H1255 PolarHBondContact O-N 3.48Å; F1252-H1255 PolarHBondContact O-N 3.27Å; H1255-I1297 HydrophobicContact CB-CG2 4.42Å; H1255-K1300 WeakPolarHBondContact NE2-CE 2.94Å; H1255-K1300 PolarHBondContact NE2-NZ 3.44Å |
| 1256 | I | 78.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | trans | -92.7 | 118.6 | -179.8 | -55.6 | 163.9 | 0 | 0 | 0 | 109.6 | E1205 F1207 L1251 K1254 V1259 I1297 | E1205-I1256 HydrophobicContact CB-CG2 3.56Å; E1205-I1256 HydrophobicContact CG-CD1 4.21Å; E1205-I1256 HydrophobicContact CG-CG2 4.27Å; F1207-I1256 HydrophobicContact CZ-CD1 4.08Å; L1251-I1256 HydrophobicContact CD2-CB 4.36Å; L1251-I1256 HydrophobicContact CD2-CD1 4.19Å; L1251-I1256 PolarHBondContact O-N 3.35Å; K1254-I1256 VanDerWaalsContact C-N 3.32Å; K1254-I1256 HydrophobicContact CB-CD1 3.62Å; K1254-I1256 HydrophobicContact CB-CG1 3.81Å; K1254-I1256 HydrophobicContact CG-CD1 4.45Å; K1254-I1256 PolarHBondContact O-N 2.87Å; I1256-V1259 HydrophobicContact CG2-CG2 3.55Å; I1256-I1297 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1257 | S | 78.2 | Confident | 86 | Confident | 14 Ų | 14 | 22.2 Ų | 22.2 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | trans | -92.8 | -36.6 | -178 | 60.3 | 0 | 0 | 0 | 0 | 114 | F1294 I1297 | S1257-F1294 PolarHBondContact O-N 3.21Å; S1257-I1297 WeakPolarHBondContact CB-O 3.34Å | ||
| 1258 | D | 82.5 | Confident | 86.2 | Confident | 43 Ų | 43 | 23.1 Ų | 23.1 | 23% | 0.23 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.5 | -171.4 | -61.9 | 46.3 | 0 | 0 | 0 | 107.8 | K1204 E1205 F1293 | K1204-D1258 HydrophobicContact CB-CB 4.21Å; K1204-D1258 HydrophobicContact CG-CB 3.97Å; E1205-D1258 PolarHBondContact N-O 3.02Å; D1258-F1293 WeakPolarHBondContact OD1-CE2 3.26Å |
| 1259 | V | 85.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.6 | -172.5 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | E1205 F1207 L1251 I1256 T1291 F1292 | E1205-V1259 CarbonylContact O-C 3.58Å; E1205-V1259 WeakPolarHBondContact O-CA 3.2Å; F1207-V1259 HydrophobicContact CD2-CG1 3.42Å; F1207-V1259 VanDerWaalsContact CD2-CG1 3.42Å; F1207-V1259 HydrophobicContact CE2-CG1 3.57Å; F1207-V1259 HydrophobicContact CE2-CG2 4.12Å; L1251-V1259 HydrophobicContact CD1-CG2 4.04Å; L1251-V1259 HydrophobicContact CD2-CG2 3.81Å; I1256-V1259 HydrophobicContact CG2-CG2 3.55Å; V1259-T1291 CarbonylContact O-C 3.26Å; V1259-T1291 WeakPolarHBondContact O-CA 3.19Å; V1259-F1292 HydrophobicContact CB-CB 4.49Å; V1259-F1292 PolarHBondContact N-O 3.15Å; V1259-F1292 PolarHBondContact O-N 3.29Å |
| 1260 | D | 87.7 | Confident | 86.4 | Confident | 24 Ų | 24 | 18.8 Ų | 18.8 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.5 | 162.7 | -76.3 | -9 | 0 | 0 | 0 | 108.3 | K1204 E1205 V1206 F1207 T1291 | K1204-D1260 VanDerWaalsContact CD-CG 3.45Å; K1204-D1260 WeakPolarHBondContact CD-OD1 3.35Å; K1204-D1260 WeakPolarHBondContact CD-OD2 3.35Å; K1204-D1260 IonicContact NZ-OD1 2.81Å; K1204-D1260 PolarHBondContact NZ-OD1 3.2Å; K1204-D1260 IonicContact NZ-OD2 3.45Å; K1204-D1260 PolarHBondContact NZ-OD2 3.3Å; E1205-D1260 PolarHBondContact O-N 3.32Å; V1206-D1260 WeakPolarHBondContact CA-O 3.37Å; V1206-D1260 HydrophobicContact CG2-CB 4.4Å; F1207-D1260 PolarHBondContact N-O 3.19Å; D1260-T1291 VanDerWaalsContact OD1-CA 3.28Å; D1260-T1291 WeakPolarHBondContact OD1-CA 3.44Å; D1260-T1291 WeakPolarHBondContact OD1-CB 3.41Å; D1260-T1291 WeakPolarHBondContact OD1-CG2 3.36Å; D1260-T1291 PolarHBondContact OD1-OG1 3.12Å |
| 1261 | L | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.5 | 174.9 | -172 | 82.6 | 0 | 0 | 0 | 108.4 | V1024 H1026 P1049 V1065 L1066 F1207 L1246 S1289 Q1290 F1292 | V1024-L1261 HydrophobicContact CB-CD2 4.39Å; V1024-L1261 HydrophobicContact CG1-CD2 3.57Å; V1024-L1261 HydrophobicContact CG2-CD2 4.02Å; H1026-L1261 PolarHBondContact CE1-O 3.21Å; P1049-L1261 HydrophobicContact CG-CD1 3.75Å; P1049-L1261 HydrophobicContact CG-CG 4.45Å; V1065-L1261 HydrophobicContact CG1-CD1 4.06Å; L1066-L1261 HydrophobicContact CD1-CD2 4.13Å; F1207-L1261 HydrophobicContact CB-CD1 4.06Å; L1246-L1261 HydrophobicContact CD1-CD1 4.2Å; L1261-S1289 WeakPolarHBondContact O-CA 3.2Å; L1261-Q1290 PolarHBondContact N-O 3.22Å; L1261-Q1290 PolarHBondContact O-N 3.23Å; L1261-F1292 HydrophobicContact CB-CD2 4.39Å; L1261-F1292 HydrophobicContact CB-CE2 4.05Å |
| 1262 | V | 90.9 | Very high | 86.2 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.6 | -177 | -172 | 0 | 0 | 0 | 0 | 110.2 | P1049 V1206 F1207 E1208 Y1287 L1288 | P1049-V1262 WeakPolarHBondContact CD-O 3.46Å; V1206-V1262 HydrophobicContact CG1-CG2 3.67Å; F1207-V1262 PolarHBondContact O-N 2.95Å; E1208-V1262 HydrophobicContact CB-CB 3.8Å; E1208-V1262 HydrophobicContact CB-CG1 4.38Å; E1208-V1262 HydrophobicContact CB-CG2 4.03Å; E1208-V1262 HydrophobicContact CG-CB 3.94Å; E1208-V1262 HydrophobicContact CG-CG1 3.96Å; E1208-V1262 HydrophobicContact CG-CG2 4.4Å; V1262-Y1287 HydrophobicContact CG1-CD1 4.23Å; V1262-L1288 CarbonylContact C-O 3.59Å; V1262-L1288 VanDerWaalsContact CA-O 3.31Å; V1262-L1288 WeakPolarHBondContact CA-O 3.36Å |
| 1263 | T | 92.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.5 | 165.9 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | H1026 L1047 V1048 L1288 | H1026-T1263 WeakPolarHBondContact ND1-CG2 3.13Å; H1026-T1263 PolarHBondContact ND1-OG1 3.22Å; L1047-T1263 WeakPolarHBondContact O-CA 3.38Å; V1048-T1263 HydrophobicContact CB-CG2 4.25Å; V1048-T1263 HydrophobicContact CG1-CG2 3.92Å; V1048-T1263 HydrophobicContact CG2-CG2 3.82Å; T1263-L1288 PolarHBondContact N-O 3.09Å; T1263-L1288 PolarHBondContact O-N 3.17Å; T1263-L1288 WeakPolarHBondContact OG1-CB 3.41Å; T1263-L1288 PolarHBondContact OG1-O 3.29Å |
| 1264 | I | 94.3 | Very high | 86.2 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.9 | -179.5 | -45.4 | -179.6 | 0 | 0 | 0 | 107.7 | V1046 L1047 E1208 C1209 F1286 Y1287 | V1046-I1264 CarbonylContact C-O 3.52Å; V1046-I1264 VanDerWaalsContact CA-O 3.29Å; V1046-I1264 WeakPolarHBondContact CA-O 3.1Å; L1047-I1264 HydrophobicContact CB-CB 4.4Å; L1047-I1264 PolarHBondContact N-O 3.02Å; L1047-I1264 PolarHBondContact O-N 3.29Å; E1208-I1264 HydrophobicContact CG-CD1 4.06Å; E1208-I1264 HydrophobicContact CG-CG1 4.45Å; C1209-I1264 HydrophobicContact CB-CD1 3.86Å; I1264-F1286 WeakPolarHBondContact CA-O 3.29Å; I1264-Y1287 HydrophobicContact CB-CD1 4.47Å; I1264-Y1287 HydrophobicContact CD1-CD1 4.15Å; I1264-Y1287 HydrophobicContact CD1-CE1 3.85Å; I1264-Y1287 HydrophobicContact CG1-CD1 3.85Å; I1264-Y1287 HydrophobicContact CG1-CE1 4.02Å; I1264-Y1287 HydrophobicContact CG2-CD1 4.09Å; I1264-Y1287 HydrophobicContact CG2-CE1 3.89Å |
| 1265 | I | 94.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.2 | 168.9 | -179.2 | 168.7 | 0 | 0 | 0 | 110 | I987 L1028 I1030 M1044 N1045 V1046 I1240 V1267 H1285 F1286 | I987-I1265 HydrophobicContact CD1-CG2 4.39Å; I987-I1265 HydrophobicContact CG2-CG2 3.87Å; L1028-I1265 HydrophobicContact CD1-CB 4.02Å; L1028-I1265 HydrophobicContact CD1-CD1 4.03Å; L1028-I1265 HydrophobicContact CD1-CG2 4.05Å; L1028-I1265 HydrophobicContact CD2-CG2 4Å; I1030-I1265 HydrophobicContact CD1-CD1 3.38Å; I1030-I1265 HydrophobicContact CG1-CD1 4.3Å; M1044-I1265 HydrophobicContact CB-CD1 4.25Å; N1045-I1265 CarbonylContact O-C 3.36Å; N1045-I1265 WeakPolarHBondContact O-CA 3.39Å; V1046-I1265 HydrophobicContact CG2-CB 4.11Å; V1046-I1265 HydrophobicContact CG2-CD1 3.83Å; V1046-I1265 HydrophobicContact CG2-CG1 3.86Å; I1240-I1265 HydrophobicContact CD1-CD1 4.03Å; I1265-V1267 HydrophobicContact CD1-CG2 4.47Å; I1265-V1267 HydrophobicContact CG1-CG2 4.32Å; I1265-H1285 CarbonylContact O-C 3.58Å; I1265-H1285 WeakPolarHBondContact O-CA 3.34Å; I1265-F1286 HydrophobicContact CG2-CB 3.73Å; I1265-F1286 PolarHBondContact N-O 3.18Å; I1265-F1286 PolarHBondContact O-N 3.02Å |
| 1266 | S | 93.8 | Very high | 86.7 | Confident | 37 Ų | 37 | 25.6 Ų | 25.6 | 26% | 0.259 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.9 | 169.1 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | M1044 N1045 G1284 | M1044-S1266 CarbonylContact C-O 3.57Å; M1044-S1266 WeakPolarHBondContact CA-O 3.41Å; N1045-S1266 PolarHBondContact N-O 2.99Å; N1045-S1266 PolarHBondContact O-N 3.31Å; N1045-S1266 PolarHBondContact O-OG 3.44Å; S1266-G1284 CarbonylContact C-O 3.57Å; S1266-G1284 WeakPolarHBondContact CA-O 3.13Å |
| 1267 | V | 93.7 | Very high | 87 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131 | -175.2 | -169.3 | 0 | 0 | 0 | 0 | 110 | I985 I987 V1042 M1044 I1265 P1282 I1283 G1284 | I985-V1267 HydrophobicContact CD1-CB 4.2Å; I985-V1267 HydrophobicContact CD1-CG1 3.54Å; I987-V1267 HydrophobicContact CD1-CG2 3.64Å; I987-V1267 HydrophobicContact CG1-CG2 4.47Å; V1042-V1267 HydrophobicContact CG1-CG1 3.5Å; M1044-V1267 HydrophobicContact CG-CB 4.44Å; M1044-V1267 HydrophobicContact CG-CG1 3.87Å; M1044-V1267 HydrophobicContact CG-CG2 4.01Å; I1265-V1267 HydrophobicContact CD1-CG2 4.47Å; I1265-V1267 HydrophobicContact CG1-CG2 4.32Å; V1267-P1282 WeakPolarHBondContact O-CB 3.46Å; V1267-I1283 PolarHBondContact O-N 2.94Å; V1267-I1283 VanDerWaalsContact O-N 3.16Å; V1267-G1284 PolarHBondContact N-O 2.93Å |
| 1268 | N | 92.1 | Very high | 87.4 | Confident | 31 Ų | 31 | 33.6 Ų | 33.6 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | trans | -77.1 | -175.1 | 176.4 | 83.2 | -36.5 | 0 | 0 | 0 | 111.8 | T1043 G1270 | T1043-N1268 PolarHBondContact N-OD1 3.05Å; T1043-N1268 PolarHBondContact O-N 2.61Å; T1043-N1268 PolarHBondContact O-OD1 3.27Å; T1043-N1268 VanDerWaalsContact O-OD1 3.09Å; T1043-N1268 PolarHBondContact OG1-ND2 3.01Å; T1043-N1268 PolarHBondContact OG1-OD1 3.5Å; N1268-G1270 VanDerWaalsContact CG-N 3.33Å; N1268-G1270 PolarHBondContact ND2-N 3.31Å; N1268-G1270 PolarHBondContact OD1-N 2.88Å | ||
| 1269 | Q | 88.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | trans | -86.9 | -7.1 | 177.4 | 82.5 | -164.7 | -76.6 | 0 | 0 | 115.9 | H981 P983 L1039 I1272 A1279 E1281 I1283 | H981-Q1269 PolarHBondContact CE1-O 3.26Å; H981-Q1269 PolarHBondContact ND1-OE1 3.06Å; P983-Q1269 HydrophobicContact CG-CB 4.41Å; L1039-Q1269 WeakPolarHBondContact CD1-O 3.44Å; Q1269-I1272 HydrophobicContact CG-CD1 3.8Å; Q1269-I1272 HydrophobicContact CG-CG1 3.74Å; Q1269-I1272 VanDerWaalsContact OE1-CD1 3.26Å; Q1269-A1279 PolarHBondContact NE2-O 3.01Å; Q1269-E1281 VanDerWaalsContact CG-OE1 3.24Å; Q1269-E1281 WeakPolarHBondContact CG-OE1 3.45Å; Q1269-E1281 PolarHBondContact N-OE1 3.2Å; Q1269-E1281 PolarHBondContact NE2-OE1 2.77Å; Q1269-I1283 HydrophobicContact CB-CD1 3.15Å | ||
| 1270 | G | 87.2 | Confident | 87.4 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | trans | 70.1 | -162.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1040 N1041 N1268 | K1040-G1270 CarbonylContact O-C 3.49Å; K1040-G1270 WeakPolarHBondContact O-CA 3.24Å; N1041-G1270 WeakPolarHBondContact O-CA 3.33Å; N1268-G1270 VanDerWaalsContact CG-N 3.33Å; N1268-G1270 PolarHBondContact ND2-N 3.31Å; N1268-G1270 PolarHBondContact OD1-N 2.88Å | ||
| 1271 | S | 84.9 | Confident | 87 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | trans | -69.6 | 135.1 | 176.6 | -71 | 0 | 0 | 0 | 0 | 111.9 | K1040 N1041 | K1040-S1271 PolarHBondContact O-N 3.16Å; N1041-S1271 WeakPolarHBondContact CB-OG 3.33Å; N1041-S1271 PolarHBondContact ND2-OG 3.45Å | ||
| 1272 | I | 81.6 | Confident | 86.7 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | trans | -108 | 130.3 | 177.9 | -46.4 | 170.4 | 0 | 0 | 0 | 108.5 | Q1269 V1276 P1278 | Q1269-I1272 HydrophobicContact CG-CD1 3.8Å; Q1269-I1272 HydrophobicContact CG-CG1 3.74Å; Q1269-I1272 VanDerWaalsContact OE1-CD1 3.26Å; I1272-V1276 HydrophobicContact CG2-CB 3.92Å; I1272-V1276 HydrophobicContact CG2-CG1 4.18Å; I1272-P1278 HydrophobicContact CD1-CB 3.7Å | ||
| 1273 | P | 79.7 | Confident | 86.4 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | trans | -62.2 | 152.6 | 173.3 | -20.7 | 32 | 0 | 0 | 0 | 112.5 | Y834 F949 G1275 V1276 | Y834-P1273 HydrophobicContact CD2-CG 4.48Å; Y834-P1273 HydrophobicContact CE1-CG 4.15Å; Y834-P1273 HydrophobicContact CE2-CG 3.78Å; F949-P1273 HydrophobicContact CD2-CB 3.99Å; F949-P1273 HydrophobicContact CE2-CB 3.85Å; F949-P1273 HydrophobicContact CE2-CG 4.46Å; P1273-G1275 PolarHBondContact O-N 2.93Å; P1273-V1276 HydrophobicContact CB-CG2 3.96Å; P1273-V1276 HydrophobicContact CG-CG2 4.27Å; P1273-V1276 PolarHBondContact O-N 3.33Å | ||
| 1274 | K | 80.4 | Confident | 86 | Confident | 146 Ų | 146 | 49.3 Ų | 49.3 | 64% | 0.635 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 127.2 | -179.5 | -67.5 | 176.2 | -177.4 | 170.6 | 0 | 110.8 | F949 | F949-K1274 VanDerWaalsContact CB-O 3.3Å; F949-K1274 WeakPolarHBondContact CB-O 3.14Å; F949-K1274 PolarHBondContact N-O 3.09Å |
| 1275 | G | 78.4 | Confident | 85.8 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -9.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1273 | P1273-G1275 PolarHBondContact O-N 2.93Š|
| 1276 | V | 85.6 | Confident | 85.8 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 133.8 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | Y834 F949 V979 H981 I1272 P1273 | Y834-V1276 HydrophobicContact CD2-CG2 4.26Å; F949-V1276 HydrophobicContact CB-CG2 4.12Å; F949-V1276 HydrophobicContact CD1-CG2 4.22Å; F949-V1276 HydrophobicContact CD2-CG2 3.51Å; F949-V1276 HydrophobicContact CE2-CG2 3.93Å; F949-V1276 HydrophobicContact CG-CG2 3.68Å; F949-V1276 HydrophobicContact CZ-CG2 4.46Å; V979-V1276 HydrophobicContact CB-CG2 4.36Å; V979-V1276 HydrophobicContact CG1-CG1 4.23Å; V979-V1276 HydrophobicContact CG1-CG2 4Å; V979-V1276 WeakPolarHBondContact O-CA 3.37Å; H981-V1276 HydrophobicContact CB-CG1 3.88Å; I1272-V1276 HydrophobicContact CG2-CB 3.92Å; I1272-V1276 HydrophobicContact CG2-CG1 4.18Å; P1273-V1276 HydrophobicContact CB-CG2 3.96Å; P1273-V1276 HydrophobicContact CG-CG2 4.27Å; P1273-V1276 PolarHBondContact O-N 3.33Å |
| 1277 | Q | 85 | Confident | 85.6 | Confident | 103 Ų | 103 | 59.2 Ų | 59.2 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 135.8 | 175.5 | -86.2 | -154 | -3.2 | 0 | 0 | 111.6 | V979 I980 H981 | V979-Q1277 PolarHBondContact O-N 3.44Å; I980-Q1277 HydrophobicContact CG2-CB 4.19Å; H981-Q1277 VanDerWaalsContact CB-O 3.23Å; H981-Q1277 WeakPolarHBondContact CB-O 3.24Å; H981-Q1277 PolarHBondContact N-O 3.47Å |
| 1278 | P | 86.2 | Confident | 85.5 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68 | 148.9 | 179.9 | 29 | -35.7 | 0 | 0 | 0 | 112.6 | I1272 | I1272-P1278 HydrophobicContact CD1-CB 3.7Š|
| 1279 | A | 83.8 | Confident | 85.2 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 156.8 | 166 | 0 | 0 | 0 | 0 | 0 | 111 | H981 Q1269 E1281 I1283 | H981-A1279 WeakPolarHBondContact O-CB 3.34Å; Q1269-A1279 PolarHBondContact NE2-O 3.01Å; A1279-E1281 PolarHBondContact O-N 3.45Å; A1279-I1283 HydrophobicContact CB-CD1 4.2Å; A1279-I1283 HydrophobicContact CB-CG1 4.25Å |
| 1280 | N | 84.1 | Confident | 85.2 | Confident | 155 Ų | 155 | 59.4 Ų | 59.4 | 83% | 0.829 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 127.7 | 167.7 | -69.3 | -19.7 | 0 | 0 | 0 | 109.9 | ||
| 1281 | E | 79.6 | Confident | 85.2 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -98.5 | 149.1 | 178.4 | -62.9 | -163.9 | 155.9 | 0 | 0 | 112.7 | Q1269 A1279 | Q1269-E1281 VanDerWaalsContact CG-OE1 3.24Å; Q1269-E1281 WeakPolarHBondContact CG-OE1 3.45Å; Q1269-E1281 PolarHBondContact N-OE1 3.2Å; Q1269-E1281 PolarHBondContact NE2-OE1 2.77Å; A1279-E1281 PolarHBondContact O-N 3.45Å |
| 1282 | P | 84 | Confident | 85.3 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 47% | 0.468 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | cis | -80.2 | 148.1 | -6.2 | 33.4 | -34.6 | 0 | 0 | 0 | 112.3 | V1267 | V1267-P1282 WeakPolarHBondContact O-CB 3.46Š|
| 1283 | I | 83.8 | Confident | 85.4 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -75.2 | -40 | -179.8 | -77.3 | 135.5 | 0 | 0 | 0 | 112.4 | P983 I985 V1267 Q1269 A1279 | P983-I1283 HydrophobicContact CB-CD1 4.49Å; P983-I1283 HydrophobicContact CG-CD1 3.3Å; P983-I1283 HydrophobicContact CG-CG1 3.88Å; P983-I1283 HydrophobicContact CG-CG2 4.29Å; P983-I1283 WeakPolarHBondContact O-CG2 3.36Å; I985-I1283 HydrophobicContact CB-CG2 4.42Å; I985-I1283 HydrophobicContact CD1-CG2 4.24Å; I985-I1283 HydrophobicContact CG1-CG2 4.17Å; V1267-I1283 PolarHBondContact O-N 2.94Å; V1267-I1283 VanDerWaalsContact O-N 3.16Å; Q1269-I1283 HydrophobicContact CB-CD1 3.15Å; A1279-I1283 HydrophobicContact CB-CD1 4.2Å; A1279-I1283 HydrophobicContact CB-CG1 4.25Å |
| 1284 | G | 85.5 | Confident | 85.5 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1266 V1267 | S1266-G1284 CarbonylContact C-O 3.57Å; S1266-G1284 WeakPolarHBondContact CA-O 3.13Å; V1267-G1284 PolarHBondContact N-O 2.93Å |
| 1285 | H | 90.8 | Very high | 85.1 | Confident | 114 Ų | 114 | 52.7 Ų | 52.7 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.9 | 169.5 | 68.6 | -87.5 | 0 | 0 | 0 | 110.1 | I1265 Y1287 | I1265-H1285 CarbonylContact O-C 3.58Å; I1265-H1285 WeakPolarHBondContact O-CA 3.34Å; H1285-Y1287 AromaticContact CD2-CE2 3.58Å |
| 1286 | F | 92.7 | Very high | 84.9 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 148.8 | -177.1 | -171.3 | -100.6 | 0 | 0 | 0 | 112.2 | I987 Y989 L1028 I1264 I1265 L1288 | I987-F1286 HydrophobicContact CB-CB 3.81Å; I987-F1286 HydrophobicContact CB-CG 4.21Å; I987-F1286 HydrophobicContact CD1-CB 4.3Å; I987-F1286 HydrophobicContact CG2-CB 3.46Å; I987-F1286 VanDerWaalsContact CG2-CB 3.46Å; I987-F1286 HydrophobicContact CG2-CD1 4.07Å; I987-F1286 HydrophobicContact CG2-CG 3.79Å; I987-F1286 WeakPolarHBondContact O-CD2 3.48Å; Y989-F1286 HydrophobicContact CD1-CE1 4.43Å; Y989-F1286 HydrophobicContact CD2-CZ 4.1Å; Y989-F1286 HydrophobicContact CE1-CE1 4.21Å; Y989-F1286 HydrophobicContact CE1-CZ 4.21Å; Y989-F1286 HydrophobicContact CE2-CE1 4.48Å; Y989-F1286 AromaticContact CE2-CZ 3.72Å; Y989-F1286 HydrophobicContact CE2-CZ 3.72Å; Y989-F1286 HydrophobicContact CG-CZ 4.49Å; Y989-F1286 AromaticContact CZ-CZ 3.77Å; L1028-F1286 HydrophobicContact CD2-CD1 3.88Å; L1028-F1286 HydrophobicContact CD2-CE1 4.33Å; I1264-F1286 WeakPolarHBondContact CA-O 3.29Å; I1265-F1286 HydrophobicContact CG2-CB 3.73Å; I1265-F1286 PolarHBondContact N-O 3.18Å; I1265-F1286 PolarHBondContact O-N 3.02Å; F1286-L1288 HydrophobicContact CD1-CB 4.33Å; F1286-L1288 HydrophobicContact CE1-CB 4.17Å |
| 1287 | Y | 91.2 | Very high | 84.2 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 105.2 | -177.6 | -59.7 | -95.2 | 0 | 0 | 0 | 109.5 | E1208 V1262 I1264 H1285 | E1208-Y1287 WeakPolarHBondContact OE1-CE1 3.18Å; V1262-Y1287 HydrophobicContact CG1-CD1 4.23Å; I1264-Y1287 HydrophobicContact CB-CD1 4.47Å; I1264-Y1287 HydrophobicContact CD1-CD1 4.15Å; I1264-Y1287 HydrophobicContact CD1-CE1 3.85Å; I1264-Y1287 HydrophobicContact CG1-CD1 3.85Å; I1264-Y1287 HydrophobicContact CG1-CE1 4.02Å; I1264-Y1287 HydrophobicContact CG2-CD1 4.09Å; I1264-Y1287 HydrophobicContact CG2-CE1 3.89Å; H1285-Y1287 AromaticContact CD2-CE2 3.58Å |
| 1288 | L | 90 | Very high | 83.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110 | 179.2 | 163.9 | 56.1 | 0 | 0 | 0 | 109.9 | Y989 I994 H1026 L1028 V1262 T1263 F1286 | Y989-L1288 HydrophobicContact CD1-CD1 3.46Å; Y989-L1288 VanDerWaalsContact CD1-CD1 3.46Å; Y989-L1288 HydrophobicContact CE1-CD1 3.45Å; Y989-L1288 VanDerWaalsContact CE1-CD1 3.45Å; I994-L1288 HydrophobicContact CD1-CD1 3.82Å; H1026-L1288 HydrophobicContact CB-CD2 3.56Å; H1026-L1288 HydrophobicContact CB-CG 4.33Å; L1028-L1288 HydrophobicContact CD2-CB 3.73Å; L1028-L1288 HydrophobicContact CD2-CD2 3.56Å; L1028-L1288 HydrophobicContact CD2-CG 4.29Å; L1028-L1288 HydrophobicContact CG-CD2 3.69Å; V1262-L1288 CarbonylContact C-O 3.59Å; V1262-L1288 VanDerWaalsContact CA-O 3.31Å; V1262-L1288 WeakPolarHBondContact CA-O 3.36Å; T1263-L1288 PolarHBondContact N-O 3.09Å; T1263-L1288 PolarHBondContact O-N 3.17Å; T1263-L1288 WeakPolarHBondContact OG1-CB 3.41Å; T1263-L1288 PolarHBondContact OG1-O 3.29Å; F1286-L1288 HydrophobicContact CD1-CB 4.33Å; F1286-L1288 HydrophobicContact CE1-CB 4.17Å |
| 1289 | S | 87.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.9 | -179.8 | -176 | 0 | 0 | 0 | 0 | 112.4 | L1261 | L1261-S1289 WeakPolarHBondContact O-CA 3.2Å |
| 1290 | Q | 88.5 | Confident | 80.7 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.4 | 168.3 | -175.5 | 169.4 | 26.1 | 0 | 0 | 111.1 | I994 P995 H1026 L1261 F1292 | I994-Q1290 HydrophobicContact CG2-CB 4.09Å; I994-Q1290 HydrophobicContact CG2-CG 3.78Å; P995-Q1290 PolarHBondContact O-NE2 2.9Å; P995-Q1290 VanDerWaalsContact O-NE2 3.12Å; H1026-Q1290 VanDerWaalsContact NE2-CB 3.26Å; H1026-Q1290 WeakPolarHBondContact NE2-CB 3.5Å; L1261-Q1290 PolarHBondContact N-O 3.22Å; L1261-Q1290 PolarHBondContact O-N 3.23Å; Q1290-F1292 HydrophobicContact CB-CE2 3.9Å; Q1290-F1292 HydrophobicContact CB-CZ 4.23Å; Q1290-F1292 VanDerWaalsContact CD-CZ 3.43Å; Q1290-F1292 HydrophobicContact CG-CD2 4.47Å; Q1290-F1292 HydrophobicContact CG-CE1 4.39Å; Q1290-F1292 HydrophobicContact CG-CE2 3.7Å; Q1290-F1292 HydrophobicContact CG-CZ 3.65Å; Q1290-F1292 WeakPolarHBondContact O-CD2 3.23Å; Q1290-F1292 VanDerWaalsContact OE1-CZ 3.3Å |
| 1291 | T | 86.4 | Confident | 79.1 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 23% | 0.233 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.5 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | S996 R997 K1204 V1259 D1260 | S996-T1291 CarbonylContact C-O 3.55Å; S996-T1291 WeakPolarHBondContact CA-O 3.42Å; R997-T1291 PolarHBondContact N-O 3.24Å; R997-T1291 VanDerWaalsContact N-O 3.09Å; K1204-T1291 HydrophobicContact CD-CG2 4.45Å; K1204-T1291 PolarHBondContact NZ-OG1 2.83Å; V1259-T1291 CarbonylContact O-C 3.26Å; V1259-T1291 WeakPolarHBondContact O-CA 3.19Å; D1260-T1291 VanDerWaalsContact OD1-CA 3.28Å; D1260-T1291 WeakPolarHBondContact OD1-CA 3.44Å; D1260-T1291 WeakPolarHBondContact OD1-CB 3.41Å; D1260-T1291 WeakPolarHBondContact OD1-CG2 3.36Å; D1260-T1291 PolarHBondContact OD1-OG1 3.12Å |
| 1292 | F | 87.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.8 | 170 | -60.3 | -87.3 | 0 | 0 | 0 | 110.4 | R997 P1022 V1024 L1246 V1259 L1261 Q1290 F1294 | R997-F1292 HydrophobicContact CB-CD1 3.79Å; R997-F1292 HydrophobicContact CB-CE1 3.87Å; R997-F1292 WeakPolarHBondContact O-CA 3.38Å; P1022-F1292 HydrophobicContact CB-CD1 3.97Å; P1022-F1292 HydrophobicContact CB-CE1 4.06Å; P1022-F1292 HydrophobicContact CG-CD1 3.61Å; P1022-F1292 HydrophobicContact CG-CE1 4.03Å; P1022-F1292 HydrophobicContact CG-CG 4.46Å; V1024-F1292 HydrophobicContact CB-CZ 4.27Å; V1024-F1292 HydrophobicContact CG1-CZ 4.29Å; V1024-F1292 HydrophobicContact CG2-CE1 4.29Å; V1024-F1292 HydrophobicContact CG2-CE2 4.18Å; V1024-F1292 HydrophobicContact CG2-CZ 3.64Å; L1246-F1292 HydrophobicContact CD2-CB 3.83Å; L1246-F1292 HydrophobicContact CD2-CD1 4.19Å; L1246-F1292 HydrophobicContact CD2-CD2 3.93Å; L1246-F1292 HydrophobicContact CD2-CG 3.7Å; V1259-F1292 HydrophobicContact CB-CB 4.49Å; V1259-F1292 PolarHBondContact N-O 3.15Å; V1259-F1292 PolarHBondContact O-N 3.29Å; L1261-F1292 HydrophobicContact CB-CD2 4.39Å; L1261-F1292 HydrophobicContact CB-CE2 4.05Å; Q1290-F1292 HydrophobicContact CB-CE2 3.9Å; Q1290-F1292 HydrophobicContact CB-CZ 4.23Å; Q1290-F1292 VanDerWaalsContact CD-CZ 3.43Å; Q1290-F1292 HydrophobicContact CG-CD2 4.47Å; Q1290-F1292 HydrophobicContact CG-CE1 4.39Å; Q1290-F1292 HydrophobicContact CG-CE2 3.7Å; Q1290-F1292 HydrophobicContact CG-CZ 3.65Å; Q1290-F1292 WeakPolarHBondContact O-CD2 3.23Å; Q1290-F1292 VanDerWaalsContact OE1-CZ 3.3Å; F1292-F1294 HydrophobicContact CB-CE2 4.16Å |
| 1293 | F | 83.3 | Confident | 75.8 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 31% | 0.307 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.7 | -175.5 | -176.5 | -115.7 | 0 | 0 | 0 | 111.5 | R997 M998 D999 D1258 P1295 | R997-F1293 PolarHBondContact O-N 2.84Å; R997-F1293 VanDerWaalsContact O-N 3.07Å; M998-F1293 CarbonylContact C-O 3.49Å; M998-F1293 VanDerWaalsContact CA-O 3.32Å; M998-F1293 WeakPolarHBondContact CA-O 3.48Å; M998-F1293 HydrophobicContact CE-CD1 3.83Å; M998-F1293 HydrophobicContact CE-CE1 4.14Å; M998-F1293 HydrophobicContact CG-CD1 4.1Å; D999-F1293 PolarHBondContact N-O 2.88Å; D1258-F1293 WeakPolarHBondContact OD1-CE2 3.26Å; F1293-P1295 HydrophobicContact CD1-CB 4.24Å; F1293-P1295 HydrophobicContact CD1-CG 4.14Å; F1293-P1295 HydrophobicContact CE1-CB 3.55Å; F1293-P1295 HydrophobicContact CE1-CG 3.91Å; F1293-P1295 HydrophobicContact CZ-CB 3.94Å; F1293-P1295 VanDerWaalsContact O-CD 3.3Å; F1293-P1295 WeakPolarHBondContact O-CD 3.48Å |
| 1294 | F | 81 | Confident | 74 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -116.1 | 78.7 | -179.4 | -69.9 | -97.6 | 0 | 0 | 0 | 109.8 | D999 P1022 L1246 A1248 L1251 F1252 S1257 F1292 Q1296 I1297 | D999-F1294 HydrophobicContact CB-CD1 3.81Å; D999-F1294 HydrophobicContact CB-CE1 3.52Å; D999-F1294 HydrophobicContact CB-CZ 4Å; P1022-F1294 HydrophobicContact CG-CZ 4.05Å; L1246-F1294 HydrophobicContact CD2-CE2 3.83Å; L1246-F1294 HydrophobicContact CD2-CZ 4.07Å; A1248-F1294 HydrophobicContact CB-CE1 3.93Å; A1248-F1294 HydrophobicContact CB-CZ 4.3Å; L1251-F1294 HydrophobicContact CD1-CD2 3.98Å; L1251-F1294 HydrophobicContact CD1-CE2 3.35Å; L1251-F1294 HydrophobicContact CD1-CZ 3.67Å; F1252-F1294 HydrophobicContact CE2-CD1 4Å; F1252-F1294 HydrophobicContact CE2-CE1 4.32Å; F1252-F1294 HydrophobicContact CZ-CD1 4.37Å; S1257-F1294 PolarHBondContact O-N 3.21Å; F1292-F1294 HydrophobicContact CB-CE2 4.16Å; F1294-Q1296 PolarHBondContact O-N 3.09Å; F1294-I1297 HydrophobicContact CB-CB 4.3Å; F1294-I1297 HydrophobicContact CB-CD1 3.55Å; F1294-I1297 HydrophobicContact CB-CG1 3.86Å; F1294-I1297 HydrophobicContact CD1-CD1 4.07Å; F1294-I1297 HydrophobicContact CG-CD1 3.88Å; F1294-I1297 PolarHBondContact O-N 3.19Å | ||
| 1295 | P | 73.3 | Confident | 72.5 | Confident | 45 Ų | 45 | 78 Ų | 78 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.6 | -171 | 16.9 | -28.5 | 0 | 0 | 0 | 114.7 | M998 N1000 F1293 | M998-P1295 HydrophobicContact CG-CG 4.14Å; M998-P1295 HydrophobicContact SD-CG 4.28Å; N1000-P1295 WeakPolarHBondContact OD1-CG 3.3Å; F1293-P1295 HydrophobicContact CD1-CB 4.24Å; F1293-P1295 HydrophobicContact CD1-CG 4.14Å; F1293-P1295 HydrophobicContact CE1-CB 3.55Å; F1293-P1295 HydrophobicContact CE1-CG 3.91Å; F1293-P1295 HydrophobicContact CZ-CB 3.94Å; F1293-P1295 VanDerWaalsContact O-CD 3.3Å; F1293-P1295 WeakPolarHBondContact O-CD 3.48Å |
| 1296 | Q | 73.3 | Confident | 71.1 | Confident | 97 Ų | 97 | 76.6 Ų | 76.6 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -14 | -178 | -55.9 | -58.9 | -28.4 | 0 | 0 | 113.3 | N1000 R1001 F1294 R1298 | N1000-Q1296 WeakPolarHBondContact O-CG 3.21Å; R1001-Q1296 WeakPolarHBondContact O-CB 3.33Å; F1294-Q1296 PolarHBondContact O-N 3.09Å; Q1296-R1298 PolarHBondContact O-N 3.03Å |
| 1297 | I | 71.3 | Confident | 70.1 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | trans | -74.4 | 99.1 | 171.8 | -63.9 | 177.2 | 0 | 0 | 0 | 107.4 | L1251 F1252 H1255 I1256 S1257 F1294 P1299 | L1251-I1297 HydrophobicContact CB-CD1 4.13Å; F1252-I1297 HydrophobicContact CD1-CD1 3.97Å; F1252-I1297 HydrophobicContact CD1-CG1 3.62Å; F1252-I1297 HydrophobicContact CD2-CD1 3.84Å; F1252-I1297 HydrophobicContact CD2-CG1 4.33Å; F1252-I1297 HydrophobicContact CE1-CD1 3.91Å; F1252-I1297 HydrophobicContact CE1-CG1 3.3Å; F1252-I1297 HydrophobicContact CE2-CD1 3.73Å; F1252-I1297 HydrophobicContact CE2-CG1 4.03Å; F1252-I1297 HydrophobicContact CG-CD1 3.9Å; F1252-I1297 HydrophobicContact CG-CG1 4.1Å; F1252-I1297 HydrophobicContact CZ-CD1 3.74Å; F1252-I1297 HydrophobicContact CZ-CG1 3.48Å; F1252-I1297 VanDerWaalsContact CZ-CG1 3.48Å; H1255-I1297 HydrophobicContact CB-CG2 4.42Å; I1256-I1297 WeakPolarHBondContact O-CD1 3.48Å; S1257-I1297 WeakPolarHBondContact CB-O 3.34Å; F1294-I1297 HydrophobicContact CB-CB 4.3Å; F1294-I1297 HydrophobicContact CB-CD1 3.55Å; F1294-I1297 HydrophobicContact CB-CG1 3.86Å; F1294-I1297 HydrophobicContact CD1-CD1 4.07Å; F1294-I1297 HydrophobicContact CG-CD1 3.88Å; F1294-I1297 PolarHBondContact O-N 3.19Å; I1297-P1299 WeakPolarHBondContact O-CD 3.25Å | ||
| 1298 | R | 66 | Low | 69.7 | Low | 208 Ų | 208 | 83.8 Ų | 83.8 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | trans | -71.1 | 111.6 | 169.8 | -62.6 | -176.5 | -174.8 | -179.5 | 1.6 | 108.1 | Q1296 | Q1296-R1298 PolarHBondContact O-N 3.03Š| ||
| 1299 | P | 61.4 | Low | 69.3 | Low | 25 Ų | 25 | 86.9 Ų | 86.9 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | trans | -63.1 | 140.8 | 172 | 28.3 | -33.9 | 0 | 0 | 0 | 108.5 | I1297 L1301 | I1297-P1299 WeakPolarHBondContact O-CD 3.25Å; P1299-L1301 VanDerWaalsContact C-N 3.29Å; P1299-L1301 HydrophobicContact CG-CD1 4.04Å; P1299-L1301 PolarHBondContact O-N 2.94Å | ||
| 1300 | K | 55.1 | Low | 69.1 | Low | 144 Ų | 144 | 89.3 Ų | 89.3 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | trans | -68.4 | 92.3 | 168.7 | -75.9 | 177.9 | 174.7 | 161.4 | 0 | 108 | H1255 I1302 | H1255-K1300 WeakPolarHBondContact NE2-CE 2.94Å; H1255-K1300 PolarHBondContact NE2-NZ 3.44Å; K1300-I1302 HydrophobicContact CB-CG1 4.38Å; K1300-I1302 PolarHBondContact O-N 3.5Å | ||
| 1301 | L | 49.6 | Very low | 69 | Low | 119 Ų | 119 | 93.4 Ų | 93.4 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | trans | -68.7 | 71.5 | 170.1 | -78.8 | 115.9 | 0 | 0 | 0 | 109.9 | P1299 H1303 | P1299-L1301 VanDerWaalsContact C-N 3.29Å; P1299-L1301 HydrophobicContact CG-CD1 4.04Å; P1299-L1301 PolarHBondContact O-N 2.94Å; L1301-H1303 PolarHBondContact O-N 2.92Å | ||
| 1302 | I | 45 | Very low | 69.2 | Low | 131 Ų | 131 | 93.7 Ų | 93.7 | 67% | 0.672 | 46% | 0.456 | S | S | * | . | trans | -94.1 | 54 | 161.2 | -45 | 177 | 0 | 0 | 0 | 107.3 | K1300 Q1304 | K1300-I1302 HydrophobicContact CB-CG1 4.38Å; K1300-I1302 PolarHBondContact O-N 3.5Å; I1302-Q1304 VanDerWaalsContact C-N 3.31Å; I1302-Q1304 HydrophobicContact CG2-CG 4.12Å; I1302-Q1304 PolarHBondContact O-N 2.93Å | ||
| 1303 | H | 48.4 | Very low | 69.4 | Low | 148 Ų | 148 | 95.8 Ų | 95.8 | 69% | 0.685 | 48% | 0.477 | S | S | * | . | trans | -69.3 | 107.1 | 143.3 | -76.2 | -57.5 | 0 | 0 | 0 | 104.8 | L1301 L1305 | L1301-H1303 PolarHBondContact O-N 2.92Å; H1303-L1305 PolarHBondContact O-N 3.11Å | ||
| 1304 | Q | 47 | Very low | 69.9 | Low | 171 Ų | 171 | 97.4 Ų | 97.4 | 80% | 0.799 | 49% | 0.488 | S | S | * | . | trans | -60.8 | 88.6 | 165.2 | -65 | 174.4 | -12.7 | 0 | 0 | 106.6 | I1302 P1306 | I1302-Q1304 VanDerWaalsContact C-N 3.31Å; I1302-Q1304 HydrophobicContact CG2-CG 4.12Å; I1302-Q1304 PolarHBondContact O-N 2.93Å; Q1304-P1306 VanDerWaalsContact O-CD 3.26Å; Q1304-P1306 WeakPolarHBondContact O-CD 3.35Å; Q1304-P1306 VanDerWaalsContact O-N 3.1Å | ||
| 1305 | L | 52.9 | Low | 70.5 | Confident | 125 Ų | 125 | 102 Ų | 102 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | trans | -56.5 | 118.6 | 156.8 | -80.3 | 97.5 | 0 | 0 | 0 | 104.2 | H1303 I1307 | H1303-L1305 PolarHBondContact O-N 3.11Å; L1305-I1307 PolarHBondContact O-N 2.87Å | ||
| 1306 | P | 62.9 | Low | 71.4 | Confident | 84 Ų | 84 | 105.1 Ų | 105.1 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | trans | -57.3 | 121.8 | 173 | 25.4 | -32.7 | 0 | 0 | 0 | 105.4 | Q1304 W1308 P1309 | Q1304-P1306 VanDerWaalsContact O-CD 3.26Å; Q1304-P1306 WeakPolarHBondContact O-CD 3.35Å; Q1304-P1306 VanDerWaalsContact O-N 3.1Å; P1306-W1308 PolarHBondContact O-N 2.7Å; P1306-P1309 HydrophobicContact CB-CG 4.42Å; P1306-P1309 HydrophobicContact CG-CG 4.09Å; P1306-P1309 WeakPolarHBondContact O-CD 3.35Å | ||
| 1307 | I | 70.6 | Confident | 72.3 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -73.2 | -22.4 | -176.1 | -54.5 | 176.2 | 0 | 0 | 0 | 109.4 | L1305 I1310 I1311 | L1305-I1307 PolarHBondContact O-N 2.87Å; I1307-I1310 WeakPolarHBondContact O-CB 3.37Å; I1307-I1310 PolarHBondContact O-N 3.3Å; I1307-I1311 HydrophobicContact CG2-CD1 3.83Å; I1307-I1311 HydrophobicContact CG2-CG1 4.16Å; I1307-I1311 WeakPolarHBondContact O-CG1 3.33Å; I1307-I1311 PolarHBondContact O-N 2.78Å; I1307-I1311 VanDerWaalsContact O-N 3.07Å |
| 1308 | W | 82.9 | Confident | 73.4 | Confident | 181 Ų | 181 | 106.5 Ų | 106.5 | 69% | 0.686 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -48.9 | -50.6 | 178.9 | 133.7 | -101.1 | 0 | 0 | 0 | 115.5 | P1306 I1310 I1311 V1312 | P1306-W1308 PolarHBondContact O-N 2.7Å; W1308-I1310 VanDerWaalsContact C-N 3.3Å; W1308-I1310 PolarHBondContact O-N 3.28Å; W1308-I1311 PolarHBondContact O-N 3.28Å; W1308-V1312 HydrophobicContact CD2-CG2 3.9Å; W1308-V1312 HydrophobicContact CE3-CG2 3.31Å; W1308-V1312 HydrophobicContact CH2-CG2 3.56Å; W1308-V1312 HydrophobicContact CZ2-CG2 4.11Å; W1308-V1312 HydrophobicContact CZ3-CG2 3.15Å; W1308-V1312 VanDerWaalsContact O-CG2 3.3Å; W1308-V1312 WeakPolarHBondContact O-CG2 3.42Å; W1308-V1312 PolarHBondContact O-N 2.63Å |
| 1309 | P | 83 | Confident | 74.6 | Confident | 65 Ų | 65 | 101.6 Ų | 101.6 | 42% | 0.422 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.7 | -27.7 | -178.7 | -16.1 | 33.2 | 0 | 0 | 0 | 112.7 | P1306 G1313 | P1306-P1309 HydrophobicContact CB-CG 4.42Å; P1306-P1309 HydrophobicContact CG-CG 4.09Å; P1306-P1309 WeakPolarHBondContact O-CD 3.35Å; P1309-G1313 PolarHBondContact O-N 2.83Å |
| 1310 | I | 81.2 | Confident | 76 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.8 | -45.6 | 173.4 | -58.4 | 173.6 | 0 | 0 | 0 | 109.1 | I1307 W1308 V1312 G1313 I1314 | I1307-I1310 WeakPolarHBondContact O-CB 3.37Å; I1307-I1310 PolarHBondContact O-N 3.3Å; W1308-I1310 VanDerWaalsContact C-N 3.3Å; W1308-I1310 PolarHBondContact O-N 3.28Å; I1310-V1312 PolarHBondContact O-N 3.19Å; I1310-G1313 PolarHBondContact O-N 2.51Å; I1310-I1314 HydrophobicContact CG2-CD1 3.96Å; I1310-I1314 VanDerWaalsContact O-CG1 3.3Å; I1310-I1314 WeakPolarHBondContact O-CG1 3.49Å; I1310-I1314 PolarHBondContact O-N 3.35Å |
| 1311 | I | 86.7 | Confident | 77.7 | Confident | 91 Ų | 91 | 105.3 Ų | 105.3 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.8 | -46.7 | 175.2 | -66.2 | 166.4 | 0 | 0 | 0 | 110.6 | I1307 W1308 I1314 I1315 | I1307-I1311 HydrophobicContact CG2-CD1 3.83Å; I1307-I1311 HydrophobicContact CG2-CG1 4.16Å; I1307-I1311 WeakPolarHBondContact O-CG1 3.33Å; I1307-I1311 PolarHBondContact O-N 2.78Å; I1307-I1311 VanDerWaalsContact O-N 3.07Å; W1308-I1311 PolarHBondContact O-N 3.28Å; I1311-I1314 PolarHBondContact O-N 3.36Å; I1311-I1315 HydrophobicContact CG2-CD1 3.76Å; I1311-I1315 VanDerWaalsContact O-CG1 3.31Å; I1311-I1315 WeakPolarHBondContact O-CG1 3.36Å; I1311-I1315 PolarHBondContact O-N 3.29Å |
| 1312 | V | 90.8 | Very high | 79.6 | Confident | 44 Ų | 44 | 106.9 Ų | 106.9 | 27% | 0.267 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -45.3 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 112 | W1308 I1310 I1314 I1315 L1316 | W1308-V1312 HydrophobicContact CD2-CG2 3.9Å; W1308-V1312 HydrophobicContact CE3-CG2 3.31Å; W1308-V1312 HydrophobicContact CH2-CG2 3.56Å; W1308-V1312 HydrophobicContact CZ2-CG2 4.11Å; W1308-V1312 HydrophobicContact CZ3-CG2 3.15Å; W1308-V1312 VanDerWaalsContact O-CG2 3.3Å; W1308-V1312 WeakPolarHBondContact O-CG2 3.42Å; W1308-V1312 PolarHBondContact O-N 2.63Å; I1310-V1312 PolarHBondContact O-N 3.19Å; V1312-I1314 VanDerWaalsContact C-N 3.34Å; V1312-I1314 PolarHBondContact O-N 3.39Å; V1312-I1315 PolarHBondContact O-N 3.06Å; V1312-L1316 HydrophobicContact CG1-CD1 3.89Å; V1312-L1316 WeakPolarHBondContact O-CB 3.43Å; V1312-L1316 PolarHBondContact O-N 3.41Å |
| 1313 | G | 91.9 | Very high | 81.7 | Confident | 43 Ų | 43 | 106 Ų | 106 | 44% | 0.443 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1309 I1310 G1317 | P1309-G1313 PolarHBondContact O-N 2.83Å; I1310-G1313 PolarHBondContact O-N 2.51Å; G1313-G1317 PolarHBondContact O-N 3.37Å |
| 1314 | I | 93.4 | Very high | 83.5 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 54% | 0.538 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.2 | -68.1 | 166.3 | 0 | 0 | 0 | 110.6 | I1310 I1311 V1312 G1317 V1318 | I1310-I1314 HydrophobicContact CG2-CD1 3.96Å; I1310-I1314 VanDerWaalsContact O-CG1 3.3Å; I1310-I1314 WeakPolarHBondContact O-CG1 3.49Å; I1310-I1314 PolarHBondContact O-N 3.35Å; I1311-I1314 PolarHBondContact O-N 3.36Å; V1312-I1314 VanDerWaalsContact C-N 3.34Å; V1312-I1314 PolarHBondContact O-N 3.39Å; I1314-G1317 PolarHBondContact O-N 2.95Å; I1314-V1318 HydrophobicContact CG2-CG2 4.36Å; I1314-V1318 WeakPolarHBondContact O-CB 2.99Å; I1314-V1318 VanDerWaalsContact O-CG2 3.3Å; I1314-V1318 WeakPolarHBondContact O-CG2 3.5Å; I1314-V1318 PolarHBondContact O-N 3.39Å |
| 1315 | I | 93.6 | Very high | 85.3 | Confident | 96 Ų | 96 | 98 Ų | 98 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 179.1 | -70.6 | 168.4 | 0 | 0 | 0 | 111.2 | I1311 V1312 V1318 L1319 | I1311-I1315 HydrophobicContact CG2-CD1 3.76Å; I1311-I1315 VanDerWaalsContact O-CG1 3.31Å; I1311-I1315 WeakPolarHBondContact O-CG1 3.36Å; I1311-I1315 PolarHBondContact O-N 3.29Å; V1312-I1315 PolarHBondContact O-N 3.06Å; I1315-V1318 PolarHBondContact O-N 3.47Å; I1315-L1319 HydrophobicContact CG2-CD1 4.18Å; I1315-L1319 WeakPolarHBondContact O-CB 3.39Å; I1315-L1319 PolarHBondContact O-N 2.76Å |
| 1316 | L | 92.3 | Very high | 86.8 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 175.9 | -85.2 | 165.5 | 0 | 0 | 0 | 112.2 | V1312 L1319 F1320 | V1312-L1316 HydrophobicContact CG1-CD1 3.89Å; V1312-L1316 WeakPolarHBondContact O-CB 3.43Å; V1312-L1316 PolarHBondContact O-N 3.41Å; L1316-L1319 PolarHBondContact O-N 2.79Å; L1316-F1320 WeakPolarHBondContact O-CB 3.32Å; L1316-F1320 PolarHBondContact O-N 3.37Å |
| 1317 | G | 92.9 | Very high | 87.7 | Confident | 40 Ų | 40 | 95.8 Ų | 95.8 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1313 I1314 F1320 L1321 | G1313-G1317 PolarHBondContact O-N 3.37Å; I1314-G1317 PolarHBondContact O-N 2.95Å; G1317-F1320 PolarHBondContact O-N 3.17Å; G1317-L1321 VanDerWaalsContact O-CB 3.3Å; G1317-L1321 WeakPolarHBondContact O-CB 3.17Å; G1317-L1321 PolarHBondContact O-N 3.22Å |
| 1318 | V | 93.6 | Very high | 88.3 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | I1314 I1315 L1321 Y1322 | I1314-V1318 HydrophobicContact CG2-CG2 4.36Å; I1314-V1318 WeakPolarHBondContact O-CB 2.99Å; I1314-V1318 VanDerWaalsContact O-CG2 3.3Å; I1314-V1318 WeakPolarHBondContact O-CG2 3.5Å; I1314-V1318 PolarHBondContact O-N 3.39Å; I1315-V1318 PolarHBondContact O-N 3.47Å; V1318-L1321 PolarHBondContact O-N 3.08Å; V1318-Y1322 VanDerWaalsContact O-CB 3.27Å; V1318-Y1322 WeakPolarHBondContact O-CB 3.42Å; V1318-Y1322 PolarHBondContact O-N 3.25Å |
| 1319 | L | 90.5 | Very high | 87.8 | Confident | 105 Ų | 105 | 92 Ų | 92 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.5 | -95.5 | 162.2 | 0 | 0 | 0 | 111.9 | I1315 L1316 Y1322 L1323 | I1315-L1319 HydrophobicContact CG2-CD1 4.18Å; I1315-L1319 WeakPolarHBondContact O-CB 3.39Å; I1315-L1319 PolarHBondContact O-N 2.76Å; L1316-L1319 PolarHBondContact O-N 2.79Å; L1319-Y1322 PolarHBondContact O-N 2.77Å; L1319-L1323 WeakPolarHBondContact O-CB 3.5Å; L1319-L1323 PolarHBondContact O-N 2.83Å |
| 1320 | F | 91.2 | Very high | 87.4 | Confident | 144 Ų | 144 | 95.7 Ų | 95.7 | 63% | 0.632 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 178.3 | -171.7 | -99.1 | 0 | 0 | 0 | 111.6 | L1316 G1317 Y1322 L1323 L1324 | L1316-F1320 WeakPolarHBondContact O-CB 3.32Å; L1316-F1320 PolarHBondContact O-N 3.37Å; G1317-F1320 PolarHBondContact O-N 3.17Å; F1320-Y1322 PolarHBondContact O-N 2.82Å; F1320-L1323 PolarHBondContact O-N 3.08Å; F1320-L1324 HydrophobicContact CD1-CD1 4.39Å; F1320-L1324 HydrophobicContact CE1-CD1 3.86Å; F1320-L1324 WeakPolarHBondContact O-CB 3.01Å; F1320-L1324 PolarHBondContact O-N 2.01Å |
| 1321 | L | 90.9 | Very high | 86.8 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.6 | -174.4 | 73.2 | 0 | 0 | 0 | 111.8 | G1317 V1318 L1324 I1325 | G1317-L1321 VanDerWaalsContact O-CB 3.3Å; G1317-L1321 WeakPolarHBondContact O-CB 3.17Å; G1317-L1321 PolarHBondContact O-N 3.22Å; V1318-L1321 PolarHBondContact O-N 3.08Å; L1321-L1324 WeakPolarHBondContact O-CB 2.95Å; L1321-L1324 PolarHBondContact O-N 3.23Å; L1321-I1325 HydrophobicContact CD2-CD1 4.49Å; L1321-I1325 HydrophobicContact CG-CD1 4.03Å; L1321-I1325 VanDerWaalsContact O-CG1 3.3Å; L1321-I1325 WeakPolarHBondContact O-CG1 3.42Å; L1321-I1325 PolarHBondContact O-N 3.45Å |
| 1322 | Y | 89.6 | Confident | 85.4 | Confident | 152 Ų | 152 | 95 Ų | 95 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 177.4 | -176 | -106.9 | 0 | 0 | 0 | 111.7 | V1318 L1319 F1320 I1325 I1326 | V1318-Y1322 VanDerWaalsContact O-CB 3.27Å; V1318-Y1322 WeakPolarHBondContact O-CB 3.42Å; V1318-Y1322 PolarHBondContact O-N 3.25Å; L1319-Y1322 PolarHBondContact O-N 2.77Å; F1320-Y1322 PolarHBondContact O-N 2.82Å; Y1322-I1325 PolarHBondContact O-N 2.96Å; Y1322-I1326 HydrophobicContact CD1-CD1 3.79Å; Y1322-I1326 HydrophobicContact CE1-CD1 3.33Å; Y1322-I1326 HydrophobicContact CE1-CG1 4.4Å; Y1322-I1326 HydrophobicContact CE2-CD1 4.43Å; Y1322-I1326 WeakPolarHBondContact O-CG1 3.27Å; Y1322-I1326 PolarHBondContact O-N 3.5Å |
| 1323 | L | 88.9 | Confident | 84 | Confident | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 175.1 | -152.8 | 162.6 | 0 | 0 | 0 | 111.3 | L1319 F1320 I1326 L1327 | L1319-L1323 WeakPolarHBondContact O-CB 3.5Å; L1319-L1323 PolarHBondContact O-N 2.83Å; F1320-L1323 PolarHBondContact O-N 3.08Å; L1323-I1326 PolarHBondContact O-N 3.33Å; L1323-L1327 WeakPolarHBondContact O-CB 3.37Å; L1323-L1327 PolarHBondContact O-N 2.92Å |
| 1324 | L | 87.5 | Confident | 82.4 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175 | -130.2 | 171.5 | 0 | 0 | 0 | 112.3 | F1320 L1321 L1327 L1328 | F1320-L1324 HydrophobicContact CD1-CD1 4.39Å; F1320-L1324 HydrophobicContact CE1-CD1 3.86Å; F1320-L1324 WeakPolarHBondContact O-CB 3.01Å; F1320-L1324 PolarHBondContact O-N 2.01Å; L1321-L1324 WeakPolarHBondContact O-CB 2.95Å; L1321-L1324 PolarHBondContact O-N 3.23Å; L1324-L1327 PolarHBondContact O-N 2.9Å; L1324-L1328 HydrophobicContact CD2-CD1 3.78Å; L1324-L1328 HydrophobicContact CD2-CG 4.06Å; L1324-L1328 WeakPolarHBondContact O-CB 3.49Å; L1324-L1328 VanDerWaalsContact O-CG 3.31Å; L1324-L1328 WeakPolarHBondContact O-CG 3.48Å; L1324-L1328 PolarHBondContact O-N 2.93Å |
| 1325 | I | 84.7 | Confident | 80.3 | Confident | 80 Ų | 80 | 109.4 Ų | 109.4 | 41% | 0.41 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.2 | -70.1 | 165.1 | 0 | 0 | 0 | 110.7 | L1321 Y1322 L1327 L1328 Y1329 | L1321-I1325 HydrophobicContact CD2-CD1 4.49Å; L1321-I1325 HydrophobicContact CG-CD1 4.03Å; L1321-I1325 VanDerWaalsContact O-CG1 3.3Å; L1321-I1325 WeakPolarHBondContact O-CG1 3.42Å; L1321-I1325 PolarHBondContact O-N 3.45Å; Y1322-I1325 PolarHBondContact O-N 2.96Å; I1325-L1327 VanDerWaalsContact C-N 3.35Å; I1325-L1328 PolarHBondContact O-N 3.23Å; I1325-Y1329 VanDerWaalsContact O-CB 3.29Å; I1325-Y1329 WeakPolarHBondContact O-CB 3.28Å; I1325-Y1329 PolarHBondContact O-N 2.99Å |
| 1326 | I | 83.9 | Confident | 78 | Confident | 70 Ų | 70 | 114.8 Ų | 114.8 | 36% | 0.359 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.9 | -45.3 | 174.1 | -76.4 | 174.3 | 0 | 0 | 0 | 110.8 | Y1322 L1323 Y1329 L1330 | Y1322-I1326 HydrophobicContact CD1-CD1 3.79Å; Y1322-I1326 HydrophobicContact CE1-CD1 3.33Å; Y1322-I1326 HydrophobicContact CE1-CG1 4.4Å; Y1322-I1326 HydrophobicContact CE2-CD1 4.43Å; Y1322-I1326 WeakPolarHBondContact O-CG1 3.27Å; Y1322-I1326 PolarHBondContact O-N 3.5Å; L1323-I1326 PolarHBondContact O-N 3.33Å; I1326-Y1329 PolarHBondContact O-N 3.26Å; I1326-L1330 HydrophobicContact CG2-CD1 3.78Å; I1326-L1330 WeakPolarHBondContact O-CB 3.25Å; I1326-L1330 PolarHBondContact O-N 2.86Å |
| 1327 | L | 82.6 | Confident | 75.5 | Confident | 93 Ų | 93 | 121.7 Ų | 121.7 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -47.2 | 178.1 | -165.2 | 80.3 | 0 | 0 | 0 | 111.4 | L1323 L1324 I1325 Y1329 L1330 L1331 | L1323-L1327 WeakPolarHBondContact O-CB 3.37Å; L1323-L1327 PolarHBondContact O-N 2.92Å; L1324-L1327 PolarHBondContact O-N 2.9Å; I1325-L1327 VanDerWaalsContact C-N 3.35Å; L1327-Y1329 VanDerWaalsContact C-N 3.31Å; L1327-Y1329 PolarHBondContact O-N 3.16Å; L1327-L1330 PolarHBondContact O-N 3.11Å; L1327-L1331 HydrophobicContact CD2-CD1 4.33Å; L1327-L1331 HydrophobicContact CG-CD1 3.98Å; L1327-L1331 WeakPolarHBondContact O-CB 3.44Å; L1327-L1331 WeakPolarHBondContact O-CD1 3.39Å; L1327-L1331 VanDerWaalsContact O-CG 3.29Å; L1327-L1331 WeakPolarHBondContact O-CG 3.36Å; L1327-L1331 PolarHBondContact O-N 3.38Å |
| 1328 | L | 81.4 | Confident | 72.9 | Confident | 52 Ų | 52 | 129.5 Ų | 129.5 | 27% | 0.272 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.9 | -33 | 177 | -73.5 | 167.1 | 0 | 0 | 0 | 112.7 | L1324 I1325 G1332 F1333 F1334 | L1324-L1328 HydrophobicContact CD2-CD1 3.78Å; L1324-L1328 HydrophobicContact CD2-CG 4.06Å; L1324-L1328 WeakPolarHBondContact O-CB 3.49Å; L1324-L1328 VanDerWaalsContact O-CG 3.31Å; L1324-L1328 WeakPolarHBondContact O-CG 3.48Å; L1324-L1328 PolarHBondContact O-N 2.93Å; I1325-L1328 PolarHBondContact O-N 3.23Å; L1328-G1332 PolarHBondContact O-N 3.19Å; L1328-F1333 HydrophobicContact CB-CB 4.33Å; L1328-F1333 HydrophobicContact CD2-CB 4.18Å; L1328-F1333 HydrophobicContact CD2-CD1 4.22Å; L1328-F1333 HydrophobicContact CD2-CG 4.09Å; L1328-F1333 VanDerWaalsContact O-CB 3.27Å; L1328-F1333 WeakPolarHBondContact O-CB 3.47Å; L1328-F1333 PolarHBondContact O-N 3.11Å; L1328-F1334 HydrophobicContact CB-CD2 4.44Å; L1328-F1334 HydrophobicContact CB-CE2 3.7Å; L1328-F1334 HydrophobicContact CB-CZ 4.38Å |
| 1329 | Y | 73.5 | Confident | 70.5 | Confident | 172 Ų | 172 | 131.5 Ų | 131.5 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.2 | -45.1 | 174.5 | -173.5 | -93.5 | 0 | 0 | 0 | 111.8 | I1325 I1326 L1327 L1331 G1332 F1334 | I1325-Y1329 VanDerWaalsContact O-CB 3.29Å; I1325-Y1329 WeakPolarHBondContact O-CB 3.28Å; I1325-Y1329 PolarHBondContact O-N 2.99Å; I1326-Y1329 PolarHBondContact O-N 3.26Å; L1327-Y1329 VanDerWaalsContact C-N 3.31Å; L1327-Y1329 PolarHBondContact O-N 3.16Å; Y1329-L1331 VanDerWaalsContact C-N 3.33Å; Y1329-L1331 PolarHBondContact O-N 3.27Å; Y1329-G1332 PolarHBondContact O-N 3.03Å; Y1329-F1334 HydrophobicContact CD2-CD2 4.48Å |
| 1330 | L | 74.5 | Confident | 68.1 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.3 | -35.7 | 173.4 | -89.9 | 153.3 | 0 | 0 | 0 | 112.7 | I1326 L1327 G1332 | I1326-L1330 HydrophobicContact CG2-CD1 3.78Å; I1326-L1330 WeakPolarHBondContact O-CB 3.25Å; I1326-L1330 PolarHBondContact O-N 2.86Å; L1327-L1330 PolarHBondContact O-N 3.11Å; L1330-G1332 PolarHBondContact O-N 3.01Å |
| 1331 | L | 68.7 | Low | 65.6 | Low | 127 Ų | 127 | 134.7 Ų | 134.7 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 2.6 | 172 | -73.3 | 163.9 | 0 | 0 | 0 | 113.5 | L1327 Y1329 F1333 | L1327-L1331 HydrophobicContact CD2-CD1 4.33Å; L1327-L1331 HydrophobicContact CG-CD1 3.98Å; L1327-L1331 WeakPolarHBondContact O-CB 3.44Å; L1327-L1331 WeakPolarHBondContact O-CD1 3.39Å; L1327-L1331 VanDerWaalsContact O-CG 3.29Å; L1327-L1331 WeakPolarHBondContact O-CG 3.36Å; L1327-L1331 PolarHBondContact O-N 3.38Å; Y1329-L1331 VanDerWaalsContact C-N 3.33Å; Y1329-L1331 PolarHBondContact O-N 3.27Å; L1331-F1333 PolarHBondContact O-N 2.86Å |
| 1332 | G | 57.1 | Low | 63.2 | Low | 42 Ų | 42 | 140.5 Ų | 140.5 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.5 | 10.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1328 Y1329 L1330 F1334 R1335 | L1328-G1332 PolarHBondContact O-N 3.19Å; Y1329-G1332 PolarHBondContact O-N 3.03Å; L1330-G1332 PolarHBondContact O-N 3.01Å; G1332-F1334 PolarHBondContact O-N 3.06Å; G1332-F1334 VanDerWaalsContact O-N 3.11Å; G1332-R1335 PolarHBondContact O-N 2.78Å; G1332-R1335 VanDerWaalsContact O-N 3.17Å |
| 1333 | F | 62.4 | Low | 60.6 | Low | 133 Ų | 133 | 142.4 Ų | 142.4 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -31.5 | -173 | -175.2 | -104.4 | 0 | 0 | 0 | 113.2 | L1328 L1331 R1335 | L1328-F1333 HydrophobicContact CB-CB 4.33Å; L1328-F1333 HydrophobicContact CD2-CB 4.18Å; L1328-F1333 HydrophobicContact CD2-CD1 4.22Å; L1328-F1333 HydrophobicContact CD2-CG 4.09Å; L1328-F1333 VanDerWaalsContact O-CB 3.27Å; L1328-F1333 WeakPolarHBondContact O-CB 3.47Å; L1328-F1333 PolarHBondContact O-N 3.11Å; L1331-F1333 PolarHBondContact O-N 2.86Å; F1333-R1335 PolarHBondContact O-N 3.41Å |
| 1334 | F | 57.9 | Low | 58 | Low | 126 Ų | 126 | 141.3 Ų | 141.3 | 55% | 0.553 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 16.6 | -178.3 | -65.4 | -70 | 0 | 0 | 0 | 115.1 | L1328 Y1329 G1332 | L1328-F1334 HydrophobicContact CB-CD2 4.44Å; L1328-F1334 HydrophobicContact CB-CE2 3.7Å; L1328-F1334 HydrophobicContact CB-CZ 4.38Å; Y1329-F1334 HydrophobicContact CD2-CD2 4.48Å; G1332-F1334 PolarHBondContact O-N 3.06Å; G1332-F1334 VanDerWaalsContact O-N 3.11Å |
| 1335 | R | 48.9 | Very low | 55.4 | Low | 236 Ų | 236 | 144.9 Ų | 144.9 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | trans | -110.2 | 74.4 | -179.1 | -140.1 | 178.3 | -168.2 | -166.5 | 4.2 | 112.8 | G1332 F1333 | G1332-R1335 PolarHBondContact O-N 2.78Å; G1332-R1335 VanDerWaalsContact O-N 3.17Å; F1333-R1335 PolarHBondContact O-N 3.41Å | ||
| 1336 | R | 45 | Very low | 53.3 | Low | 210 Ų | 210 | 149.3 Ų | 149.3 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | trans | -100.9 | 139.1 | 173.9 | -80.3 | -175.8 | 168.8 | -166.5 | -7.6 | 112.8 | D1385 | R1336-D1385 IonicContact NH2-OD2 2.93Š| ||
| 1337 | R | 39.4 | Very low | 51.1 | Low | 255 Ų | 255 | 152.2 Ų | 152.2 | 96% | 0.962 | 73% | 0.728 | S | S | * | * | trans | -104.5 | 150.4 | -179.4 | -142.3 | 175.9 | -171.7 | -179.7 | 1.4 | 110.4 | ||||
| 1338 | K | 38.2 | Very low | 48.7 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | -97.7 | 138.2 | -172.5 | -63.7 | 174.9 | 176.2 | 177.3 | 0 | 113.4 | ||||
| 1339 | T | 43.6 | Very low | 46.5 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -155 | 110 | 158.1 | 43.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1340 | E | 39.8 | Very low | 44.9 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 57.7 | 70.3 | 87 | -76 | -60.6 | 153.7 | 0 | 0 | 115.7 | |||||
| 1341 | L | 38.9 | Very low | 43.1 | Very low | 156 Ų | 156 | 153 Ų | 153 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -148.2 | 28.6 | 157.7 | -129.3 | 132.6 | 0 | 0 | 0 | 113.4 | K1343 | L1341-K1343 PolarHBondContact O-N 3.39Å; L1341-K1343 VanDerWaalsContact O-N 3.11Å | ||
| 1342 | R | 40.3 | Very low | 41.8 | Very low | 224 Ų | 224 | 155.6 Ų | 155.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 23.9 | -178.4 | -159.4 | 176.9 | 176.5 | 167.7 | -0.1 | 113.5 | ||
| 1343 | K | 36.4 | Very low | 41.2 | Very low | 193 Ų | 193 | 160.6 Ų | 160.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 4.8 | -173.6 | -77 | -174 | 177.5 | 176.2 | 0 | 115.5 | L1341 | L1341-K1343 PolarHBondContact O-N 3.39Å; L1341-K1343 VanDerWaalsContact O-N 3.11Å |
| 1344 | A | 33 | Very low | 40.3 | Very low | 89 Ų | 89 | 159.7 Ų | 159.7 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -105.7 | 57.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1345 | M | 32.9 | Very low | 39.5 | Very low | 146 Ų | 146 | 164 Ų | 164 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -84.7 | 137.9 | 163.2 | -81.4 | -178.2 | 160.4 | 0 | 0 | 109.3 | ||||
| 1346 | L | 39.9 | Very low | 39.3 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | 67.4 | 90.8 | 155.6 | -60.6 | 156.6 | 0 | 0 | 0 | 118.2 | ||||
| 1347 | S | 39.1 | Very low | 39.5 | Very low | 131 Ų | 131 | 158.3 Ų | 158.3 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -138.6 | 154.8 | 138.7 | 74.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1348 | K | 32.8 | Very low | 39.9 | Very low | 217 Ų | 217 | 153.7 Ų | 153.7 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -128.1 | 136.8 | -158.6 | -164.2 | -172.8 | -171.7 | -172.4 | 0 | 109.6 | ||||
| 1349 | G | 34.3 | Very low | 40.4 | Very low | 81 Ų | 81 | 152 Ų | 152 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 141 | 147.5 | 165 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1350 | G | 39 | Very low | 40.5 | Very low | 83 Ų | 83 | 149.9 Ų | 149.9 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 114.8 | 76.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1351 | A | 37.2 | Very low | 40.9 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -148.2 | 6.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1352 | E | 41.9 | Very low | 40.9 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -108 | -16.7 | -176.5 | -83.8 | -177.6 | 130.1 | 0 | 0 | 115.6 | T1354 | E1352-T1354 PolarHBondContact O-N 3.39Š|
| 1353 | D | 44.1 | Very low | 40.9 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -80.9 | -15.7 | -173.4 | -69.4 | -45.8 | 0 | 0 | 0 | 115 | ||
| 1354 | T | 43.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -78.6 | -21.5 | -172.4 | -35.1 | 0 | 0 | 0 | 0 | 113.7 | E1352 K1356 H1357 | E1352-T1354 PolarHBondContact O-N 3.39Å; T1354-K1356 PolarHBondContact O-N 2.89Å; T1354-H1357 PolarHBondContact O-N 2.85Å |
| 1355 | Y | 41.8 | Very low | 41.4 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -65.7 | -8.8 | -177.6 | -148.1 | -91.1 | 0 | 0 | 0 | 113.8 | ||
| 1356 | K | 43.1 | Very low | 41.5 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -96.8 | -6.8 | -178.7 | -78.8 | -179.1 | 175.5 | 172.2 | 0 | 115.6 | T1354 | T1354-K1356 PolarHBondContact O-N 2.89Š|
| 1357 | H | 50.6 | Low | 41.2 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -27.4 | -176.3 | -109.4 | 11.2 | 0 | 0 | 0 | 115.5 | T1354 Q1359 T1360 | T1354-H1357 PolarHBondContact O-N 2.85Å; H1357-Q1359 VanDerWaalsContact C-N 3.3Å; H1357-Q1359 PolarHBondContact O-N 3.14Å; H1357-T1360 PolarHBondContact O-N 3.22Å; H1357-T1360 VanDerWaalsContact O-N 3.15Å; H1357-T1360 PolarHBondContact O-OG1 2.99Å |
| 1358 | E | 47.8 | Very low | 40.7 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -71.3 | -19.6 | -179.6 | -81.1 | -175.4 | 129 | 0 | 0 | 114.3 | T1360 | E1358-T1360 PolarHBondContact O-N 3.22Å |
| 1359 | Q | 47.9 | Very low | 40.5 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -65.6 | -17.5 | 171.3 | -79.8 | -169.3 | -15.4 | 0 | 0 | 113.3 | H1357 | H1357-Q1359 VanDerWaalsContact C-N 3.3Å; H1357-Q1359 PolarHBondContact O-N 3.14Å |
| 1360 | T | 46.8 | Very low | 40.1 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 54% | 0.54 | 78% | 0.778 | S | S | . | * | H | α-helix | trans | -90.8 | -24.5 | -176.2 | 4.4 | 0 | 0 | 0 | 0 | 114.5 | H1357 E1358 | H1357-T1360 PolarHBondContact O-N 3.22Å; H1357-T1360 VanDerWaalsContact O-N 3.15Å; H1357-T1360 PolarHBondContact O-OG1 2.99Å; E1358-T1360 PolarHBondContact O-N 3.22Å |
| 1361 | E | 46.9 | Very low | 39.7 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -91.4 | -12.6 | -175.2 | -70.5 | -166.7 | 132 | 0 | 0 | 114.5 | L1363 L1364 | E1361-L1363 PolarHBondContact O-N 2.97Å; E1361-L1363 VanDerWaalsContact O-N 3.09Å; E1361-L1364 PolarHBondContact O-N 2.83Å |
| 1362 | L | 40.1 | Very low | 39.3 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -10 | 171.5 | -92.8 | 163.7 | 0 | 0 | 0 | 114.2 | ||
| 1363 | L | 40.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 1.7 | -176.2 | -93.9 | 161 | 0 | 0 | 0 | 114.8 | E1361 | E1361-L1363 PolarHBondContact O-N 2.97Å; E1361-L1363 VanDerWaalsContact O-N 3.09Å |
| 1364 | L | 42.4 | Very low | 38 | Very low | 140 Ų | 140 | 152 Ų | 152 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -136 | 46.6 | -169.5 | -118.8 | 148 | 0 | 0 | 0 | 113.8 | E1361 | E1361-L1364 PolarHBondContact O-N 2.83Š|
| 1365 | N | 36.3 | Very low | 37.2 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -170.3 | 64 | 152.1 | -96.3 | -38.8 | 0 | 0 | 0 | 114.5 | Q1367 | N1365-Q1367 VanDerWaalsContact C-N 3.33Š| ||
| 1366 | D | 36 | Very low | 36.6 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -100.4 | 20.8 | 149.8 | -164.4 | 27.1 | 0 | 0 | 0 | 111.6 | ||
| 1367 | Q | 32.9 | Very low | 36.1 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -136.6 | 85 | 168.3 | -67.2 | -163.6 | 9.8 | 0 | 0 | 110 | N1365 | N1365-Q1367 VanDerWaalsContact C-N 3.33Š| ||
| 1368 | N | 29.7 | Very low | 35.3 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | -168.1 | 121 | 115.7 | -94.6 | -45.6 | 0 | 0 | 0 | 113.1 | |||||
| 1369 | K | 27.4 | Very low | 34.7 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -70.3 | 144.2 | 164.4 | -74.3 | 172.1 | 173 | 169.3 | 0 | 110.4 | ||||
| 1370 | S | 26.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 56.5 | 116.3 | 142 | 62.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1371 | K | 31.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -163.8 | 159.3 | 131 | -107.1 | 165.3 | -174.1 | 178 | 0 | 111 | ||||
| 1372 | Q | 27 | Very low | 32.2 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 4.6 | 147.8 | 156.6 | -63 | 144.4 | -31 | 0 | 0 | 118.4 | ||||
| 1373 | G | 27.8 | Very low | 32.4 | Very low | 67 Ų | 67 | 146.7 Ų | 146.7 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | cis | 129.5 | 163.4 | 21.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1374 | V | 32 | Very low | 32.6 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | 82.6 | 142.3 | 167.3 | -169.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1375 | T | 27.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -73.2 | -173.3 | -174.7 | -16.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1376 | I | 29.5 | Very low | 32.3 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 68% | 0.677 | 74% | 0.741 | S | S | * | * | trans | 101.7 | 122.2 | 137.5 | -89.4 | 161.8 | 0 | 0 | 0 | 120.2 | ||||
| 1377 | E | 30.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | 71.9 | 134.7 | 137.7 | -75.6 | -178 | -161.9 | 0 | 0 | 127.1 | ||||
| 1378 | N | 34.2 | Very low | 32.1 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | 69.4 | 159 | 126.9 | -65.7 | -24.9 | 0 | 0 | 0 | 122.9 | |||||
| 1379 | N | 36.4 | Very low | 32 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 73.9 | 151 | 156.9 | -58.1 | -33 | 0 | 0 | 0 | 116.8 | ||||
| 1380 | N | 29.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | cis | -166.7 | 160.7 | -26 | -111.9 | -24.5 | 0 | 0 | 0 | 108.9 | ||||
| 1381 | Y | 26 | Very low | 31.8 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 86% | 0.863 | 72% | 0.72 | S | S | * | * | trans | 75 | 131.6 | 155.1 | -91 | -117.9 | 0 | 0 | 0 | 122.4 | ||||
| 1382 | H | 32.3 | Very low | 31.7 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -74.3 | 179.5 | 164.4 | -75.8 | -86.9 | 0 | 0 | 0 | 112.9 | ||||
| 1383 | P | 45.7 | Very low | 31.9 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | cis | -138 | -149.6 | -44.2 | 43.3 | -25.1 | 0 | 0 | 0 | 109.7 | ||||
| 1384 | P | 43.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | cis | -128.2 | 174.3 | -23 | 38.1 | -20.7 | 0 | 0 | 0 | 115.9 | ||||
| 1385 | D | 36.6 | Very low | 31.7 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 58% | 0.583 | 71% | 0.713 | S | S | * | * | trans | -7.1 | 139 | 158.5 | -37.1 | -25.3 | 0 | 0 | 0 | 118.3 | R1336 | R1336-D1385 IonicContact NH2-OD2 2.93Š| ||
| 1386 | G | 35.6 | Very low | 31.6 | Very low | 51 Ų | 51 | 134.2 Ų | 134.2 | 53% | 0.526 | 72% | 0.722 | S | S | . | * | cis | 119.2 | 139.7 | 21.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1387 | Y | 31.2 | Very low | 31.5 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | cis | -149.8 | 139 | 7.9 | -58.3 | -84.6 | 0 | 0 | 0 | 108.2 | ||||
| 1388 | T | 33.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | cis | 60.7 | 133.2 | -5.1 | 54.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1389 | T | 27.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | -155.8 | 157.9 | 4.3 | -0.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1390 | N | 25 | Very low | 30.2 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 74.6 | 132.9 | 146.5 | -67.6 | 9.1 | 0 | 0 | 0 | 119.2 | ||||
| 1391 | V | 25.1 | Very low | 30.1 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 55.5 | 100.5 | 14.5 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1392 | T | 29.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | -165 | 177.7 | 17.6 | 4.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1393 | P | 30.9 | Very low | 29.9 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -91.9 | 159.1 | -168.3 | 37 | -36.5 | 0 | 0 | 0 | 114.7 | ||||
| 1394 | S | 27.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -165.8 | 150 | 130.7 | 73 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1395 | N | 27.2 | Very low | 28.3 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 49 | 112.7 | 145.4 | -65.7 | -21.2 | 0 | 0 | 0 | 122.1 | ||||
| 1396 | K | 25.8 | Very low | 27.8 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -146.8 | 109.2 | 130.6 | -116.2 | 165.7 | -168.5 | 170.3 | 0 | 113.6 | ||||
| 1397 | N | 26.2 | Very low | 27.4 | Very low | 139 Ų | 139 | 161.8 Ų | 161.8 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -23.4 | 134 | 161.7 | -59.4 | -36.4 | 0 | 0 | 0 | 116.5 | ||||
| 1398 | K | 25.4 | Very low | 27.1 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 176.3 | 146 | 107.2 | -97.2 | 161.1 | -176.5 | 172.4 | 0 | 114.5 | |||||
| 1399 | K | 23.8 | Very low | 26.8 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | 66.8 | 106 | 149.3 | -71 | -180 | 175.9 | -173.4 | 0 | 119.6 | K1401 | K1399-K1401 PolarHBondContact O-N 2.99Š| ||
| 1400 | L | 25.5 | Very low | 26.9 | Very low | 162 Ų | 162 | 161.6 Ų | 161.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | 54.1 | 69.9 | 111.2 | -92.1 | 152.3 | 0 | 0 | 0 | 117.3 | |||||
| 1401 | K | 28.2 | Very low | 27 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -137.1 | 95.8 | 143.7 | -72.2 | -165.3 | 178.3 | 177.7 | 0 | 111.3 | K1399 | K1399-K1401 PolarHBondContact O-N 2.99Š| ||
| 1402 | K | 27 | Very low | 27.2 | Very low | 198 Ų | 198 | 162.9 Ų | 162.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 155.6 | 150.4 | -67.4 | 178.8 | 176.1 | -179.6 | 0 | 108 | ||||
| 1403 | K | 25.9 | Very low | 27.3 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 95.4 | 123.6 | -172.6 | -60 | 172.5 | -177.4 | -172.1 | 0 | 111.9 | ||||
| 1404 | H | 29.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 160.1 Ų | 160.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | -144.5 | 160.8 | 13.1 | -105.6 | -67.1 | 0 | 0 | 0 | 113.5 | ||||
| 1405 | K | 27.4 | Very low | 27.7 | Very low | 172 Ų | 172 | 161.4 Ų | 161.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 50.4 | 109 | 151.7 | -72.1 | -178.6 | 171.6 | -176.9 | 0 | 117.5 | ||||
| 1406 | R | 24.9 | Very low | 27.8 | Very low | 238 Ų | 238 | 162.7 Ų | 162.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -44.5 | 143.5 | 144.6 | -75.8 | 175.1 | 167.5 | 163.1 | -6.1 | 109.3 | L1408 | R1406-L1408 PolarHBondContact O-N 2.98Š| ||
| 1407 | E | 26.9 | Very low | 27.9 | Very low | 187 Ų | 187 | 158 Ų | 158 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -53 | 122.1 | 165.5 | -70 | 169.4 | 131.6 | 0 | 0 | 108.5 | N1409 | E1407-N1409 VanDerWaalsContact C-N 3.31Å; E1407-N1409 PolarHBondContact O-N 3.43Å | ||
| 1408 | L | 26 | Very low | 28.2 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 67% | 0.665 | 79% | 0.786 | S | S | * | * | trans | -71.6 | 97.7 | 167.6 | -92.1 | 80.8 | 0 | 0 | 0 | 106.5 | R1406 I1410 | R1406-L1408 PolarHBondContact O-N 2.98Å; L1408-I1410 HydrophobicContact CB-CG1 4.06Å; L1408-I1410 PolarHBondContact O-N 3.24Å | ||
| 1409 | N | 27.5 | Very low | 28.1 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -58.8 | 99.5 | 143.6 | -76.4 | -11.9 | 0 | 0 | 0 | 106 | E1407 L1411 | E1407-N1409 VanDerWaalsContact C-N 3.31Å; E1407-N1409 PolarHBondContact O-N 3.43Å; N1409-L1411 PolarHBondContact O-N 3.08Å | ||
| 1410 | I | 28.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -72.1 | 79.2 | 170.1 | -57.7 | 176 | 0 | 0 | 0 | 106 | L1408 H1412 | L1408-I1410 HydrophobicContact CB-CG1 4.06Å; L1408-I1410 PolarHBondContact O-N 3.24Å; I1410-H1412 PolarHBondContact O-N 2.98Å | ||
| 1411 | L | 27.4 | Very low | 28.1 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 124.2 | 157.3 | -82.9 | 156.5 | 0 | 0 | 0 | 106.5 | N1409 | N1409-L1411 PolarHBondContact O-N 3.08Š| ||
| 1412 | H | 30.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -62 | 141.2 | 175.9 | -160.7 | -88.4 | 0 | 0 | 0 | 108.7 | I1410 G1414 | I1410-H1412 PolarHBondContact O-N 2.98Å; H1412-G1414 VanDerWaalsContact C-N 3.32Å; H1412-G1414 PolarHBondContact O-N 2.81Å | ||
| 1413 | P | 32 | Very low | 27.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 85.5 | -175.3 | 28.4 | -35.6 | 0 | 0 | 0 | 111.8 | ||
| 1414 | G | 32 | Very low | 27.5 | Very low | 61 Ų | 61 | 140.9 Ų | 140.9 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | -22.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1412 | H1412-G1414 VanDerWaalsContact C-N 3.32Å; H1412-G1414 PolarHBondContact O-N 2.81Å |
| 1415 | D | 33.9 | Very low | 27.1 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -101.9 | 25.3 | -161.8 | -63.2 | -22 | 0 | 0 | 0 | 115.6 | ||
| 1416 | L | 30.4 | Very low | 26.8 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -140.1 | 72.6 | 176.1 | -73.6 | 177.6 | 0 | 0 | 0 | 113 | ||||
| 1417 | S | 27.7 | Very low | 26.7 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -95.2 | 116.5 | 164.8 | 57.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1418 | P | 31.3 | Very low | 26.5 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -90.1 | 113.2 | 164.6 | 31.4 | -25.3 | 0 | 0 | 0 | 110.1 | ||||
| 1419 | S | 24.2 | Very low | 26.5 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 143.8 | 170 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1420 | G | 27.1 | Very low | 26.3 | Very low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -166.9 | 84.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1421 | T | 22.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -90.7 | 145.7 | -178.7 | 40.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1422 | L | 23.2 | Very low | 26.1 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 170.2 | 113 | 151.7 | -94.2 | 147.4 | 0 | 0 | 0 | 106.9 | ||||
| 1423 | I | 21.7 | Very low | 26.1 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | cis | 81.5 | 106.3 | 45.1 | -54.7 | 174.4 | 0 | 0 | 0 | 114.6 | ||||
| 1424 | N | 23.9 | Very low | 25.8 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 157.9 | 107.5 | 146.2 | -84.7 | -9.5 | 0 | 0 | 0 | 108.7 | ||||
| 1425 | T | 20.8 | Very low | 25.5 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 87.6 | 134.3 | 64 | 56.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1426 | C | 20.7 | Very low | 25.2 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | 83.3 | 138.8 | 172.1 | -59.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1427 | Q | 23.2 | Very low | 25 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | cis | -164.8 | 156.5 | -12.7 | -132.7 | 170.8 | -36.5 | 0 | 0 | 110.6 | ||||
| 1428 | D | 23.2 | Very low | 25.1 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | -70.1 | 152.2 | -178.8 | -39.8 | -91.4 | 0 | 0 | 0 | 114.6 | ||||
| 1429 | Q | 24.9 | Very low | 24.7 | Very low | 198 Ų | 198 | 155.6 Ų | 155.6 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -160.4 | 119.1 | 139.3 | -118.1 | 167.4 | 29.7 | 0 | 0 | 113 | ||||
| 1430 | D | 23.9 | Very low | 24.8 | Very low | 152 Ų | 152 | 156.1 Ų | 156.1 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -69.1 | 144.8 | 171.5 | -55.1 | -73.3 | 0 | 0 | 0 | 112 | ||||
| 1431 | Q | 26.6 | Very low | 24.9 | Very low | 186 Ų | 186 | 161.3 Ų | 161.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -153.6 | 112.2 | 152.4 | -120.3 | 167.2 | 31.3 | 0 | 0 | 111.8 | ||||
| 1432 | D | 24.1 | Very low | 25.1 | Very low | 154 Ų | 154 | 162.5 Ų | 162.5 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -60.4 | 132.4 | 169 | -64.2 | -65.8 | 0 | 0 | 0 | 110.7 | ||||
| 1433 | H | 30.9 | Very low | 25.4 | Very low | 181 Ų | 181 | 162 Ų | 162 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -145.2 | 146.2 | 150.4 | -102.6 | -63 | 0 | 0 | 0 | 111.9 | ||||
| 1434 | Q | 26.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 162 Ų | 162 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -82.7 | 154.6 | -158.2 | -66.7 | 163.9 | -54.3 | 0 | 0 | 113.8 | ||||
| 1435 | D | 24.9 | Very low | 25.7 | Very low | 164 Ų | 164 | 161.9 Ų | 161.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -53.7 | 133.6 | 169.4 | -52 | -80.9 | 0 | 0 | 0 | 112.3 | ||||
| 1436 | Q | 27.9 | Very low | 26 | Very low | 191 Ų | 191 | 161.9 Ų | 161.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -148.8 | 140 | 151.2 | -123.5 | 171.2 | 20.9 | 0 | 0 | 112 | ||||
| 1437 | D | 25.7 | Very low | 26.2 | Very low | 140 Ų | 140 | 163.6 Ų | 163.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -47.7 | 145.1 | -177.7 | -54.9 | -85.2 | 0 | 0 | 0 | 114.4 | ||||
| 1438 | H | 29.8 | Very low | 26.3 | Very low | 192 Ų | 192 | 161.6 Ų | 161.6 | 89% | 0.889 | 78% | 0.781 | S | S | * | * | -167.6 | 145 | 105.9 | -104.1 | -73.9 | 0 | 0 | 0 | 112.7 | |||||
| 1439 | R | 24.3 | Very low | 26.6 | Very low | 214 Ų | 214 | 162.8 Ų | 162.8 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -98.9 | 157.5 | 176.4 | -74.1 | -171.8 | -175.4 | 175.9 | 1.4 | 112.2 | ||||
| 1440 | D | 26 | Very low | 26.7 | Very low | 135 Ų | 135 | 161.1 Ų | 161.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 55.8 | 110.2 | 150.1 | -48.7 | -25 | 0 | 0 | 0 | 118.7 | ||||
| 1441 | Q | 28.5 | Very low | 27 | Very low | 189 Ų | 189 | 162.8 Ų | 162.8 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | -164.5 | 128.6 | 125.4 | -109.1 | 160.9 | 33.6 | 0 | 0 | 113.2 | |||||
| 1442 | D | 25.8 | Very low | 27 | Very low | 149 Ų | 149 | 160.9 Ų | 160.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -65.1 | 151.9 | 170.7 | -52.2 | -83.1 | 0 | 0 | 0 | 112.1 | ||||
| 1443 | H | 29.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 157 Ų | 157 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -163.9 | 127.9 | 147.1 | -98.1 | -54.8 | 0 | 0 | 0 | 114.6 | ||||
| 1444 | H | 27.2 | Very low | 27 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 61% | 0.606 | 77% | 0.769 | S | S | * | * | trans | 76.1 | 129.5 | 135.3 | -77.9 | -51.2 | 0 | 0 | 0 | 124.1 | ||||
| 1445 | H | 26.1 | Very low | 27.1 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | trans | 69.2 | 145.2 | 134.4 | -67.6 | -50.1 | 0 | 0 | 0 | 118.1 | ||||
| 1446 | D | 25.9 | Very low | 27.1 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | cis | -161.1 | 167.1 | -0.3 | -114.2 | -21.3 | 0 | 0 | 0 | 110.9 | ||||
| 1447 | E | 24.9 | Very low | 27.1 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 35.7 | 144.2 | 137.5 | -59.3 | -159.2 | 124.9 | 0 | 0 | 121.4 | ||||
| 1448 | Q | 25.6 | Very low | 27.1 | Very low | 135 Ų | 135 | 155.6 Ų | 155.6 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | cis | -177 | -179.8 | 19.4 | -127.9 | 175.1 | 40.1 | 0 | 0 | 111 | ||||
| 1449 | Q | 30.6 | Very low | 26.9 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 92.6 | 82.1 | 156.6 | -74.7 | 166.9 | 46.6 | 0 | 0 | 120.5 | ||||
| 1450 | N | 26.2 | Very low | 27 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -66 | 151.2 | 148.2 | -78.6 | -35.2 | 0 | 0 | 0 | 112.4 | ||||
| 1451 | K | 29.4 | Very low | 27 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -152.1 | 127 | 151.3 | -104.6 | -171.2 | 179.5 | 175.1 | 0 | 114.2 | ||||
| 1452 | D | 28.7 | Very low | 27 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 51.4 | 112.2 | 140.5 | -52 | -29.8 | 0 | 0 | 0 | 121.9 | ||||
| 1453 | G | 28.6 | Very low | 26.9 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | 124 | 114.9 | 108.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1454 | S | 26.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 61 | 150.3 | 151 | -108.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1455 | E | 27.3 | Very low | 26.7 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | cis | -155.4 | 156.3 | -0.1 | -150.3 | 156.6 | -165.9 | 0 | 0 | 110.2 | ||||
| 1456 | K | 24.4 | Very low | 26.6 | Very low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -82.1 | 145.9 | -178 | -66.7 | 168.9 | 175.3 | 172 | 0 | 112.3 | ||||
| 1457 | Q | 28.1 | Very low | 26.8 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -154.6 | 142.3 | 138.1 | -114.6 | 160.5 | 41.7 | 0 | 0 | 113.2 | ||||
| 1458 | N | 27.1 | Very low | 26.9 | Very low | 151 Ų | 151 | 153.9 Ų | 153.9 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | trans | -84.4 | 141.2 | -162.2 | -70.1 | -30 | 0 | 0 | 0 | 113.6 | ||||
| 1459 | L | 24.9 | Very low | 27 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -82.4 | 127.7 | 163.5 | -137.6 | 77 | 0 | 0 | 0 | 109.1 | ||||
| 1460 | I | 27.5 | Very low | 26.8 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 80% | 0.8 | 85% | 0.847 | S | S | * | * | trans | -122.6 | 135.8 | 161 | -68.7 | -178.3 | 0 | 0 | 0 | 108.2 | ||||
| 1461 | T | 25.3 | Very low | 26.8 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 76% | 0.755 | 85% | 0.846 | S | S | * | * | trans | -66.7 | 145.5 | 179.3 | 50 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1462 | D | 27.5 | Very low | 26.6 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 90% | 0.898 | 85% | 0.848 | S | S | * | * | trans | -140.2 | 132.6 | 144.7 | -114 | -30.7 | 0 | 0 | 0 | 111 | ||||
| 1463 | S | 24.2 | Very low | 26.5 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 85% | 0.853 | S | S | * | * | trans | -119.2 | 119.2 | -178.7 | 56.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1464 | T | 29.6 | Very low | 26.4 | Very low | 148 Ų | 148 | 157.2 Ų | 157.2 | 91% | 0.908 | 86% | 0.859 | S | S | * | * | trans | -139 | 140.8 | 162.1 | 39.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1465 | S | 22.6 | Very low | 26.4 | Very low | 109 Ų | 109 | 160.9 Ų | 160.9 | 76% | 0.762 | 87% | 0.866 | S | S | * | * | trans | -91.9 | 174.7 | -179.4 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1466 | S | 24.3 | Very low | 26.3 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 80% | 0.804 | 87% | 0.868 | S | S | * | * | trans | 83.3 | 90.1 | 166.9 | 71.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1467 | Q | 30 | Very low | 26.5 | Very low | 276 Ų | 276 | 157 Ų | 157 | 100% | 1.29 | 87% | 0.874 | S | S | * | * | -151.5 | 0 | 108.5 | -106.6 | -179.1 | 3.5 | 0 | 0 | 110.5 |
Retrieved 1,467 of 1,467 residues in 460.6 ms
(Link to these results)