| 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 | 49.1 | Very low | 223 Ų | 223 | 119.8 Ų | 119.8 | 100% | 1.099 | 63% | 0.625 | S | S | * | * | 0 | -31.6 | 0 | -74.8 | -177.1 | -171.4 | 0 | 0 | 113.7 | N3 Y4 | M1-N3 PolarHBondContact O-N 3.28Å; M1-Y4 PolarHBondContact O-N 2.92Å | |||
| 2 | I | 49.9 | Very low | 48.6 | Very low | 136 Ų | 136 | 114 Ų | 114 | 70% | 0.697 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -64.9 | -30.2 | -174.1 | -65.1 | 169.5 | 0 | 0 | 0 | 114.2 | Y4 A5 | I2-Y4 VanDerWaalsContact C-N 3.29Å; I2-Y4 PolarHBondContact O-N 3.21Å; I2-A5 PolarHBondContact O-N 3.3Å |
| 3 | N | 47.7 | Very low | 47.8 | Very low | 140 Ų | 140 | 111.2 Ų | 111.2 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -72.4 | -12.1 | -176.8 | -70.7 | -5.6 | 0 | 0 | 0 | 115.6 | M1 | M1-N3 PolarHBondContact O-N 3.28Š|
| 4 | Y | 52.4 | Low | 46.7 | Very low | 191 Ų | 191 | 112.6 Ų | 112.6 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -98.3 | -12.4 | 176.3 | -70.2 | -77.3 | 0 | 0 | 0 | 113.6 | M1 I2 | M1-Y4 PolarHBondContact O-N 2.92Å; I2-Y4 VanDerWaalsContact C-N 3.29Å; I2-Y4 PolarHBondContact O-N 3.21Å |
| 5 | A | 50.8 | Low | 46 | Very low | 49 Ų | 49 | 110.9 Ų | 110.9 | 41% | 0.405 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76.5 | -34.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2 M8 I9 | I2-A5 PolarHBondContact O-N 3.3Å; A5-M8 PolarHBondContact O-N 3.4Å; A5-I9 WeakPolarHBondContact O-CG1 3.49Å; A5-I9 PolarHBondContact O-N 3.32Å; A5-I9 VanDerWaalsContact O-N 3.08Å |
| 6 | I | 54.2 | Low | 45.2 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.2 | -48.5 | -176.1 | -60.9 | 174.7 | 0 | 0 | 0 | 112.7 | M8 I9 A10 | I6-M8 VanDerWaalsContact C-N 3.32Å; I6-M8 PolarHBondContact O-N 3.44Å; I6-I9 PolarHBondContact O-N 3.22Å; I6-A10 PolarHBondContact O-N 2.81Å; I6-A10 VanDerWaalsContact O-N 3.09Å |
| 7 | P | 44.9 | Very low | 44.3 | Very low | 65 Ų | 65 | 114.1 Ų | 114.1 | 42% | 0.422 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -30.6 | 177.6 | 22.1 | -29.8 | 0 | 0 | 0 | 113 | A10 I11 | P7-A10 PolarHBondContact O-N 3.13Å; P7-I11 VanDerWaalsContact O-CG1 3.28Å; P7-I11 WeakPolarHBondContact O-CG1 3.46Å; P7-I11 PolarHBondContact O-N 3.11Å |
| 8 | M | 47.5 | Very low | 43.4 | Very low | 130 Ų | 130 | 111.5 Ų | 111.5 | 64% | 0.64 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.7 | -37.9 | 176.4 | -80.5 | -70 | -75.1 | 0 | 0 | 112.5 | A5 I6 I11 A12 | A5-M8 PolarHBondContact O-N 3.4Å; I6-M8 VanDerWaalsContact C-N 3.32Å; I6-M8 PolarHBondContact O-N 3.44Å; M8-I11 PolarHBondContact O-N 2.88Å; M8-A12 VanDerWaalsContact O-CB 3.32Å; M8-A12 WeakPolarHBondContact O-CB 3.29Å; M8-A12 PolarHBondContact O-N 3.01Å |
| 9 | I | 54.7 | Low | 43 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.2 | -37 | 173.7 | -66 | 168.8 | 0 | 0 | 0 | 110.6 | A5 I6 A12 T13 | A5-I9 WeakPolarHBondContact O-CG1 3.49Å; A5-I9 PolarHBondContact O-N 3.32Å; A5-I9 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 3.22Å; I9-A12 PolarHBondContact O-N 3.42Å; I9-T13 WeakPolarHBondContact O-CB 3.47Å; I9-T13 PolarHBondContact O-N 2.87Å; I9-T13 PolarHBondContact O-OG1 3.3Å |
| 10 | A | 46.2 | Very low | 42.9 | Very low | 45 Ų | 45 | 118 Ų | 118 | 37% | 0.372 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.4 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 P7 T13 L14 | I6-A10 PolarHBondContact O-N 2.81Å; I6-A10 VanDerWaalsContact O-N 3.09Å; P7-A10 PolarHBondContact O-N 3.13Å; A10-T13 WeakPolarHBondContact CA-OG1 3.31Å; A10-T13 PolarHBondContact O-OG1 3.25Å; A10-T13 VanDerWaalsContact O-OG1 3.11Å; A10-L14 WeakPolarHBondContact O-CB 3.37Å; A10-L14 WeakPolarHBondContact O-CD1 3.21Å; A10-L14 VanDerWaalsContact O-CG 3.28Å; A10-L14 WeakPolarHBondContact O-CG 3.38Å; A10-L14 PolarHBondContact O-N 3.38Å |
| 11 | I | 48.3 | Very low | 42.8 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 54% | 0.544 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72 | -38.3 | 177.3 | -66.8 | 166.7 | 0 | 0 | 0 | 111 | P7 M8 L14 S15 | P7-I11 VanDerWaalsContact O-CG1 3.28Å; P7-I11 WeakPolarHBondContact O-CG1 3.46Å; P7-I11 PolarHBondContact O-N 3.11Å; M8-I11 PolarHBondContact O-N 2.88Å; I11-L14 PolarHBondContact O-N 2.92Å; I11-S15 PolarHBondContact O-N 3.06Å; I11-S15 PolarHBondContact O-OG 3.41Å |
| 12 | A | 43.1 | Very low | 43.3 | Very low | 50 Ų | 50 | 110.5 Ų | 110.5 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M8 I9 S15 I16 | M8-A12 VanDerWaalsContact O-CB 3.32Å; M8-A12 WeakPolarHBondContact O-CB 3.29Å; M8-A12 PolarHBondContact O-N 3.01Å; I9-A12 PolarHBondContact O-N 3.42Å; A12-S15 PolarHBondContact O-OG 3.12Å; A12-I16 WeakPolarHBondContact O-CG1 3.28Å; A12-I16 PolarHBondContact O-N 3.47Å |
| 13 | T | 37.7 | Very low | 44.2 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.1 | -31.8 | 174.8 | 39.6 | 0 | 0 | 0 | 0 | 112.7 | I9 A10 H17 | I9-T13 WeakPolarHBondContact O-CB 3.47Å; I9-T13 PolarHBondContact O-N 2.87Å; I9-T13 PolarHBondContact O-OG1 3.3Å; A10-T13 WeakPolarHBondContact CA-OG1 3.31Å; A10-T13 PolarHBondContact O-OG1 3.25Å; A10-T13 VanDerWaalsContact O-OG1 3.11Å; T13-H17 PolarHBondContact O-N 3.39Å; T13-H17 PolarHBondContact O-ND1 3.13Å |
| 14 | L | 32.3 | Very low | 45.8 | Very low | 130 Ų | 130 | 108.9 Ų | 108.9 | 68% | 0.681 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.1 | -30.7 | 174.7 | -77.8 | 164.7 | 0 | 0 | 0 | 113.3 | A10 I11 H17 | A10-L14 WeakPolarHBondContact O-CB 3.37Å; A10-L14 WeakPolarHBondContact O-CD1 3.21Å; A10-L14 VanDerWaalsContact O-CG 3.28Å; A10-L14 WeakPolarHBondContact O-CG 3.38Å; A10-L14 PolarHBondContact O-N 3.38Å; I11-L14 PolarHBondContact O-N 2.92Å; L14-H17 PolarHBondContact O-N 2.69Å |
| 15 | S | 36.2 | Very low | 47.6 | Very low | 88 Ų | 88 | 102.5 Ų | 102.5 | 62% | 0.615 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.9 | -17.7 | 177.3 | 36.9 | 0 | 0 | 0 | 0 | 113.7 | I11 A12 | I11-S15 PolarHBondContact O-N 3.06Å; I11-S15 PolarHBondContact O-OG 3.41Å; A12-S15 PolarHBondContact O-OG 3.12Å |
| 16 | I | 33 | Very low | 49.5 | Very low | 134 Ų | 134 | 104.1 Ų | 104.1 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -85.4 | -21.6 | 171 | -62.6 | 170.8 | 0 | 0 | 0 | 111.8 | A12 G18 | A12-I16 WeakPolarHBondContact O-CG1 3.28Å; A12-I16 PolarHBondContact O-N 3.47Å; I16-G18 VanDerWaalsContact C-N 3.3Å; I16-G18 PolarHBondContact O-N 2.93Å |
| 17 | H | 30.1 | Very low | 51.4 | Low | 142 Ų | 142 | 98.4 Ų | 98.4 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 8.6 | 179.5 | -93.7 | 74.5 | 0 | 0 | 0 | 115.5 | T13 L14 M19 | T13-H17 PolarHBondContact O-N 3.39Å; T13-H17 PolarHBondContact O-ND1 3.13Å; L14-H17 PolarHBondContact O-N 2.69Å; H17-M19 VanDerWaalsContact C-N 3.3Å; H17-M19 PolarHBondContact O-N 3.09Å |
| 18 | G | 28.3 | Very low | 53.6 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I16 K20 | I16-G18 VanDerWaalsContact C-N 3.3Å; I16-G18 PolarHBondContact O-N 2.93Å; G18-K20 PolarHBondContact O-N 3.35Å; G18-K20 VanDerWaalsContact O-N 3.14Å |
| 19 | M | 36.4 | Very low | 55.7 | Low | 164 Ų | 164 | 89.1 Ų | 89.1 | 81% | 0.808 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -78.5 | 96.9 | 165.3 | -67.4 | -176.3 | 75.7 | 0 | 0 | 107.1 | H17 T21 | H17-M19 VanDerWaalsContact C-N 3.3Å; H17-M19 PolarHBondContact O-N 3.09Å; M19-T21 PolarHBondContact O-N 2.9Å |
| 20 | K | 40.1 | Very low | 57.1 | Low | 188 Ų | 188 | 84 Ų | 84 | 82% | 0.817 | 47% | 0.474 | S | S | * | . | trans | -42.8 | 107.5 | 167.1 | -75.5 | 177.5 | 177.8 | 174.1 | 0 | 107.9 | G18 A22 | G18-K20 PolarHBondContact O-N 3.35Å; G18-K20 VanDerWaalsContact O-N 3.14Å; K20-A22 PolarHBondContact O-N 3.48Å | ||
| 21 | T | 41.4 | Very low | 58.8 | Low | 127 Ų | 127 | 82 Ų | 82 | 78% | 0.779 | 46% | 0.457 | S | S | * | . | trans | -68 | 83.9 | 169.5 | 45.9 | 0 | 0 | 0 | 0 | 106.3 | M19 K23 | M19-T21 PolarHBondContact O-N 2.9Å; T21-K23 PolarHBondContact O-N 2.94Å | ||
| 22 | A | 53.8 | Low | 59.9 | Low | 57 Ų | 57 | 77.3 Ų | 77.3 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 126.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | K20 A24 | K20-A22 PolarHBondContact O-N 3.48Å; A22-A24 PolarHBondContact O-N 3.27Å; A22-A24 VanDerWaalsContact O-N 3.14Å |
| 23 | K | 68.7 | Low | 60.9 | Low | 183 Ų | 183 | 77.4 Ų | 77.4 | 80% | 0.796 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -46.3 | 127.4 | 173.5 | -75.8 | -177.1 | 176.1 | -177.4 | 0 | 107.9 | T21 K25 | T21-K23 PolarHBondContact O-N 2.94Å; K23-K25 VanDerWaalsContact O-CD 3.32Å; K23-K25 WeakPolarHBondContact O-CD 3.42Å; K23-K25 WeakPolarHBondContact O-CG 3.49Å; K23-K25 PolarHBondContact O-N 3.08Å |
| 24 | A | 80.6 | Confident | 62.1 | Low | 59 Ų | 59 | 73.9 Ų | 73.9 | 49% | 0.488 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 125.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A22 G53 | A22-A24 PolarHBondContact O-N 3.27Å; A22-A24 VanDerWaalsContact O-N 3.14Å; A24-G53 WeakPolarHBondContact CB-O 2.77Å |
| 25 | K | 90.4 | Very high | 64 | Low | 57 Ų | 57 | 67.9 Ų | 67.9 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 145.7 | -178.3 | -62.1 | -52.5 | -151.6 | 155.5 | 0 | 110.7 | K23 H54 N55 D138 L448 | K23-K25 VanDerWaalsContact O-CD 3.32Å; K23-K25 WeakPolarHBondContact O-CD 3.42Å; K23-K25 WeakPolarHBondContact O-CG 3.49Å; K23-K25 PolarHBondContact O-N 3.08Å; K25-H54 PolarHBondContact N-ND1 3.07Å; K25-N55 PolarHBondContact O-N 3.15Å; K25-D138 WeakPolarHBondContact CA-OD2 3.08Å; K25-D138 HydrophobicContact CB-CB 3.97Å; K25-D138 HydrophobicContact CD-CB 4.19Å; K25-D138 WeakPolarHBondContact CD-OD1 3.47Å; K25-D138 HydrophobicContact CG-CB 4.46Å; K25-D138 IonicContact NZ-OD1 3.25Å; K25-D138 PolarHBondContact NZ-OD1 3.33Å; K25-L448 HydrophobicContact CB-CD1 4.01Å; K25-L448 HydrophobicContact CB-CD2 4.36Å; K25-L448 HydrophobicContact CG-CB 4.4Å; K25-L448 HydrophobicContact CG-CD1 4.04Å; K25-L448 HydrophobicContact CG-CD2 4.19Å; K25-L448 HydrophobicContact CG-CG 4.45Å |
| 26 | H | 91.7 | Very high | 66 | Low | 83 Ų | 83 | 64.3 Ų | 64.3 | 38% | 0.384 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.6 | 176.1 | -65.3 | -79.3 | 0 | 0 | 0 | 110.1 | N55 W137 D138 L139 | H26-N55 WeakPolarHBondContact CA-O 3.36Å; H26-N55 PolarHBondContact CE1-ND2 2.61Å; H26-N55 PolarHBondContact ND1-ND2 3.1Å; H26-W137 HydrophobicContact CB-CE3 4.04Å; H26-W137 HydrophobicContact CB-CZ3 4.43Å; H26-D138 PolarHBondContact N-OD2 2.92Å; H26-D138 PolarHBondContact O-N 3.46Å; H26-L139 PolarHBondContact O-N 3.37Å |
| 27 | I | 93.3 | Very high | 68.3 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132 | -176.3 | -53.6 | 176.7 | 0 | 0 | 0 | 109.2 | F29 L49 H54 N55 V56 S57 L139 I141 I444 L448 | I27-F29 HydrophobicContact CG2-CD2 4.36Å; I27-F29 HydrophobicContact CG2-CE2 4.05Å; I27-L49 HydrophobicContact CD1-CB 4.46Å; I27-L49 HydrophobicContact CD1-CD1 4.07Å; I27-L49 HydrophobicContact CD1-CD2 4.13Å; I27-L49 HydrophobicContact CD1-CG 4.47Å; I27-H54 HydrophobicContact CD1-CB 3.82Å; I27-H54 HydrophobicContact CG1-CB 4.43Å; I27-N55 PolarHBondContact N-O 3.18Å; I27-V56 WeakPolarHBondContact O-CA 3.45Å; I27-S57 PolarHBondContact O-N 3.14Å; I27-L139 WeakPolarHBondContact CA-O 3.44Å; I27-L139 HydrophobicContact CG1-CB 4.47Å; I27-L139 HydrophobicContact CG2-CD2 4.48Å; I27-I141 HydrophobicContact CG2-CD1 3.66Å; I27-I141 HydrophobicContact CG2-CG1 4.07Å; I27-I444 HydrophobicContact CD1-CG2 4.33Å; I27-L448 HydrophobicContact CD1-CD1 3.97Å |
| 28 | L | 91.2 | Very high | 70.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.9 | 177.7 | -177.2 | 67.8 | 0 | 0 | 0 | 111.8 | M30 S57 V59 I76 L132 W137 L139 L140 I141 | L28-M30 HydrophobicContact CD2-CE 4.22Å; L28-M30 HydrophobicContact CD2-CG 3.86Å; L28-M30 HydrophobicContact CD2-SD 3.87Å; L28-M30 HydrophobicContact CG-CG 3.89Å; L28-M30 HydrophobicContact CG-SD 4.49Å; L28-S57 WeakPolarHBondContact CA-O 3.26Å; L28-V59 HydrophobicContact CD1-CG2 3.87Å; L28-V59 HydrophobicContact CD2-CG2 4.4Å; L28-V59 HydrophobicContact CG-CG2 4.37Å; L28-I76 HydrophobicContact CD1-CD1 4.08Å; L28-L132 HydrophobicContact CD2-CD1 3.43Å; L28-L132 VanDerWaalsContact CD2-CD1 3.43Å; L28-L132 HydrophobicContact CD2-CD2 4.43Å; L28-L132 HydrophobicContact CD2-CG 4.17Å; L28-W137 HydrophobicContact CB-CD2 3.8Å; L28-W137 HydrophobicContact CB-CE3 3.58Å; L28-W137 HydrophobicContact CB-CG 4.48Å; L28-W137 HydrophobicContact CB-CH2 4.07Å; L28-W137 HydrophobicContact CB-CZ2 4.28Å; L28-W137 HydrophobicContact CB-CZ3 3.72Å; L28-W137 HydrophobicContact CD1-CH2 3.74Å; L28-W137 HydrophobicContact CD1-CZ2 3.99Å; L28-W137 HydrophobicContact CD1-CZ3 4.17Å; L28-W137 HydrophobicContact CD2-CD2 4.37Å; L28-W137 HydrophobicContact CD2-CZ2 4.05Å; L28-W137 HydrophobicContact CG-CH2 4.32Å; L28-W137 HydrophobicContact CG-CZ2 4.33Å; L28-W137 HydrophobicContact CG-CZ3 4.45Å; L28-L139 PolarHBondContact N-O 2.87Å; L28-L139 VanDerWaalsContact N-O 3.08Å; L28-L140 HydrophobicContact CB-CD2 3.97Å; L28-L140 HydrophobicContact CD2-CD2 4.07Å; L28-I141 PolarHBondContact O-N 3.12Å |
| 29 | F | 91.5 | Very high | 73.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.8 | 168.8 | -76.2 | -99.1 | 0 | 0 | 0 | 111.3 | I27 M42 L45 A46 L49 V56 S57 L58 V59 I141 Y159 | I27-F29 HydrophobicContact CG2-CD2 4.36Å; I27-F29 HydrophobicContact CG2-CE2 4.05Å; F29-M42 HydrophobicContact CB-SD 4.31Å; F29-M42 HydrophobicContact CD1-CB 3.91Å; F29-M42 HydrophobicContact CD1-CG 4.19Å; F29-M42 HydrophobicContact CD1-SD 3.8Å; F29-M42 HydrophobicContact CE1-CB 4.33Å; F29-L45 HydrophobicContact CE1-CD2 4.18Å; F29-L45 HydrophobicContact CE1-CG 4.42Å; F29-L45 HydrophobicContact CZ-CB 4.46Å; F29-L45 HydrophobicContact CZ-CD2 4.27Å; F29-L45 HydrophobicContact CZ-CG 4.14Å; F29-A46 HydrophobicContact CD2-CB 4.01Å; F29-A46 HydrophobicContact CE2-CB 3.75Å; F29-A46 HydrophobicContact CZ-CB 4.02Å; F29-L49 HydrophobicContact CE2-CD1 3.81Å; F29-L49 HydrophobicContact CZ-CD1 3.68Å; F29-V56 HydrophobicContact CD2-CG1 3.59Å; F29-V56 HydrophobicContact CE2-CG1 3.64Å; F29-S57 PolarHBondContact N-O 2.92Å; F29-L58 HydrophobicContact CB-CB 4.17Å; F29-L58 HydrophobicContact CB-CD1 3.9Å; F29-L58 HydrophobicContact CB-CG 3.8Å; F29-L58 HydrophobicContact CG-CD1 4.45Å; F29-V59 PolarHBondContact O-N 3.11Å; F29-I141 HydrophobicContact CD1-CB 3.97Å; F29-I141 HydrophobicContact CD1-CD1 4.44Å; F29-I141 HydrophobicContact CD1-CG2 3.88Å; F29-I141 HydrophobicContact CD2-CD1 4.49Å; F29-I141 HydrophobicContact CE1-CB 4.13Å; F29-I141 HydrophobicContact CE1-CD1 3.85Å; F29-I141 HydrophobicContact CE1-CG2 3.82Å; F29-I141 HydrophobicContact CE2-CD1 3.89Å; F29-I141 HydrophobicContact CG-CB 4.32Å; F29-I141 HydrophobicContact CZ-CD1 3.54Å; F29-Y159 HydrophobicContact CE1-CD2 4.25Å; F29-Y159 HydrophobicContact CE1-CE2 4.45Å |
| 30 | M | 85.5 | Confident | 75.8 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 80.4 | -180 | -47.3 | 178 | 83.5 | 0 | 0 | 110.1 | L28 V59 L132 I141 P142 S143 Y147 | L28-M30 HydrophobicContact CD2-CE 4.22Å; L28-M30 HydrophobicContact CD2-CG 3.86Å; L28-M30 HydrophobicContact CD2-SD 3.87Å; L28-M30 HydrophobicContact CG-CG 3.89Å; L28-M30 HydrophobicContact CG-SD 4.49Å; M30-V59 HydrophobicContact CE-CG2 4.47Å; M30-V59 HydrophobicContact CG-CG2 4.23Å; M30-L132 HydrophobicContact CE-CD2 3.74Å; M30-I141 PolarHBondContact N-O 3.27Å; M30-P142 HydrophobicContact CB-CB 4.28Å; M30-P142 WeakPolarHBondContact O-CA 3.22Å; M30-S143 PolarHBondContact O-N 3.38Å; M30-Y147 HydrophobicContact CB-CD2 4.08Å; M30-Y147 HydrophobicContact CB-CG 4.11Å; M30-Y147 HydrophobicContact CE-CG 4.27Å |
| 31 | P | 81.4 | Confident | 78 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | trans | -63.9 | 139.5 | -178.2 | 23.8 | -31.7 | 0 | 0 | 0 | 112.5 | H38 V39 M42 L58 V59 Y147 | P31-H38 HydrophobicContact CB-CB 4.21Å; P31-V39 HydrophobicContact CB-CG2 4.33Å; P31-V39 HydrophobicContact CG-CG2 3.78Å; P31-M42 HydrophobicContact CB-CE 4.49Å; P31-M42 HydrophobicContact CB-SD 3.72Å; P31-M42 HydrophobicContact CG-SD 4.39Å; P31-L58 HydrophobicContact CG-CD2 4.24Å; P31-V59 WeakPolarHBondContact CD-O 3.39Å; P31-V59 WeakPolarHBondContact CG-O 3.43Å; P31-Y147 WeakPolarHBondContact O-CE2 3.43Å; P31-Y147 PolarHBondContact O-OH 2.76Å | ||
| 32 | A | 71.5 | Confident | 80.3 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -60 | 137.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H38 S143 | A32-H38 WeakPolarHBondContact O-CB 3.45Å; A32-H38 VanDerWaalsContact O-CG 3.24Å; A32-H38 PolarHBondContact O-ND1 3.23Å; A32-S143 WeakPolarHBondContact CB-O 3.3Å; A32-S143 WeakPolarHBondContact CB-OG 3.47Å |
| 33 | M | 63.1 | Low | 82 | Confident | 51 Ų | 51 | 30.5 Ų | 30.5 | 25% | 0.251 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 61.9 | 166.9 | 173.4 | -50.4 | -174.2 | -79.9 | 0 | 0 | 113.2 | A35 H38 L85 I112 Y147 | M33-A35 PolarHBondContact O-N 3.42Å; M33-H38 WeakPolarHBondContact CE-CE1 3.44Å; M33-H38 VanDerWaalsContact CE-NE2 3.27Å; M33-H38 WeakPolarHBondContact CE-NE2 3.44Å; M33-L85 HydrophobicContact CB-CD2 3.99Å; M33-I112 HydrophobicContact CG-CG2 3.99Å; M33-I112 HydrophobicContact SD-CD1 3.94Å; M33-I112 HydrophobicContact SD-CG2 4.45Å; M33-Y147 PolarHBondContact N-OH 2.66Å |
| 34 | A | 64.6 | Low | 83.1 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -85.4 | 16.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P36 F61 M80 | A34-P36 WeakPolarHBondContact O-CD 3.31Å; A34-F61 HydrophobicContact CB-CB 3.56Å; A34-M80 HydrophobicContact CB-CE 4.14Å; A34-M80 HydrophobicContact CB-CG 3.88Å; A34-M80 HydrophobicContact CB-SD 3.01Å; A34-M80 WeakPolarHBondContact CB-SD 3.29Å |
| 35 | A | 71.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.033 | 11% | 0.112 | C | C | . | . | trans | -77.4 | 124.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M33 S37 H38 L85 | M33-A35 PolarHBondContact O-N 3.42Å; A35-S37 PolarHBondContact O-N 3.26Å; A35-H38 WeakPolarHBondContact O-CB 3.26Å; A35-H38 PolarHBondContact O-N 3.03Å; A35-L85 HydrophobicContact CB-CD1 3.73Å | ||
| 36 | P | 78.8 | Confident | 83.8 | Confident | 13 Ų | 13 | 18.8 Ų | 18.8 | 8% | 0.084 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.2 | -29.1 | 175.1 | -30.7 | 38.7 | 0 | 0 | 0 | 113.1 | A34 H38 K40 E66 I68 | A34-P36 WeakPolarHBondContact O-CD 3.31Å; P36-H38 VanDerWaalsContact C-N 3.28Å; P36-H38 PolarHBondContact O-N 2.98Å; P36-K40 WeakPolarHBondContact O-CB 3.41Å; P36-K40 VanDerWaalsContact O-CG 3.25Å; P36-K40 WeakPolarHBondContact O-CG 3.23Å; P36-K40 PolarHBondContact O-N 2.9Å; P36-E66 HydrophobicContact CG-CB 3.73Å; P36-E66 HydrophobicContact CG-CG 4.15Å; P36-I68 HydrophobicContact CB-CD1 3.85Å; P36-I68 HydrophobicContact CB-CG1 4.5Å; P36-I68 WeakPolarHBondContact O-CD1 3.34Å |
| 37 | S | 79.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 19.1 Ų | 19.1 | 15% | 0.154 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -32.1 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | A35 S41 K358 | A35-S37 PolarHBondContact O-N 3.26Å; S37-S41 PolarHBondContact O-N 3.02Å; S37-S41 PolarHBondContact O-OG 3.4Å; S37-K358 PolarHBondContact O-NZ 3.38Å |
| 38 | H | 81.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 21 Ų | 21 | 8% | 0.083 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -76.4 | -44.4 | -179.7 | -79.1 | -128.2 | 0 | 0 | 0 | 111.9 | P31 A32 M33 A35 P36 K40 S41 M42 T161 T162 | P31-H38 HydrophobicContact CB-CB 4.21Å; A32-H38 WeakPolarHBondContact O-CB 3.45Å; A32-H38 VanDerWaalsContact O-CG 3.24Å; A32-H38 PolarHBondContact O-ND1 3.23Å; M33-H38 WeakPolarHBondContact CE-CE1 3.44Å; M33-H38 VanDerWaalsContact CE-NE2 3.27Å; M33-H38 WeakPolarHBondContact CE-NE2 3.44Å; A35-H38 WeakPolarHBondContact O-CB 3.26Å; A35-H38 PolarHBondContact O-N 3.03Å; P36-H38 VanDerWaalsContact C-N 3.28Å; P36-H38 PolarHBondContact O-N 2.98Å; H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.09Å; H38-S41 PolarHBondContact O-N 2.97Å; H38-M42 PolarHBondContact O-N 3.1Å; H38-T161 PolarHBondContact CE1-OG1 3.25Å; H38-T161 PolarHBondContact ND1-OG1 3.32Å; H38-T162 VanDerWaalsContact CE1-CG2 3.41Å; H38-T162 WeakPolarHBondContact CE1-CG2 3.14Å |
| 39 | V | 86.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.4 | -52.4 | 170.6 | 175.1 | 0 | 0 | 0 | 0 | 109.3 | P31 S41 M42 L43 L58 Q60 I68 F75 | P31-V39 HydrophobicContact CB-CG2 4.33Å; P31-V39 HydrophobicContact CG-CG2 3.78Å; V39-S41 PolarHBondContact O-N 3.16Å; V39-S41 VanDerWaalsContact O-N 3.15Å; V39-M42 PolarHBondContact O-N 3.29Å; V39-L43 HydrophobicContact CG1-CD1 4.45Å; V39-L43 HydrophobicContact CG1-CD2 4.47Å; V39-L43 HydrophobicContact CG1-CG 4.32Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.29Å; V39-L43 VanDerWaalsContact O-N 3.13Å; V39-L58 HydrophobicContact CG1-CD2 3.75Å; V39-L58 HydrophobicContact CG2-CD2 4.41Å; V39-Q60 HydrophobicContact CG2-CB 4.36Å; V39-Q60 HydrophobicContact CG2-CG 4Å; V39-I68 HydrophobicContact CB-CD1 3.74Å; V39-I68 HydrophobicContact CG1-CB 4.47Å; V39-I68 HydrophobicContact CG1-CD1 3.67Å; V39-I68 HydrophobicContact CG2-CD1 4.46Å; V39-F75 HydrophobicContact CG1-CE1 3.99Å |
| 40 | K | 86.3 | Confident | 84.2 | Confident | 90 Ų | 90 | 22.8 Ų | 22.8 | 39% | 0.391 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -56.8 | -31.1 | 179.4 | -73.9 | 174.4 | -176.1 | 178.7 | 0 | 113.5 | P36 H38 P44 I68 | P36-K40 WeakPolarHBondContact O-CB 3.41Å; P36-K40 VanDerWaalsContact O-CG 3.25Å; P36-K40 WeakPolarHBondContact O-CG 3.23Å; P36-K40 PolarHBondContact O-N 2.9Å; H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.09Å; K40-P44 WeakPolarHBondContact O-CD 3.38Å; K40-I68 HydrophobicContact CD-CD1 4.48Å; K40-I68 HydrophobicContact CG-CD1 3.87Å |
| 41 | S | 85.8 | Confident | 84.6 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.7 | -29.9 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | S37 H38 V39 Y159 | S37-S41 PolarHBondContact O-N 3.02Å; S37-S41 PolarHBondContact O-OG 3.4Å; H38-S41 PolarHBondContact O-N 2.97Å; V39-S41 PolarHBondContact O-N 3.16Å; V39-S41 VanDerWaalsContact O-N 3.15Å; S41-Y159 PolarHBondContact O-OH 3.01Å |
| 42 | M | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -87 | -25.3 | 178.9 | -68.5 | -175.6 | 160.6 | 0 | 0 | 113.5 | F29 P31 H38 V39 P44 L45 A46 L58 S143 Y159 T161 | F29-M42 HydrophobicContact CB-SD 4.31Å; F29-M42 HydrophobicContact CD1-CB 3.91Å; F29-M42 HydrophobicContact CD1-CG 4.19Å; F29-M42 HydrophobicContact CD1-SD 3.8Å; F29-M42 HydrophobicContact CE1-CB 4.33Å; P31-M42 HydrophobicContact CB-CE 4.49Å; P31-M42 HydrophobicContact CB-SD 3.72Å; P31-M42 HydrophobicContact CG-SD 4.39Å; H38-M42 PolarHBondContact O-N 3.1Å; V39-M42 PolarHBondContact O-N 3.29Å; M42-P44 VanDerWaalsContact C-CD 3.47Å; M42-L45 PolarHBondContact O-N 3.38Å; M42-A46 PolarHBondContact O-N 3.26Å; M42-L58 HydrophobicContact CB-CD1 4.43Å; M42-S143 VanDerWaalsContact CE-CB 3.5Å; M42-Y159 HydrophobicContact CB-CE2 4.39Å; M42-Y159 HydrophobicContact CE-CD2 3.9Å; M42-Y159 HydrophobicContact CE-CG 3.89Å; M42-Y159 HydrophobicContact CG-CD2 4.03Å; M42-Y159 HydrophobicContact CG-CE2 3.88Å; M42-T161 HydrophobicContact CE-CG2 3.72Å; M42-T161 HydrophobicContact CG-CG2 3.78Å; M42-T161 HydrophobicContact SD-CG2 4.38Å |
| 43 | L | 90.6 | Very high | 86.1 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.7 | -42.3 | -175.6 | -73.8 | 176.6 | 0 | 0 | 0 | 115 | V39 L45 A46 K47 L58 I68 I73 F75 | V39-L43 HydrophobicContact CG1-CD1 4.45Å; V39-L43 HydrophobicContact CG1-CD2 4.47Å; V39-L43 HydrophobicContact CG1-CG 4.32Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.29Å; V39-L43 VanDerWaalsContact O-N 3.13Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 3.12Å; L43-A46 PolarHBondContact O-N 3.21Å; L43-K47 WeakPolarHBondContact O-CB 3.49Å; L43-K47 WeakPolarHBondContact O-CG 3.48Å; L43-K47 PolarHBondContact O-N 3.05Å; L43-L58 HydrophobicContact CD2-CD1 4.02Å; L43-I68 HydrophobicContact CD1-CG2 4.17Å; L43-I73 HydrophobicContact CD2-CD1 3.49Å; L43-I73 VanDerWaalsContact CD2-CD1 3.49Å; L43-F75 HydrophobicContact CD2-CZ 3.89Å |
| 44 | P | 90.2 | Very high | 87.5 | Confident | 51 Ų | 51 | 31.8 Ų | 31.8 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.3 | -46 | 179.3 | -26.3 | 36 | 0 | 0 | 0 | 112.6 | K40 M42 K47 E48 T437 | K40-P44 WeakPolarHBondContact O-CD 3.38Å; M42-P44 VanDerWaalsContact C-CD 3.47Å; P44-K47 PolarHBondContact O-N 2.88Å; P44-E48 PolarHBondContact O-N 2.98Å; P44-T437 HydrophobicContact CB-CG2 4.19Å; P44-T437 WeakPolarHBondContact O-CG2 3.5Å |
| 45 | L | 93 | Very high | 88.9 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 178.3 | -175.6 | 61.6 | 0 | 0 | 0 | 111.9 | F29 M42 L43 K47 E48 L49 Y159 I234 I254 T437 I444 | F29-L45 HydrophobicContact CE1-CD2 4.18Å; F29-L45 HydrophobicContact CE1-CG 4.42Å; F29-L45 HydrophobicContact CZ-CB 4.46Å; F29-L45 HydrophobicContact CZ-CD2 4.27Å; F29-L45 HydrophobicContact CZ-CG 4.14Å; M42-L45 PolarHBondContact O-N 3.38Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 3.12Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.91Å; L45-E48 PolarHBondContact O-N 3.2Å; L45-L49 HydrophobicContact CG-CD1 4.35Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 2.79Å; L45-Y159 HydrophobicContact CB-CE2 4.47Å; L45-Y159 HydrophobicContact CD2-CD2 4.08Å; L45-Y159 HydrophobicContact CD2-CE2 3.67Å; L45-I234 HydrophobicContact CD2-CD1 4.28Å; L45-I254 HydrophobicContact CD1-CD1 3.98Å; L45-I254 HydrophobicContact CD2-CD1 3.54Å; L45-I254 HydrophobicContact CG-CD1 4.29Å; L45-T437 HydrophobicContact CB-CG2 4.29Å; L45-T437 HydrophobicContact CD1-CG2 4.25Å; L45-I444 HydrophobicContact CD1-CD1 4.16Å; L45-I444 HydrophobicContact CD2-CD1 3.8Å; L45-I444 HydrophobicContact CG-CD1 4.17Å |
| 46 | A | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F29 M42 L43 L50 V56 I73 | F29-A46 HydrophobicContact CD2-CB 4.01Å; F29-A46 HydrophobicContact CE2-CB 3.75Å; F29-A46 HydrophobicContact CZ-CB 4.02Å; M42-A46 PolarHBondContact O-N 3.26Å; L43-A46 PolarHBondContact O-N 3.21Å; A46-L50 WeakPolarHBondContact O-CG 3.38Å; A46-L50 PolarHBondContact O-N 3.33Å; A46-L50 VanDerWaalsContact O-N 3.15Å; A46-V56 HydrophobicContact CB-CG1 3.9Å; A46-I73 HydrophobicContact CB-CD1 3.88Å |
| 47 | K | 93.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 34.3 Ų | 34.3 | 40% | 0.396 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.9 | -39.8 | 175.8 | -71.8 | -177.7 | 179.6 | -172.3 | 0 | 112.4 | L43 P44 L45 L49 L50 N51 I73 | L43-K47 WeakPolarHBondContact O-CB 3.49Å; L43-K47 WeakPolarHBondContact O-CG 3.48Å; L43-K47 PolarHBondContact O-N 3.05Å; P44-K47 PolarHBondContact O-N 2.88Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.91Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-L49 PolarHBondContact O-N 2.92Å; K47-L50 WeakPolarHBondContact O-CB 3.5Å; K47-L50 PolarHBondContact O-N 3.47Å; K47-N51 VanDerWaalsContact O-CG 3.28Å; K47-N51 PolarHBondContact O-N 2.99Å; K47-N51 PolarHBondContact O-ND2 3.32Å; K47-I73 HydrophobicContact CG-CD1 3.8Å |
| 48 | E | 93 | Very high | 91.2 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 177.3 | -165.8 | 63.4 | -173.3 | 0 | 0 | 111.8 | P44 L45 L50 N51 D52 T437 K438 | P44-E48 PolarHBondContact O-N 2.98Å; L45-E48 PolarHBondContact O-N 3.2Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 3.27Å; E48-N51 WeakPolarHBondContact O-CB 3.36Å; E48-N51 PolarHBondContact O-N 3.36Å; E48-N51 VanDerWaalsContact O-N 3.12Å; E48-N51 PolarHBondContact OE2-ND2 2.84Å; E48-D52 PolarHBondContact O-N 3.28Å; E48-T437 HydrophobicContact CB-CG2 3.75Å; E48-T437 HydrophobicContact CG-CG2 4.31Å; E48-K438 HydrophobicContact CG-CG 4.47Å; E48-K438 WeakPolarHBondContact OE1-CG 3.3Å |
| 49 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.7 | -32.6 | 174.4 | -71.5 | 166 | 0 | 0 | 0 | 113.2 | I27 F29 L45 K47 D52 G53 H54 V56 I141 S441 I444 | I27-L49 HydrophobicContact CD1-CB 4.46Å; I27-L49 HydrophobicContact CD1-CD1 4.07Å; I27-L49 HydrophobicContact CD1-CD2 4.13Å; I27-L49 HydrophobicContact CD1-CG 4.47Å; F29-L49 HydrophobicContact CE2-CD1 3.81Å; F29-L49 HydrophobicContact CZ-CD1 3.68Å; L45-L49 HydrophobicContact CG-CD1 4.35Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 2.79Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-L49 PolarHBondContact O-N 2.92Å; L49-D52 PolarHBondContact O-N 3.43Å; L49-G53 PolarHBondContact O-N 3.1Å; L49-H54 WeakPolarHBondContact O-CB 3.46Å; L49-H54 PolarHBondContact O-CD2 2.79Å; L49-H54 PolarHBondContact O-N 3.32Å; L49-H54 VanDerWaalsContact O-N 3.09Å; L49-V56 HydrophobicContact CB-CG2 3.82Å; L49-I141 HydrophobicContact CD1-CD1 4.35Å; L49-S441 VanDerWaalsContact CD2-OG 3.32Å; L49-S441 WeakPolarHBondContact CD2-OG 3.5Å; L49-I444 HydrophobicContact CD1-CD1 3.91Å; L49-I444 HydrophobicContact CD1-CG2 4.25Å; L49-I444 HydrophobicContact CD2-CB 4Å; L49-I444 HydrophobicContact CD2-CD1 4.41Å; L49-I444 HydrophobicContact CD2-CG2 3.61Å |
| 50 | L | 94 | Very high | 91.4 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 169.8 | -74.4 | 170.2 | 0 | 0 | 0 | 111.1 | A46 K47 E48 D52 G53 H54 V56 S72 I73 | A46-L50 WeakPolarHBondContact O-CG 3.38Å; A46-L50 PolarHBondContact O-N 3.33Å; A46-L50 VanDerWaalsContact O-N 3.15Å; K47-L50 WeakPolarHBondContact O-CB 3.5Å; K47-L50 PolarHBondContact O-N 3.47Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 3.27Å; L50-D52 PolarHBondContact O-N 3.19Å; L50-G53 WeakPolarHBondContact O-CA 3.46Å; L50-G53 PolarHBondContact O-N 3.36Å; L50-H54 WeakPolarHBondContact CD2-O 3.34Å; L50-V56 HydrophobicContact CD2-CB 3.74Å; L50-V56 HydrophobicContact CD2-CG2 3.85Å; L50-V56 HydrophobicContact CG-CB 3.82Å; L50-V56 HydrophobicContact CG-CG2 3.79Å; L50-S72 VanDerWaalsContact CD1-O 3.22Å; L50-S72 WeakPolarHBondContact CD1-O 3.29Å; L50-I73 HydrophobicContact CD1-CB 4.48Å; L50-I73 HydrophobicContact CD1-CD1 4.47Å; L50-I73 HydrophobicContact CD1-CG1 3.46Å; L50-I73 VanDerWaalsContact CD1-CG1 3.46Å |
| 51 | N | 92.9 | Very high | 91 | Very high | 121 Ų | 121 | 28.8 Ų | 28.8 | 65% | 0.647 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -63.5 | -32.1 | 176.5 | -63.3 | -25.1 | 0 | 0 | 0 | 112 | K47 E48 G53 | K47-N51 VanDerWaalsContact O-CG 3.28Å; K47-N51 PolarHBondContact O-N 2.99Å; K47-N51 PolarHBondContact O-ND2 3.32Å; E48-N51 WeakPolarHBondContact O-CB 3.36Å; E48-N51 PolarHBondContact O-N 3.36Å; E48-N51 VanDerWaalsContact O-N 3.12Å; E48-N51 PolarHBondContact OE2-ND2 2.84Å; N51-G53 PolarHBondContact O-N 3.04Å |
| 52 | D | 91.7 | Very high | 90.4 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 41% | 0.412 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.1 | 171.9 | -77.3 | -7.9 | 0 | 0 | 0 | 113.4 | E48 L49 L50 S441 S445 | E48-D52 PolarHBondContact O-N 3.28Å; L49-D52 PolarHBondContact O-N 3.43Å; L50-D52 PolarHBondContact O-N 3.19Å; D52-S441 PolarHBondContact OD2-OG 3.15Å; D52-S445 PolarHBondContact OD2-OG 3.11Å |
| 53 | G | 92.7 | Very high | 89.7 | Confident | 43 Ų | 43 | 32.6 Ų | 32.6 | 44% | 0.443 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 12.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | A24 L49 L50 N51 | A24-G53 WeakPolarHBondContact CB-O 2.77Å; L49-G53 PolarHBondContact O-N 3.1Å; L50-G53 WeakPolarHBondContact O-CA 3.46Å; L50-G53 PolarHBondContact O-N 3.36Å; N51-G53 PolarHBondContact O-N 3.04Å |
| 54 | H | 94.1 | Very high | 88.8 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | trans | -81.8 | 158.8 | 174.5 | -58.2 | -61.2 | 0 | 0 | 0 | 111.7 | K25 I27 L49 L50 V56 S445 | K25-H54 PolarHBondContact N-ND1 3.07Å; I27-H54 HydrophobicContact CD1-CB 3.82Å; I27-H54 HydrophobicContact CG1-CB 4.43Å; L49-H54 WeakPolarHBondContact O-CB 3.46Å; L49-H54 PolarHBondContact O-CD2 2.79Å; L49-H54 PolarHBondContact O-N 3.32Å; L49-H54 VanDerWaalsContact O-N 3.09Å; L50-H54 WeakPolarHBondContact CD2-O 3.34Å; H54-V56 HydrophobicContact CB-CG2 4.36Å; H54-S445 PolarHBondContact NE2-OG 2.83Å | ||
| 55 | N | 93 | Very high | 88 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 111.4 | 170.5 | -175.7 | -12.6 | 0 | 0 | 0 | 109.1 | K25 H26 I27 | K25-N55 PolarHBondContact O-N 3.15Å; H26-N55 WeakPolarHBondContact CA-O 3.36Å; H26-N55 PolarHBondContact CE1-ND2 2.61Å; H26-N55 PolarHBondContact ND1-ND2 3.1Å; I27-N55 PolarHBondContact N-O 3.18Å |
| 56 | V | 94.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.2 | -173.3 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | I27 F29 A46 L49 L50 H54 | I27-V56 WeakPolarHBondContact O-CA 3.45Å; F29-V56 HydrophobicContact CD2-CG1 3.59Å; F29-V56 HydrophobicContact CE2-CG1 3.64Å; A46-V56 HydrophobicContact CB-CG1 3.9Å; L49-V56 HydrophobicContact CB-CG2 3.82Å; L50-V56 HydrophobicContact CD2-CB 3.74Å; L50-V56 HydrophobicContact CD2-CG2 3.85Å; L50-V56 HydrophobicContact CG-CB 3.82Å; L50-V56 HydrophobicContact CG-CG2 3.79Å; H54-V56 HydrophobicContact CB-CG2 4.36Å |
| 57 | S | 92.2 | Very high | 86.8 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 151 | 168.4 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | I27 L28 F29 N74 | I27-S57 PolarHBondContact O-N 3.14Å; L28-S57 WeakPolarHBondContact CA-O 3.26Å; F29-S57 PolarHBondContact N-O 2.92Å; S57-N74 CarbonylContact C-O 3.56Å; S57-N74 WeakPolarHBondContact CA-O 3.41Å; S57-N74 PolarHBondContact OG-ND2 3.31Å |
| 58 | L | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.6 | 179.8 | -170.5 | 150 | 0 | 0 | 0 | 110.5 | F29 P31 V39 M42 L43 Q60 I73 N74 F75 I76 | F29-L58 HydrophobicContact CB-CB 4.17Å; F29-L58 HydrophobicContact CB-CD1 3.9Å; F29-L58 HydrophobicContact CB-CG 3.8Å; F29-L58 HydrophobicContact CG-CD1 4.45Å; P31-L58 HydrophobicContact CG-CD2 4.24Å; V39-L58 HydrophobicContact CG1-CD2 3.75Å; V39-L58 HydrophobicContact CG2-CD2 4.41Å; M42-L58 HydrophobicContact CB-CD1 4.43Å; L43-L58 HydrophobicContact CD2-CD1 4.02Å; L58-Q60 HydrophobicContact CD2-CB 4.47Å; L58-I73 HydrophobicContact CB-CG2 3.86Å; L58-N74 PolarHBondContact N-O 2.84Å; L58-F75 HydrophobicContact CD2-CD1 3.87Å; L58-F75 HydrophobicContact CD2-CE1 3.66Å; L58-F75 CarbonylContact O-C 3.57Å; L58-F75 WeakPolarHBondContact O-CA 3.49Å; L58-I76 PolarHBondContact O-N 2.84Å |
| 59 | V | 86.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.9 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | L28 F29 M30 P31 F61 I76 L78 F128 | L28-V59 HydrophobicContact CD1-CG2 3.87Å; L28-V59 HydrophobicContact CD2-CG2 4.4Å; L28-V59 HydrophobicContact CG-CG2 4.37Å; F29-V59 PolarHBondContact O-N 3.11Å; M30-V59 HydrophobicContact CE-CG2 4.47Å; M30-V59 HydrophobicContact CG-CG2 4.23Å; P31-V59 WeakPolarHBondContact CD-O 3.39Å; P31-V59 WeakPolarHBondContact CG-O 3.43Å; V59-F61 HydrophobicContact CG1-CD2 4.31Å; V59-F61 HydrophobicContact CG1-CE2 3.9Å; V59-I76 WeakPolarHBondContact CA-O 3.44Å; V59-L78 HydrophobicContact CG1-CD1 3.84Å; V59-F128 HydrophobicContact CG1-CZ 4.1Å; V59-F128 HydrophobicContact CG2-CE2 4.43Å; V59-F128 HydrophobicContact CG2-CZ 4.08Å |
| 60 | Q | 84.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115 | 171 | 179.2 | 176.1 | 15.9 | 0 | 0 | 110.4 | V39 L58 E66 I68 F75 I76 Y77 L78 | V39-Q60 HydrophobicContact CG2-CB 4.36Å; V39-Q60 HydrophobicContact CG2-CG 4Å; L58-Q60 HydrophobicContact CD2-CB 4.47Å; Q60-E66 PolarHBondContact NE2-O 3.32Å; Q60-E66 VanDerWaalsContact NE2-O 3.15Å; Q60-I68 VanDerWaalsContact NE2-N 3.17Å; Q60-I68 PolarHBondContact OE1-O 3.44Å; Q60-I68 VanDerWaalsContact OE1-O 3.08Å; Q60-F75 HydrophobicContact CB-CD1 4.04Å; Q60-I76 PolarHBondContact N-O 2.8Å; Q60-Y77 HydrophobicContact CB-CD1 4.21Å; Q60-Y77 HydrophobicContact CB-CE1 4.41Å; Q60-Y77 WeakPolarHBondContact O-CA 3.47Å; Q60-L78 PolarHBondContact O-N 2.95Å |
| 61 | F | 77.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.7 | 158.7 | -64.6 | -94.5 | 0 | 0 | 0 | 108.5 | A34 V59 L78 M80 Y147 | A34-F61 HydrophobicContact CB-CB 3.56Å; V59-F61 HydrophobicContact CG1-CD2 4.31Å; V59-F61 HydrophobicContact CG1-CE2 3.9Å; F61-L78 CarbonylContact C-O 3.53Å; F61-L78 VanDerWaalsContact CA-O 3.26Å; F61-L78 WeakPolarHBondContact CA-O 3.37Å; F61-L78 HydrophobicContact CD1-CB 3.71Å; F61-L78 HydrophobicContact CD1-CD1 4.06Å; F61-L78 HydrophobicContact CE1-CB 3.87Å; F61-L78 HydrophobicContact CE1-CD1 3.41Å; F61-L78 VanDerWaalsContact CE1-CD1 3.41Å; F61-L78 HydrophobicContact CE1-CG 4.29Å; F61-L78 HydrophobicContact CE2-CD1 3.88Å; F61-L78 HydrophobicContact CG-CB 4.24Å; F61-L78 HydrophobicContact CZ-CB 4.47Å; F61-L78 HydrophobicContact CZ-CD1 3.3Å; F61-M80 HydrophobicContact CB-CG 4.25Å; F61-Y147 HydrophobicContact CD2-CE1 4.18Å; F61-Y147 WeakPolarHBondContact CD2-OH 3.38Å; F61-Y147 HydrophobicContact CE2-CD1 4.15Å; F61-Y147 AromaticContact CE2-CE1 3.19Å; F61-Y147 HydrophobicContact CE2-CE1 3.19Å; F61-Y147 AromaticContact CE2-CZ 3.48Å; F61-Y147 VanDerWaalsContact CE2-CZ 3.48Å; F61-Y147 VanDerWaalsContact CE2-OH 3.23Å; F61-Y147 WeakPolarHBondContact CE2-OH 3.45Å; F61-Y147 HydrophobicContact CZ-CD1 4.39Å; F61-Y147 AromaticContact CZ-CE1 3.52Å; F61-Y147 HydrophobicContact CZ-CE1 3.52Å |
| 62 | Y | 74.4 | Confident | 84.9 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.8 | -176.3 | 75.6 | -71.5 | 0 | 0 | 0 | 112.4 | K67 Y77 L78 P79 M80 | Y62-K67 HydrophobicContact CD2-CB 3.83Å; Y62-K67 HydrophobicContact CD2-CD 4.13Å; Y62-K67 HydrophobicContact CD2-CG 4.02Å; Y62-K67 HydrophobicContact CE2-CB 4.47Å; Y62-K67 HydrophobicContact CE2-CD 4.02Å; Y62-K67 HydrophobicContact CE2-CG 4.41Å; Y62-K67 HydrophobicContact CG-CB 4.38Å; Y62-K67 HydrophobicContact CG-CG 4.35Å; Y62-Y77 HydrophobicContact CD1-CD1 4.07Å; Y62-Y77 HydrophobicContact CD1-CG 4.48Å; Y62-Y77 HydrophobicContact CE1-CD1 4.33Å; Y62-Y77 HydrophobicContact CE1-CG 4.31Å; Y62-L78 VanDerWaalsContact CD1-O 3.32Å; Y62-L78 WeakPolarHBondContact CD1-O 3.31Å; Y62-L78 PolarHBondContact N-O 3.26Å; Y62-P79 HydrophobicContact CE1-CB 4.41Å; Y62-M80 PolarHBondContact O-N 3.46Å; Y62-M80 VanDerWaalsContact O-N 3.11Å |
| 63 | N | 75.3 | Confident | 84.9 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | -91.8 | 151.8 | 152.7 | -59.9 | -50.6 | 0 | 0 | 0 | 108 | G65 E66 | N63-G65 PolarHBondContact O-N 3.08Å; N63-E66 HydrophobicContact CB-CB 4.49Å; N63-E66 HydrophobicContact CB-CG 4.49Å; N63-E66 PolarHBondContact ND2-OE2 3.27Å; N63-E66 PolarHBondContact O-N 2.96Å | ||
| 64 | E | 72 | Confident | 84.8 | Confident | 183 Ų | 183 | 54.2 Ų | 54.2 | 86% | 0.855 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -52.2 | -37.5 | -172 | -68 | -165.2 | 156.1 | 0 | 0 | 114.3 | E66 | E64-E66 VanDerWaalsContact C-N 3.29Å; E64-E66 PolarHBondContact O-N 2.84Å |
| 65 | G | 73.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 87% | 0.866 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -78 | -3.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | N63 | N63-G65 PolarHBondContact O-N 3.08Š|
| 66 | E | 77.2 | Confident | 84.3 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -119.8 | 5.7 | -171.1 | -67.8 | -171.9 | 135.9 | 0 | 0 | 113.2 | P36 Q60 N63 E64 I68 | P36-E66 HydrophobicContact CG-CB 3.73Å; P36-E66 HydrophobicContact CG-CG 4.15Å; Q60-E66 PolarHBondContact NE2-O 3.32Å; Q60-E66 VanDerWaalsContact NE2-O 3.15Å; N63-E66 HydrophobicContact CB-CB 4.49Å; N63-E66 HydrophobicContact CB-CG 4.49Å; N63-E66 PolarHBondContact ND2-OE2 3.27Å; N63-E66 PolarHBondContact O-N 2.96Å; E64-E66 VanDerWaalsContact C-N 3.29Å; E64-E66 PolarHBondContact O-N 2.84Å; E66-I68 PolarHBondContact O-N 3.25Å |
| 67 | K | 84.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | trans | -62.6 | 130.2 | -179.2 | -164.9 | 173.8 | -177.6 | 174 | 0 | 110.9 | Y62 Y77 | Y62-K67 HydrophobicContact CD2-CB 3.83Å; Y62-K67 HydrophobicContact CD2-CD 4.13Å; Y62-K67 HydrophobicContact CD2-CG 4.02Å; Y62-K67 HydrophobicContact CE2-CB 4.47Å; Y62-K67 HydrophobicContact CE2-CD 4.02Å; Y62-K67 HydrophobicContact CE2-CG 4.41Å; Y62-K67 HydrophobicContact CG-CB 4.38Å; Y62-K67 HydrophobicContact CG-CG 4.35Å; K67-Y77 HydrophobicContact CD-CD1 4.3Å; K67-Y77 HydrophobicContact CD-CE1 4.08Å; K67-Y77 VanDerWaalsContact CE-CE2 3.4Å; K67-Y77 HydrophobicContact CG-CD1 3.99Å; K67-Y77 HydrophobicContact CG-CE1 3.55Å | ||
| 68 | I | 85.4 | Confident | 83.1 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | trans | -104.7 | 135.7 | 174.5 | -64.2 | 163.4 | 0 | 0 | 0 | 107.7 | P36 V39 K40 L43 Q60 E66 F75 Y77 | P36-I68 HydrophobicContact CB-CD1 3.85Å; P36-I68 HydrophobicContact CB-CG1 4.5Å; P36-I68 WeakPolarHBondContact O-CD1 3.34Å; V39-I68 HydrophobicContact CB-CD1 3.74Å; V39-I68 HydrophobicContact CG1-CB 4.47Å; V39-I68 HydrophobicContact CG1-CD1 3.67Å; V39-I68 HydrophobicContact CG2-CD1 4.46Å; K40-I68 HydrophobicContact CD-CD1 4.48Å; K40-I68 HydrophobicContact CG-CD1 3.87Å; L43-I68 HydrophobicContact CD1-CG2 4.17Å; Q60-I68 VanDerWaalsContact NE2-N 3.17Å; Q60-I68 PolarHBondContact OE1-O 3.44Å; Q60-I68 VanDerWaalsContact OE1-O 3.08Å; E66-I68 PolarHBondContact O-N 3.25Å; I68-F75 HydrophobicContact CB-CE1 4.45Å; I68-F75 HydrophobicContact CG2-CE1 4.35Å; I68-F75 HydrophobicContact CG2-CZ 3.96Å; I68-Y77 WeakPolarHBondContact O-CE1 3.46Å; I68-Y77 PolarHBondContact O-OH 3.5Å | ||
| 69 | T | 86.8 | Confident | 82.3 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | trans | -121.4 | 154.3 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 70 | S | 86 | Confident | 81.4 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | trans | -152.6 | 136.7 | 170.9 | -171.5 | 0 | 0 | 0 | 0 | 108 | S72 | S70-S72 PolarHBondContact O-N 3.43Š| ||
| 71 | D | 83.5 | Confident | 80.2 | Confident | 175 Ų | 175 | 65.4 Ų | 65.4 | 94% | 0.936 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -66.6 | -25.1 | -178.2 | -54 | -33.1 | 0 | 0 | 0 | 112.8 | ||
| 72 | S | 86.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 59% | 0.594 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -97.9 | -22.6 | -174.1 | -36 | 0 | 0 | 0 | 0 | 115 | L50 S70 | L50-S72 VanDerWaalsContact CD1-O 3.22Å; L50-S72 WeakPolarHBondContact CD1-O 3.29Å; S70-S72 PolarHBondContact O-N 3.43Å |
| 73 | I | 90.7 | Very high | 78.3 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -104.8 | 129.7 | -173.9 | -69.9 | 168.6 | 0 | 0 | 0 | 109.2 | L43 A46 K47 L50 L58 F75 | L43-I73 HydrophobicContact CD2-CD1 3.49Å; L43-I73 VanDerWaalsContact CD2-CD1 3.49Å; A46-I73 HydrophobicContact CB-CD1 3.88Å; K47-I73 HydrophobicContact CG-CD1 3.8Å; L50-I73 HydrophobicContact CD1-CB 4.48Å; L50-I73 HydrophobicContact CD1-CD1 4.47Å; L50-I73 HydrophobicContact CD1-CG1 3.46Å; L50-I73 VanDerWaalsContact CD1-CG1 3.46Å; L58-I73 HydrophobicContact CB-CG2 3.86Å; I73-F75 HydrophobicContact CB-CD2 4.38Å; I73-F75 HydrophobicContact CB-CE2 4.03Å; I73-F75 HydrophobicContact CG2-CD2 4.13Å; I73-F75 HydrophobicContact CG2-CE2 4Å; I73-F75 HydrophobicContact CG2-CZ 4.44Å; I73-F75 WeakPolarHBondContact O-CD2 3.48Å; I73-F75 PolarHBondContact O-N 3.02Å; I73-F75 VanDerWaalsContact O-N 3.16Å |
| 74 | N | 91 | Very high | 77.5 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 102.4 | 172.1 | 179.5 | 49.8 | 0 | 0 | 0 | 110.4 | S57 L58 | S57-N74 CarbonylContact C-O 3.56Å; S57-N74 WeakPolarHBondContact CA-O 3.41Å; S57-N74 PolarHBondContact OG-ND2 3.31Å; L58-N74 PolarHBondContact N-O 2.84Å |
| 75 | F | 90.5 | Very high | 77 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.8 | 174.8 | -76.8 | -94.7 | 0 | 0 | 0 | 111.5 | V39 L43 L58 Q60 I68 I73 Y77 | V39-F75 HydrophobicContact CG1-CE1 3.99Å; L43-F75 HydrophobicContact CD2-CZ 3.89Å; L58-F75 HydrophobicContact CD2-CD1 3.87Å; L58-F75 HydrophobicContact CD2-CE1 3.66Å; L58-F75 CarbonylContact O-C 3.57Å; L58-F75 WeakPolarHBondContact O-CA 3.49Å; Q60-F75 HydrophobicContact CB-CD1 4.04Å; I68-F75 HydrophobicContact CB-CE1 4.45Å; I68-F75 HydrophobicContact CG2-CE1 4.35Å; I68-F75 HydrophobicContact CG2-CZ 3.96Å; I73-F75 HydrophobicContact CB-CD2 4.38Å; I73-F75 HydrophobicContact CB-CE2 4.03Å; I73-F75 HydrophobicContact CG2-CD2 4.13Å; I73-F75 HydrophobicContact CG2-CE2 4Å; I73-F75 HydrophobicContact CG2-CZ 4.44Å; I73-F75 WeakPolarHBondContact O-CD2 3.48Å; I73-F75 PolarHBondContact O-N 3.02Å; I73-F75 VanDerWaalsContact O-N 3.16Å; F75-Y77 HydrophobicContact CB-CD1 4.34Å; F75-Y77 HydrophobicContact CB-CD2 4.12Å; F75-Y77 HydrophobicContact CB-CE1 3.74Å; F75-Y77 HydrophobicContact CB-CE2 3.51Å; F75-Y77 WeakPolarHBondContact CB-OH 3.37Å; F75-Y77 HydrophobicContact CD1-CE1 4.08Å; F75-Y77 HydrophobicContact CG-CE1 4.05Å; F75-Y77 HydrophobicContact CG-CE2 4.44Å; F75-Y77 AromaticContact CG-CZ 3.75Å; F75-Y77 WeakPolarHBondContact CG-OH 3.34Å |
| 76 | I | 85.9 | Confident | 76.8 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.5 | 166 | -47.7 | 171.1 | 0 | 0 | 0 | 107.3 | L28 L58 V59 Q60 F128 | L28-I76 HydrophobicContact CD1-CD1 4.08Å; L58-I76 PolarHBondContact O-N 2.84Å; V59-I76 WeakPolarHBondContact CA-O 3.44Å; Q60-I76 PolarHBondContact N-O 2.8Å; I76-F128 HydrophobicContact CB-CE2 4.25Å; I76-F128 HydrophobicContact CG2-CD2 3.67Å; I76-F128 HydrophobicContact CG2-CE2 3.44Å; I76-F128 VanDerWaalsContact CG2-CE2 3.44Å |
| 77 | Y | 84.1 | Confident | 76.7 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.1 | -173.1 | -67.2 | -68.6 | 0 | 0 | 0 | 111.6 | Q60 Y62 K67 I68 F75 | Q60-Y77 HydrophobicContact CB-CD1 4.21Å; Q60-Y77 HydrophobicContact CB-CE1 4.41Å; Q60-Y77 WeakPolarHBondContact O-CA 3.47Å; Y62-Y77 HydrophobicContact CD1-CD1 4.07Å; Y62-Y77 HydrophobicContact CD1-CG 4.48Å; Y62-Y77 HydrophobicContact CE1-CD1 4.33Å; Y62-Y77 HydrophobicContact CE1-CG 4.31Å; K67-Y77 HydrophobicContact CD-CD1 4.3Å; K67-Y77 HydrophobicContact CD-CE1 4.08Å; K67-Y77 VanDerWaalsContact CE-CE2 3.4Å; K67-Y77 HydrophobicContact CG-CD1 3.99Å; K67-Y77 HydrophobicContact CG-CE1 3.55Å; I68-Y77 WeakPolarHBondContact O-CE1 3.46Å; I68-Y77 PolarHBondContact O-OH 3.5Å; F75-Y77 HydrophobicContact CB-CD1 4.34Å; F75-Y77 HydrophobicContact CB-CD2 4.12Å; F75-Y77 HydrophobicContact CB-CE1 3.74Å; F75-Y77 HydrophobicContact CB-CE2 3.51Å; F75-Y77 WeakPolarHBondContact CB-OH 3.37Å; F75-Y77 HydrophobicContact CD1-CE1 4.08Å; F75-Y77 HydrophobicContact CG-CE1 4.05Å; F75-Y77 HydrophobicContact CG-CE2 4.44Å; F75-Y77 AromaticContact CG-CZ 3.75Å; F75-Y77 WeakPolarHBondContact CG-OH 3.34Å |
| 78 | L | 77.5 | Confident | 76.4 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 115.4 | 173.6 | -70.9 | 174.6 | 0 | 0 | 0 | 109.9 | V59 Q60 F61 Y62 Q125 F128 | V59-L78 HydrophobicContact CG1-CD1 3.84Å; Q60-L78 PolarHBondContact O-N 2.95Å; F61-L78 CarbonylContact C-O 3.53Å; F61-L78 VanDerWaalsContact CA-O 3.26Å; F61-L78 WeakPolarHBondContact CA-O 3.37Å; F61-L78 HydrophobicContact CD1-CB 3.71Å; F61-L78 HydrophobicContact CD1-CD1 4.06Å; F61-L78 HydrophobicContact CE1-CB 3.87Å; F61-L78 HydrophobicContact CE1-CD1 3.41Å; F61-L78 VanDerWaalsContact CE1-CD1 3.41Å; F61-L78 HydrophobicContact CE1-CG 4.29Å; F61-L78 HydrophobicContact CE2-CD1 3.88Å; F61-L78 HydrophobicContact CG-CB 4.24Å; F61-L78 HydrophobicContact CZ-CB 4.47Å; F61-L78 HydrophobicContact CZ-CD1 3.3Å; Y62-L78 VanDerWaalsContact CD1-O 3.32Å; Y62-L78 WeakPolarHBondContact CD1-O 3.31Å; Y62-L78 PolarHBondContact N-O 3.26Å; L78-Q125 HydrophobicContact CD2-CG 4.49Å; L78-F128 HydrophobicContact CD1-CD1 3.87Å; L78-F128 HydrophobicContact CD1-CD2 4.24Å; L78-F128 HydrophobicContact CD1-CE1 3.61Å; L78-F128 HydrophobicContact CD1-CE2 3.98Å; L78-F128 HydrophobicContact CD1-CG 4.2Å; L78-F128 HydrophobicContact CD1-CZ 3.67Å; L78-F128 HydrophobicContact CD2-CB 3.85Å; L78-F128 HydrophobicContact CD2-CD1 3.94Å; L78-F128 HydrophobicContact CD2-CD2 3.72Å; L78-F128 HydrophobicContact CD2-CE1 4.48Å; L78-F128 HydrophobicContact CD2-CE2 4.25Å; L78-F128 HydrophobicContact CD2-CG 3.55Å; L78-F128 HydrophobicContact CG-CD1 4.46Å; L78-F128 HydrophobicContact CG-CD2 4.17Å; L78-F128 HydrophobicContact CG-CE2 4.21Å; L78-F128 HydrophobicContact CG-CG 4.31Å; L78-F128 HydrophobicContact CG-CZ 4.4Å |
| 79 | P | 74.7 | Confident | 76.2 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 49% | 0.494 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 138.2 | 174.2 | 28.2 | -32.8 | 0 | 0 | 0 | 109.7 | Y62 Q125 | Y62-P79 HydrophobicContact CE1-CB 4.41Å; P79-Q125 PolarHBondContact O-NE2 3.18Å |
| 80 | M | 68.5 | Low | 75.8 | Confident | 43 Ų | 43 | 68 Ų | 68 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | trans | -81.6 | 131 | 167.4 | -74.3 | -165.3 | 79 | 0 | 0 | 110.6 | A34 F61 Y62 E82 A83 | A34-M80 HydrophobicContact CB-CE 4.14Å; A34-M80 HydrophobicContact CB-CG 3.88Å; A34-M80 HydrophobicContact CB-SD 3.01Å; A34-M80 WeakPolarHBondContact CB-SD 3.29Å; F61-M80 HydrophobicContact CB-CG 4.25Å; Y62-M80 PolarHBondContact O-N 3.46Å; Y62-M80 VanDerWaalsContact O-N 3.11Å; M80-E82 PolarHBondContact O-N 3.21Å; M80-A83 HydrophobicContact CE-CB 4.5Å; M80-A83 WeakPolarHBondContact CE-O 3.49Å | ||
| 81 | S | 59.6 | Low | 75.6 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 57% | 0.566 | 36% | 0.363 | S | S | * | . | trans | -76.7 | 102.4 | 164.6 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | A83 | S81-A83 PolarHBondContact O-N 2.87Š| ||
| 82 | E | 54.5 | Low | 75.6 | Confident | 198 Ų | 198 | 62 Ų | 62 | 93% | 0.925 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 44 | -7.2 | 164.5 | -67.6 | -166.7 | 163.7 | 0 | 0 | 121.8 | M80 S84 | M80-E82 PolarHBondContact O-N 3.21Å; E82-S84 PolarHBondContact O-N 2.96Å; E82-S84 VanDerWaalsContact O-N 3.17Å |
| 83 | A | 56.1 | Low | 75.5 | Confident | 43 Ų | 43 | 60 Ų | 60 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | trans | -85 | 95.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | M80 S81 L85 A115 | M80-A83 HydrophobicContact CE-CB 4.5Å; M80-A83 WeakPolarHBondContact CE-O 3.49Å; S81-A83 PolarHBondContact O-N 2.87Å; A83-L85 PolarHBondContact O-N 3.49Å; A83-A115 HydrophobicContact CB-CB 4.43Å | ||
| 84 | S | 59.5 | Low | 75.3 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -53.9 | 141.6 | 163.5 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | E82 I86 D87 | E82-S84 PolarHBondContact O-N 2.96Å; E82-S84 VanDerWaalsContact O-N 3.17Å; S84-I86 PolarHBondContact O-N 2.95Å; S84-I86 VanDerWaalsContact O-N 3.09Å; S84-I86 VanDerWaalsContact OG-C 3.27Å; S84-I86 PolarHBondContact OG-O 2.96Å; S84-D87 WeakPolarHBondContact OG-CA 3.2Å; S84-D87 PolarHBondContact OG-N 3.1Å | ||
| 85 | L | 60.9 | Low | 75.2 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -56.2 | -29.1 | 178.2 | -73.7 | 168.9 | 0 | 0 | 0 | 112.5 | M33 A35 A83 I112 | M33-L85 HydrophobicContact CB-CD2 3.99Å; A35-L85 HydrophobicContact CB-CD1 3.73Å; A83-L85 PolarHBondContact O-N 3.49Å; L85-I112 HydrophobicContact CD2-CD1 3.93Å; L85-I112 HydrophobicContact CD2-CG1 3.96Å; L85-I112 HydrophobicContact CD2-CG2 4.27Å |
| 86 | I | 69.7 | Low | 75.1 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -133.3 | 113.7 | 175.8 | -52.2 | 178.7 | 0 | 0 | 0 | 106.8 | S84 Q90 Q91 I94 L288 F376 | S84-I86 PolarHBondContact O-N 2.95Å; S84-I86 VanDerWaalsContact O-N 3.09Å; S84-I86 VanDerWaalsContact OG-C 3.27Å; S84-I86 PolarHBondContact OG-O 2.96Å; I86-Q90 HydrophobicContact CG2-CB 3.5Å; I86-Q90 VanDerWaalsContact CG2-CB 3.5Å; I86-Q91 HydrophobicContact CB-CG 4.48Å; I86-Q91 HydrophobicContact CG2-CB 4.41Å; I86-Q91 HydrophobicContact CG2-CG 3.68Å; I86-I94 HydrophobicContact CD1-CD1 3.82Å; I86-I94 HydrophobicContact CG1-CD1 4.44Å; I86-I94 HydrophobicContact CG2-CD1 3.63Å; I86-L288 HydrophobicContact CD1-CB 3.83Å; I86-L288 HydrophobicContact CD1-CD1 4.26Å; I86-L288 HydrophobicContact CD1-CD2 4.11Å; I86-L288 HydrophobicContact CD1-CG 4.28Å; I86-F376 HydrophobicContact CD1-CE1 4.24Å; I86-F376 HydrophobicContact CD1-CZ 3.77Å |
| 87 | D | 74.8 | Confident | 75 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | trans | -78.1 | 173.1 | 173.6 | 64.3 | 39.1 | 0 | 0 | 0 | 111.8 | S84 E89 Q90 Q91 K111 | S84-D87 WeakPolarHBondContact OG-CA 3.2Å; S84-D87 PolarHBondContact OG-N 3.1Å; D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 2.86Å; D87-E89 WeakPolarHBondContact OD1-CA 3.44Å; D87-E89 WeakPolarHBondContact OD1-CB 3.33Å; D87-E89 PolarHBondContact OD1-N 3.47Å; D87-E89 VanDerWaalsContact OD1-N 3.08Å; D87-Q90 PolarHBondContact O-N 2.92Å; D87-Q90 WeakPolarHBondContact OD1-CB 3.43Å; D87-Q90 VanDerWaalsContact OD1-CG 3.3Å; D87-Q90 WeakPolarHBondContact OD1-CG 2.92Å; D87-Q90 PolarHBondContact OD1-N 2.78Å; D87-Q90 PolarHBondContact OD2-OE1 2.62Å; D87-Q91 WeakPolarHBondContact O-CG 3.4Å; D87-Q91 PolarHBondContact O-N 3.31Å; D87-K111 IonicContact OD2-NZ 3.26Å; D87-K111 PolarHBondContact OD2-NZ 3.41Å | ||
| 88 | K | 78.3 | Confident | 74.8 | Confident | 184 Ų | 184 | 70.3 Ų | 70.3 | 80% | 0.8 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.8 | -35 | -179.5 | -73 | -176.2 | 177.4 | 179.4 | 0 | 113.1 | T92 | K88-T92 WeakPolarHBondContact O-CB 3.43Å; K88-T92 PolarHBondContact O-N 2.93Å; K88-T92 PolarHBondContact O-OG1 2.54Å |
| 89 | E | 80.6 | Confident | 74.2 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.9 | -43.4 | 177.9 | -172.1 | -163.1 | 164.4 | 0 | 0 | 110.5 | D87 T92 T93 | D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 2.86Å; D87-E89 WeakPolarHBondContact OD1-CA 3.44Å; D87-E89 WeakPolarHBondContact OD1-CB 3.33Å; D87-E89 PolarHBondContact OD1-N 3.47Å; D87-E89 VanDerWaalsContact OD1-N 3.08Å; E89-T92 PolarHBondContact O-N 2.84Å; E89-T93 WeakPolarHBondContact O-CB 3.32Å; E89-T93 PolarHBondContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 2.96Å |
| 90 | Q | 77.6 | Confident | 73.7 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176 | -70.6 | 173.2 | -53.3 | 0 | 0 | 111.4 | I86 D87 T92 T93 I94 S108 | I86-Q90 HydrophobicContact CG2-CB 3.5Å; I86-Q90 VanDerWaalsContact CG2-CB 3.5Å; D87-Q90 PolarHBondContact O-N 2.92Å; D87-Q90 WeakPolarHBondContact OD1-CB 3.43Å; D87-Q90 VanDerWaalsContact OD1-CG 3.3Å; D87-Q90 WeakPolarHBondContact OD1-CG 2.92Å; D87-Q90 PolarHBondContact OD1-N 2.78Å; D87-Q90 PolarHBondContact OD2-OE1 2.62Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-T92 PolarHBondContact O-N 2.89Å; Q90-T93 PolarHBondContact O-N 3.04Å; Q90-I94 WeakPolarHBondContact O-CB 3.34Å; Q90-I94 WeakPolarHBondContact O-CD1 3.35Å; Q90-I94 WeakPolarHBondContact O-CG1 3.5Å; Q90-I94 PolarHBondContact O-N 2.89Å; Q90-S108 PolarHBondContact NE2-OG 2.58Å |
| 91 | Q | 83 | Confident | 73.7 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 172.9 | -76 | -62.2 | -13.3 | 0 | 0 | 110.3 | I86 D87 T93 I94 W95 L288 D290 | I86-Q91 HydrophobicContact CB-CG 4.48Å; I86-Q91 HydrophobicContact CG2-CB 4.41Å; I86-Q91 HydrophobicContact CG2-CG 3.68Å; D87-Q91 WeakPolarHBondContact O-CG 3.4Å; D87-Q91 PolarHBondContact O-N 3.31Å; Q91-T93 VanDerWaalsContact C-N 3.31Å; Q91-T93 PolarHBondContact O-N 3.46Å; Q91-I94 WeakPolarHBondContact O-CB 3.38Å; Q91-I94 PolarHBondContact O-N 3.01Å; Q91-W95 PolarHBondContact O-N 3.3Å; Q91-L288 PolarHBondContact NE2-O 3.06Å; Q91-L288 PolarHBondContact OE1-O 2.99Å; Q91-D290 HydrophobicContact CG-CB 4.29Å |
| 92 | T | 84.1 | Confident | 73.9 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 177.5 | -57 | 0 | 0 | 0 | 0 | 111.7 | K88 E89 Q90 W95 R96 | K88-T92 WeakPolarHBondContact O-CB 3.43Å; K88-T92 PolarHBondContact O-N 2.93Å; K88-T92 PolarHBondContact O-OG1 2.54Å; E89-T92 PolarHBondContact O-N 2.84Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-T92 PolarHBondContact O-N 2.89Å; T92-W95 PolarHBondContact O-N 2.96Å; T92-R96 HydrophobicContact CG2-CG 4.44Å; T92-R96 WeakPolarHBondContact O-CB 3.18Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 3.08Å |
| 93 | T | 84.1 | Confident | 74.5 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | E89 Q90 Q91 W95 R96 R97 T104 | E89-T93 WeakPolarHBondContact O-CB 3.32Å; E89-T93 PolarHBondContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 2.96Å; Q90-T93 PolarHBondContact O-N 3.04Å; Q91-T93 VanDerWaalsContact C-N 3.31Å; Q91-T93 PolarHBondContact O-N 3.46Å; T93-W95 VanDerWaalsContact C-N 3.3Å; T93-W95 PolarHBondContact O-N 3.33Å; T93-R96 PolarHBondContact O-N 3.49Å; T93-R97 HydrophobicContact CG2-CG 3.82Å; T93-R97 VanDerWaalsContact O-CB 3.26Å; T93-R97 WeakPolarHBondContact O-CB 3.32Å; T93-R97 WeakPolarHBondContact O-CG 3.25Å; T93-R97 PolarHBondContact O-N 3.37Å; T93-T104 HydrophobicContact CG2-CG2 3.99Å |
| 94 | I | 86.3 | Confident | 75 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 178.3 | -78.4 | 163.8 | 0 | 0 | 0 | 109.3 | I86 Q90 Q91 L375 F376 K397 | I86-I94 HydrophobicContact CD1-CD1 3.82Å; I86-I94 HydrophobicContact CG1-CD1 4.44Å; I86-I94 HydrophobicContact CG2-CD1 3.63Å; Q90-I94 WeakPolarHBondContact O-CB 3.34Å; Q90-I94 WeakPolarHBondContact O-CD1 3.35Å; Q90-I94 WeakPolarHBondContact O-CG1 3.5Å; Q90-I94 PolarHBondContact O-N 2.89Å; Q91-I94 WeakPolarHBondContact O-CB 3.38Å; Q91-I94 PolarHBondContact O-N 3.01Å; I94-L375 HydrophobicContact CG2-CB 3.72Å; I94-F376 HydrophobicContact CB-CD1 4.32Å; I94-F376 HydrophobicContact CD1-CD1 3.78Å; I94-F376 HydrophobicContact CD1-CE1 3.77Å; I94-F376 HydrophobicContact CD1-CG 4.2Å; I94-F376 HydrophobicContact CD1-CZ 4.2Å; I94-F376 HydrophobicContact CG1-CB 4.32Å; I94-F376 HydrophobicContact CG1-CD1 3.84Å; I94-F376 HydrophobicContact CG1-CE1 4.35Å; I94-F376 HydrophobicContact CG1-CG 4.08Å; I94-F376 HydrophobicContact CG2-CD1 3.5Å; I94-F376 VanDerWaalsContact CG2-CD1 3.5Å; I94-F376 HydrophobicContact CG2-CE1 4.08Å; I94-F376 HydrophobicContact CG2-CG 4.36Å; I94-K397 WeakPolarHBondContact O-CE 3.17Å; I94-K397 PolarHBondContact O-NZ 3.25Å |
| 95 | W | 89 | Confident | 75.4 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.8 | -41.4 | -179.9 | -75.1 | 110.8 | 0 | 0 | 0 | 114.1 | Q91 T92 T93 F285 A289 D290 W291 A294 L375 K397 | Q91-W95 PolarHBondContact O-N 3.3Å; T92-W95 PolarHBondContact O-N 2.96Å; T93-W95 VanDerWaalsContact C-N 3.3Å; T93-W95 PolarHBondContact O-N 3.33Å; W95-F285 AromaticContact CH2-CD2 3.63Å; W95-F285 HydrophobicContact CH2-CD2 3.63Å; W95-F285 AromaticContact CH2-CE2 3.81Å; W95-F285 HydrophobicContact CH2-CE2 3.81Å; W95-F285 HydrophobicContact CZ2-CD2 4.5Å; W95-F285 HydrophobicContact CZ3-CD2 4.21Å; W95-F285 AromaticContact CZ3-CE2 3.94Å; W95-F285 HydrophobicContact CZ3-CE2 3.94Å; W95-A289 HydrophobicContact CZ2-CB 4.37Å; W95-D290 PolarHBondContact NE1-O 3.21Å; W95-W291 AromaticContact CH2-CD2 3.89Å; W95-W291 HydrophobicContact CH2-CD2 3.89Å; W95-W291 AromaticContact CH2-CE3 3.64Å; W95-W291 HydrophobicContact CH2-CE3 3.64Å; W95-W291 AromaticContact CH2-CH2 3.94Å; W95-W291 HydrophobicContact CH2-CH2 3.94Å; W95-W291 HydrophobicContact CH2-CZ2 4.17Å; W95-W291 AromaticContact CH2-CZ3 3.67Å; W95-W291 HydrophobicContact CH2-CZ3 3.67Å; W95-W291 HydrophobicContact CZ2-CD2 4.14Å; W95-W291 HydrophobicContact CZ2-CE3 4.14Å; W95-W291 HydrophobicContact CZ2-CG 4.47Å; W95-W291 HydrophobicContact CZ3-CE3 4.34Å; W95-W291 HydrophobicContact CZ3-CH2 4.44Å; W95-W291 HydrophobicContact CZ3-CZ3 4.07Å; W95-A294 HydrophobicContact CD2-CB 3.62Å; W95-A294 HydrophobicContact CE3-CB 3.79Å; W95-A294 HydrophobicContact CG-CB 4.08Å; W95-A294 HydrophobicContact CH2-CB 4.1Å; W95-A294 HydrophobicContact CZ2-CB 3.98Å; W95-A294 HydrophobicContact CZ3-CB 4.01Å; W95-L375 HydrophobicContact CD2-CD2 4.43Å; W95-L375 HydrophobicContact CE3-CD2 3.89Å; W95-L375 HydrophobicContact CH2-CD1 4.48Å; W95-L375 HydrophobicContact CH2-CD2 4.14Å; W95-L375 HydrophobicContact CZ2-CD1 4.39Å; W95-L375 HydrophobicContact CZ3-CD2 3.73Å; W95-K397 WeakPolarHBondContact O-CE 3.5Å |
| 96 | R | 88.1 | Confident | 75.7 | Confident | 155 Ų | 155 | 64.6 Ų | 64.6 | 59% | 0.585 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -86.3 | -20.4 | -172.4 | -67.7 | -177.5 | -178.4 | -106.5 | -0.2 | 114.6 | T92 T93 P295 | T92-R96 HydrophobicContact CG2-CG 4.44Å; T92-R96 WeakPolarHBondContact O-CB 3.18Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 3.08Å; T93-R96 PolarHBondContact O-N 3.49Å; R96-P295 HydrophobicContact CG-CG 3.99Å |
| 97 | R | 84.7 | Confident | 75.7 | Confident | 158 Ų | 158 | 70.7 Ų | 70.7 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -99.6 | 156 | 179 | -60.2 | -62.3 | -174.1 | 172 | -1 | 110.9 | T93 K397 T398 | T93-R97 HydrophobicContact CG2-CG 3.82Å; T93-R97 VanDerWaalsContact O-CB 3.26Å; T93-R97 WeakPolarHBondContact O-CB 3.32Å; T93-R97 WeakPolarHBondContact O-CG 3.25Å; T93-R97 PolarHBondContact O-N 3.37Å; R97-K397 VanDerWaalsContact O-CE 3.29Å; R97-K397 WeakPolarHBondContact O-CE 3.34Å; R97-K397 PolarHBondContact O-NZ 2.7Å; R97-T398 VanDerWaalsContact C-CG2 3.46Å |
| 98 | R | 79.7 | Confident | 75.3 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | trans | -58.2 | 143.8 | 168.5 | -75.5 | -168.8 | 176.9 | -173.6 | 7.2 | 109.2 | V100 E187 D396 T398 | R98-V100 PolarHBondContact O-N 2.66Å; R98-V100 VanDerWaalsContact O-N 3.16Å; R98-E187 IonicContact NH1-OE1 3.65Å; R98-E187 PolarHBondContact NH1-OE1 3.16Å; R98-D396 IonicContact CZ-OD2 3.2Å; R98-D396 IonicContact NE-OD2 2.56Å; R98-D396 PolarHBondContact NE-OD2 2.83Å; R98-D396 IonicContact NH2-OD2 3.69Å; R98-T398 HydrophobicContact CG-CG2 3.95Å | ||
| 99 | G | 65.6 | Low | 74.8 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -61.7 | -23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N101 L375 V380 | G99-N101 PolarHBondContact O-N 2.7Å; G99-L375 WeakPolarHBondContact CA-O 3.34Å; G99-V380 VanDerWaalsContact C-CG2 3.48Å |
| 100 | V | 63.6 | Low | 74.3 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | trans | -75.8 | 66.3 | 173.2 | -169 | 0 | 0 | 0 | 0 | 110.1 | R98 S185 V380 | R98-V100 PolarHBondContact O-N 2.66Å; R98-V100 VanDerWaalsContact O-N 3.16Å; V100-S185 WeakPolarHBondContact CG1-O 3.36Å; V100-V380 HydrophobicContact CG2-CG1 3.94Å | ||
| 101 | N | 67.1 | Low | 73.8 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | trans | -134 | 98.7 | 172.4 | -170.5 | -17.7 | 0 | 0 | 0 | 110.7 | G99 W103 T104 F105 | G99-N101 PolarHBondContact O-N 2.7Å; N101-W103 PolarHBondContact O-N 2.8Å; N101-W103 WeakPolarHBondContact OD1-CB 3.24Å; N101-W103 PolarHBondContact OD1-N 3.4Å; N101-T104 VanDerWaalsContact CG-OG1 3.31Å; N101-T104 PolarHBondContact ND2-OG1 3.03Å; N101-T104 VanDerWaalsContact ND2-OG1 3.14Å; N101-T104 PolarHBondContact O-N 3.43Å; N101-T104 PolarHBondContact OD1-N 2.96Å; N101-F105 PolarHBondContact O-N 2.9Å | ||
| 102 | P | 64 | Low | 72.8 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 24% | 0.24 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 178.7 | 22.8 | -31.7 | 0 | 0 | 0 | 111.3 | T104 F105 L106 V206 | P102-T104 PolarHBondContact O-N 3.47Å; P102-F105 WeakPolarHBondContact O-CB 3.41Å; P102-F105 PolarHBondContact O-N 2.76Å; P102-F105 VanDerWaalsContact O-N 3.17Å; P102-L106 VanDerWaalsContact O-CG 3.27Å; P102-L106 WeakPolarHBondContact O-CG 3.47Å; P102-L106 PolarHBondContact O-N 3.41Å; P102-V206 HydrophobicContact CB-CG1 4.32Å |
| 103 | W | 67.3 | Low | 71.9 | Confident | 166 Ų | 166 | 60.4 Ų | 60.4 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | -179.3 | -65.6 | 123.2 | 0 | 0 | 0 | 113.9 | N101 F105 L106 K107 | N101-W103 PolarHBondContact O-N 2.8Å; N101-W103 WeakPolarHBondContact OD1-CB 3.24Å; N101-W103 PolarHBondContact OD1-N 3.4Å; W103-F105 VanDerWaalsContact C-N 3.35Å; W103-L106 HydrophobicContact CE3-CD1 3.8Å; W103-L106 HydrophobicContact CZ3-CD1 3.74Å; W103-L106 PolarHBondContact O-N 3.35Å; W103-K107 WeakPolarHBondContact O-CB 3.33Å; W103-K107 WeakPolarHBondContact O-CG 3.24Å; W103-K107 PolarHBondContact O-N 3.3Å |
| 104 | T | 67.5 | Low | 71 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 14% | 0.135 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | T93 N101 P102 K107 S108 | T93-T104 HydrophobicContact CG2-CG2 3.99Å; N101-T104 VanDerWaalsContact CG-OG1 3.31Å; N101-T104 PolarHBondContact ND2-OG1 3.03Å; N101-T104 VanDerWaalsContact ND2-OG1 3.14Å; N101-T104 PolarHBondContact O-N 3.43Å; N101-T104 PolarHBondContact OD1-N 2.96Å; P102-T104 PolarHBondContact O-N 3.47Å; T104-K107 PolarHBondContact O-N 2.63Å; T104-S108 PolarHBondContact O-N 2.99Å; T104-S108 PolarHBondContact O-OG 3.18Å; T104-S108 VanDerWaalsContact O-OG 3.09Å |
| 105 | F | 67.3 | Low | 69.9 | Low | 66 Ų | 66 | 60.8 Ų | 60.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.3 | 177 | -98.8 | 0 | 0 | 0 | 111.5 | N101 P102 W103 K107 S108 A109 M184 | N101-F105 PolarHBondContact O-N 2.9Å; P102-F105 WeakPolarHBondContact O-CB 3.41Å; P102-F105 PolarHBondContact O-N 2.76Å; P102-F105 VanDerWaalsContact O-N 3.17Å; W103-F105 VanDerWaalsContact C-N 3.35Å; F105-K107 PolarHBondContact O-N 3.36Å; F105-S108 PolarHBondContact O-N 3.33Å; F105-A109 VanDerWaalsContact O-CB 3.3Å; F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.46Å; F105-M184 HydrophobicContact CD1-CE 3.91Å; F105-M184 HydrophobicContact CE1-CE 3.89Å; F105-M184 HydrophobicContact CG-CE 4.31Å; F105-M184 HydrophobicContact CZ-CE 4.26Å |
| 106 | L | 67.5 | Low | 68.6 | Low | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.6 | -65.9 | -171.4 | 0 | 0 | 0 | 112.2 | P102 W103 A109 W110 V206 F210 | P102-L106 VanDerWaalsContact O-CG 3.27Å; P102-L106 WeakPolarHBondContact O-CG 3.47Å; P102-L106 PolarHBondContact O-N 3.41Å; W103-L106 HydrophobicContact CE3-CD1 3.8Å; W103-L106 HydrophobicContact CZ3-CD1 3.74Å; W103-L106 PolarHBondContact O-N 3.35Å; L106-A109 PolarHBondContact O-N 3.05Å; L106-W110 WeakPolarHBondContact O-CB 3.47Å; L106-W110 PolarHBondContact O-N 3.03Å; L106-V206 HydrophobicContact CD1-CG1 4.21Å; L106-F210 HydrophobicContact CB-CD2 4.13Å; L106-F210 HydrophobicContact CB-CE2 4.18Å; L106-F210 HydrophobicContact CD1-CB 3.92Å; L106-F210 HydrophobicContact CD1-CD2 3.88Å; L106-F210 HydrophobicContact CD1-CG 4.07Å; L106-F210 HydrophobicContact CD2-CB 3.83Å; L106-F210 HydrophobicContact CD2-CD1 3.56Å; L106-F210 HydrophobicContact CD2-CD2 3.31Å; L106-F210 HydrophobicContact CD2-CE1 3.87Å; L106-F210 HydrophobicContact CD2-CE2 3.63Å; L106-F210 HydrophobicContact CD2-CG 3.25Å; L106-F210 HydrophobicContact CD2-CZ 3.9Å; L106-F210 HydrophobicContact CG-CD2 3.93Å; L106-F210 HydrophobicContact CG-CE2 4.34Å; L106-F210 HydrophobicContact CG-CG 4.18Å |
| 107 | K | 69.4 | Low | 67.3 | Low | 148 Ų | 148 | 58.1 Ų | 58.1 | 64% | 0.643 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 175.3 | -78.8 | -176.6 | 177.9 | -172 | 0 | 111.8 | W103 T104 F105 W110 K111 | W103-K107 WeakPolarHBondContact O-CB 3.33Å; W103-K107 WeakPolarHBondContact O-CG 3.24Å; W103-K107 PolarHBondContact O-N 3.3Å; T104-K107 PolarHBondContact O-N 2.63Å; F105-K107 PolarHBondContact O-N 3.36Å; K107-W110 PolarHBondContact O-N 3.49Å; K107-K111 PolarHBondContact O-N 3.17Å |
| 108 | S | 67.4 | Low | 66.3 | Low | 15 Ų | 15 | 59.2 Ų | 59.2 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | Q90 T104 F105 W110 K111 I112 | Q90-S108 PolarHBondContact NE2-OG 2.58Å; T104-S108 PolarHBondContact O-N 2.99Å; T104-S108 PolarHBondContact O-OG 3.18Å; T104-S108 VanDerWaalsContact O-OG 3.09Å; F105-S108 PolarHBondContact O-N 3.33Å; S108-W110 VanDerWaalsContact C-N 3.3Å; S108-W110 PolarHBondContact O-N 3.48Å; S108-K111 PolarHBondContact O-N 2.93Å; S108-I112 WeakPolarHBondContact O-CB 3.21Å; S108-I112 WeakPolarHBondContact O-CD1 3.44Å; S108-I112 VanDerWaalsContact O-CG1 3.23Å; S108-I112 WeakPolarHBondContact O-CG1 3.28Å; S108-I112 PolarHBondContact O-N 3.14Å |
| 109 | A | 67.7 | Low | 65.4 | Low | 22 Ų | 22 | 55 Ų | 55 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | F105 L106 I112 S113 F210 | F105-A109 VanDerWaalsContact O-CB 3.3Å; F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.46Å; L106-A109 PolarHBondContact O-N 3.05Å; A109-I112 PolarHBondContact O-N 2.83Å; A109-S113 VanDerWaalsContact O-CB 3.27Å; A109-S113 WeakPolarHBondContact O-CB 3.43Å; A109-S113 PolarHBondContact O-N 3.38Å; A109-S113 PolarHBondContact O-OG 2.63Å; A109-F210 HydrophobicContact CB-CZ 4.17Å |
| 110 | W | 68.4 | Low | 65 | Low | 85 Ų | 85 | 57.1 Ų | 57.1 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 176.5 | -176.1 | -90.3 | 0 | 0 | 0 | 112.6 | L106 K107 S108 I112 S113 T114 L213 L217 | L106-W110 WeakPolarHBondContact O-CB 3.47Å; L106-W110 PolarHBondContact O-N 3.03Å; K107-W110 PolarHBondContact O-N 3.49Å; S108-W110 VanDerWaalsContact C-N 3.3Å; S108-W110 PolarHBondContact O-N 3.48Å; W110-I112 VanDerWaalsContact C-N 3.34Å; W110-I112 PolarHBondContact O-N 2.71Å; W110-S113 WeakPolarHBondContact O-CB 3.42Å; W110-S113 PolarHBondContact O-N 3.13Å; W110-T114 HydrophobicContact CD2-CG2 4.47Å; W110-T114 HydrophobicContact CG-CG2 4.45Å; W110-T114 WeakPolarHBondContact O-CG2 3.33Å; W110-T114 PolarHBondContact O-N 2.86Å; W110-T114 PolarHBondContact O-OG1 3.41Å; W110-L213 HydrophobicContact CH2-CG 4.42Å; W110-L213 HydrophobicContact CZ3-CD2 4.18Å; W110-L213 HydrophobicContact CZ3-CG 4.16Å; W110-L217 HydrophobicContact CD2-CD1 4.07Å; W110-L217 HydrophobicContact CE3-CD1 3.69Å; W110-L217 HydrophobicContact CH2-CD1 3.06Å; W110-L217 HydrophobicContact CH2-CD2 3.88Å; W110-L217 HydrophobicContact CH2-CG 3.39Å; W110-L217 HydrophobicContact CZ2-CD1 3.43Å; W110-L217 VanDerWaalsContact CZ2-CD1 3.43Å; W110-L217 HydrophobicContact CZ2-CD2 4.07Å; W110-L217 HydrophobicContact CZ2-CG 4Å; W110-L217 HydrophobicContact CZ3-CD1 3.18Å; W110-L217 HydrophobicContact CZ3-CG 3.8Å |
| 111 | K | 67.1 | Low | 64.9 | Low | 84 Ų | 84 | 60.5 Ų | 60.5 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.4 | -50.3 | 177.3 | -82.3 | -176 | 171.6 | -178.2 | 0 | 111 | D87 K107 S108 S113 T114 A115 | D87-K111 IonicContact OD2-NZ 3.26Å; D87-K111 PolarHBondContact OD2-NZ 3.41Å; K107-K111 PolarHBondContact O-N 3.17Å; S108-K111 PolarHBondContact O-N 2.93Å; K111-S113 VanDerWaalsContact C-N 3.35Å; K111-S113 PolarHBondContact O-N 3.34Å; K111-T114 PolarHBondContact O-N 3.07Å; K111-T114 PolarHBondContact O-OG1 2.97Å; K111-A115 WeakPolarHBondContact O-CB 3.4Å; K111-A115 PolarHBondContact O-N 3.06Å |
| 112 | I | 63.9 | Low | 64.8 | Low | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -46 | 178.4 | -66.4 | 166 | 0 | 0 | 0 | 110.9 | M33 L85 S108 A109 W110 T114 A115 S116 | M33-I112 HydrophobicContact CG-CG2 3.99Å; M33-I112 HydrophobicContact SD-CD1 3.94Å; M33-I112 HydrophobicContact SD-CG2 4.45Å; L85-I112 HydrophobicContact CD2-CD1 3.93Å; L85-I112 HydrophobicContact CD2-CG1 3.96Å; L85-I112 HydrophobicContact CD2-CG2 4.27Å; S108-I112 WeakPolarHBondContact O-CB 3.21Å; S108-I112 WeakPolarHBondContact O-CD1 3.44Å; S108-I112 VanDerWaalsContact O-CG1 3.23Å; S108-I112 WeakPolarHBondContact O-CG1 3.28Å; S108-I112 PolarHBondContact O-N 3.14Å; A109-I112 PolarHBondContact O-N 2.83Å; W110-I112 VanDerWaalsContact C-N 3.34Å; W110-I112 PolarHBondContact O-N 2.71Å; I112-T114 PolarHBondContact O-N 3.27Å; I112-A115 PolarHBondContact O-N 3.4Å; I112-S116 PolarHBondContact O-N 3.21Å; I112-S116 PolarHBondContact O-OG 2.67Å |
| 113 | S | 64 | Low | 64.8 | Low | 8 Ų | 8 | 67.3 Ų | 67.3 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | -179.6 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | A109 W110 K111 F117 H146 F214 | A109-S113 VanDerWaalsContact O-CB 3.27Å; A109-S113 WeakPolarHBondContact O-CB 3.43Å; A109-S113 PolarHBondContact O-N 3.38Å; A109-S113 PolarHBondContact O-OG 2.63Å; W110-S113 WeakPolarHBondContact O-CB 3.42Å; W110-S113 PolarHBondContact O-N 3.13Å; K111-S113 VanDerWaalsContact C-N 3.35Å; K111-S113 PolarHBondContact O-N 3.34Å; S113-F117 VanDerWaalsContact O-CB 3.3Å; S113-F117 WeakPolarHBondContact O-CB 3.25Å; S113-F117 PolarHBondContact O-N 3.48Å; S113-H146 PolarHBondContact OG-CE1 3.14Å; S113-F214 VanDerWaalsContact CB-CE2 3.46Å; S113-F214 WeakPolarHBondContact OG-CE2 3.4Å; S113-F214 WeakPolarHBondContact OG-CZ 3.32Å |
| 114 | T | 65.2 | Low | 64.5 | Low | 26 Ų | 26 | 66 Ų | 66 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 177.1 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | W110 K111 I112 F117 R118 L217 | W110-T114 HydrophobicContact CD2-CG2 4.47Å; W110-T114 HydrophobicContact CG-CG2 4.45Å; W110-T114 WeakPolarHBondContact O-CG2 3.33Å; W110-T114 PolarHBondContact O-N 2.86Å; W110-T114 PolarHBondContact O-OG1 3.41Å; K111-T114 PolarHBondContact O-N 3.07Å; K111-T114 PolarHBondContact O-OG1 2.97Å; I112-T114 PolarHBondContact O-N 3.27Å; T114-F117 PolarHBondContact O-N 3.49Å; T114-R118 WeakPolarHBondContact O-CB 3.38Å; T114-R118 WeakPolarHBondContact O-CG 3.41Å; T114-R118 PolarHBondContact O-N 3.3Å; T114-L217 HydrophobicContact CG2-CD1 4.32Å |
| 115 | A | 64.4 | Low | 64.5 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A83 K111 I112 F117 R118 S119 | A83-A115 HydrophobicContact CB-CB 4.43Å; K111-A115 WeakPolarHBondContact O-CB 3.4Å; K111-A115 PolarHBondContact O-N 3.06Å; I112-A115 PolarHBondContact O-N 3.4Å; A115-F117 PolarHBondContact O-N 3.47Å; A115-R118 PolarHBondContact O-N 2.89Å; A115-S119 WeakPolarHBondContact O-CB 3.31Å; A115-S119 PolarHBondContact O-N 3.37Å |
| 116 | S | 60.9 | Low | 64.6 | Low | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 175 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | I112 S119 R120 | I112-S116 PolarHBondContact O-N 3.21Å; I112-S116 PolarHBondContact O-OG 2.67Å; S116-S119 PolarHBondContact O-OG 3.44Å; S116-S119 VanDerWaalsContact O-OG 3.13Å; S116-R120 PolarHBondContact O-N 3.12Å |
| 117 | F | 61.5 | Low | 64.7 | Low | 84 Ų | 84 | 69.9 Ų | 69.9 | 37% | 0.368 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 174.8 | -179.6 | -94.4 | 0 | 0 | 0 | 112 | S113 T114 A115 R120 H121 L218 | S113-F117 VanDerWaalsContact O-CB 3.3Å; S113-F117 WeakPolarHBondContact O-CB 3.25Å; S113-F117 PolarHBondContact O-N 3.48Å; T114-F117 PolarHBondContact O-N 3.49Å; A115-F117 PolarHBondContact O-N 3.47Å; F117-R120 WeakPolarHBondContact O-CB 3.25Å; F117-R120 PolarHBondContact O-N 2.97Å; F117-H121 AromaticContact CE1-CE1 3.64Å; F117-H121 AromaticContact CE1-ND1 3.97Å; F117-H121 AromaticContact CE2-CE1 3.72Å; F117-H121 AromaticContact CZ-CE1 3.39Å; F117-H121 WeakPolarHBondContact CZ-CE1 3.18Å; F117-H121 PolarHBondContact O-ND1 2.89Å; F117-L218 HydrophobicContact CD2-CD2 3.54Å; F117-L218 HydrophobicContact CE2-CD2 3.98Å; F117-L218 HydrophobicContact CG-CD2 4.46Å |
| 118 | R | 62.5 | Low | 64.9 | Low | 180 Ų | 180 | 64 Ų | 64 | 68% | 0.679 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 175.8 | -75.2 | 171.9 | -174.6 | 165.7 | 0.9 | 111.7 | T114 A115 R120 H121 N122 | T114-R118 WeakPolarHBondContact O-CB 3.38Å; T114-R118 WeakPolarHBondContact O-CG 3.41Å; T114-R118 PolarHBondContact O-N 3.3Å; A115-R118 PolarHBondContact O-N 2.89Å; R118-R120 PolarHBondContact O-N 3.45Å; R118-H121 CarbonylContact O-C 3.55Å; R118-H121 WeakPolarHBondContact O-CA 3.47Å; R118-H121 PolarHBondContact O-N 2.77Å; R118-N122 PolarHBondContact O-N 3.37Å; R118-N122 VanDerWaalsContact O-N 3.15Å |
| 119 | S | 60.5 | Low | 65.1 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -34 | 178.6 | 92 | 0 | 0 | 0 | 0 | 111.4 | A115 S116 H121 N122 Q125 | A115-S119 WeakPolarHBondContact O-CB 3.31Å; A115-S119 PolarHBondContact O-N 3.37Å; S116-S119 PolarHBondContact O-OG 3.44Å; S116-S119 VanDerWaalsContact O-OG 3.13Å; S119-H121 PolarHBondContact O-N 3.18Å; S119-N122 WeakPolarHBondContact O-CB 3.48Å; S119-N122 PolarHBondContact O-N 2.92Å; S119-N122 VanDerWaalsContact O-N 3.12Å; S119-Q125 VanDerWaalsContact C-OE1 3.24Å; S119-Q125 VanDerWaalsContact O-CB 3.3Å; S119-Q125 WeakPolarHBondContact O-CB 3.36Å; S119-Q125 PolarHBondContact O-OE1 2.9Å; S119-Q125 PolarHBondContact OG-OE1 3.38Å |
| 120 | R | 58 | Low | 65.3 | Low | 57 Ų | 57 | 68.9 Ų | 68.9 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.1 | 172.6 | -169.7 | -176.5 | -62 | 169.8 | -1.6 | 114.6 | S116 F117 R118 Y129 H146 T149 | S116-R120 PolarHBondContact O-N 3.12Å; F117-R120 WeakPolarHBondContact O-CB 3.25Å; F117-R120 PolarHBondContact O-N 2.97Å; R118-R120 PolarHBondContact O-N 3.45Å; R120-Y129 VanDerWaalsContact CA-CE2 3.49Å; R120-Y129 HydrophobicContact CB-CD2 4.45Å; R120-Y129 HydrophobicContact CB-CE2 3.85Å; R120-Y129 HydrophobicContact CG-CD1 4.32Å; R120-Y129 HydrophobicContact CG-CD2 3.93Å; R120-Y129 HydrophobicContact CG-CE1 4.06Å; R120-Y129 HydrophobicContact CG-CE2 3.72Å; R120-Y129 HydrophobicContact CG-CG 4.25Å; R120-H146 PolarHBondContact NH2-O 3.09Å; R120-T149 VanDerWaalsContact NH1-CG2 3.3Å |
| 121 | H | 60.9 | Low | 65.5 | Low | 118 Ų | 118 | 68.8 Ų | 68.8 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 2.1 | -179.6 | -59.3 | 82.7 | 0 | 0 | 0 | 112.4 | F117 R118 S119 | F117-H121 AromaticContact CE1-CE1 3.64Å; F117-H121 AromaticContact CE1-ND1 3.97Å; F117-H121 AromaticContact CE2-CE1 3.72Å; F117-H121 AromaticContact CZ-CE1 3.39Å; F117-H121 WeakPolarHBondContact CZ-CE1 3.18Å; F117-H121 PolarHBondContact O-ND1 2.89Å; R118-H121 CarbonylContact O-C 3.55Å; R118-H121 WeakPolarHBondContact O-CA 3.47Å; R118-H121 PolarHBondContact O-N 2.77Å; S119-H121 PolarHBondContact O-N 3.18Å |
| 122 | N | 66.4 | Low | 65.8 | Low | 57 Ų | 57 | 65.4 Ų | 65.4 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -71.9 | 130.8 | 171.6 | -172.6 | 2.3 | 0 | 0 | 0 | 108.9 | R118 S119 D124 Q125 V126 | R118-N122 PolarHBondContact O-N 3.37Å; R118-N122 VanDerWaalsContact O-N 3.15Å; S119-N122 WeakPolarHBondContact O-CB 3.48Å; S119-N122 PolarHBondContact O-N 2.92Å; S119-N122 VanDerWaalsContact O-N 3.12Å; N122-D124 PolarHBondContact O-N 3.47Å; N122-Q125 PolarHBondContact O-N 2.83Å; N122-V126 WeakPolarHBondContact O-CG2 3.1Å; N122-V126 PolarHBondContact O-N 3.07Å; N122-V126 VanDerWaalsContact O-N 3.09Å |
| 123 | E | 62.6 | Low | 66.1 | Low | 172 Ų | 172 | 67.9 Ų | 67.9 | 80% | 0.804 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -52.6 | -39.7 | -177.9 | -66.7 | -177.1 | 172.5 | 0 | 0 | 111.7 | Q125 V126 | E123-Q125 PolarHBondContact O-N 2.6Å; E123-V126 PolarHBondContact O-N 2.75Å |
| 124 | D | 62.5 | Low | 66.6 | Low | 137 Ų | 137 | 71.5 Ų | 71.5 | 73% | 0.733 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.3 | -23.9 | 177.3 | -60.9 | -32.5 | 0 | 0 | 0 | 114 | N122 | N122-D124 PolarHBondContact O-N 3.47Å |
| 125 | Q | 67 | Low | 67.1 | Low | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -105.3 | -12.2 | -179.1 | -62.3 | -164.1 | -3.8 | 0 | 0 | 113.2 | L78 P79 S119 N122 E123 E127 F128 Y129 | L78-Q125 HydrophobicContact CD2-CG 4.49Å; P79-Q125 PolarHBondContact O-NE2 3.18Å; S119-Q125 VanDerWaalsContact C-OE1 3.24Å; S119-Q125 VanDerWaalsContact O-CB 3.3Å; S119-Q125 WeakPolarHBondContact O-CB 3.36Å; S119-Q125 PolarHBondContact O-OE1 2.9Å; S119-Q125 PolarHBondContact OG-OE1 3.38Å; N122-Q125 PolarHBondContact O-N 2.83Å; E123-Q125 PolarHBondContact O-N 2.6Å; Q125-E127 PolarHBondContact O-N 3.09Å; Q125-F128 WeakPolarHBondContact O-CB 3.42Å; Q125-F128 PolarHBondContact O-N 3.13Å; Q125-Y129 HydrophobicContact CB-CE2 4.41Å; Q125-Y129 VanDerWaalsContact O-CD2 3.3Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.19Å; Q125-Y129 PolarHBondContact O-N 3.49Å; Q125-Y129 VanDerWaalsContact O-N 3.11Å |
| 126 | V | 68.5 | Low | 67.9 | Low | 55 Ų | 55 | 84.1 Ų | 84.1 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | N122 E123 F128 Y129 Q130 | N122-V126 WeakPolarHBondContact O-CG2 3.1Å; N122-V126 PolarHBondContact O-N 3.07Å; N122-V126 VanDerWaalsContact O-N 3.09Å; E123-V126 PolarHBondContact O-N 2.75Å; V126-F128 VanDerWaalsContact C-N 3.32Å; V126-F128 PolarHBondContact O-N 3.24Å; V126-Y129 PolarHBondContact O-N 3.32Å; V126-Q130 HydrophobicContact CG1-CG 4.25Å; V126-Q130 WeakPolarHBondContact O-CB 3.36Å; V126-Q130 WeakPolarHBondContact O-CG 3.22Å; V126-Q130 PolarHBondContact O-N 2.81Å |
| 127 | E | 69.7 | Low | 69.1 | Low | 127 Ų | 127 | 84 Ų | 84 | 59% | 0.593 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 176.3 | -163.8 | -163.6 | 151 | 0 | 0 | 111.9 | Q125 Y129 Q130 N131 | Q125-E127 PolarHBondContact O-N 3.09Å; E127-Y129 PolarHBondContact O-N 3.4Å; E127-Q130 PolarHBondContact O-N 3.04Å; E127-N131 WeakPolarHBondContact O-CB 3.39Å; E127-N131 PolarHBondContact O-N 3.28Å; E127-N131 PolarHBondContact O-ND2 2.82Å; E127-N131 PolarHBondContact OE1-ND2 2.87Å |
| 128 | F | 74.3 | Confident | 70.5 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 174.7 | 161 | -93.5 | 0 | 0 | 0 | 111.4 | V59 I76 L78 Q125 V126 Q130 N131 L132 | V59-F128 HydrophobicContact CG1-CZ 4.1Å; V59-F128 HydrophobicContact CG2-CE2 4.43Å; V59-F128 HydrophobicContact CG2-CZ 4.08Å; I76-F128 HydrophobicContact CB-CE2 4.25Å; I76-F128 HydrophobicContact CG2-CD2 3.67Å; I76-F128 HydrophobicContact CG2-CE2 3.44Å; I76-F128 VanDerWaalsContact CG2-CE2 3.44Å; L78-F128 HydrophobicContact CD1-CD1 3.87Å; L78-F128 HydrophobicContact CD1-CD2 4.24Å; L78-F128 HydrophobicContact CD1-CE1 3.61Å; L78-F128 HydrophobicContact CD1-CE2 3.98Å; L78-F128 HydrophobicContact CD1-CG 4.2Å; L78-F128 HydrophobicContact CD1-CZ 3.67Å; L78-F128 HydrophobicContact CD2-CB 3.85Å; L78-F128 HydrophobicContact CD2-CD1 3.94Å; L78-F128 HydrophobicContact CD2-CD2 3.72Å; L78-F128 HydrophobicContact CD2-CE1 4.48Å; L78-F128 HydrophobicContact CD2-CE2 4.25Å; L78-F128 HydrophobicContact CD2-CG 3.55Å; L78-F128 HydrophobicContact CG-CD1 4.46Å; L78-F128 HydrophobicContact CG-CD2 4.17Å; L78-F128 HydrophobicContact CG-CE2 4.21Å; L78-F128 HydrophobicContact CG-CG 4.31Å; L78-F128 HydrophobicContact CG-CZ 4.4Å; Q125-F128 WeakPolarHBondContact O-CB 3.42Å; Q125-F128 PolarHBondContact O-N 3.13Å; V126-F128 VanDerWaalsContact C-N 3.32Å; V126-F128 PolarHBondContact O-N 3.24Å; F128-Q130 VanDerWaalsContact C-N 3.32Å; F128-Q130 PolarHBondContact O-N 3.23Å; F128-N131 PolarHBondContact O-N 3.22Å; F128-L132 HydrophobicContact CE1-CD2 4.24Å; F128-L132 HydrophobicContact CE2-CD1 4.2Å; F128-L132 HydrophobicContact CZ-CD1 3.93Å; F128-L132 HydrophobicContact CZ-CD2 4.2Å; F128-L132 HydrophobicContact CZ-CG 4.5Å; F128-L132 VanDerWaalsContact O-CB 3.31Å; F128-L132 WeakPolarHBondContact O-CB 3.15Å; F128-L132 PolarHBondContact O-N 2.9Å |
| 129 | Y | 71.6 | Confident | 71.8 | Confident | 22 Ų | 22 | 73.8 Ų | 73.8 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -33 | -179.7 | -75.3 | -79.6 | 0 | 0 | 0 | 111.9 | R120 Q125 V126 E127 L132 T133 T149 | R120-Y129 VanDerWaalsContact CA-CE2 3.49Å; R120-Y129 HydrophobicContact CB-CD2 4.45Å; R120-Y129 HydrophobicContact CB-CE2 3.85Å; R120-Y129 HydrophobicContact CG-CD1 4.32Å; R120-Y129 HydrophobicContact CG-CD2 3.93Å; R120-Y129 HydrophobicContact CG-CE1 4.06Å; R120-Y129 HydrophobicContact CG-CE2 3.72Å; R120-Y129 HydrophobicContact CG-CG 4.25Å; Q125-Y129 HydrophobicContact CB-CE2 4.41Å; Q125-Y129 VanDerWaalsContact O-CD2 3.3Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.19Å; Q125-Y129 PolarHBondContact O-N 3.49Å; Q125-Y129 VanDerWaalsContact O-N 3.11Å; V126-Y129 PolarHBondContact O-N 3.32Å; E127-Y129 PolarHBondContact O-N 3.4Å; Y129-L132 HydrophobicContact CD1-CD2 4.46Å; Y129-L132 PolarHBondContact O-N 2.91Å; Y129-T133 WeakPolarHBondContact O-CB 3.46Å; Y129-T133 WeakPolarHBondContact O-CG2 3.35Å; Y129-T133 PolarHBondContact O-N 3.46Å; Y129-T133 PolarHBondContact O-OG1 3.34Å; Y129-T149 HydrophobicContact CE1-CG2 4.24Å |
| 130 | Q | 72.3 | Confident | 73.2 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 171 | -73.8 | 176.5 | -7.6 | 0 | 0 | 111.4 | V126 E127 F128 L132 T133 A134 | V126-Q130 HydrophobicContact CG1-CG 4.25Å; V126-Q130 WeakPolarHBondContact O-CB 3.36Å; V126-Q130 WeakPolarHBondContact O-CG 3.22Å; V126-Q130 PolarHBondContact O-N 2.81Å; E127-Q130 PolarHBondContact O-N 3.04Å; F128-Q130 VanDerWaalsContact C-N 3.32Å; F128-Q130 PolarHBondContact O-N 3.23Å; Q130-L132 VanDerWaalsContact C-N 3.33Å; Q130-L132 PolarHBondContact O-N 3.24Å; Q130-T133 WeakPolarHBondContact CA-OG1 3.45Å; Q130-T133 PolarHBondContact O-N 2.88Å; Q130-T133 PolarHBondContact O-OG1 2.87Å; Q130-A134 VanDerWaalsContact O-CB 3.22Å; Q130-A134 WeakPolarHBondContact O-CB 3.46Å; Q130-A134 PolarHBondContact O-N 2.87Å |
| 131 | N | 71 | Confident | 74.8 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 176 | -79.2 | -30.7 | 0 | 0 | 0 | 112.3 | E127 F128 A134 R135 | E127-N131 WeakPolarHBondContact O-CB 3.39Å; E127-N131 PolarHBondContact O-N 3.28Å; E127-N131 PolarHBondContact O-ND2 2.82Å; E127-N131 PolarHBondContact OE1-ND2 2.87Å; F128-N131 PolarHBondContact O-N 3.22Å; N131-A134 PolarHBondContact O-N 3.35Å; N131-R135 WeakPolarHBondContact O-CG 3.42Å; N131-R135 PolarHBondContact O-N 3.33Å |
| 132 | L | 74.3 | Confident | 76 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 175.6 | -161.8 | 75.8 | 0 | 0 | 0 | 111.3 | L28 M30 F128 Y129 Q130 W137 | L28-L132 HydrophobicContact CD2-CD1 3.43Å; L28-L132 VanDerWaalsContact CD2-CD1 3.43Å; L28-L132 HydrophobicContact CD2-CD2 4.43Å; L28-L132 HydrophobicContact CD2-CG 4.17Å; M30-L132 HydrophobicContact CE-CD2 3.74Å; F128-L132 HydrophobicContact CE1-CD2 4.24Å; F128-L132 HydrophobicContact CE2-CD1 4.2Å; F128-L132 HydrophobicContact CZ-CD1 3.93Å; F128-L132 HydrophobicContact CZ-CD2 4.2Å; F128-L132 HydrophobicContact CZ-CG 4.5Å; F128-L132 VanDerWaalsContact O-CB 3.31Å; F128-L132 WeakPolarHBondContact O-CB 3.15Å; F128-L132 PolarHBondContact O-N 2.9Å; Y129-L132 HydrophobicContact CD1-CD2 4.46Å; Y129-L132 PolarHBondContact O-N 2.91Å; Q130-L132 VanDerWaalsContact C-N 3.33Å; Q130-L132 PolarHBondContact O-N 3.24Å; L132-W137 HydrophobicContact CD1-CZ2 4.25Å; L132-W137 PolarHBondContact O-NE1 2.91Å |
| 133 | T | 70.9 | Confident | 76.8 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.4 | -27.3 | -179.7 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | Y129 Q130 R135 | Y129-T133 WeakPolarHBondContact O-CB 3.46Å; Y129-T133 WeakPolarHBondContact O-CG2 3.35Å; Y129-T133 PolarHBondContact O-N 3.46Å; Y129-T133 PolarHBondContact O-OG1 3.34Å; Q130-T133 WeakPolarHBondContact CA-OG1 3.45Å; Q130-T133 PolarHBondContact O-N 2.88Å; Q130-T133 PolarHBondContact O-OG1 2.87Å; T133-R135 VanDerWaalsContact C-N 3.29Å; T133-R135 PolarHBondContact O-N 3.49Å |
| 134 | A | 72.8 | Confident | 77.2 | Confident | 83 Ų | 83 | 55.5 Ų | 55.5 | 69% | 0.686 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.3 | -27.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q130 N131 | Q130-A134 VanDerWaalsContact O-CB 3.22Å; Q130-A134 WeakPolarHBondContact O-CB 3.46Å; Q130-A134 PolarHBondContact O-N 2.87Å; N131-A134 PolarHBondContact O-N 3.35Å |
| 135 | R | 76 | Confident | 77.1 | Confident | 138 Ų | 138 | 49.4 Ų | 49.4 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -81 | 135.7 | 175.5 | -70.6 | -177 | -177 | -163.4 | 2.1 | 111.2 | N131 T133 W137 | N131-R135 WeakPolarHBondContact O-CG 3.42Å; N131-R135 PolarHBondContact O-N 3.33Å; T133-R135 VanDerWaalsContact C-N 3.29Å; T133-R135 PolarHBondContact O-N 3.49Å; R135-W137 HydrophobicContact CB-CZ2 4.23Å; R135-W137 PolarHBondContact O-N 2.82Å |
| 136 | K | 82 | Confident | 76.6 | Confident | 183 Ų | 183 | 50.9 Ų | 50.9 | 80% | 0.796 | 26% | 0.259 | S | S | * | . | trans | -84.1 | 100.1 | 171.1 | -171 | 177.7 | -178.4 | 177.4 | 0 | 109.8 | ||||
| 137 | W | 86.9 | Confident | 75.9 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | trans | -81.2 | 138.3 | 171.4 | -57.5 | 98.7 | 0 | 0 | 0 | 110.3 | H26 L28 L132 R135 L140 | H26-W137 HydrophobicContact CB-CE3 4.04Å; H26-W137 HydrophobicContact CB-CZ3 4.43Å; L28-W137 HydrophobicContact CB-CD2 3.8Å; L28-W137 HydrophobicContact CB-CE3 3.58Å; L28-W137 HydrophobicContact CB-CG 4.48Å; L28-W137 HydrophobicContact CB-CH2 4.07Å; L28-W137 HydrophobicContact CB-CZ2 4.28Å; L28-W137 HydrophobicContact CB-CZ3 3.72Å; L28-W137 HydrophobicContact CD1-CH2 3.74Å; L28-W137 HydrophobicContact CD1-CZ2 3.99Å; L28-W137 HydrophobicContact CD1-CZ3 4.17Å; L28-W137 HydrophobicContact CD2-CD2 4.37Å; L28-W137 HydrophobicContact CD2-CZ2 4.05Å; L28-W137 HydrophobicContact CG-CH2 4.32Å; L28-W137 HydrophobicContact CG-CZ2 4.33Å; L28-W137 HydrophobicContact CG-CZ3 4.45Å; L132-W137 HydrophobicContact CD1-CZ2 4.25Å; L132-W137 PolarHBondContact O-NE1 2.91Å; R135-W137 HydrophobicContact CB-CZ2 4.23Å; R135-W137 PolarHBondContact O-N 2.82Å; W137-L140 HydrophobicContact CB-CD2 3.74Å; W137-L140 HydrophobicContact CG-CD2 3.79Å | ||
| 138 | D | 89.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -79.8 | -29.4 | 171.2 | -69.1 | -84.3 | 0 | 0 | 0 | 111.1 | K25 H26 L448 | K25-D138 WeakPolarHBondContact CA-OD2 3.08Å; K25-D138 HydrophobicContact CB-CB 3.97Å; K25-D138 HydrophobicContact CD-CB 4.19Å; K25-D138 WeakPolarHBondContact CD-OD1 3.47Å; K25-D138 HydrophobicContact CG-CB 4.46Å; K25-D138 IonicContact NZ-OD1 3.25Å; K25-D138 PolarHBondContact NZ-OD1 3.33Å; H26-D138 PolarHBondContact N-OD2 2.92Å; H26-D138 PolarHBondContact O-N 3.46Å; D138-L448 HydrophobicContact CB-CD2 4.33Å |
| 139 | L | 90.8 | Very high | 73.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 136.2 | -178.9 | -177.7 | 67.3 | 0 | 0 | 0 | 112.1 | H26 I27 L28 I141 A155 I157 I444 Y447 L448 | H26-L139 PolarHBondContact O-N 3.37Å; I27-L139 WeakPolarHBondContact CA-O 3.44Å; I27-L139 HydrophobicContact CG1-CB 4.47Å; I27-L139 HydrophobicContact CG2-CD2 4.48Å; L28-L139 PolarHBondContact N-O 2.87Å; L28-L139 VanDerWaalsContact N-O 3.08Å; L139-I141 HydrophobicContact CD2-CD1 4.26Å; L139-I141 HydrophobicContact CD2-CG1 4.3Å; L139-I141 HydrophobicContact CG-CG1 4.29Å; L139-A155 HydrophobicContact CD1-CB 4.14Å; L139-I157 HydrophobicContact CD1-CD1 4.25Å; L139-I157 HydrophobicContact CD1-CG1 4.14Å; L139-I157 HydrophobicContact CD2-CD1 3.89Å; L139-I444 HydrophobicContact CD2-CG2 3.6Å; L139-Y447 HydrophobicContact CD1-CD1 4.25Å; L139-Y447 HydrophobicContact CD1-CE1 4.1Å; L139-L448 HydrophobicContact CB-CD2 4.18Å; L139-L448 HydrophobicContact CD2-CD2 4.49Å |
| 140 | L | 89.2 | Confident | 72.7 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142 | 170.9 | -53.9 | 178.8 | 0 | 0 | 0 | 110.7 | L28 W137 P142 A155 W156 I157 | L28-L140 HydrophobicContact CB-CD2 3.97Å; L28-L140 HydrophobicContact CD2-CD2 4.07Å; W137-L140 HydrophobicContact CB-CD2 3.74Å; W137-L140 HydrophobicContact CG-CD2 3.79Å; L140-P142 VanDerWaalsContact C-CD 3.41Å; L140-P142 WeakPolarHBondContact O-CD 3.46Å; L140-A155 PolarHBondContact N-O 3.37Å; L140-W156 HydrophobicContact CB-CB 3.95Å; L140-W156 CarbonylContact O-C 3.57Å; L140-W156 WeakPolarHBondContact O-CA 3.48Å; L140-W156 WeakPolarHBondContact O-CB 3.34Å; L140-I157 PolarHBondContact O-N 3.39Å |
| 141 | I | 91.3 | Very high | 71.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 74 | 175.8 | -52.1 | -178.9 | 0 | 0 | 0 | 109.6 | I27 L28 F29 M30 L49 L139 I157 Y159 I444 | I27-I141 HydrophobicContact CG2-CD1 3.66Å; I27-I141 HydrophobicContact CG2-CG1 4.07Å; L28-I141 PolarHBondContact O-N 3.12Å; F29-I141 HydrophobicContact CD1-CB 3.97Å; F29-I141 HydrophobicContact CD1-CD1 4.44Å; F29-I141 HydrophobicContact CD1-CG2 3.88Å; F29-I141 HydrophobicContact CD2-CD1 4.49Å; F29-I141 HydrophobicContact CE1-CB 4.13Å; F29-I141 HydrophobicContact CE1-CD1 3.85Å; F29-I141 HydrophobicContact CE1-CG2 3.82Å; F29-I141 HydrophobicContact CE2-CD1 3.89Å; F29-I141 HydrophobicContact CG-CB 4.32Å; F29-I141 HydrophobicContact CZ-CD1 3.54Å; M30-I141 PolarHBondContact N-O 3.27Å; L49-I141 HydrophobicContact CD1-CD1 4.35Å; L139-I141 HydrophobicContact CD2-CD1 4.26Å; L139-I141 HydrophobicContact CD2-CG1 4.3Å; L139-I141 HydrophobicContact CG-CG1 4.29Å; I141-I157 WeakPolarHBondContact CA-O 3.46Å; I141-I157 HydrophobicContact CG1-CB 4.42Å; I141-Y159 HydrophobicContact CG2-CD2 3.9Å; I141-Y159 HydrophobicContact CG2-CG 4.29Å; I141-I444 HydrophobicContact CD1-CD1 3.92Å |
| 142 | P | 86 | Confident | 70.9 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 147.6 | 175.7 | 30.9 | -34.5 | 0 | 0 | 0 | 112.9 | M30 L140 W156 I157 Y159 F226 | M30-P142 HydrophobicContact CB-CB 4.28Å; M30-P142 WeakPolarHBondContact O-CA 3.22Å; L140-P142 VanDerWaalsContact C-CD 3.41Å; L140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-W156 HydrophobicContact CG-CB 4.44Å; P142-I157 WeakPolarHBondContact CD-O 3.36Å; P142-Y159 PolarHBondContact O-N 3.4Å; P142-F226 HydrophobicContact CB-CE2 4.4Å; P142-F226 HydrophobicContact CB-CZ 4.28Å; P142-F226 HydrophobicContact CG-CE2 3.56Å; P142-F226 HydrophobicContact CG-CZ 3.67Å |
| 143 | S | 83.2 | Confident | 70.4 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -99 | 102.6 | 162.6 | 175.9 | 0 | 0 | 0 | 0 | 109 | M30 A32 M42 Y159 T161 | M30-S143 PolarHBondContact O-N 3.38Å; A32-S143 WeakPolarHBondContact CB-O 3.3Å; A32-S143 WeakPolarHBondContact CB-OG 3.47Å; M42-S143 VanDerWaalsContact CE-CB 3.5Å; S143-Y159 WeakPolarHBondContact CA-O 3.31Å; S143-Y159 WeakPolarHBondContact CB-O 3.24Å; S143-Y159 PolarHBondContact OG-O 3.34Å; S143-Y159 VanDerWaalsContact OG-O 3.12Å; S143-T161 PolarHBondContact OG-N 2.88Å; S143-T161 PolarHBondContact OG-OG1 3.31Å |
| 144 | G | 71.2 | Confident | 70.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 74.1 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | H146 | G144-H146 VanDerWaalsContact C-N 3.27Å; G144-H146 PolarHBondContact O-N 3.48Å |
| 145 | L | 60.7 | Low | 71.3 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -68.4 | -19.5 | -170.6 | -171.9 | 73.7 | 0 | 0 | 0 | 114.5 | Y147 A148 F214 L218 I223 F226 | L145-Y147 PolarHBondContact O-N 2.94Å; L145-A148 HydrophobicContact CD1-CB 4.26Å; L145-A148 PolarHBondContact O-N 3.3Å; L145-A148 VanDerWaalsContact O-N 3.12Å; L145-F214 HydrophobicContact CD2-CE1 4.26Å; L145-L218 HydrophobicContact CD2-CB 4.25Å; L145-L218 HydrophobicContact CD2-CD1 3.83Å; L145-I223 HydrophobicContact CD1-CG1 4.4Å; L145-I223 HydrophobicContact CD2-CB 4.13Å; L145-I223 HydrophobicContact CD2-CD1 3.37Å; L145-I223 HydrophobicContact CD2-CG1 3.37Å; L145-I223 HydrophobicContact CD2-CG2 4.1Å; L145-F226 HydrophobicContact CD1-CB 3.69Å; L145-F226 HydrophobicContact CD1-CD1 4.1Å; L145-F226 HydrophobicContact CD1-CG 3.84Å |
| 146 | H | 56.7 | Low | 71.9 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -52.5 | -20.6 | -171.9 | -61.5 | -58.4 | 0 | 0 | 0 | 114.1 | S113 R120 G144 F214 | S113-H146 PolarHBondContact OG-CE1 3.14Å; R120-H146 PolarHBondContact NH2-O 3.09Å; G144-H146 VanDerWaalsContact C-N 3.27Å; G144-H146 PolarHBondContact O-N 3.48Å; H146-F214 AromaticContact CE1-CZ 3.82Å |
| 147 | Y | 54.2 | Low | 72.3 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -122.6 | -2.9 | -175.3 | -55.1 | -60.1 | 0 | 0 | 0 | 116.1 | M30 P31 M33 F61 L145 T149 | M30-Y147 HydrophobicContact CB-CD2 4.08Å; M30-Y147 HydrophobicContact CB-CG 4.11Å; M30-Y147 HydrophobicContact CE-CG 4.27Å; P31-Y147 WeakPolarHBondContact O-CE2 3.43Å; P31-Y147 PolarHBondContact O-OH 2.76Å; M33-Y147 PolarHBondContact N-OH 2.66Å; F61-Y147 HydrophobicContact CD2-CE1 4.18Å; F61-Y147 WeakPolarHBondContact CD2-OH 3.38Å; F61-Y147 HydrophobicContact CE2-CD1 4.15Å; F61-Y147 AromaticContact CE2-CE1 3.19Å; F61-Y147 HydrophobicContact CE2-CE1 3.19Å; F61-Y147 AromaticContact CE2-CZ 3.48Å; F61-Y147 VanDerWaalsContact CE2-CZ 3.48Å; F61-Y147 VanDerWaalsContact CE2-OH 3.23Å; F61-Y147 WeakPolarHBondContact CE2-OH 3.45Å; F61-Y147 HydrophobicContact CZ-CD1 4.39Å; F61-Y147 AromaticContact CZ-CE1 3.52Å; F61-Y147 HydrophobicContact CZ-CE1 3.52Å; L145-Y147 PolarHBondContact O-N 2.94Å; Y147-T149 PolarHBondContact O-N 3.1Å; Y147-T149 PolarHBondContact O-OG1 3.23Å |
| 148 | A | 52.6 | Low | 72.3 | Confident | 20 Ų | 20 | 35 Ų | 35 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | trans | -73.7 | 68.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L145 T151 F226 | L145-A148 HydrophobicContact CD1-CB 4.26Å; L145-A148 PolarHBondContact O-N 3.3Å; L145-A148 VanDerWaalsContact O-N 3.12Å; A148-T151 HydrophobicContact CB-CG2 4.49Å; A148-F226 HydrophobicContact CB-CD2 3.27Å; A148-F226 HydrophobicContact CB-CE2 3.47Å; A148-F226 VanDerWaalsContact CB-CE2 3.47Å; A148-F226 HydrophobicContact CB-CG 4.11Å; A148-F226 HydrophobicContact CB-CZ 4.44Å | ||
| 149 | T | 46.5 | Very low | 72.3 | Confident | 22 Ų | 22 | 33 Ų | 33 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | trans | -88.8 | 120.4 | 176 | 40.1 | 0 | 0 | 0 | 0 | 108.4 | R120 Y129 Y147 T151 | R120-T149 VanDerWaalsContact NH1-CG2 3.3Å; Y129-T149 HydrophobicContact CE1-CG2 4.24Å; Y147-T149 PolarHBondContact O-N 3.1Å; Y147-T149 PolarHBondContact O-OG1 3.23Å; T149-T151 PolarHBondContact O-N 3.07Å | ||
| 150 | N | 50 | Low | 72 | Confident | 137 Ų | 137 | 33.1 Ų | 33.1 | 73% | 0.733 | 19% | 0.193 | S | C | * | . | trans | 57.3 | 46.8 | 164.7 | -62.2 | -18.1 | 0 | 0 | 0 | 116.2 | K152 | N150-K152 PolarHBondContact O-N 3.05Š| ||
| 151 | T | 51.1 | Low | 71.7 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 20% | 0.202 | 19% | 0.191 | C | C | . | . | trans | -67.2 | 20.8 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | A148 T149 G153 Q154 W156 | A148-T151 HydrophobicContact CB-CG2 4.49Å; T149-T151 PolarHBondContact O-N 3.07Å; T151-G153 PolarHBondContact O-N 3.2Å; T151-Q154 PolarHBondContact O-N 2.93Å; T151-W156 HydrophobicContact CG2-CE3 3.97Å; T151-W156 HydrophobicContact CG2-CZ3 4.2Å | ||
| 152 | K | 53.3 | Low | 70.9 | Confident | 213 Ų | 213 | 35 Ų | 35 | 93% | 0.926 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 103.5 | 177.1 | -79.8 | -168.8 | 179.2 | -179.1 | 0 | 109.8 | N150 | N150-K152 PolarHBondContact O-N 3.05Š|
| 153 | G | 64.4 | Low | 70.4 | Confident | 87 Ų | 87 | 35.8 Ų | 35.8 | 90% | 0.897 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 2.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.8 | T151 | T151-G153 PolarHBondContact O-N 3.2Š|
| 154 | Q | 77.1 | Confident | 70.1 | Confident | 57 Ų | 57 | 37.2 Ų | 37.2 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | trans | -103.9 | 143.5 | 176.9 | -67.7 | -175.7 | 11 | 0 | 0 | 111.5 | T151 W156 | T151-Q154 PolarHBondContact O-N 2.93Å; Q154-W156 VanDerWaalsContact O-CE3 3.3Å | ||
| 155 | A | 85.4 | Confident | 70.3 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | trans | -85 | 145.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L139 L140 V231 Y447 | L139-A155 HydrophobicContact CD1-CB 4.14Å; L140-A155 PolarHBondContact N-O 3.37Å; A155-V231 HydrophobicContact CB-CG2 4.13Å; A155-Y447 HydrophobicContact CB-CE1 3.66Å; A155-Y447 WeakPolarHBondContact CB-OH 3.39Å | ||
| 156 | W | 87.7 | Confident | 71 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 156.3 | 173.2 | 70.7 | 94.7 | 0 | 0 | 0 | 113.3 | L140 P142 T151 Q154 D225 F226 N229 V231 | L140-W156 HydrophobicContact CB-CB 3.95Å; L140-W156 CarbonylContact O-C 3.57Å; L140-W156 WeakPolarHBondContact O-CA 3.48Å; L140-W156 WeakPolarHBondContact O-CB 3.34Å; P142-W156 HydrophobicContact CG-CB 4.44Å; T151-W156 HydrophobicContact CG2-CE3 3.97Å; T151-W156 HydrophobicContact CG2-CZ3 4.2Å; Q154-W156 VanDerWaalsContact O-CE3 3.3Å; W156-D225 WeakPolarHBondContact CZ2-O 3.48Å; W156-F226 AromaticContact CD1-CD2 3.92Å; W156-F226 AromaticContact CD1-CE2 3.53Å; W156-F226 AromaticContact CE2-CD2 3.95Å; W156-F226 VanDerWaalsContact CE2-O 3.27Å; W156-F226 HydrophobicContact CG-CE2 4.27Å; W156-F226 HydrophobicContact CZ2-CD2 4.45Å; W156-F226 VanDerWaalsContact CZ2-O 3.27Å; W156-F226 WeakPolarHBondContact CZ2-O 3.45Å; W156-F226 AromaticContact NE1-CD2 3.46Å; W156-F226 AromaticContact NE1-CE2 3.55Å; W156-F226 PolarHBondContact NE1-O 3.2Å; W156-N229 HydrophobicContact CH2-CB 3.54Å; W156-N229 HydrophobicContact CZ2-CB 3.68Å; W156-V231 WeakPolarHBondContact O-CB 3.39Å; W156-V231 WeakPolarHBondContact O-CG2 3.44Å; W156-V231 PolarHBondContact O-N 3.13Å |
| 157 | I | 90.3 | Very high | 71.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -117.3 | 122.7 | 169.1 | -70.4 | 169.5 | 0 | 0 | 0 | 107.7 | L139 L140 I141 P142 Y159 V231 Y232 I234 I444 | L139-I157 HydrophobicContact CD1-CD1 4.25Å; L139-I157 HydrophobicContact CD1-CG1 4.14Å; L139-I157 HydrophobicContact CD2-CD1 3.89Å; L140-I157 PolarHBondContact O-N 3.39Å; I141-I157 WeakPolarHBondContact CA-O 3.46Å; I141-I157 HydrophobicContact CG1-CB 4.42Å; P142-I157 WeakPolarHBondContact CD-O 3.36Å; I157-Y159 PolarHBondContact O-N 3.5Å; I157-V231 HydrophobicContact CG1-CB 4.04Å; I157-V231 HydrophobicContact CG1-CG1 4.35Å; I157-Y232 WeakPolarHBondContact CA-O 3.47Å; I157-Y232 HydrophobicContact CD1-CD2 3.77Å; I157-Y232 HydrophobicContact CG1-CD2 4.11Å; I157-I234 HydrophobicContact CG2-CD1 3.6Å; I157-I234 HydrophobicContact CG2-CG1 3.86Å; I157-I444 HydrophobicContact CD1-CB 4.43Å; I157-I444 HydrophobicContact CD1-CD1 4.44Å; I157-I444 HydrophobicContact CD1-CG1 3.62Å | ||
| 158 | D | 86.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.6 | 178.4 | 172.4 | 28 | 0 | 0 | 0 | 110.2 | R172 F226 Y227 A230 Y232 S233 I234 | D158-R172 IonicContact OD1-CZ 2.9Å; D158-R172 IonicContact OD1-NE 3.5Å; D158-R172 IonicContact OD1-NH2 3.87Å; D158-R172 PolarHBondContact OD1-NH2 3.13Å; D158-R172 WeakPolarHBondContact OD2-CD 3.43Å; D158-R172 IonicContact OD2-CZ 2.65Å; D158-R172 IonicContact OD2-NE 2.68Å; D158-R172 PolarHBondContact OD2-NE 3.19Å; D158-R172 IonicContact OD2-NH2 3.69Å; D158-R172 PolarHBondContact OD2-NH2 3.35Å; D158-F226 HydrophobicContact CB-CE1 4.35Å; D158-F226 HydrophobicContact CB-CZ 4.29Å; D158-Y227 WeakPolarHBondContact OD2-CD1 3.33Å; D158-Y227 WeakPolarHBondContact OD2-CE1 3.24Å; D158-A230 HydrophobicContact CB-CB 4.09Å; D158-Y232 PolarHBondContact N-O 3.46Å; D158-S233 CarbonylContact O-C 3.58Å; D158-S233 VanDerWaalsContact O-CA 3.31Å; D158-S233 WeakPolarHBondContact O-CA 3.34Å; D158-I234 PolarHBondContact O-N 3.22Å |
| 159 | Y | 89.1 | Confident | 74.1 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 96.9 | -178.7 | -173 | -5.3 | 0 | 0 | 0 | 110.8 | F29 S41 M42 L45 I141 P142 S143 I157 T161 I234 | F29-Y159 HydrophobicContact CE1-CD2 4.25Å; F29-Y159 HydrophobicContact CE1-CE2 4.45Å; S41-Y159 PolarHBondContact O-OH 3.01Å; M42-Y159 HydrophobicContact CB-CE2 4.39Å; M42-Y159 HydrophobicContact CE-CD2 3.9Å; M42-Y159 HydrophobicContact CE-CG 3.89Å; M42-Y159 HydrophobicContact CG-CD2 4.03Å; M42-Y159 HydrophobicContact CG-CE2 3.88Å; L45-Y159 HydrophobicContact CB-CE2 4.47Å; L45-Y159 HydrophobicContact CD2-CD2 4.08Å; L45-Y159 HydrophobicContact CD2-CE2 3.67Å; I141-Y159 HydrophobicContact CG2-CD2 3.9Å; I141-Y159 HydrophobicContact CG2-CG 4.29Å; P142-Y159 PolarHBondContact O-N 3.4Å; S143-Y159 WeakPolarHBondContact CA-O 3.31Å; S143-Y159 WeakPolarHBondContact CB-O 3.24Å; S143-Y159 PolarHBondContact OG-O 3.34Å; S143-Y159 VanDerWaalsContact OG-O 3.12Å; I157-Y159 PolarHBondContact O-N 3.5Å; Y159-T161 PolarHBondContact O-N 2.8Å; Y159-T161 VanDerWaalsContact O-N 3.16Å; Y159-I234 HydrophobicContact CD1-CB 3.82Å; Y159-I234 HydrophobicContact CD1-CG2 3.59Å; Y159-I234 HydrophobicContact CE1-CB 4.4Å; Y159-I234 HydrophobicContact CE1-CG2 3.65Å; Y159-I234 HydrophobicContact CG-CB 4.06Å; Y159-I234 HydrophobicContact CG-CG2 4.13Å |
| 160 | S | 85.9 | Confident | 75.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | trans | -71.3 | 104.8 | 173.3 | -158.5 | 0 | 0 | 0 | 0 | 111.6 | T162 R172 I234 S236 | S160-T162 WeakPolarHBondContact CB-O 3.22Å; S160-T162 PolarHBondContact O-N 3.11Å; S160-T162 PolarHBondContact OG-O 2.97Å; S160-R172 VanDerWaalsContact CB-NH1 3.31Å; S160-R172 PolarHBondContact OG-NH1 3.12Å; S160-I234 WeakPolarHBondContact CB-O 3.31Å; S160-I234 PolarHBondContact N-O 3.1Å; S160-S236 WeakPolarHBondContact O-CB 3.08Å; S160-S236 PolarHBondContact O-N 3.08Å | ||
| 161 | T | 81.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -76.6 | -6.1 | 171.1 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | H38 M42 S143 Y159 S236 | H38-T161 PolarHBondContact CE1-OG1 3.25Å; H38-T161 PolarHBondContact ND1-OG1 3.32Å; M42-T161 HydrophobicContact CE-CG2 3.72Å; M42-T161 HydrophobicContact CG-CG2 3.78Å; M42-T161 HydrophobicContact SD-CG2 4.38Å; S143-T161 PolarHBondContact OG-N 2.88Å; S143-T161 PolarHBondContact OG-OG1 3.31Å; Y159-T161 PolarHBondContact O-N 2.8Å; Y159-T161 VanDerWaalsContact O-N 3.16Å; T161-S236 PolarHBondContact O-OG 2.88Å |
| 162 | T | 76.3 | Confident | 77.8 | Confident | 50 Ų | 50 | 31.5 Ų | 31.5 | 31% | 0.307 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -122.5 | -179.2 | 175.2 | 59.9 | 0 | 0 | 0 | 0 | 110 | H38 S160 | H38-T162 VanDerWaalsContact CE1-CG2 3.41Å; H38-T162 WeakPolarHBondContact CE1-CG2 3.14Å; S160-T162 WeakPolarHBondContact CB-O 3.22Å; S160-T162 PolarHBondContact O-N 3.11Å; S160-T162 PolarHBondContact OG-O 2.97Å |
| 163 | L | 74.2 | Confident | 78.8 | Confident | 19 Ų | 19 | 21.6 Ų | 21.6 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | trans | -50.4 | 144.1 | 172.8 | -60.5 | 169.4 | 0 | 0 | 0 | 112.8 | L165 D378 R381 | L163-L165 PolarHBondContact O-N 3.25Å; L163-D378 HydrophobicContact CD1-CB 3.2Å; L163-D378 HydrophobicContact CG-CB 3.7Å; L163-R381 HydrophobicContact CD1-CB 4.11Å; L163-R381 HydrophobicContact CD1-CG 4.34Å | ||
| 164 | M | 76.5 | Confident | 79.4 | Confident | 34 Ų | 34 | 17.7 Ų | 17.7 | 17% | 0.167 | 9% | 0.092 | C | C | . | . | trans | -75 | 110.2 | 164.5 | -175.8 | 176.8 | -66.4 | 0 | 0 | 108.7 | R169 R172 A173 T251 | M164-R169 HydrophobicContact CG-CB 4.04Å; M164-R169 HydrophobicContact CG-CG 4.42Å; M164-R169 HydrophobicContact SD-CB 3.94Å; M164-R169 HydrophobicContact SD-CG 3.75Å; M164-R172 HydrophobicContact CE-CB 3.87Å; M164-R172 HydrophobicContact SD-CB 4.07Å; M164-A173 HydrophobicContact CE-CB 4.42Å; M164-A173 HydrophobicContact SD-CB 3.93Å; M164-T251 HydrophobicContact CE-CG2 3.68Å | ||
| 165 | L | 75.5 | Confident | 79.4 | Confident | 38 Ų | 38 | 20.3 Ų | 20.3 | 20% | 0.199 | 11% | 0.105 | C | C | . | . | trans | -65.4 | 149.4 | 176 | -64.4 | 177.5 | 0 | 0 | 0 | 111 | L163 C167 I168 R169 M184 | L163-L165 PolarHBondContact O-N 3.25Å; L165-C167 VanDerWaalsContact C-N 3.34Å; L165-C167 PolarHBondContact O-N 2.73Å; L165-I168 HydrophobicContact CB-CD1 4.33Å; L165-I168 HydrophobicContact CB-CG1 4.39Å; L165-I168 HydrophobicContact CD1-CD1 4.27Å; L165-I168 PolarHBondContact O-N 3.17Å; L165-I168 VanDerWaalsContact O-N 3.11Å; L165-R169 WeakPolarHBondContact O-CB 3.31Å; L165-R169 PolarHBondContact O-N 2.89Å; L165-M184 HydrophobicContact CD2-CE 3.99Å | ||
| 166 | Q | 76.6 | Confident | 79.3 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | -178.2 | 166.6 | 165.6 | 50.9 | 0 | 0 | 112.4 | I168 R169 P178 E181 Y204 | Q166-I168 PolarHBondContact O-N 3.38Å; Q166-R169 PolarHBondContact O-N 3.01Å; Q166-P178 VanDerWaalsContact NE2-CA 3.32Å; Q166-E181 VanDerWaalsContact CA-OE1 3.28Å; Q166-E181 WeakPolarHBondContact CA-OE1 3.3Å; Q166-E181 VanDerWaalsContact CB-CD 3.49Å; Q166-E181 HydrophobicContact CB-CG 4.47Å; Q166-E181 WeakPolarHBondContact CB-OE1 3.23Å; Q166-E181 WeakPolarHBondContact CB-OE2 3.36Å; Q166-E181 WeakPolarHBondContact CG-OE2 3.36Å; Q166-E181 PolarHBondContact NE2-OE2 3.48Å; Q166-Y204 HydrophobicContact CG-CD2 3.7Å; Q166-Y204 HydrophobicContact CG-CE2 4.38Å |
| 167 | C | 73.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -26 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | L165 Q170 Q207 | L165-C167 VanDerWaalsContact C-N 3.34Å; L165-C167 PolarHBondContact O-N 2.73Å; C167-Q170 VanDerWaalsContact O-CG 3.28Å; C167-Q170 WeakPolarHBondContact O-CG 3.49Å; C167-Q170 PolarHBondContact O-NE2 3.24Å; C167-Q207 HydrophobicContact CB-CB 4.02Å |
| 168 | I | 76.2 | Confident | 79 | Confident | 9 Ų | 9 | 20.8 Ų | 20.8 | 5% | 0.046 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -93.7 | -25.7 | 179.4 | -54.4 | 174.2 | 0 | 0 | 0 | 110.5 | L165 Q166 Q170 L171 R172 W211 Y227 | L165-I168 HydrophobicContact CB-CD1 4.33Å; L165-I168 HydrophobicContact CB-CG1 4.39Å; L165-I168 HydrophobicContact CD1-CD1 4.27Å; L165-I168 PolarHBondContact O-N 3.17Å; L165-I168 VanDerWaalsContact O-N 3.11Å; Q166-I168 PolarHBondContact O-N 3.38Å; I168-Q170 PolarHBondContact O-N 3.2Å; I168-L171 CarbonylContact O-C 3.07Å; I168-L171 WeakPolarHBondContact O-CA 3.34Å; I168-L171 WeakPolarHBondContact O-CB 3.23Å; I168-L171 PolarHBondContact O-N 3.43Å; I168-R172 VanDerWaalsContact CG2-CD 3.41Å; I168-R172 HydrophobicContact CG2-CG 3.62Å; I168-R172 PolarHBondContact O-N 3.37Å; I168-W211 HydrophobicContact CD1-CH2 3.79Å; I168-W211 HydrophobicContact CD1-CZ2 4.21Å; I168-W211 HydrophobicContact CD1-CZ3 4.19Å; I168-W211 HydrophobicContact CG1-CH2 4.08Å; I168-W211 HydrophobicContact CG1-CZ2 4.01Å; I168-Y227 HydrophobicContact CD1-CE2 4.43Å; I168-Y227 HydrophobicContact CG2-CD1 3.59Å; I168-Y227 HydrophobicContact CG2-CD2 3.98Å; I168-Y227 HydrophobicContact CG2-CE1 3.58Å; I168-Y227 HydrophobicContact CG2-CE2 3.99Å; I168-Y227 HydrophobicContact CG2-CG 3.79Å |
| 169 | R | 79 | Confident | 79 | Confident | 14 Ų | 14 | 20.9 Ų | 20.9 | 5% | 0.053 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.9 | -38.5 | 179.2 | -174.4 | 177.4 | -175.9 | 91.7 | 10.7 | 112.8 | M164 L165 Q166 L171 R172 A173 P246 | M164-R169 HydrophobicContact CG-CB 4.04Å; M164-R169 HydrophobicContact CG-CG 4.42Å; M164-R169 HydrophobicContact SD-CB 3.94Å; M164-R169 HydrophobicContact SD-CG 3.75Å; L165-R169 WeakPolarHBondContact O-CB 3.31Å; L165-R169 PolarHBondContact O-N 2.89Å; Q166-R169 PolarHBondContact O-N 3.01Å; R169-L171 PolarHBondContact O-N 2.92Å; R169-R172 PolarHBondContact O-N 2.93Å; R169-A173 HydrophobicContact CG-CB 4.14Å; R169-A173 CarbonylContact O-C 3.54Å; R169-A173 WeakPolarHBondContact O-CA 3.48Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 3.17Å; R169-P246 PolarHBondContact NH2-O 3.31Å |
| 170 | Q | 75.6 | Confident | 79 | Confident | 52 Ų | 52 | 20.8 Ų | 20.8 | 24% | 0.243 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.5 | -21 | 175.5 | 67.3 | -173.5 | -4.5 | 0 | 0 | 113.7 | C167 I168 H175 Q208 | C167-Q170 VanDerWaalsContact O-CG 3.28Å; C167-Q170 WeakPolarHBondContact O-CG 3.49Å; C167-Q170 PolarHBondContact O-NE2 3.24Å; I168-Q170 PolarHBondContact O-N 3.2Å; Q170-H175 HydrophobicContact CB-CB 4.36Å; Q170-Q208 VanDerWaalsContact NE2-NE2 3.1Å |
| 171 | L | 75.6 | Confident | 79 | Confident | 21 Ų | 21 | 21.1 Ų | 21.1 | 11% | 0.11 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -98.2 | -38.2 | 177.9 | -54.2 | 175.8 | 0 | 0 | 0 | 112.1 | I168 R169 D224 Y227 T228 L462 | I168-L171 CarbonylContact O-C 3.07Å; I168-L171 WeakPolarHBondContact O-CA 3.34Å; I168-L171 WeakPolarHBondContact O-CB 3.23Å; I168-L171 PolarHBondContact O-N 3.43Å; R169-L171 PolarHBondContact O-N 2.92Å; L171-D224 WeakPolarHBondContact CD1-OD1 3.41Å; L171-Y227 HydrophobicContact CB-CG 4.43Å; L171-Y227 HydrophobicContact CD1-CD2 4.11Å; L171-Y227 HydrophobicContact CD1-CG 4.48Å; L171-T228 HydrophobicContact CB-CG2 4.42Å; L171-T228 HydrophobicContact CD2-CG2 4.16Å; L171-L462 HydrophobicContact CD2-CD2 4.15Å |
| 172 | R | 73.9 | Confident | 79.2 | Confident | 12 Ų | 12 | 21.3 Ų | 21.3 | 5% | 0.045 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -83.9 | -25.7 | -176.7 | -81.3 | 176.8 | -179.5 | -169.9 | -20.2 | 114.7 | D158 S160 M164 I168 R169 Y227 T251 | D158-R172 IonicContact OD1-CZ 2.9Å; D158-R172 IonicContact OD1-NE 3.5Å; D158-R172 IonicContact OD1-NH2 3.87Å; D158-R172 PolarHBondContact OD1-NH2 3.13Å; D158-R172 WeakPolarHBondContact OD2-CD 3.43Å; D158-R172 IonicContact OD2-CZ 2.65Å; D158-R172 IonicContact OD2-NE 2.68Å; D158-R172 PolarHBondContact OD2-NE 3.19Å; D158-R172 IonicContact OD2-NH2 3.69Å; D158-R172 PolarHBondContact OD2-NH2 3.35Å; S160-R172 VanDerWaalsContact CB-NH1 3.31Å; S160-R172 PolarHBondContact OG-NH1 3.12Å; M164-R172 HydrophobicContact CE-CB 3.87Å; M164-R172 HydrophobicContact SD-CB 4.07Å; I168-R172 VanDerWaalsContact CG2-CD 3.41Å; I168-R172 HydrophobicContact CG2-CG 3.62Å; I168-R172 PolarHBondContact O-N 3.37Å; R169-R172 PolarHBondContact O-N 2.93Å; R172-Y227 HydrophobicContact CG-CD1 3.64Å; R172-Y227 HydrophobicContact CG-CE1 4.34Å; R172-Y227 HydrophobicContact CG-CG 4.33Å; R172-T251 PolarHBondContact O-OG1 3.37Å |
| 173 | A | 73.6 | Confident | 79.5 | Confident | 6 Ų | 6 | 19.1 Ų | 19.1 | 5% | 0.05 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -145.3 | -122.6 | -165 | 0 | 0 | 0 | 0 | 0 | 110.4 | M164 R169 T248 T251 | M164-A173 HydrophobicContact CE-CB 4.42Å; M164-A173 HydrophobicContact SD-CB 3.93Å; R169-A173 HydrophobicContact CG-CB 4.14Å; R169-A173 CarbonylContact O-C 3.54Å; R169-A173 WeakPolarHBondContact O-CA 3.48Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 3.17Å; A173-T248 WeakPolarHBondContact CA-OG1 3.18Å; A173-T248 WeakPolarHBondContact O-CG2 3.35Å; A173-T251 HydrophobicContact CB-CG2 3.96Å |
| 174 | A | 76.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | trans | -121.5 | 140.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V176 P246 P501 | A174-V176 PolarHBondContact O-N 3.45Å; A174-P246 HydrophobicContact CB-CB 4.24Å; A174-P501 HydrophobicContact CB-CB 3.56Å; A174-P501 HydrophobicContact CB-CG 3.55Å | ||
| 175 | H | 78.5 | Confident | 79.8 | Confident | 113 Ų | 113 | 18.9 Ų | 18.9 | 52% | 0.523 | 10% | 0.097 | S | C | . | . | trans | -63.8 | 128.4 | 172.9 | -178.4 | -83.2 | 0 | 0 | 0 | 110.6 | Q170 | Q170-H175 HydrophobicContact CB-CB 4.36Š| ||
| 176 | V | 81.5 | Confident | 80 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.036 | 9% | 0.089 | C | C | . | . | trans | -127.2 | 144.6 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | A174 V180 E181 L245 P246 | A174-V176 PolarHBondContact O-N 3.45Å; V176-V180 HydrophobicContact CB-CG2 4.47Å; V176-E181 HydrophobicContact CG2-CB 4.43Å; V176-E181 WeakPolarHBondContact CG2-OE2 3.43Å; V176-L245 HydrophobicContact CG1-CD2 4.41Å; V176-L245 HydrophobicContact CG2-CD1 4.5Å; V176-P246 HydrophobicContact CG1-CG 4.34Å | ||
| 177 | P | 85.4 | Confident | 80.2 | Confident | 17 Ų | 17 | 21.7 Ų | 21.7 | 11% | 0.11 | 11% | 0.109 | C | C | . | . | trans | -65 | 143.4 | 176.6 | -23.8 | 35.3 | 0 | 0 | 0 | 112.3 | S179 V180 Y724 | P177-S179 PolarHBondContact O-N 2.69Å; P177-V180 WeakPolarHBondContact O-CG2 3.39Å; P177-V180 PolarHBondContact O-N 2.98Å; P177-V180 VanDerWaalsContact O-N 3.17Å; P177-Y724 WeakPolarHBondContact CB-O 3.26Å; P177-Y724 WeakPolarHBondContact CD-OH 2.89Å; P177-Y724 HydrophobicContact CG-CD1 4.06Å; P177-Y724 HydrophobicContact CG-CE1 3.57Å; P177-Y724 HydrophobicContact CG-CE2 4.08Å; P177-Y724 VanDerWaalsContact CG-O 3.31Å; P177-Y724 WeakPolarHBondContact CG-O 3.49Å | ||
| 178 | P | 86.9 | Confident | 80.7 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -18.8 | 176.8 | -26.4 | 32.8 | 0 | 0 | 0 | 115.8 | Q166 V180 V201 Y204 | Q166-P178 VanDerWaalsContact NE2-CA 3.32Å; P178-V180 VanDerWaalsContact C-N 3.29Å; P178-V180 PolarHBondContact O-N 3.04Å; P178-V201 HydrophobicContact CB-CG2 4.15Å; P178-Y204 HydrophobicContact CG-CD1 4.43Å; P178-Y204 HydrophobicContact CG-CD2 3.83Å; P178-Y204 HydrophobicContact CG-CG 3.76Å |
| 179 | S | 88 | Confident | 81.3 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -23.3 | 178.4 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | P177 P191 R197 Y724 S726 | P177-S179 PolarHBondContact O-N 2.69Å; S179-P191 WeakPolarHBondContact O-CA 3.34Å; S179-P191 VanDerWaalsContact O-CB 3.27Å; S179-P191 WeakPolarHBondContact O-CB 3.47Å; S179-R197 VanDerWaalsContact CB-CD 3.41Å; S179-Y724 PolarHBondContact OG-O 2.84Å; S179-S726 VanDerWaalsContact CB-OG 3.31Å; S179-S726 WeakPolarHBondContact CB-OG 3.45Å |
| 180 | V | 88.1 | Confident | 81.8 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -1.7 | -178.5 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | V176 P177 P178 Y189 L245 M719 Y724 | V176-V180 HydrophobicContact CB-CG2 4.47Å; P177-V180 WeakPolarHBondContact O-CG2 3.39Å; P177-V180 PolarHBondContact O-N 2.98Å; P177-V180 VanDerWaalsContact O-N 3.17Å; P178-V180 VanDerWaalsContact C-N 3.29Å; P178-V180 PolarHBondContact O-N 3.04Å; V180-Y189 PolarHBondContact O-OH 3.26Å; V180-L245 HydrophobicContact CG2-CD2 4.18Å; V180-M719 HydrophobicContact CG1-SD 3.69Å; V180-Y724 HydrophobicContact CG1-CD2 3.77Å; V180-Y724 HydrophobicContact CG1-CE2 3.81Å; V180-Y724 HydrophobicContact CG2-CE2 4.07Å |
| 181 | E | 85.6 | Confident | 82.4 | Confident | 10 Ų | 10 | 27.4 Ų | 27.4 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -91.6 | 143.7 | 179.7 | -167.7 | 157.9 | -166.3 | 0 | 0 | 110.5 | Q166 V176 L245 | Q166-E181 VanDerWaalsContact CA-OE1 3.28Å; Q166-E181 WeakPolarHBondContact CA-OE1 3.3Å; Q166-E181 VanDerWaalsContact CB-CD 3.49Å; Q166-E181 HydrophobicContact CB-CG 4.47Å; Q166-E181 WeakPolarHBondContact CB-OE1 3.23Å; Q166-E181 WeakPolarHBondContact CB-OE2 3.36Å; Q166-E181 WeakPolarHBondContact CG-OE2 3.36Å; Q166-E181 PolarHBondContact NE2-OE2 3.48Å; V176-E181 HydrophobicContact CG2-CB 4.43Å; V176-E181 WeakPolarHBondContact CG2-OE2 3.43Å; E181-L245 HydrophobicContact CG-CD1 4.34Å |
| 182 | L | 86.6 | Confident | 83 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | trans | -92.7 | 119.1 | 177.7 | 179.3 | 56.9 | 0 | 0 | 0 | 109.6 | M186 Y189 I243 R381 I384 L385 | L182-M186 HydrophobicContact CD1-SD 4.01Å; L182-Y189 HydrophobicContact CB-CD2 4.18Å; L182-Y189 HydrophobicContact CB-CE2 4.41Å; L182-Y189 HydrophobicContact CD1-CD2 3.81Å; L182-Y189 HydrophobicContact CD1-CG 4.06Å; L182-I243 HydrophobicContact CB-CG1 4.1Å; L182-I243 HydrophobicContact CD2-CG1 4Å; L182-R381 HydrophobicContact CD2-CG 3.68Å; L182-R381 HydrophobicContact CG-CG 3.64Å; L182-R381 PolarHBondContact O-NE 2.73Å; L182-I384 HydrophobicContact CD1-CB 4.24Å; L182-I384 HydrophobicContact CD1-CD1 3.66Å; L182-I384 HydrophobicContact CD1-CG2 3.87Å; L182-I384 HydrophobicContact CD2-CB 4.41Å; L182-I384 HydrophobicContact CD2-CG2 4.37Å; L182-L385 HydrophobicContact CD2-CD2 3.81Å; L182-L385 HydrophobicContact CD2-CG 4.16Å | ||
| 183 | T | 81.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -104.9 | 162.2 | -176.8 | 76.6 | 0 | 0 | 0 | 0 | 112.9 | S185 M186 D203 | T183-S185 PolarHBondContact O-N 3.37Å; T183-S185 PolarHBondContact OG1-N 3.28Å; T183-M186 HydrophobicContact CG2-CE 3.93Å; T183-M186 WeakPolarHBondContact OG1-CG 3.39Å; T183-D203 VanDerWaalsContact CB-OD2 3.3Å; T183-D203 WeakPolarHBondContact CB-OD2 3.37Å; T183-D203 HydrophobicContact CG2-CB 4.12Å | ||
| 184 | M | 77.2 | Confident | 84.8 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.3 | 177.1 | -61.5 | -175 | -64.8 | 0 | 0 | 112.9 | F105 L165 V380 | F105-M184 HydrophobicContact CD1-CE 3.91Å; F105-M184 HydrophobicContact CE1-CE 3.89Å; F105-M184 HydrophobicContact CG-CE 4.31Å; F105-M184 HydrophobicContact CZ-CE 4.26Å; L165-M184 HydrophobicContact CD2-CE 3.99Å; M184-V380 WeakPolarHBondContact O-CG1 3.37Å |
| 185 | S | 80.1 | Confident | 85.4 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -0.8 | -177.3 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | V100 T183 D203 | V100-S185 WeakPolarHBondContact CG1-O 3.36Å; T183-S185 PolarHBondContact O-N 3.37Å; T183-S185 PolarHBondContact OG1-N 3.28Å; S185-D203 WeakPolarHBondContact CB-OD1 3.08Å; S185-D203 PolarHBondContact OG-OD1 3.49Å |
| 186 | M | 80.9 | Confident | 86 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | trans | -86.3 | 150.7 | 178.1 | -73 | 170.9 | -176.2 | 0 | 0 | 111.9 | L182 T183 Y189 S196 I199 I384 | L182-M186 HydrophobicContact CD1-SD 4.01Å; T183-M186 HydrophobicContact CG2-CE 3.93Å; T183-M186 WeakPolarHBondContact OG1-CG 3.39Å; M186-Y189 HydrophobicContact SD-CD2 4.5Å; M186-S196 VanDerWaalsContact CE-O 3.29Å; M186-S196 WeakPolarHBondContact CE-O 3.24Å; M186-I199 HydrophobicContact CG-CG2 3.93Å; M186-I384 HydrophobicContact CB-CD1 3.82Å; M186-I384 VanDerWaalsContact O-CD1 3.25Å; M186-I384 WeakPolarHBondContact O-CD1 3.24Å | ||
| 187 | E | 79.4 | Confident | 86.5 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 47% | 0.467 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -96.3 | -30.4 | 168.8 | -67.5 | -177.1 | 168.6 | 0 | 0 | 111.9 | R98 | R98-E187 IonicContact NH1-OE1 3.65Å; R98-E187 PolarHBondContact NH1-OE1 3.16Å |
| 188 | T | 84.4 | Confident | 86.8 | Confident | 57 Ų | 57 | 42.3 Ų | 42.3 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -144.3 | 145.6 | 178.5 | 59 | 0 | 0 | 0 | 0 | 110 | Q190 | T188-Q190 PolarHBondContact O-N 3.05Š|
| 189 | Y | 88.8 | Confident | 86.9 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 8% | 0.078 | 21% | 0.208 | C | C | . | . | trans | -92.9 | 98.8 | 176.4 | -176.9 | -118.8 | 0 | 0 | 0 | 110.4 | V180 L182 M186 P191 I243 F388 K715 | V180-Y189 PolarHBondContact O-OH 3.26Å; L182-Y189 HydrophobicContact CB-CD2 4.18Å; L182-Y189 HydrophobicContact CB-CE2 4.41Å; L182-Y189 HydrophobicContact CD1-CD2 3.81Å; L182-Y189 HydrophobicContact CD1-CG 4.06Å; M186-Y189 HydrophobicContact SD-CD2 4.5Å; Y189-P191 HydrophobicContact CE1-CG 4.13Å; Y189-P191 HydrophobicContact CE2-CB 4.27Å; Y189-P191 HydrophobicContact CE2-CG 4.36Å; Y189-I243 HydrophobicContact CD1-CD1 3.58Å; Y189-I243 HydrophobicContact CD1-CG1 4.08Å; Y189-I243 HydrophobicContact CE1-CD1 3.56Å; Y189-I243 HydrophobicContact CE1-CG1 3.86Å; Y189-I243 HydrophobicContact CE1-CG2 3.85Å; Y189-I243 HydrophobicContact CG-CD1 4.43Å; Y189-F388 AromaticContact CD1-CD2 3.84Å; Y189-F388 HydrophobicContact CD1-CD2 3.84Å; Y189-F388 AromaticContact CD1-CE2 3.89Å; Y189-F388 HydrophobicContact CD1-CE2 3.89Å; Y189-F388 HydrophobicContact CE1-CE2 4.2Å; Y189-K715 HydrophobicContact CE1-CG 4.12Å | ||
| 190 | Q | 89.2 | Confident | 87 | Confident | 101 Ų | 101 | 43.7 Ų | 43.7 | 47% | 0.472 | 21% | 0.207 | S | C | . | . | trans | -131 | 82.6 | 176.4 | -66.7 | -174.2 | -20.3 | 0 | 0 | 109.4 | T188 R192 N193 S196 | T188-Q190 PolarHBondContact O-N 3.05Å; Q190-R192 PolarHBondContact O-N 3.01Å; Q190-N193 HydrophobicContact CB-CB 3.75Å; Q190-N193 WeakPolarHBondContact O-CB 3.22Å; Q190-N193 PolarHBondContact O-N 3.45Å; Q190-N193 PolarHBondContact OE1-ND2 3.11Å; Q190-S196 VanDerWaalsContact O-CB 3.31Å; Q190-S196 WeakPolarHBondContact O-CB 3.29Å | ||
| 191 | P | 88.2 | Confident | 87.1 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 13% | 0.13 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.4 | -171.4 | 23.8 | -34.4 | 0 | 0 | 0 | 114 | S179 Y189 R197 K715 M719 | S179-P191 WeakPolarHBondContact O-CA 3.34Å; S179-P191 VanDerWaalsContact O-CB 3.27Å; S179-P191 WeakPolarHBondContact O-CB 3.47Å; Y189-P191 HydrophobicContact CE1-CG 4.13Å; Y189-P191 HydrophobicContact CE2-CB 4.27Å; Y189-P191 HydrophobicContact CE2-CG 4.36Å; P191-R197 WeakPolarHBondContact O-CD 3.47Å; P191-R197 VanDerWaalsContact O-CG 3.22Å; P191-R197 WeakPolarHBondContact O-CG 3.16Å; P191-K715 HydrophobicContact CG-CB 4.01Å; P191-M719 HydrophobicContact CB-SD 4.09Å; P191-M719 WeakPolarHBondContact O-CE 3.26Å |
| 192 | R | 88.5 | Confident | 87.2 | Confident | 163 Ų | 163 | 47.2 Ų | 47.2 | 62% | 0.615 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -23.1 | 172.9 | -67 | -175.5 | 179.2 | 178.5 | -1.3 | 113.4 | Q190 T718 M719 | Q190-R192 PolarHBondContact O-N 3.01Å; R192-T718 PolarHBondContact NH2-OG1 2.82Å; R192-M719 HydrophobicContact CG-CG 4.32Å |
| 193 | N | 91.4 | Very high | 87.2 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -73.1 | 130.8 | -177.3 | -171.1 | -59.5 | 0 | 0 | 0 | 110.2 | Q190 K195 S196 R197 | Q190-N193 HydrophobicContact CB-CB 3.75Å; Q190-N193 WeakPolarHBondContact O-CB 3.22Å; Q190-N193 PolarHBondContact O-N 3.45Å; Q190-N193 PolarHBondContact OE1-ND2 3.11Å; N193-K195 PolarHBondContact O-N 2.8Å; N193-K195 VanDerWaalsContact OD1-CB 3.31Å; N193-K195 WeakPolarHBondContact OD1-CB 3.38Å; N193-K195 PolarHBondContact OD1-N 3.32Å; N193-S196 PolarHBondContact O-N 3.01Å; N193-R197 WeakPolarHBondContact O-CG 3.26Å; N193-R197 PolarHBondContact O-N 2.94Å; N193-R197 VanDerWaalsContact O-N 3.13Å |
| 194 | F | 93 | Very high | 87.3 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 179.5 | -178 | -91.5 | 0 | 0 | 0 | 112.6 | S196 R197 L198 V729 F732 | F194-S196 PolarHBondContact O-N 2.97Å; F194-R197 PolarHBondContact O-N 3.12Å; F194-L198 HydrophobicContact CE1-CB 4.44Å; F194-L198 HydrophobicContact CE1-CD2 4.31Å; F194-L198 WeakPolarHBondContact O-CB 3.38Å; F194-L198 PolarHBondContact O-N 3.35Å; F194-V729 HydrophobicContact CD2-CG2 4.01Å; F194-V729 HydrophobicContact CE2-CB 4.34Å; F194-V729 HydrophobicContact CE2-CG2 3.71Å; F194-V729 HydrophobicContact CZ-CG2 4.27Å; F194-F732 HydrophobicContact CE1-CD1 4.06Å; F194-F732 HydrophobicContact CE1-CE1 4.3Å; F194-F732 HydrophobicContact CE1-CG 4.34Å; F194-F732 HydrophobicContact CE2-CB 4.39Å; F194-F732 HydrophobicContact CZ-CB 3.77Å; F194-F732 AromaticContact CZ-CD1 3.72Å; F194-F732 HydrophobicContact CZ-CD1 3.72Å; F194-F732 HydrophobicContact CZ-CD2 4.4Å; F194-F732 HydrophobicContact CZ-CE1 4.4Å; F194-F732 AromaticContact CZ-CG 3.7Å; F194-F732 HydrophobicContact CZ-CG 3.7Å |
| 195 | K | 91.1 | Very high | 87.7 | Confident | 136 Ų | 136 | 52.2 Ų | 52.2 | 59% | 0.591 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.4 | -44.6 | 179.4 | -177.5 | -177.4 | 176.6 | -177.1 | 0 | 111.5 | N193 R197 L198 I199 | N193-K195 PolarHBondContact O-N 2.8Å; N193-K195 VanDerWaalsContact OD1-CB 3.31Å; N193-K195 WeakPolarHBondContact OD1-CB 3.38Å; N193-K195 PolarHBondContact OD1-N 3.32Å; K195-R197 VanDerWaalsContact C-N 3.34Å; K195-R197 PolarHBondContact O-N 3.42Å; K195-L198 PolarHBondContact O-N 2.96Å; K195-I199 HydrophobicContact CG-CD1 4.12Å; K195-I199 WeakPolarHBondContact O-CG1 3.49Å; K195-I199 PolarHBondContact O-N 3.17Å |
| 196 | S | 89.6 | Confident | 87.8 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.4 | -62.9 | 0 | 0 | 0 | 0 | 111 | M186 Q190 N193 F194 I199 G200 | M186-S196 VanDerWaalsContact CE-O 3.29Å; M186-S196 WeakPolarHBondContact CE-O 3.24Å; Q190-S196 VanDerWaalsContact O-CB 3.31Å; Q190-S196 WeakPolarHBondContact O-CB 3.29Å; N193-S196 PolarHBondContact O-N 3.01Å; F194-S196 PolarHBondContact O-N 2.97Å; S196-I199 PolarHBondContact O-N 3.27Å; S196-G200 PolarHBondContact O-N 3.49Å |
| 197 | R | 92.4 | Very high | 87.7 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.9 | -65.9 | -172.1 | -71.2 | 128.9 | 5.4 | 113.2 | S179 P191 N193 F194 K195 G200 V201 T723 D728 V729 | S179-R197 VanDerWaalsContact CB-CD 3.41Å; P191-R197 WeakPolarHBondContact O-CD 3.47Å; P191-R197 VanDerWaalsContact O-CG 3.22Å; P191-R197 WeakPolarHBondContact O-CG 3.16Å; N193-R197 WeakPolarHBondContact O-CG 3.26Å; N193-R197 PolarHBondContact O-N 2.94Å; N193-R197 VanDerWaalsContact O-N 3.13Å; F194-R197 PolarHBondContact O-N 3.12Å; K195-R197 VanDerWaalsContact C-N 3.34Å; K195-R197 PolarHBondContact O-N 3.42Å; R197-G200 PolarHBondContact O-N 3.19Å; R197-V201 WeakPolarHBondContact O-CG2 3.28Å; R197-V201 PolarHBondContact O-N 3.02Å; R197-T723 PolarHBondContact NH1-O 3.26Å; R197-T723 VanDerWaalsContact NH1-O 3.09Å; R197-D728 IonicContact CZ-OD1 2.86Å; R197-D728 IonicContact CZ-OD2 3.35Å; R197-D728 IonicContact NH1-OD1 3.66Å; R197-D728 PolarHBondContact NH1-OD1 2.68Å; R197-D728 IonicContact NH1-OD2 3.37Å; R197-D728 PolarHBondContact NH1-OD2 3.44Å; R197-D728 IonicContact NH2-OD1 3.45Å; R197-D728 IonicContact NH2-OD2 3.12Å; R197-D728 PolarHBondContact NH2-OD2 3.15Å; R197-V729 HydrophobicContact CB-CG2 3.93Å |
| 198 | L | 92.5 | Very high | 87.7 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 173.2 | 177.2 | 63.5 | 0 | 0 | 0 | 111.3 | F194 K195 G200 V201 L202 V729 F732 M733 | F194-L198 HydrophobicContact CE1-CB 4.44Å; F194-L198 HydrophobicContact CE1-CD2 4.31Å; F194-L198 WeakPolarHBondContact O-CB 3.38Å; F194-L198 PolarHBondContact O-N 3.35Å; K195-L198 PolarHBondContact O-N 2.96Å; L198-G200 VanDerWaalsContact C-N 3.31Å; L198-G200 PolarHBondContact O-N 3.48Å; L198-V201 PolarHBondContact O-N 3.02Å; L198-L202 HydrophobicContact CD1-CD1 4.26Å; L198-L202 HydrophobicContact CD1-CG 4.31Å; L198-L202 HydrophobicContact CG-CD1 4.16Å; L198-L202 WeakPolarHBondContact O-CG 3.44Å; L198-L202 PolarHBondContact O-N 2.96Å; L198-V729 HydrophobicContact CB-CG1 4.15Å; L198-V729 HydrophobicContact CD1-CG1 3.72Å; L198-F732 HydrophobicContact CD2-CE1 4.32Å; L198-M733 HydrophobicContact CD1-CG 4.09Å; L198-M733 HydrophobicContact CD1-SD 4.16Å |
| 199 | I | 88.9 | Confident | 87.3 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 174.4 | -67.8 | 166.3 | 0 | 0 | 0 | 110.6 | M186 K195 S196 V201 L202 D203 | M186-I199 HydrophobicContact CG-CG2 3.93Å; K195-I199 HydrophobicContact CG-CD1 4.12Å; K195-I199 WeakPolarHBondContact O-CG1 3.49Å; K195-I199 PolarHBondContact O-N 3.17Å; S196-I199 PolarHBondContact O-N 3.27Å; I199-V201 PolarHBondContact O-N 3.41Å; I199-L202 PolarHBondContact O-N 2.94Å; I199-D203 VanDerWaalsContact O-CB 3.3Å; I199-D203 WeakPolarHBondContact O-CB 3.49Å; I199-D203 PolarHBondContact O-N 3.32Å |
| 200 | G | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S196 R197 L198 D203 Y204 | S196-G200 PolarHBondContact O-N 3.49Å; R197-G200 PolarHBondContact O-N 3.19Å; L198-G200 VanDerWaalsContact C-N 3.31Å; L198-G200 PolarHBondContact O-N 3.48Å; G200-D203 PolarHBondContact O-N 2.8Å; G200-Y204 WeakPolarHBondContact O-CB 3.16Å; G200-Y204 PolarHBondContact O-N 3.43Å |
| 201 | V | 90.9 | Very high | 85.7 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | P178 R197 L198 I199 Y204 F205 V729 L730 M733 | P178-V201 HydrophobicContact CB-CG2 4.15Å; R197-V201 WeakPolarHBondContact O-CG2 3.28Å; R197-V201 PolarHBondContact O-N 3.02Å; L198-V201 PolarHBondContact O-N 3.02Å; I199-V201 PolarHBondContact O-N 3.41Å; V201-Y204 WeakPolarHBondContact O-CB 3.42Å; V201-Y204 PolarHBondContact O-N 3.31Å; V201-F205 HydrophobicContact CG1-CD2 3.91Å; V201-F205 HydrophobicContact CG1-CE2 3.55Å; V201-F205 WeakPolarHBondContact O-CD2 3.27Å; V201-F205 PolarHBondContact O-N 3.19Å; V201-F205 VanDerWaalsContact O-N 3.1Å; V201-V729 HydrophobicContact CB-CG1 4.09Å; V201-V729 HydrophobicContact CG1-CG1 4.37Å; V201-V729 HydrophobicContact CG2-CB 4.48Å; V201-V729 HydrophobicContact CG2-CG1 3.95Å; V201-L730 HydrophobicContact CG1-CD2 4.12Å; V201-M733 HydrophobicContact CG1-SD 3.81Å |
| 202 | L | 88.5 | Confident | 84.8 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -43.8 | 176.4 | -70.6 | 172.9 | 0 | 0 | 0 | 111.6 | L198 I199 Y204 F205 V206 M733 | L198-L202 HydrophobicContact CD1-CD1 4.26Å; L198-L202 HydrophobicContact CD1-CG 4.31Å; L198-L202 HydrophobicContact CG-CD1 4.16Å; L198-L202 WeakPolarHBondContact O-CG 3.44Å; L198-L202 PolarHBondContact O-N 2.96Å; I199-L202 PolarHBondContact O-N 2.94Å; L202-Y204 VanDerWaalsContact C-N 3.33Å; L202-Y204 PolarHBondContact O-N 3.24Å; L202-F205 PolarHBondContact O-N 3.49Å; L202-V206 WeakPolarHBondContact O-CG2 3.38Å; L202-V206 PolarHBondContact O-N 3.02Å; L202-M733 HydrophobicContact CD2-CE 3.95Å |
| 203 | D | 84.9 | Confident | 83.8 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 177.9 | -160.8 | 74 | 0 | 0 | 0 | 111.4 | T183 S185 I199 G200 F205 V206 Q207 | T183-D203 VanDerWaalsContact CB-OD2 3.3Å; T183-D203 WeakPolarHBondContact CB-OD2 3.37Å; T183-D203 HydrophobicContact CG2-CB 4.12Å; S185-D203 WeakPolarHBondContact CB-OD1 3.08Å; S185-D203 PolarHBondContact OG-OD1 3.49Å; I199-D203 VanDerWaalsContact O-CB 3.3Å; I199-D203 WeakPolarHBondContact O-CB 3.49Å; I199-D203 PolarHBondContact O-N 3.32Å; G200-D203 PolarHBondContact O-N 2.8Å; D203-F205 PolarHBondContact O-N 3.5Å; D203-V206 PolarHBondContact O-N 3.49Å; D203-Q207 WeakPolarHBondContact O-CB 3.41Å; D203-Q207 WeakPolarHBondContact O-CG 3.43Å; D203-Q207 PolarHBondContact O-N 2.99Å; D203-Q207 PolarHBondContact OD2-NE2 2.91Å |
| 204 | Y | 85.4 | Confident | 82.6 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.9 | -50.8 | 170.9 | 176.8 | -93.5 | 0 | 0 | 0 | 111.1 | Q166 P178 G200 V201 L202 V206 Q207 Q208 | Q166-Y204 HydrophobicContact CG-CD2 3.7Å; Q166-Y204 HydrophobicContact CG-CE2 4.38Å; P178-Y204 HydrophobicContact CG-CD1 4.43Å; P178-Y204 HydrophobicContact CG-CD2 3.83Å; P178-Y204 HydrophobicContact CG-CG 3.76Å; G200-Y204 WeakPolarHBondContact O-CB 3.16Å; G200-Y204 PolarHBondContact O-N 3.43Å; V201-Y204 WeakPolarHBondContact O-CB 3.42Å; V201-Y204 PolarHBondContact O-N 3.31Å; L202-Y204 VanDerWaalsContact C-N 3.33Å; L202-Y204 PolarHBondContact O-N 3.24Å; Y204-V206 PolarHBondContact O-N 2.88Å; Y204-Q207 PolarHBondContact O-N 2.89Å; Y204-Q208 HydrophobicContact CD1-CG 4.15Å; Y204-Q208 HydrophobicContact CE1-CG 3.79Å; Y204-Q208 HydrophobicContact CE2-CG 4.26Å; Y204-Q208 VanDerWaalsContact O-CG 3.29Å; Y204-Q208 WeakPolarHBondContact O-CG 3.46Å; Y204-Q208 PolarHBondContact O-N 3.45Å; Y204-Q208 PolarHBondContact OH-NE2 3.31Å |
| 205 | F | 84.7 | Confident | 81.2 | Confident | 90 Ų | 90 | 43.9 Ų | 43.9 | 40% | 0.395 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.8 | -75.6 | -64 | 0 | 0 | 0 | 112.6 | V201 L202 D203 Q207 Q208 N209 L730 M733 | V201-F205 HydrophobicContact CG1-CD2 3.91Å; V201-F205 HydrophobicContact CG1-CE2 3.55Å; V201-F205 WeakPolarHBondContact O-CD2 3.27Å; V201-F205 PolarHBondContact O-N 3.19Å; V201-F205 VanDerWaalsContact O-N 3.1Å; L202-F205 PolarHBondContact O-N 3.49Å; D203-F205 PolarHBondContact O-N 3.5Å; F205-Q207 PolarHBondContact O-N 3.42Å; F205-Q208 PolarHBondContact O-N 3Å; F205-N209 WeakPolarHBondContact O-CB 3.47Å; F205-N209 PolarHBondContact O-N 3.06Å; F205-N209 PolarHBondContact O-ND2 3.17Å; F205-L730 HydrophobicContact CE2-CD2 4.4Å; F205-L730 HydrophobicContact CZ-CD2 4.48Å; F205-M733 HydrophobicContact CD2-CE 4.35Å; F205-M733 HydrophobicContact CE2-CE 4.11Å |
| 206 | V | 82.1 | Confident | 79.9 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 28% | 0.279 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | P102 L106 L202 D203 Y204 N209 F210 | P102-V206 HydrophobicContact CB-CG1 4.32Å; L106-V206 HydrophobicContact CD1-CG1 4.21Å; L202-V206 WeakPolarHBondContact O-CG2 3.38Å; L202-V206 PolarHBondContact O-N 3.02Å; D203-V206 PolarHBondContact O-N 3.49Å; Y204-V206 PolarHBondContact O-N 2.88Å; V206-N209 PolarHBondContact O-N 3.19Å; V206-F210 WeakPolarHBondContact O-CB 3.39Å; V206-F210 PolarHBondContact O-N 3.03Å |
| 207 | Q | 79.3 | Confident | 78.4 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 177.7 | -72.7 | -175.8 | 47.9 | 0 | 0 | 112.1 | C167 D203 Y204 F205 F210 W211 | C167-Q207 HydrophobicContact CB-CB 4.02Å; D203-Q207 WeakPolarHBondContact O-CB 3.41Å; D203-Q207 WeakPolarHBondContact O-CG 3.43Å; D203-Q207 PolarHBondContact O-N 2.99Å; D203-Q207 PolarHBondContact OD2-NE2 2.91Å; Y204-Q207 PolarHBondContact O-N 2.89Å; F205-Q207 PolarHBondContact O-N 3.42Å; Q207-F210 PolarHBondContact O-N 3.49Å; Q207-W211 VanDerWaalsContact O-CB 3.28Å; Q207-W211 WeakPolarHBondContact O-CB 3.17Å; Q207-W211 PolarHBondContact O-N 2.89Å |
| 208 | Q | 78 | Confident | 76.7 | Confident | 46 Ų | 46 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.7 | -67.6 | -62 | -21.9 | 0 | 0 | 111.9 | Q170 Y204 F205 W211 L212 | Q170-Q208 VanDerWaalsContact NE2-NE2 3.1Å; Y204-Q208 HydrophobicContact CD1-CG 4.15Å; Y204-Q208 HydrophobicContact CE1-CG 3.79Å; Y204-Q208 HydrophobicContact CE2-CG 4.26Å; Y204-Q208 VanDerWaalsContact O-CG 3.29Å; Y204-Q208 WeakPolarHBondContact O-CG 3.46Å; Y204-Q208 PolarHBondContact O-N 3.45Å; Y204-Q208 PolarHBondContact OH-NE2 3.31Å; F205-Q208 PolarHBondContact O-N 3Å; Q208-W211 PolarHBondContact O-N 3.29Å; Q208-L212 WeakPolarHBondContact O-CB 3.33Å; Q208-L212 PolarHBondContact O-N 2.96Å |
| 209 | N | 77.4 | Confident | 74.8 | Confident | 99 Ų | 99 | 48.2 Ų | 48.2 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 177 | -80.2 | -80.6 | 0 | 0 | 0 | 112.2 | F205 V206 W211 L212 L213 | F205-N209 WeakPolarHBondContact O-CB 3.47Å; F205-N209 PolarHBondContact O-N 3.06Å; F205-N209 PolarHBondContact O-ND2 3.17Å; V206-N209 PolarHBondContact O-N 3.19Å; N209-W211 VanDerWaalsContact C-N 3.27Å; N209-W211 PolarHBondContact O-N 2.92Å; N209-L212 WeakPolarHBondContact O-CB 3.38Å; N209-L212 PolarHBondContact O-N 3.5Å; N209-L213 PolarHBondContact O-N 3.21Å |
| 210 | F | 73.6 | Confident | 72.7 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 172.4 | 171 | -109 | 0 | 0 | 0 | 111 | L106 A109 V206 Q207 L213 F214 | L106-F210 HydrophobicContact CB-CD2 4.13Å; L106-F210 HydrophobicContact CB-CE2 4.18Å; L106-F210 HydrophobicContact CD1-CB 3.92Å; L106-F210 HydrophobicContact CD1-CD2 3.88Å; L106-F210 HydrophobicContact CD1-CG 4.07Å; L106-F210 HydrophobicContact CD2-CB 3.83Å; L106-F210 HydrophobicContact CD2-CD1 3.56Å; L106-F210 HydrophobicContact CD2-CD2 3.31Å; L106-F210 HydrophobicContact CD2-CE1 3.87Å; L106-F210 HydrophobicContact CD2-CE2 3.63Å; L106-F210 HydrophobicContact CD2-CG 3.25Å; L106-F210 HydrophobicContact CD2-CZ 3.9Å; L106-F210 HydrophobicContact CG-CD2 3.93Å; L106-F210 HydrophobicContact CG-CE2 4.34Å; L106-F210 HydrophobicContact CG-CG 4.18Å; A109-F210 HydrophobicContact CB-CZ 4.17Å; V206-F210 WeakPolarHBondContact O-CB 3.39Å; V206-F210 PolarHBondContact O-N 3.03Å; Q207-F210 PolarHBondContact O-N 3.49Å; F210-L213 PolarHBondContact O-N 3.15Å; F210-F214 HydrophobicContact CZ-CD2 4.12Å; F210-F214 HydrophobicContact CZ-CG 4.5Å; F210-F214 VanDerWaalsContact O-CB 3.28Å; F210-F214 WeakPolarHBondContact O-CB 3.22Å; F210-F214 PolarHBondContact O-N 3.2Å |
| 211 | W | 71 | Confident | 70.7 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | -179.9 | -161.2 | -120.4 | 0 | 0 | 0 | 112.7 | I168 Q207 Q208 N209 F214 S215 I223 Y227 | I168-W211 HydrophobicContact CD1-CH2 3.79Å; I168-W211 HydrophobicContact CD1-CZ2 4.21Å; I168-W211 HydrophobicContact CD1-CZ3 4.19Å; I168-W211 HydrophobicContact CG1-CH2 4.08Å; I168-W211 HydrophobicContact CG1-CZ2 4.01Å; Q207-W211 VanDerWaalsContact O-CB 3.28Å; Q207-W211 WeakPolarHBondContact O-CB 3.17Å; Q207-W211 PolarHBondContact O-N 2.89Å; Q208-W211 PolarHBondContact O-N 3.29Å; N209-W211 VanDerWaalsContact C-N 3.27Å; N209-W211 PolarHBondContact O-N 2.92Å; W211-F214 HydrophobicContact CE3-CB 4.38Å; W211-F214 HydrophobicContact CE3-CD1 4.08Å; W211-F214 HydrophobicContact CH2-CD1 4.49Å; W211-F214 AromaticContact CZ3-CD1 3.79Å; W211-F214 HydrophobicContact CZ3-CD1 3.79Å; W211-F214 HydrophobicContact CZ3-CE1 4.27Å; W211-F214 PolarHBondContact O-N 3.28Å; W211-S215 WeakPolarHBondContact O-CB 3.42Å; W211-S215 PolarHBondContact O-N 3.09Å; W211-S215 PolarHBondContact O-OG 3.4Å; W211-I223 HydrophobicContact CH2-CG2 3.81Å; W211-I223 HydrophobicContact CZ2-CG2 3.05Å; W211-Y227 AromaticContact CH2-CE2 3.76Å; W211-Y227 HydrophobicContact CH2-CE2 3.76Å; W211-Y227 HydrophobicContact CZ2-CD2 4.16Å; W211-Y227 AromaticContact CZ2-CE2 3.5Å; W211-Y227 HydrophobicContact CZ2-CE2 3.5Å; W211-Y227 VanDerWaalsContact CZ2-CE2 3.5Å |
| 212 | L | 68.7 | Low | 69.3 | Low | 72 Ų | 72 | 59.1 Ų | 59.1 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 171.9 | -179 | 65.6 | 0 | 0 | 0 | 111.2 | Q208 N209 F214 S215 T216 R220 | Q208-L212 WeakPolarHBondContact O-CB 3.33Å; Q208-L212 PolarHBondContact O-N 2.96Å; N209-L212 WeakPolarHBondContact O-CB 3.38Å; N209-L212 PolarHBondContact O-N 3.5Å; L212-F214 VanDerWaalsContact C-N 3.35Å; L212-F214 PolarHBondContact O-N 2.84Å; L212-S215 PolarHBondContact O-N 2.89Å; L212-S215 PolarHBondContact O-OG 2.99Å; L212-T216 PolarHBondContact O-N 3.14Å; L212-R220 VanDerWaalsContact CD1-NH1 3.34Å |
| 213 | L | 68.1 | Low | 68.2 | Low | 99 Ų | 99 | 55.1 Ų | 55.1 | 52% | 0.518 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 178 | -169.5 | 72.9 | 0 | 0 | 0 | 112.5 | W110 N209 F210 S215 T216 | W110-L213 HydrophobicContact CH2-CG 4.42Å; W110-L213 HydrophobicContact CZ3-CD2 4.18Å; W110-L213 HydrophobicContact CZ3-CG 4.16Å; N209-L213 PolarHBondContact O-N 3.21Å; F210-L213 PolarHBondContact O-N 3.15Å; L213-S215 VanDerWaalsContact C-N 3.31Å; L213-S215 PolarHBondContact O-N 3.4Å; L213-T216 PolarHBondContact O-N 2.65Å; L213-T216 PolarHBondContact O-OG1 2.68Å |
| 214 | F | 65.7 | Low | 67.6 | Low | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.8 | -165.5 | -109.7 | 0 | 0 | 0 | 111.6 | S113 L145 H146 F210 W211 L212 T216 L217 L218 I223 | S113-F214 VanDerWaalsContact CB-CE2 3.46Å; S113-F214 WeakPolarHBondContact OG-CE2 3.4Å; S113-F214 WeakPolarHBondContact OG-CZ 3.32Å; L145-F214 HydrophobicContact CD2-CE1 4.26Å; H146-F214 AromaticContact CE1-CZ 3.82Å; F210-F214 HydrophobicContact CZ-CD2 4.12Å; F210-F214 HydrophobicContact CZ-CG 4.5Å; F210-F214 VanDerWaalsContact O-CB 3.28Å; F210-F214 WeakPolarHBondContact O-CB 3.22Å; F210-F214 PolarHBondContact O-N 3.2Å; W211-F214 HydrophobicContact CE3-CB 4.38Å; W211-F214 HydrophobicContact CE3-CD1 4.08Å; W211-F214 HydrophobicContact CH2-CD1 4.49Å; W211-F214 AromaticContact CZ3-CD1 3.79Å; W211-F214 HydrophobicContact CZ3-CD1 3.79Å; W211-F214 HydrophobicContact CZ3-CE1 4.27Å; W211-F214 PolarHBondContact O-N 3.28Å; L212-F214 VanDerWaalsContact C-N 3.35Å; L212-F214 PolarHBondContact O-N 2.84Å; F214-T216 VanDerWaalsContact C-N 3.28Å; F214-T216 PolarHBondContact O-N 2.9Å; F214-L217 PolarHBondContact O-N 2.86Å; F214-L218 HydrophobicContact CD1-CD1 4.39Å; F214-L218 HydrophobicContact CE1-CD1 3.56Å; F214-L218 HydrophobicContact CE2-CD1 4.41Å; F214-L218 HydrophobicContact CZ-CD1 3.55Å; F214-L218 PolarHBondContact O-N 3Å; F214-I223 HydrophobicContact CD1-CD1 4.24Å |
| 215 | S | 62.8 | Low | 67 | Low | 5 Ų | 5 | 59.2 Ų | 59.2 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72 | -14.7 | 178.5 | 80.3 | 0 | 0 | 0 | 0 | 115.1 | W211 L212 L213 L218 R220 | W211-S215 WeakPolarHBondContact O-CB 3.42Å; W211-S215 PolarHBondContact O-N 3.09Å; W211-S215 PolarHBondContact O-OG 3.4Å; L212-S215 PolarHBondContact O-N 2.89Å; L212-S215 PolarHBondContact O-OG 2.99Å; L213-S215 VanDerWaalsContact C-N 3.31Å; L213-S215 PolarHBondContact O-N 3.4Å; S215-L218 CarbonylContact C-O 3.58Å; S215-L218 WeakPolarHBondContact CA-O 3.48Å; S215-L218 CarbonylContact O-C 3.5Å; S215-R220 WeakPolarHBondContact O-CA 3.35Å; S215-R220 PolarHBondContact O-N 3.3Å; S215-R220 WeakPolarHBondContact OG-CD 3.48Å; S215-R220 WeakPolarHBondContact OG-CG 3.39Å |
| 216 | T | 64 | Low | 66.6 | Low | 101 Ų | 101 | 55.1 Ų | 55.1 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -81.5 | -27 | 172.2 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | L212 L213 F214 | L212-T216 PolarHBondContact O-N 3.14Å; L213-T216 PolarHBondContact O-N 2.65Å; L213-T216 PolarHBondContact O-OG1 2.68Å; F214-T216 VanDerWaalsContact C-N 3.28Å; F214-T216 PolarHBondContact O-N 2.9Å |
| 217 | L | 59 | Low | 66.4 | Low | 78 Ų | 78 | 53.4 Ų | 53.4 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.6 | -43.3 | 172 | -76.4 | -177 | 0 | 0 | 0 | 113.1 | W110 T114 F214 | W110-L217 HydrophobicContact CD2-CD1 4.07Å; W110-L217 HydrophobicContact CE3-CD1 3.69Å; W110-L217 HydrophobicContact CH2-CD1 3.06Å; W110-L217 HydrophobicContact CH2-CD2 3.88Å; W110-L217 HydrophobicContact CH2-CG 3.39Å; W110-L217 HydrophobicContact CZ2-CD1 3.43Å; W110-L217 VanDerWaalsContact CZ2-CD1 3.43Å; W110-L217 HydrophobicContact CZ2-CD2 4.07Å; W110-L217 HydrophobicContact CZ2-CG 4Å; W110-L217 HydrophobicContact CZ3-CD1 3.18Å; W110-L217 HydrophobicContact CZ3-CG 3.8Å; T114-L217 HydrophobicContact CG2-CD1 4.32Å; F214-L217 PolarHBondContact O-N 2.86Å |
| 218 | L | 56.8 | Low | 66.3 | Low | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 107.8 | 178.6 | -64.5 | 173.3 | 0 | 0 | 0 | 106.7 | F117 L145 F214 S215 R220 I223 | F117-L218 HydrophobicContact CD2-CD2 3.54Å; F117-L218 HydrophobicContact CE2-CD2 3.98Å; F117-L218 HydrophobicContact CG-CD2 4.46Å; L145-L218 HydrophobicContact CD2-CB 4.25Å; L145-L218 HydrophobicContact CD2-CD1 3.83Å; F214-L218 HydrophobicContact CD1-CD1 4.39Å; F214-L218 HydrophobicContact CE1-CD1 3.56Å; F214-L218 HydrophobicContact CE2-CD1 4.41Å; F214-L218 HydrophobicContact CZ-CD1 3.55Å; F214-L218 PolarHBondContact O-N 3Å; S215-L218 CarbonylContact C-O 3.58Å; S215-L218 WeakPolarHBondContact CA-O 3.48Å; S215-L218 CarbonylContact O-C 3.5Å; L218-R220 PolarHBondContact O-N 2.94Å; L218-I223 HydrophobicContact CB-CD1 4.41Å |
| 219 | S | 51.2 | Low | 66.3 | Low | 83 Ų | 83 | 54.8 Ų | 54.8 | 58% | 0.58 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -21.7 | 106.4 | -176.9 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | A221 S222 | S219-A221 PolarHBondContact O-N 3.46Å; S219-S222 WeakPolarHBondContact O-CB 3.47Å; S219-S222 PolarHBondContact O-N 3.31Å; S219-S222 PolarHBondContact O-OG 2.67Å; S219-S222 PolarHBondContact OG-OG 3.36Å |
| 220 | R | 46 | Very low | 66.6 | Low | 151 Ų | 151 | 50.3 Ų | 50.3 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -46.9 | -36 | -175.4 | -169.5 | 169.4 | -174.6 | -173.1 | 1.8 | 115.1 | L212 S215 L218 S222 I223 | L212-R220 VanDerWaalsContact CD1-NH1 3.34Å; S215-R220 WeakPolarHBondContact O-CA 3.35Å; S215-R220 PolarHBondContact O-N 3.3Å; S215-R220 WeakPolarHBondContact OG-CD 3.48Å; S215-R220 WeakPolarHBondContact OG-CG 3.39Å; L218-R220 PolarHBondContact O-N 2.94Å; R220-S222 PolarHBondContact O-N 2.99Å; R220-I223 PolarHBondContact O-N 2.71Å |
| 221 | A | 46.9 | Very low | 67.3 | Low | 91 Ų | 91 | 49.3 Ų | 49.3 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -62.3 | -16.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S219 D225 | S219-A221 PolarHBondContact O-N 3.46Å; A221-D225 WeakPolarHBondContact O-CB 3.4Å |
| 222 | S | 61.8 | Low | 68.1 | Low | 39 Ų | 39 | 48.5 Ų | 48.5 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -91.7 | -12.1 | 178.3 | 73 | 0 | 0 | 0 | 0 | 113.9 | S219 R220 F226 | S219-S222 WeakPolarHBondContact O-CB 3.47Å; S219-S222 PolarHBondContact O-N 3.31Å; S219-S222 PolarHBondContact O-OG 2.67Å; S219-S222 PolarHBondContact OG-OG 3.36Å; R220-S222 PolarHBondContact O-N 2.99Å; S222-F226 VanDerWaalsContact O-CB 3.22Å; S222-F226 WeakPolarHBondContact O-CB 3.24Å; S222-F226 PolarHBondContact O-N 2.67Å |
| 223 | I | 65.3 | Low | 69 | Low | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -91.6 | -57.8 | -169.4 | -51 | -157.4 | 0 | 0 | 0 | 112.1 | L145 W211 F214 L218 R220 D225 F226 Y227 | L145-I223 HydrophobicContact CD1-CG1 4.4Å; L145-I223 HydrophobicContact CD2-CB 4.13Å; L145-I223 HydrophobicContact CD2-CD1 3.37Å; L145-I223 HydrophobicContact CD2-CG1 3.37Å; L145-I223 HydrophobicContact CD2-CG2 4.1Å; W211-I223 HydrophobicContact CH2-CG2 3.81Å; W211-I223 HydrophobicContact CZ2-CG2 3.05Å; F214-I223 HydrophobicContact CD1-CD1 4.24Å; L218-I223 HydrophobicContact CB-CD1 4.41Å; R220-I223 PolarHBondContact O-N 2.71Å; I223-D225 PolarHBondContact O-N 2.96Å; I223-F226 WeakPolarHBondContact O-CB 3.42Å; I223-F226 PolarHBondContact O-N 3.33Å; I223-F226 VanDerWaalsContact O-N 3.14Å; I223-Y227 HydrophobicContact CG2-CD2 4.21Å; I223-Y227 HydrophobicContact CG2-CE2 3.97Å; I223-Y227 WeakPolarHBondContact O-CD2 3.48Å; I223-Y227 PolarHBondContact O-N 2.82Å |
| 224 | D | 71.8 | Confident | 70 | Confident | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 177.3 | -67.4 | -17.8 | 0 | 0 | 0 | 108.4 | L171 F226 Y227 T228 | L171-D224 WeakPolarHBondContact CD1-OD1 3.41Å; D224-F226 VanDerWaalsContact C-N 3.28Å; D224-F226 PolarHBondContact O-N 2.64Å; D224-Y227 PolarHBondContact O-N 2.95Å; D224-T228 WeakPolarHBondContact O-CB 3.39Å; D224-T228 VanDerWaalsContact O-CG2 3.23Å; D224-T228 WeakPolarHBondContact O-CG2 3.21Å; D224-T228 PolarHBondContact O-N 3.18Å; D224-T228 PolarHBondContact O-OG1 2.68Å |
| 225 | D | 72.8 | Confident | 71 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -52.1 | -43.6 | 174.5 | -160.1 | 73.7 | 0 | 0 | 0 | 112.8 | W156 A221 I223 Y227 N229 | W156-D225 WeakPolarHBondContact CZ2-O 3.48Å; A221-D225 WeakPolarHBondContact O-CB 3.4Å; I223-D225 PolarHBondContact O-N 2.96Å; D225-Y227 VanDerWaalsContact C-N 3.35Å; D225-Y227 PolarHBondContact O-N 2.95Å; D225-N229 VanDerWaalsContact O-CB 3.22Å; D225-N229 WeakPolarHBondContact O-CB 3.47Å; D225-N229 PolarHBondContact O-N 3.28Å; D225-N229 PolarHBondContact OD1-ND2 2.84Å; D225-N229 PolarHBondContact OD2-ND2 3.41Å |
| 226 | F | 76.2 | Confident | 71.8 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 177.2 | 173 | -100.9 | 0 | 0 | 0 | 112.7 | P142 L145 A148 W156 D158 S222 I223 D224 | P142-F226 HydrophobicContact CB-CE2 4.4Å; P142-F226 HydrophobicContact CB-CZ 4.28Å; P142-F226 HydrophobicContact CG-CE2 3.56Å; P142-F226 HydrophobicContact CG-CZ 3.67Å; L145-F226 HydrophobicContact CD1-CB 3.69Å; L145-F226 HydrophobicContact CD1-CD1 4.1Å; L145-F226 HydrophobicContact CD1-CG 3.84Å; A148-F226 HydrophobicContact CB-CD2 3.27Å; A148-F226 HydrophobicContact CB-CE2 3.47Å; A148-F226 VanDerWaalsContact CB-CE2 3.47Å; A148-F226 HydrophobicContact CB-CG 4.11Å; A148-F226 HydrophobicContact CB-CZ 4.44Å; W156-F226 AromaticContact CD1-CD2 3.92Å; W156-F226 AromaticContact CD1-CE2 3.53Å; W156-F226 AromaticContact CE2-CD2 3.95Å; W156-F226 VanDerWaalsContact CE2-O 3.27Å; W156-F226 HydrophobicContact CG-CE2 4.27Å; W156-F226 HydrophobicContact CZ2-CD2 4.45Å; W156-F226 VanDerWaalsContact CZ2-O 3.27Å; W156-F226 WeakPolarHBondContact CZ2-O 3.45Å; W156-F226 AromaticContact NE1-CD2 3.46Å; W156-F226 AromaticContact NE1-CE2 3.55Å; W156-F226 PolarHBondContact NE1-O 3.2Å; D158-F226 HydrophobicContact CB-CE1 4.35Å; D158-F226 HydrophobicContact CB-CZ 4.29Å; S222-F226 VanDerWaalsContact O-CB 3.22Å; S222-F226 WeakPolarHBondContact O-CB 3.24Å; S222-F226 PolarHBondContact O-N 2.67Å; I223-F226 WeakPolarHBondContact O-CB 3.42Å; I223-F226 PolarHBondContact O-N 3.33Å; I223-F226 VanDerWaalsContact O-N 3.14Å; D224-F226 VanDerWaalsContact C-N 3.28Å; D224-F226 PolarHBondContact O-N 2.64Å |
| 227 | Y | 78.1 | Confident | 72.8 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -82.8 | -38.1 | -179.2 | -67.6 | -64.2 | 0 | 0 | 0 | 112.5 | D158 I168 L171 R172 W211 I223 D224 D225 | D158-Y227 WeakPolarHBondContact OD2-CD1 3.33Å; D158-Y227 WeakPolarHBondContact OD2-CE1 3.24Å; I168-Y227 HydrophobicContact CD1-CE2 4.43Å; I168-Y227 HydrophobicContact CG2-CD1 3.59Å; I168-Y227 HydrophobicContact CG2-CD2 3.98Å; I168-Y227 HydrophobicContact CG2-CE1 3.58Å; I168-Y227 HydrophobicContact CG2-CE2 3.99Å; I168-Y227 HydrophobicContact CG2-CG 3.79Å; L171-Y227 HydrophobicContact CB-CG 4.43Å; L171-Y227 HydrophobicContact CD1-CD2 4.11Å; L171-Y227 HydrophobicContact CD1-CG 4.48Å; R172-Y227 HydrophobicContact CG-CD1 3.64Å; R172-Y227 HydrophobicContact CG-CE1 4.34Å; R172-Y227 HydrophobicContact CG-CG 4.33Å; W211-Y227 AromaticContact CH2-CE2 3.76Å; W211-Y227 HydrophobicContact CH2-CE2 3.76Å; W211-Y227 HydrophobicContact CZ2-CD2 4.16Å; W211-Y227 AromaticContact CZ2-CE2 3.5Å; W211-Y227 HydrophobicContact CZ2-CE2 3.5Å; W211-Y227 VanDerWaalsContact CZ2-CE2 3.5Å; I223-Y227 HydrophobicContact CG2-CD2 4.21Å; I223-Y227 HydrophobicContact CG2-CE2 3.97Å; I223-Y227 WeakPolarHBondContact O-CD2 3.48Å; I223-Y227 PolarHBondContact O-N 2.82Å; D224-Y227 PolarHBondContact O-N 2.95Å; D225-Y227 VanDerWaalsContact C-N 3.35Å; D225-Y227 PolarHBondContact O-N 2.95Å |
| 228 | T | 77.2 | Confident | 73.9 | Confident | 30 Ų | 30 | 34 Ų | 34 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.5 | -28.3 | -174.2 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | L171 D224 L462 | L171-T228 HydrophobicContact CB-CG2 4.42Å; L171-T228 HydrophobicContact CD2-CG2 4.16Å; D224-T228 WeakPolarHBondContact O-CB 3.39Å; D224-T228 VanDerWaalsContact O-CG2 3.23Å; D224-T228 WeakPolarHBondContact O-CG2 3.21Å; D224-T228 PolarHBondContact O-N 3.18Å; D224-T228 PolarHBondContact O-OG1 2.68Å; T228-L462 HydrophobicContact CG2-CD1 3.36Å |
| 229 | N | 78.9 | Confident | 74.9 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 34% | 0.342 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -100.1 | 1.4 | 179.2 | -60.6 | -18.9 | 0 | 0 | 0 | 113.3 | W156 D225 V231 | W156-N229 HydrophobicContact CH2-CB 3.54Å; W156-N229 HydrophobicContact CZ2-CB 3.68Å; D225-N229 VanDerWaalsContact O-CB 3.22Å; D225-N229 WeakPolarHBondContact O-CB 3.47Å; D225-N229 PolarHBondContact O-N 3.28Å; D225-N229 PolarHBondContact OD1-ND2 2.84Å; D225-N229 PolarHBondContact OD2-ND2 3.41Å; N229-V231 PolarHBondContact O-N 3.05Å |
| 230 | A | 83.8 | Confident | 76.5 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | trans | -57.2 | 134.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | D158 Y232 | D158-A230 HydrophobicContact CB-CB 4.09Å; A230-Y232 VanDerWaalsContact C-N 3.34Å; A230-Y232 PolarHBondContact O-N 3.23Å | ||
| 231 | V | 87 | Confident | 78.5 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -59.4 | -50.2 | 177.3 | 171 | 0 | 0 | 0 | 0 | 110 | A155 W156 I157 N229 Y447 A454 | A155-V231 HydrophobicContact CB-CG2 4.13Å; W156-V231 WeakPolarHBondContact O-CB 3.39Å; W156-V231 WeakPolarHBondContact O-CG2 3.44Å; W156-V231 PolarHBondContact O-N 3.13Å; I157-V231 HydrophobicContact CG1-CB 4.04Å; I157-V231 HydrophobicContact CG1-CG1 4.35Å; N229-V231 PolarHBondContact O-N 3.05Å; V231-Y447 HydrophobicContact CB-CD2 4.32Å; V231-Y447 HydrophobicContact CB-CE2 4.3Å; V231-Y447 HydrophobicContact CG1-CD1 4.06Å; V231-Y447 HydrophobicContact CG1-CD2 3.26Å; V231-Y447 HydrophobicContact CG1-CE1 4.43Å; V231-Y447 HydrophobicContact CG1-CE2 3.68Å; V231-Y447 HydrophobicContact CG1-CG 3.48Å; V231-Y447 VanDerWaalsContact CG1-CG 3.48Å; V231-Y447 HydrophobicContact CG2-CD1 4.43Å; V231-Y447 HydrophobicContact CG2-CD2 4.07Å; V231-Y447 HydrophobicContact CG2-CE1 4Å; V231-Y447 HydrophobicContact CG2-CE2 3.57Å; V231-Y447 HydrophobicContact CG2-CG 4.47Å; V231-A454 HydrophobicContact CB-CB 4.43Å; V231-A454 HydrophobicContact CG1-CB 4.12Å; V231-A454 HydrophobicContact CG2-CB 4.21Å |
| 232 | Y | 89 | Confident | 80.5 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 4% | 0.035 | 12% | 0.12 | C | C | . | . | trans | -138.6 | 159.1 | 174.7 | -58 | -53.1 | 0 | 0 | 0 | 110 | I157 D158 A230 N250 F252 W443 I457 | I157-Y232 WeakPolarHBondContact CA-O 3.47Å; I157-Y232 HydrophobicContact CD1-CD2 3.77Å; I157-Y232 HydrophobicContact CG1-CD2 4.11Å; D158-Y232 PolarHBondContact N-O 3.46Å; A230-Y232 VanDerWaalsContact C-N 3.34Å; A230-Y232 PolarHBondContact O-N 3.23Å; Y232-N250 CarbonylContact C-O 3.53Å; Y232-N250 WeakPolarHBondContact CA-O 3.23Å; Y232-N250 WeakPolarHBondContact CB-O 3.43Å; Y232-N250 HydrophobicContact CD1-CB 3.91Å; Y232-N250 HydrophobicContact CE1-CB 4.5Å; Y232-F252 HydrophobicContact CD1-CE1 4.25Å; Y232-F252 HydrophobicContact CD2-CE1 4.34Å; Y232-F252 AromaticContact CG-CE1 3.92Å; Y232-F252 HydrophobicContact CG-CE1 3.92Å; Y232-W443 HydrophobicContact CE2-CB 4.26Å; Y232-W443 WeakPolarHBondContact CE2-O 3.36Å; Y232-I457 HydrophobicContact CE1-CD1 4.12Å | ||
| 233 | S | 87.7 | Confident | 81.6 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.8 | 169.8 | -74.1 | 0 | 0 | 0 | 0 | 109.9 | D158 N250 T251 F252 | D158-S233 CarbonylContact O-C 3.58Å; D158-S233 VanDerWaalsContact O-CA 3.31Å; D158-S233 WeakPolarHBondContact O-CA 3.34Å; S233-N250 PolarHBondContact N-O 2.79Å; S233-T251 VanDerWaalsContact O-CA 3.26Å; S233-T251 WeakPolarHBondContact O-CA 3.41Å; S233-F252 PolarHBondContact O-N 3.07Å |
| 234 | I | 88.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125 | -178.6 | -58.9 | 175 | 0 | 0 | 0 | 110.2 | L45 I157 D158 Y159 S160 F252 I254 | L45-I234 HydrophobicContact CD2-CD1 4.28Å; I157-I234 HydrophobicContact CG2-CD1 3.6Å; I157-I234 HydrophobicContact CG2-CG1 3.86Å; D158-I234 PolarHBondContact O-N 3.22Å; Y159-I234 HydrophobicContact CD1-CB 3.82Å; Y159-I234 HydrophobicContact CD1-CG2 3.59Å; Y159-I234 HydrophobicContact CE1-CB 4.4Å; Y159-I234 HydrophobicContact CE1-CG2 3.65Å; Y159-I234 HydrophobicContact CG-CB 4.06Å; Y159-I234 HydrophobicContact CG-CG2 4.13Å; S160-I234 WeakPolarHBondContact CB-O 3.31Å; S160-I234 PolarHBondContact N-O 3.1Å; I234-F252 CarbonylContact C-O 3.56Å; I234-F252 VanDerWaalsContact CA-O 3.22Å; I234-F252 WeakPolarHBondContact CA-O 3.39Å; I234-F252 HydrophobicContact CD1-CE2 4.05Å; I234-F252 HydrophobicContact CD1-CZ 4.1Å; I234-F252 HydrophobicContact CG1-CD2 4.39Å; I234-F252 HydrophobicContact CG1-CE2 3.76Å; I234-F252 HydrophobicContact CG1-CZ 3.85Å; I234-I254 HydrophobicContact CD1-CD1 3.94Å; I234-I254 HydrophobicContact CG2-CB 4Å; I234-I254 HydrophobicContact CG2-CD1 3.75Å; I234-I254 HydrophobicContact CG2-CG1 3.72Å |
| 235 | G | 85.9 | Confident | 82.9 | Confident | 10 Ų | 10 | 16.6 Ų | 16.6 | 10% | 0.103 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 158.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113 | F252 S253 I254 | G235-F252 PolarHBondContact N-O 3.36Å; G235-S253 CarbonylContact O-C 3.56Å; G235-S253 VanDerWaalsContact O-CA 3.22Å; G235-S253 WeakPolarHBondContact O-CA 3.43Å; G235-I254 PolarHBondContact O-N 3.48Å |
| 236 | S | 80.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 14.5 Ų | 14.5 | 10% | 0.098 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -103.3 | 11.8 | -175.5 | 65.3 | 0 | 0 | 0 | 0 | 115.6 | S160 T161 I254 I357 | S160-S236 WeakPolarHBondContact O-CB 3.08Å; S160-S236 PolarHBondContact O-N 3.08Å; T161-S236 PolarHBondContact O-OG 2.88Å; S236-I254 WeakPolarHBondContact CA-O 3.4Å; S236-I357 VanDerWaalsContact OG-CD1 3.25Å; S236-I357 WeakPolarHBondContact OG-CD1 3.33Å |
| 237 | M | 84.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 16.4 Ų | 16.4 | 7% | 0.069 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -136.5 | 132.6 | 179.5 | -173 | 179.6 | -68.1 | 0 | 0 | 110.6 | L241 D242 S253 I357 F360 N382 L385 | M237-L241 HydrophobicContact CG-CB 4.27Å; M237-L241 HydrophobicContact CG-CD2 4.23Å; M237-L241 HydrophobicContact CG-CG 4.34Å; M237-L241 HydrophobicContact SD-CG 4.33Å; M237-D242 HydrophobicContact CG-CB 4.25Å; M237-D242 HydrophobicContact SD-CB 3.79Å; M237-S253 WeakPolarHBondContact O-CB 2.98Å; M237-S253 PolarHBondContact O-OG 3.39Å; M237-I357 HydrophobicContact CB-CD1 4.35Å; M237-I357 HydrophobicContact CE-CD1 3.88Å; M237-I357 HydrophobicContact CE-CG1 3.69Å; M237-F360 HydrophobicContact CE-CD1 4.3Å; M237-F360 HydrophobicContact CE-CE1 4.41Å; M237-N382 WeakPolarHBondContact CE-OD1 3.39Å; M237-L385 HydrophobicContact CE-CD1 4.16Å; M237-L385 HydrophobicContact SD-CD1 3.64Å |
| 238 | S | 81.8 | Confident | 83.2 | Confident | 17 Ų | 17 | 16.2 Ų | 16.2 | 12% | 0.119 | 9% | 0.094 | C | C | . | . | trans | -58.6 | 137.1 | 172.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | M240 L241 D242 L429 | S238-M240 PolarHBondContact O-N 2.8Å; S238-M240 PolarHBondContact OG-N 2.84Å; S238-L241 PolarHBondContact O-N 3.26Å; S238-D242 PolarHBondContact O-N 3.25Å; S238-L429 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 239 | S | 78.3 | Confident | 83.1 | Confident | 26 Ų | 26 | 18.4 Ų | 18.4 | 18% | 0.182 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.9 | 174.7 | 43.2 | 0 | 0 | 0 | 0 | 113.4 | D242 I244 M504 | S239-D242 CarbonylContact O-C 3.6Å; S239-D242 VanDerWaalsContact O-O 3.09Å; S239-I244 WeakPolarHBondContact O-CD1 3.3Å; S239-M504 PolarHBondContact OG-SD 3.44Å |
| 240 | M | 84 | Confident | 83.2 | Confident | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -34.6 | 172.5 | -70.8 | -175.6 | -162.5 | 0 | 0 | 112.7 | S238 H389 L429 M504 W698 F701 | S238-M240 PolarHBondContact O-N 2.8Å; S238-M240 PolarHBondContact OG-N 2.84Å; M240-H389 PolarHBondContact O-CE1 2.79Å; M240-L429 HydrophobicContact CB-CD2 3.66Å; M240-L429 HydrophobicContact SD-CD2 4.35Å; M240-M504 HydrophobicContact CB-CE 4.36Å; M240-M504 HydrophobicContact CE-CE 3.72Å; M240-M504 HydrophobicContact CE-SD 3.99Å; M240-M504 HydrophobicContact CG-CE 3.18Å; M240-M504 HydrophobicContact CG-SD 3.51Å; M240-M504 VanDerWaalsContact CG-SD 3.51Å; M240-M504 HydrophobicContact SD-CE 4.23Å; M240-W698 HydrophobicContact CE-CH2 3.78Å; M240-W698 HydrophobicContact CE-CZ3 3.77Å; M240-F701 HydrophobicContact CE-CE1 4.19Å; M240-F701 HydrophobicContact CE-CE2 4.21Å; M240-F701 HydrophobicContact CE-CZ 3.66Å; M240-F701 HydrophobicContact SD-CZ 4Å |
| 241 | L | 88.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -29.4 | 177.2 | -176.3 | 57.6 | 0 | 0 | 0 | 111 | M237 S238 F360 V364 H389 L425 L429 | M237-L241 HydrophobicContact CG-CB 4.27Å; M237-L241 HydrophobicContact CG-CD2 4.23Å; M237-L241 HydrophobicContact CG-CG 4.34Å; M237-L241 HydrophobicContact SD-CG 4.33Å; S238-L241 PolarHBondContact O-N 3.26Å; L241-F360 HydrophobicContact CD1-CE1 3.57Å; L241-F360 HydrophobicContact CD1-CZ 3.67Å; L241-F360 HydrophobicContact CD2-CD1 3.99Å; L241-F360 HydrophobicContact CD2-CE1 3.65Å; L241-F360 HydrophobicContact CG-CD1 4.41Å; L241-F360 HydrophobicContact CG-CE1 3.58Å; L241-F360 HydrophobicContact CG-CZ 4.2Å; L241-V364 HydrophobicContact CD1-CG2 4Å; L241-H389 PolarHBondContact O-NE2 2.73Å; L241-L425 HydrophobicContact CD1-CD2 3.96Å; L241-L429 HydrophobicContact CB-CD1 4.15Å; L241-L429 HydrophobicContact CB-CD2 4.33Å; L241-L429 HydrophobicContact CD1-CD1 4.28Å |
| 242 | D | 87.9 | Confident | 83.1 | Confident | 27 Ų | 27 | 16.5 Ų | 16.5 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -88 | -177.3 | 176.6 | -153.1 | 0 | 0 | 0 | 0 | 113.5 | M237 S238 S239 R381 | M237-D242 HydrophobicContact CG-CB 4.25Å; M237-D242 HydrophobicContact SD-CB 3.79Å; S238-D242 PolarHBondContact O-N 3.25Å; S239-D242 CarbonylContact O-C 3.6Å; S239-D242 VanDerWaalsContact O-O 3.09Å; D242-R381 IonicContact OD1-CZ 3.47Å; D242-R381 IonicContact OD1-NH1 3Å; D242-R381 PolarHBondContact OD1-NH1 2.9Å; D242-R381 IonicContact OD1-NH2 2.87Å; D242-R381 PolarHBondContact OD1-NH2 2.93Å; D242-R381 IonicContact OD2-CZ 2.5Å; D242-R381 IonicContact OD2-NH1 2.94Å; D242-R381 IonicContact OD2-NH2 3.56Å; D242-R381 PolarHBondContact OD2-NH2 3.08Å |
| 243 | I | 85.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 16.9 Ų | 16.9 | 4% | 0.036 | 10% | 0.096 | C | C | . | . | trans | -76.5 | 124.4 | 164.9 | -55.4 | -52.8 | 0 | 0 | 0 | 109.1 | L182 Y189 L245 L385 F388 | L182-I243 HydrophobicContact CB-CG1 4.1Å; L182-I243 HydrophobicContact CD2-CG1 4Å; Y189-I243 HydrophobicContact CD1-CD1 3.58Å; Y189-I243 HydrophobicContact CD1-CG1 4.08Å; Y189-I243 HydrophobicContact CE1-CD1 3.56Å; Y189-I243 HydrophobicContact CE1-CG1 3.86Å; Y189-I243 HydrophobicContact CE1-CG2 3.85Å; Y189-I243 HydrophobicContact CG-CD1 4.43Å; I243-L245 HydrophobicContact CG2-CG 4.49Å; I243-L245 PolarHBondContact O-N 3.01Å; I243-L385 HydrophobicContact CD1-CD2 3.91Å; I243-L385 HydrophobicContact CG1-CD2 4.06Å; I243-F388 HydrophobicContact CD1-CD1 3.69Å; I243-F388 HydrophobicContact CD1-CD2 4.16Å; I243-F388 HydrophobicContact CD1-CE1 3.51Å; I243-F388 HydrophobicContact CD1-CE2 4Å; I243-F388 HydrophobicContact CD1-CG 4.01Å; I243-F388 HydrophobicContact CD1-CZ 3.67Å | ||
| 244 | I | 82.3 | Confident | 82.9 | Confident | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.036 | 10% | 0.096 | C | C | . | . | trans | -62.3 | 121.1 | 176.3 | -53.7 | -72.4 | 0 | 0 | 0 | 109.9 | S239 T503 M504 H711 L714 | S239-I244 WeakPolarHBondContact O-CD1 3.3Å; I244-T503 HydrophobicContact CG2-CG2 4.47Å; I244-M504 HydrophobicContact CD1-CB 4.28Å; I244-M504 HydrophobicContact CD1-CE 4.09Å; I244-H711 WeakPolarHBondContact CG1-O 3.48Å; I244-L714 HydrophobicContact CG2-CD2 4.08Å; I244-L714 HydrophobicContact CG2-CG 4.48Å; I244-L714 WeakPolarHBondContact O-CD2 3.46Å | ||
| 245 | L | 82.3 | Confident | 82.4 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | trans | -136.5 | 148.4 | 176.7 | -66.8 | 174.4 | 0 | 0 | 0 | 109 | V176 V180 E181 I243 Q247 | V176-L245 HydrophobicContact CG1-CD2 4.41Å; V176-L245 HydrophobicContact CG2-CD1 4.5Å; V180-L245 HydrophobicContact CG2-CD2 4.18Å; E181-L245 HydrophobicContact CG-CD1 4.34Å; I243-L245 HydrophobicContact CG2-CG 4.49Å; I243-L245 PolarHBondContact O-N 3.01Å; L245-Q247 PolarHBondContact O-N 2.75Å | ||
| 246 | P | 79.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 20 Ų | 20 | 16% | 0.162 | 11% | 0.106 | C | C | . | . | trans | -60 | 135.8 | 176.3 | -21.7 | 33.2 | 0 | 0 | 0 | 112.5 | R169 A174 V176 P501 Q502 T503 L714 | R169-P246 PolarHBondContact NH2-O 3.31Å; A174-P246 HydrophobicContact CB-CB 4.24Å; V176-P246 HydrophobicContact CG1-CG 4.34Å; P246-P501 HydrophobicContact CB-CB 3.74Å; P246-Q502 CarbonylContact C-O 3.58Å; P246-Q502 WeakPolarHBondContact CA-O 3.34Å; P246-T503 HydrophobicContact CB-CG2 4.05Å; P246-T503 HydrophobicContact CG-CG2 3.87Å; P246-L714 HydrophobicContact CG-CD2 4.21Å | ||
| 247 | Q | 78.1 | Confident | 82.1 | Confident | 45 Ų | 45 | 21.5 Ų | 21.5 | 21% | 0.21 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | 149.7 | 176.8 | -71 | -179.6 | -25.4 | 0 | 0 | 109.6 | L245 P501 Q502 | L245-Q247 PolarHBondContact O-N 2.75Å; Q247-P501 CarbonylContact O-C 3.59Å; Q247-P501 WeakPolarHBondContact O-CA 3.47Å; Q247-Q502 PolarHBondContact N-O 2.99Å; Q247-Q502 PolarHBondContact O-N 2.58Å |
| 248 | T | 76.6 | Confident | 82.2 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | trans | -81 | 159.4 | 172.8 | 45.3 | 0 | 0 | 0 | 0 | 110.3 | A173 N250 T251 I499 | A173-T248 WeakPolarHBondContact CA-OG1 3.18Å; A173-T248 WeakPolarHBondContact O-CG2 3.35Å; T248-N250 WeakPolarHBondContact CB-OD1 3.42Å; T248-N250 PolarHBondContact O-N 3.38Å; T248-N250 PolarHBondContact OG1-OD1 3.48Å; T248-T251 WeakPolarHBondContact O-CA 3.33Å; T248-T251 WeakPolarHBondContact O-CB 3.29Å; T248-T251 PolarHBondContact O-N 2.85Å; T248-T251 VanDerWaalsContact O-O 3.04Å; T248-T251 PolarHBondContact OG1-OG1 2.04Å; T248-I499 HydrophobicContact CG2-CG2 3.75Å | ||
| 249 | M | 74.6 | Confident | 82.4 | Confident | 76 Ų | 76 | 23.7 Ų | 23.7 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.5 | -175.5 | -173 | 59.5 | 69 | 0 | 0 | 113.8 | T251 T494 | M249-T251 PolarHBondContact O-N 3.07Å; M249-T494 HydrophobicContact CB-CG2 4.08Å; M249-T494 HydrophobicContact CE-CG2 3.67Å; M249-T494 HydrophobicContact CG-CG2 3.95Å |
| 250 | N | 80.8 | Confident | 82.7 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.4 | 173.8 | 66 | -29 | 0 | 0 | 0 | 113.5 | Y232 S233 T248 I457 | Y232-N250 CarbonylContact C-O 3.53Å; Y232-N250 WeakPolarHBondContact CA-O 3.23Å; Y232-N250 WeakPolarHBondContact CB-O 3.43Å; Y232-N250 HydrophobicContact CD1-CB 3.91Å; Y232-N250 HydrophobicContact CE1-CB 4.5Å; S233-N250 PolarHBondContact N-O 2.79Å; T248-N250 WeakPolarHBondContact CB-OD1 3.42Å; T248-N250 PolarHBondContact O-N 3.38Å; T248-N250 PolarHBondContact OG1-OD1 3.48Å; N250-I457 HydrophobicContact CB-CG2 3.3Å; N250-I457 VanDerWaalsContact CG-CG2 3.48Å; N250-I457 WeakPolarHBondContact ND2-CG2 3.28Å |
| 251 | T | 84.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.6 | 175.8 | -39.9 | 0 | 0 | 0 | 0 | 109.3 | M164 R172 A173 S233 T248 M249 | M164-T251 HydrophobicContact CE-CG2 3.68Å; R172-T251 PolarHBondContact O-OG1 3.37Å; A173-T251 HydrophobicContact CB-CG2 3.96Å; S233-T251 VanDerWaalsContact O-CA 3.26Å; S233-T251 WeakPolarHBondContact O-CA 3.41Å; T248-T251 WeakPolarHBondContact O-CA 3.33Å; T248-T251 WeakPolarHBondContact O-CB 3.29Å; T248-T251 PolarHBondContact O-N 2.85Å; T248-T251 VanDerWaalsContact O-O 3.04Å; T248-T251 PolarHBondContact OG1-OG1 2.04Å; M249-T251 PolarHBondContact O-N 3.07Å |
| 252 | F | 83.6 | Confident | 82.1 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 159.8 | 175.8 | 55.4 | -90.3 | 0 | 0 | 0 | 110.5 | Y232 S233 I234 G235 I254 W443 | Y232-F252 HydrophobicContact CD1-CE1 4.25Å; Y232-F252 HydrophobicContact CD2-CE1 4.34Å; Y232-F252 AromaticContact CG-CE1 3.92Å; Y232-F252 HydrophobicContact CG-CE1 3.92Å; S233-F252 PolarHBondContact O-N 3.07Å; I234-F252 CarbonylContact C-O 3.56Å; I234-F252 VanDerWaalsContact CA-O 3.22Å; I234-F252 WeakPolarHBondContact CA-O 3.39Å; I234-F252 HydrophobicContact CD1-CE2 4.05Å; I234-F252 HydrophobicContact CD1-CZ 4.1Å; I234-F252 HydrophobicContact CG1-CD2 4.39Å; I234-F252 HydrophobicContact CG1-CE2 3.76Å; I234-F252 HydrophobicContact CG1-CZ 3.85Å; G235-F252 PolarHBondContact N-O 3.36Å; F252-I254 HydrophobicContact CD2-CG1 4.34Å; F252-I254 HydrophobicContact CE2-CD1 4.32Å; F252-I254 HydrophobicContact CE2-CG1 4.17Å; F252-W443 HydrophobicContact CE1-CB 4.14Å; F252-W443 HydrophobicContact CE1-CG 4.28Å; F252-W443 HydrophobicContact CZ-CB 3.88Å; F252-W443 HydrophobicContact CZ-CG 4.29Å |
| 253 | S | 85.5 | Confident | 82.2 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 141.7 | 173.7 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | G235 M237 E436 | G235-S253 CarbonylContact O-C 3.56Å; G235-S253 VanDerWaalsContact O-CA 3.22Å; G235-S253 WeakPolarHBondContact O-CA 3.43Å; M237-S253 WeakPolarHBondContact O-CB 2.98Å; M237-S253 PolarHBondContact O-OG 3.39Å; S253-E436 VanDerWaalsContact O-OE2 3.07Å |
| 254 | I | 86.6 | Confident | 82.7 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -106.5 | 108.8 | 158.3 | -63 | 174.4 | 0 | 0 | 0 | 105.5 | L45 I234 G235 S236 F252 E436 | L45-I254 HydrophobicContact CD1-CD1 3.98Å; L45-I254 HydrophobicContact CD2-CD1 3.54Å; L45-I254 HydrophobicContact CG-CD1 4.29Å; I234-I254 HydrophobicContact CD1-CD1 3.94Å; I234-I254 HydrophobicContact CG2-CB 4Å; I234-I254 HydrophobicContact CG2-CD1 3.75Å; I234-I254 HydrophobicContact CG2-CG1 3.72Å; G235-I254 PolarHBondContact O-N 3.48Å; S236-I254 WeakPolarHBondContact CA-O 3.4Å; F252-I254 HydrophobicContact CD2-CG1 4.34Å; F252-I254 HydrophobicContact CE2-CD1 4.32Å; F252-I254 HydrophobicContact CE2-CG1 4.17Å; I254-E436 HydrophobicContact CG2-CB 4.39Å | ||
| 255 | D | 79.4 | Confident | 83.3 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | trans | -68.9 | 149.4 | -179.5 | -162.5 | 16.4 | 0 | 0 | 0 | 110.9 | A257 R361 E436 | D255-A257 PolarHBondContact O-N 3.32Å; D255-A257 VanDerWaalsContact O-N 3.1Å; D255-R361 IonicContact OD1-NE 3.44Å; D255-R361 PolarHBondContact OD1-NE 3.21Å; D255-R361 IonicContact OD2-CZ 2.9Å; D255-R361 IonicContact OD2-NE 2.82Å; D255-R361 PolarHBondContact OD2-NE 2.99Å; D255-R361 IonicContact OD2-NH2 3.96Å; D255-R361 PolarHBondContact OD2-NH2 2.79Å; D255-E436 HydrophobicContact CB-CG 4.41Å | ||
| 256 | Y | 80.2 | Confident | 84 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | trans | -66.3 | 114.3 | 171.2 | 175.1 | -103.2 | 0 | 0 | 0 | 108.8 | C258 P259 K358 R361 E362 | Y256-C258 PolarHBondContact O-N 2.75Å; Y256-P259 HydrophobicContact CE1-CG 4.19Å; Y256-K358 HydrophobicContact CD1-CB 4.48Å; Y256-K358 HydrophobicContact CD1-CG 4.5Å; Y256-K358 HydrophobicContact CD2-CD 3.97Å; Y256-K358 HydrophobicContact CD2-CG 4.14Å; Y256-K358 HydrophobicContact CE1-CB 4.32Å; Y256-K358 HydrophobicContact CE2-CD 3.72Å; Y256-K358 HydrophobicContact CE2-CG 4.24Å; Y256-K358 HydrophobicContact CG-CG 4.26Å; Y256-R361 HydrophobicContact CD1-CB 4.22Å; Y256-R361 HydrophobicContact CD1-CG 4.07Å; Y256-E362 HydrophobicContact CE1-CG 3.75Å; Y256-E362 WeakPolarHBondContact CE1-OE1 3.21Å; Y256-E362 PolarHBondContact OH-OE1 3.06Å | ||
| 257 | A | 79.8 | Confident | 84.8 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 138 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D255 | D255-A257 PolarHBondContact O-N 3.32Å; D255-A257 VanDerWaalsContact O-N 3.1Å |
| 258 | C | 87 | Confident | 85.8 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 130.6 | 174.7 | -62 | 0 | 0 | 0 | 0 | 109.5 | Y256 K260 C365 | Y256-C258 PolarHBondContact O-N 2.75Å; C258-K260 PolarHBondContact O-N 3.31Å; C258-C365 WeakPolarHBondContact CA-SG 3.25Å; C258-C365 HydrophobicContact CB-CB 3.69Å; C258-C365 WeakPolarHBondContact CB-SG 3.26Å; C258-C365 WeakPolarHBondContact SG-CB 3.15Å; C258-C365 CovalentContact SG-SG 2.03Å; C258-C365 PolarHBondContact SG-SG 2.87Å |
| 259 | P | 85.7 | Confident | 86.8 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 141.2 | 175.2 | -26.7 | 33.9 | 0 | 0 | 0 | 111.2 | Y256 P340 E362 F366 | Y256-P259 HydrophobicContact CE1-CG 4.19Å; P259-P340 HydrophobicContact CB-CB 3.79Å; P259-P340 HydrophobicContact CB-CG 4.41Å; P259-P340 HydrophobicContact CG-CB 4.04Å; P259-P340 HydrophobicContact CG-CG 4.33Å; P259-E362 HydrophobicContact CG-CG 3.79Å; P259-F366 HydrophobicContact CB-CZ 4.11Å; P259-F366 HydrophobicContact CG-CE2 4.27Å; P259-F366 HydrophobicContact CG-CZ 4.23Å; P259-F366 WeakPolarHBondContact O-CZ 3.3Å |
| 260 | K | 85.2 | Confident | 87.9 | Confident | 193 Ų | 193 | 64.4 Ų | 64.4 | 84% | 0.839 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -67 | 163 | 175.2 | -66.5 | -173.8 | 179 | -177.9 | 0 | 110.9 | C258 A262 Q344 | C258-K260 PolarHBondContact O-N 3.31Å; K260-A262 PolarHBondContact O-N 2.7Å; K260-Q344 PolarHBondContact O-NE2 3.45Å |
| 261 | A | 77.7 | Confident | 88.7 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 76% | 0.76 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 122.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 262 | A | 81.9 | Confident | 89.3 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | trans | -130.5 | 128.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | K260 A341 | K260-A262 PolarHBondContact O-N 2.7Å; A262-A341 HydrophobicContact CB-CB 4Å; A262-A341 WeakPolarHBondContact O-CB 3.4Å | ||
| 263 | N | 89.7 | Confident | 90 | Very high | 161 Ų | 161 | 68 Ų | 68 | 86% | 0.861 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 142.1 | 176.4 | -68.6 | -13.8 | 0 | 0 | 0 | 109.7 | ||
| 264 | L | 95.4 | Very high | 90.5 | Very high | 21 Ų | 21 | 69 Ų | 69 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 150.7 | 166.2 | -69.4 | 173.1 | 0 | 0 | 0 | 109.3 | Q269 V272 P338 A341 L342 H345 | L264-Q269 HydrophobicContact CB-CB 4.14Å; L264-V272 HydrophobicContact CD1-CB 4.45Å; L264-V272 HydrophobicContact CD1-CG2 4.41Å; L264-P338 HydrophobicContact CD2-CG 4.07Å; L264-A341 HydrophobicContact CD2-CB 3.57Å; L264-A341 HydrophobicContact CG-CB 4.16Å; L264-L342 HydrophobicContact CD1-CD2 4.38Å; L264-L342 HydrophobicContact CD2-CD2 3.79Å; L264-L342 HydrophobicContact CD2-CG 3.91Å; L264-H345 HydrophobicContact CD1-CB 4.33Å |
| 265 | T | 95.9 | Very high | 91 | Very high | 80 Ų | 80 | 74.6 Ų | 74.6 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 157.7 | 165.4 | 67.4 | 0 | 0 | 0 | 0 | 109 | E267 Y268 Q269 | T265-E267 PolarHBondContact O-N 3.47Å; T265-E267 VanDerWaalsContact O-N 3.13Å; T265-Y268 PolarHBondContact O-N 2.66Å; T265-Y268 VanDerWaalsContact O-N 3.11Å; T265-Y268 WeakPolarHBondContact OG1-CD2 3.47Å; T265-Q269 WeakPolarHBondContact O-CB 3.41Å; T265-Q269 PolarHBondContact O-N 2.5Å |
| 266 | Y | 96.6 | Very high | 91.8 | Very high | 185 Ų | 185 | 78.2 Ų | 78.2 | 73% | 0.725 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -50.7 | -40 | 178.4 | 178.4 | -100.5 | 0 | 0 | 0 | 112.7 | Q269 N270 | Y266-Q269 PolarHBondContact O-N 3.24Å; Y266-N270 VanDerWaalsContact O-CB 3.3Å; Y266-N270 WeakPolarHBondContact O-CB 3.49Å; Y266-N270 PolarHBondContact O-N 3.03Å |
| 267 | E | 97 | Very high | 92.7 | Very high | 117 Ų | 117 | 75.9 Ų | 75.9 | 55% | 0.547 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -52.2 | 177.6 | -173.3 | -168.5 | 176.4 | 0 | 0 | 112.8 | T265 Q269 F271 K332 | T265-E267 PolarHBondContact O-N 3.47Å; T265-E267 VanDerWaalsContact O-N 3.13Å; E267-Q269 VanDerWaalsContact C-N 3.35Å; E267-F271 WeakPolarHBondContact O-CB 3.41Å; E267-F271 PolarHBondContact O-N 3.02Å; E267-F271 VanDerWaalsContact O-N 3.13Å; E267-K332 VanDerWaalsContact CD-NZ 3.3Å; E267-K332 WeakPolarHBondContact OE1-CE 3.45Å; E267-K332 IonicContact OE1-NZ 2.89Å; E267-K332 PolarHBondContact OE1-NZ 2.89Å; E267-K332 IonicContact OE2-NZ 3.13Å |
| 268 | Y | 97.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 80.5 Ų | 80.5 | 7% | 0.071 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 178.1 | -77.4 | -74.2 | 0 | 0 | 0 | 111.8 | T265 F271 V272 V315 K332 D334 P338 L342 | T265-Y268 PolarHBondContact O-N 2.66Å; T265-Y268 VanDerWaalsContact O-N 3.11Å; T265-Y268 WeakPolarHBondContact OG1-CD2 3.47Å; Y268-F271 PolarHBondContact O-N 3.48Å; Y268-V272 VanDerWaalsContact O-CB 3.26Å; Y268-V272 WeakPolarHBondContact O-CB 3.31Å; Y268-V272 VanDerWaalsContact O-CG2 3.23Å; Y268-V272 WeakPolarHBondContact O-CG2 2.99Å; Y268-V272 PolarHBondContact O-N 3.48Å; Y268-V315 HydrophobicContact CE1-CG1 3.97Å; Y268-K332 HydrophobicContact CD1-CD 3.97Å; Y268-K332 HydrophobicContact CE1-CD 3.83Å; Y268-K332 HydrophobicContact CE1-CG 4.43Å; Y268-D334 VanDerWaalsContact CZ-OD2 3.29Å; Y268-D334 PolarHBondContact OH-OD2 2.71Å; Y268-P338 HydrophobicContact CD1-CG 4.4Å; Y268-P338 HydrophobicContact CD2-CG 3.62Å; Y268-P338 HydrophobicContact CE1-CG 4.35Å; Y268-P338 HydrophobicContact CE2-CG 3.58Å; Y268-P338 HydrophobicContact CG-CG 4.06Å; Y268-L342 HydrophobicContact CD1-CD2 4.2Å |
| 269 | Q | 97.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 78.1 Ų | 78.1 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -52 | 178.6 | -173.6 | 171.7 | 6 | 0 | 0 | 110.6 | L264 T265 Y266 E267 F271 V272 E273 | L264-Q269 HydrophobicContact CB-CB 4.14Å; T265-Q269 WeakPolarHBondContact O-CB 3.41Å; T265-Q269 PolarHBondContact O-N 2.5Å; Y266-Q269 PolarHBondContact O-N 3.24Å; E267-Q269 VanDerWaalsContact C-N 3.35Å; Q269-F271 VanDerWaalsContact C-N 3.28Å; Q269-F271 PolarHBondContact O-N 2.77Å; Q269-V272 PolarHBondContact O-N 3.09Å; Q269-E273 HydrophobicContact CG-CG 4.13Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.04Å; Q269-E273 WeakPolarHBondContact CG-OE2 3.39Å; Q269-E273 PolarHBondContact NE2-OE1 3.17Å; Q269-E273 PolarHBondContact NE2-OE2 2.96Å; Q269-E273 VanDerWaalsContact O-CB 3.3Å; Q269-E273 WeakPolarHBondContact O-CB 3.3Å; Q269-E273 WeakPolarHBondContact O-CG 3.49Å; Q269-E273 PolarHBondContact O-N 2.98Å |
| 270 | N | 97.5 | Very high | 94.7 | Very high | 104 Ų | 104 | 76.9 Ų | 76.9 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60 | -37.9 | 178.4 | -171.8 | 46.8 | 0 | 0 | 0 | 112.3 | Y266 | Y266-N270 VanDerWaalsContact O-CB 3.3Å; Y266-N270 WeakPolarHBondContact O-CB 3.49Å; Y266-N270 PolarHBondContact O-N 3.03Å |
| 271 | F | 98.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 176 | -178.9 | -95.9 | 0 | 0 | 0 | 112.8 | E267 Y268 Q269 R313 V315 N330 K332 | E267-F271 WeakPolarHBondContact O-CB 3.41Å; E267-F271 PolarHBondContact O-N 3.02Å; E267-F271 VanDerWaalsContact O-N 3.13Å; Y268-F271 PolarHBondContact O-N 3.48Å; Q269-F271 VanDerWaalsContact C-N 3.28Å; Q269-F271 PolarHBondContact O-N 2.77Å; F271-R313 HydrophobicContact CD1-CB 4.28Å; F271-R313 HydrophobicContact CE1-CB 3.78Å; F271-R313 HydrophobicContact CE1-CG 4.44Å; F271-R313 HydrophobicContact CZ-CB 4.22Å; F271-R313 WeakPolarHBondContact O-CD 3.43Å; F271-R313 VanDerWaalsContact O-CG 3.26Å; F271-R313 WeakPolarHBondContact O-CG 3.23Å; F271-V315 HydrophobicContact CD1-CG2 3.92Å; F271-V315 HydrophobicContact CE1-CG2 3.65Å; F271-N330 VanDerWaalsContact CZ-O 3.26Å; F271-N330 WeakPolarHBondContact CZ-O 3.31Å; F271-K332 HydrophobicContact CB-CD 4.49Å; F271-K332 HydrophobicContact CD1-CB 4.1Å; F271-K332 HydrophobicContact CD1-CD 4.38Å; F271-K332 HydrophobicContact CD2-CB 4.14Å; F271-K332 HydrophobicContact CE1-CB 3.69Å; F271-K332 HydrophobicContact CE2-CB 3.73Å; F271-K332 HydrophobicContact CG-CB 4.3Å; F271-K332 HydrophobicContact CG-CD 4.22Å; F271-K332 HydrophobicContact CZ-CB 3.47Å; F271-K332 VanDerWaalsContact CZ-CB 3.47Å |
| 272 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.7 | -32.8 | -175.1 | 165.4 | 0 | 0 | 0 | 0 | 112.5 | L264 Y268 Q269 D274 T280 L342 H345 R347 | L264-V272 HydrophobicContact CD1-CB 4.45Å; L264-V272 HydrophobicContact CD1-CG2 4.41Å; Y268-V272 VanDerWaalsContact O-CB 3.26Å; Y268-V272 WeakPolarHBondContact O-CB 3.31Å; Y268-V272 VanDerWaalsContact O-CG2 3.23Å; Y268-V272 WeakPolarHBondContact O-CG2 2.99Å; Y268-V272 PolarHBondContact O-N 3.48Å; Q269-V272 PolarHBondContact O-N 3.09Å; V272-D274 VanDerWaalsContact C-N 3.31Å; V272-D274 PolarHBondContact O-N 3.11Å; V272-T280 WeakPolarHBondContact CG1-OG1 3.46Å; V272-T280 HydrophobicContact CG2-CG2 4.07Å; V272-L342 HydrophobicContact CG2-CD2 3.88Å; V272-H345 HydrophobicContact CG1-CB 4.49Å; V272-H345 VanDerWaalsContact CG1-ND1 3.26Å; V272-H345 WeakPolarHBondContact CG1-ND1 3.31Å; V272-R347 HydrophobicContact CG1-CB 3.83Å; V272-R347 HydrophobicContact CG1-CG 4.34Å |
| 273 | E | 97.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -85.4 | 0.5 | -175 | -70.8 | -178.5 | 171.7 | 0 | 0 | 114.3 | Q269 P275 H345 R347 | Q269-E273 HydrophobicContact CG-CG 4.13Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.04Å; Q269-E273 WeakPolarHBondContact CG-OE2 3.39Å; Q269-E273 PolarHBondContact NE2-OE1 3.17Å; Q269-E273 PolarHBondContact NE2-OE2 2.96Å; Q269-E273 VanDerWaalsContact O-CB 3.3Å; Q269-E273 WeakPolarHBondContact O-CB 3.3Å; Q269-E273 WeakPolarHBondContact O-CG 3.49Å; Q269-E273 PolarHBondContact O-N 2.98Å; E273-P275 WeakPolarHBondContact O-CD 3.35Å; E273-P275 VanDerWaalsContact O-N 3.14Å; E273-H345 IonicContact OE1-NE2 3.68Å; E273-H345 PolarHBondContact OE1-NE2 2.98Å; E273-R347 PolarHBondContact O-NH2 3.38Å |
| 274 | D | 97 | Very high | 97.5 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | trans | -45.3 | 119.7 | -179.1 | -171.1 | -57.1 | 0 | 0 | 0 | 112.3 | V272 S276 S277 R313 R347 | V272-D274 VanDerWaalsContact C-N 3.31Å; V272-D274 PolarHBondContact O-N 3.11Å; D274-S276 PolarHBondContact O-N 3.15Å; D274-S276 WeakPolarHBondContact OD1-CA 3.36Å; D274-S276 VanDerWaalsContact OD1-CB 3.3Å; D274-S276 WeakPolarHBondContact OD1-CB 3.46Å; D274-S276 PolarHBondContact OD1-N 3.37Å; D274-S276 PolarHBondContact OD1-OG 2.81Å; D274-S277 WeakPolarHBondContact O-CB 3.22Å; D274-S277 PolarHBondContact O-N 3.45Å; D274-R313 HydrophobicContact CB-CG 4.41Å; D274-R313 IonicContact OD2-CZ 2.63Å; D274-R313 IonicContact OD2-NE 2.77Å; D274-R313 IonicContact OD2-NH2 3.76Å; D274-R313 PolarHBondContact OD2-NH2 2.84Å; D274-R347 PolarHBondContact O-NH2 2.79Å | ||
| 275 | P | 96.5 | Very high | 97.5 | Very high | 122 Ų | 122 | 52.6 Ų | 52.6 | 79% | 0.792 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.4 | -176.7 | -26.4 | 35 | 0 | 0 | 0 | 114.8 | E273 S277 | E273-P275 WeakPolarHBondContact O-CD 3.35Å; E273-P275 VanDerWaalsContact O-N 3.14Å; P275-S277 VanDerWaalsContact C-N 3.26Å; P275-S277 PolarHBondContact O-N 2.91Å |
| 276 | S | 96.2 | Very high | 97.1 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 66% | 0.657 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -15.4 | 179 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | D274 | D274-S276 PolarHBondContact O-N 3.15Å; D274-S276 WeakPolarHBondContact OD1-CA 3.36Å; D274-S276 VanDerWaalsContact OD1-CB 3.3Å; D274-S276 WeakPolarHBondContact OD1-CB 3.46Å; D274-S276 PolarHBondContact OD1-N 3.37Å; D274-S276 PolarHBondContact OD1-OG 2.81Å |
| 277 | S | 97.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | trans | -79.7 | 136 | -177.6 | -171.4 | 0 | 0 | 0 | 0 | 113 | D274 P275 G279 R313 R347 | D274-S277 WeakPolarHBondContact O-CB 3.22Å; D274-S277 PolarHBondContact O-N 3.45Å; P275-S277 VanDerWaalsContact C-N 3.26Å; P275-S277 PolarHBondContact O-N 2.91Å; S277-G279 PolarHBondContact O-N 3.45Å; S277-G279 PolarHBondContact OG-N 2.98Å; S277-G279 VanDerWaalsContact OG-N 3.09Å; S277-G279 PolarHBondContact OG-O 3.15Å; S277-R313 WeakPolarHBondContact OG-CG 3.42Å; S277-R313 PolarHBondContact OG-N 3.21Å; S277-R347 PolarHBondContact O-NH1 3.2Å; S277-R347 VanDerWaalsContact O-NH1 3.12Å | ||
| 278 | K | 97.8 | Very high | 95.6 | Very high | 140 Ų | 140 | 42.1 Ų | 42.1 | 61% | 0.609 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -73.7 | -9.2 | 168.3 | -65.2 | -168.9 | -175.9 | 179.8 | 0 | 113.1 | Q311 Y312 | K278-Q311 WeakPolarHBondContact CB-O 3.12Å; K278-Q311 HydrophobicContact CD-CB 4.17Å; K278-Q311 HydrophobicContact CD-CG 3.8Å; K278-Q311 HydrophobicContact CG-CB 4.24Å; K278-Q311 HydrophobicContact CG-CG 4.28Å; K278-Q311 PolarHBondContact N-O 2.87Å; K278-Y312 HydrophobicContact CB-CD1 3.98Å; K278-Y312 HydrophobicContact CB-CE1 3.56Å |
| 279 | G | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | trans | 144.8 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S277 Y312 R313 R347 | S277-G279 PolarHBondContact O-N 3.45Å; S277-G279 PolarHBondContact OG-N 2.98Å; S277-G279 VanDerWaalsContact OG-N 3.09Å; S277-G279 PolarHBondContact OG-O 3.15Å; G279-Y312 WeakPolarHBondContact O-CA 3.09Å; G279-Y312 WeakPolarHBondContact O-CD1 3.44Å; G279-R313 PolarHBondContact O-N 2.93Å; G279-R347 CarbonylContact C-O 3.58Å; G279-R347 VanDerWaalsContact CA-O 3.26Å; G279-R347 WeakPolarHBondContact CA-O 3.49Å | ||
| 280 | T | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.9 | -176.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | V272 V282 R313 V315 R347 T348 V349 | V272-T280 WeakPolarHBondContact CG1-OG1 3.46Å; V272-T280 HydrophobicContact CG2-CG2 4.07Å; T280-V282 HydrophobicContact CG2-CG2 4.08Å; T280-R313 CarbonylContact C-O 3.57Å; T280-R313 WeakPolarHBondContact CA-O 3.43Å; T280-V315 HydrophobicContact CG2-CG2 4.14Å; T280-R347 PolarHBondContact N-O 3.29Å; T280-T348 WeakPolarHBondContact O-CA 3.34Å; T280-V349 WeakPolarHBondContact O-CG2 3.49Å; T280-V349 PolarHBondContact O-N 3.16Å |
| 281 | I | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.9 | 168.3 | -56.8 | 176.2 | 0 | 0 | 0 | 107.2 | L309 Y312 R313 I314 V315 V349 L350 I352 I409 L413 | I281-L309 HydrophobicContact CD1-CD1 4.1Å; I281-Y312 HydrophobicContact CD1-CD2 4.38Å; I281-Y312 HydrophobicContact CD1-CG 4.06Å; I281-Y312 HydrophobicContact CG1-CD1 4.47Å; I281-Y312 HydrophobicContact CG1-CG 4.4Å; I281-R313 PolarHBondContact N-O 3.44Å; I281-I314 HydrophobicContact CB-CG1 4.27Å; I281-I314 HydrophobicContact CB-CG2 4.49Å; I281-I314 HydrophobicContact CD1-CG1 4.44Å; I281-I314 CarbonylContact O-C 3.49Å; I281-I314 WeakPolarHBondContact O-CA 3.39Å; I281-V315 PolarHBondContact O-N 2.96Å; I281-V349 HydrophobicContact CG1-CG2 4.47Å; I281-L350 WeakPolarHBondContact CA-O 3.45Å; I281-L350 HydrophobicContact CD1-CD2 4.48Å; I281-L350 HydrophobicContact CG1-CB 4.25Å; I281-L350 HydrophobicContact CG1-CD2 4.49Å; I281-L350 HydrophobicContact CG2-CB 4.26Å; I281-L350 HydrophobicContact CG2-CD2 4.02Å; I281-L350 HydrophobicContact CG2-CG 4.21Å; I281-I352 HydrophobicContact CG2-CD1 3.74Å; I281-I352 HydrophobicContact CG2-CG1 3.94Å; I281-I409 HydrophobicContact CD1-CG2 4.03Å; I281-L413 HydrophobicContact CD1-CD1 4.2Å |
| 282 | V | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.9 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | T280 V315 I337 L339 L342 T348 L350 F351 I352 | T280-V282 HydrophobicContact CG2-CG2 4.08Å; V282-V315 CarbonylContact C-O 3.48Å; V282-V315 WeakPolarHBondContact CA-O 3.35Å; V282-I337 HydrophobicContact CG1-CD1 3.71Å; V282-L339 HydrophobicContact CG1-CD1 3.69Å; V282-L342 HydrophobicContact CG1-CD1 4.4Å; V282-L342 HydrophobicContact CG2-CB 3.95Å; V282-T348 HydrophobicContact CG2-CG2 3.83Å; V282-L350 PolarHBondContact N-O 2.79Å; V282-F351 HydrophobicContact CB-CD2 4.12Å; V282-F351 HydrophobicContact CG1-CD2 4.1Å; V282-F351 HydrophobicContact CG1-CE2 4.24Å; V282-F351 CarbonylContact O-C 3.58Å; V282-F351 WeakPolarHBondContact O-CA 3.36Å; V282-F351 WeakPolarHBondContact O-CD2 3.23Å; V282-I352 PolarHBondContact O-N 2.94Å |
| 283 | F | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.3 | 175.5 | -170.1 | 159.9 | 0 | 0 | 0 | 109.3 | F285 W291 I302 F306 V315 W316 Q317 I352 F405 | F283-F285 HydrophobicContact CD2-CD1 4.13Å; F283-F285 HydrophobicContact CD2-CE1 4.09Å; F283-F285 AromaticContact CE2-CD1 3.5Å; F283-F285 HydrophobicContact CE2-CD1 3.5Å; F283-F285 VanDerWaalsContact CE2-CD1 3.5Å; F283-F285 AromaticContact CE2-CD2 3.94Å; F283-F285 HydrophobicContact CE2-CD2 3.94Å; F283-F285 AromaticContact CE2-CE1 3.22Å; F283-F285 HydrophobicContact CE2-CE1 3.22Å; F283-F285 AromaticContact CE2-CE2 3.67Å; F283-F285 HydrophobicContact CE2-CE2 3.67Å; F283-F285 AromaticContact CE2-CG 3.87Å; F283-F285 HydrophobicContact CE2-CG 3.87Å; F283-F285 AromaticContact CE2-CZ 3.3Å; F283-F285 HydrophobicContact CE2-CZ 3.3Å; F283-F285 HydrophobicContact CZ-CD1 4.49Å; F283-F285 AromaticContact CZ-CE1 3.86Å; F283-F285 HydrophobicContact CZ-CE1 3.86Å; F283-F285 AromaticContact CZ-CE2 3.86Å; F283-F285 HydrophobicContact CZ-CE2 3.86Å; F283-F285 AromaticContact CZ-CZ 3.49Å; F283-F285 HydrophobicContact CZ-CZ 3.49Å; F283-F285 VanDerWaalsContact CZ-CZ 3.49Å; F283-W291 HydrophobicContact CD2-CZ2 4.34Å; F283-W291 HydrophobicContact CE1-CH2 4.16Å; F283-W291 HydrophobicContact CE1-CZ2 4.46Å; F283-W291 AromaticContact CE2-CH2 3.85Å; F283-W291 HydrophobicContact CE2-CH2 3.85Å; F283-W291 AromaticContact CE2-CZ2 3.56Å; F283-W291 HydrophobicContact CE2-CZ2 3.56Å; F283-W291 AromaticContact CZ-CH2 3.47Å; F283-W291 HydrophobicContact CZ-CH2 3.47Å; F283-W291 VanDerWaalsContact CZ-CH2 3.47Å; F283-W291 AromaticContact CZ-CZ2 3.7Å; F283-W291 HydrophobicContact CZ-CZ2 3.7Å; F283-I302 HydrophobicContact CD1-CG2 4.24Å; F283-I302 HydrophobicContact CE1-CD1 3.94Å; F283-I302 HydrophobicContact CE1-CG1 4.37Å; F283-I302 HydrophobicContact CE1-CG2 3.69Å; F283-I302 HydrophobicContact CZ-CD1 4.03Å; F283-F306 HydrophobicContact CB-CZ 4.4Å; F283-F306 AromaticContact CD1-CE2 3.82Å; F283-F306 HydrophobicContact CD1-CE2 3.82Å; F283-F306 AromaticContact CD1-CZ 3.6Å; F283-F306 HydrophobicContact CD1-CZ 3.6Å; F283-F306 HydrophobicContact CE1-CZ 4.38Å; F283-F306 HydrophobicContact CG-CZ 4.49Å; F283-V315 PolarHBondContact N-O 2.79Å; F283-W316 HydrophobicContact CB-CB 4.32Å; F283-W316 HydrophobicContact CB-CG 4.17Å; F283-W316 AromaticContact CD1-CD1 3.78Å; F283-W316 HydrophobicContact CD1-CD2 4.38Å; F283-W316 HydrophobicContact CD1-CG 4.19Å; F283-W316 AromaticContact CD1-NE1 3.76Å; F283-W316 AromaticContact CD2-CD1 3.99Å; F283-W316 AromaticContact CE1-NE1 3.99Å; F283-W316 AromaticContact CG-CD1 3.58Å; F283-W316 HydrophobicContact CG-CG 4.25Å; F283-W316 AromaticContact CG-NE1 3.88Å; F283-Q317 WeakPolarHBondContact O-CB 3.45Å; F283-Q317 PolarHBondContact O-N 3.37Å; F283-I352 WeakPolarHBondContact CA-O 3.41Å; F283-I352 HydrophobicContact CB-CB 4.1Å; F283-I352 HydrophobicContact CD1-CB 4.3Å; F283-I352 HydrophobicContact CD1-CD1 4.28Å; F283-I352 HydrophobicContact CD1-CG2 4.04Å; F283-I352 HydrophobicContact CD2-CB 4.19Å; F283-I352 HydrophobicContact CD2-CG2 3.98Å; F283-I352 HydrophobicContact CE1-CG2 4.02Å; F283-I352 HydrophobicContact CE2-CG2 4.04Å; F283-I352 HydrophobicContact CG-CB 3.93Å; F283-I352 HydrophobicContact CG-CG2 3.96Å; F283-I352 HydrophobicContact CZ-CG2 4Å; F283-F405 HydrophobicContact CD1-CZ 4.12Å; F283-F405 HydrophobicContact CE1-CE2 4.14Å; F283-F405 AromaticContact CE1-CZ 3.66Å; F283-F405 HydrophobicContact CE1-CZ 3.66Å |
| 284 | S | 97.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 132.5 | 170.3 | 169.2 | 0 | 0 | 0 | 0 | 113.9 | G286 Q317 I352 T353 | S284-G286 PolarHBondContact OG-N 3.38Å; S284-Q317 PolarHBondContact OG-OE1 3.49Å; S284-I352 PolarHBondContact N-O 3.28Å; S284-T353 WeakPolarHBondContact O-CA 3.4Å; S284-T353 PolarHBondContact O-OG1 3.4Å |
| 285 | F | 95 | Very high | 93.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | -105.4 | 14.7 | 172.9 | -72.3 | -8.8 | 0 | 0 | 0 | 114.1 | W95 F283 A289 W291 H354 I373 L375 | W95-F285 AromaticContact CH2-CD2 3.63Å; W95-F285 HydrophobicContact CH2-CD2 3.63Å; W95-F285 AromaticContact CH2-CE2 3.81Å; W95-F285 HydrophobicContact CH2-CE2 3.81Å; W95-F285 HydrophobicContact CZ2-CD2 4.5Å; W95-F285 HydrophobicContact CZ3-CD2 4.21Å; W95-F285 AromaticContact CZ3-CE2 3.94Å; W95-F285 HydrophobicContact CZ3-CE2 3.94Å; F283-F285 HydrophobicContact CD2-CD1 4.13Å; F283-F285 HydrophobicContact CD2-CE1 4.09Å; F283-F285 AromaticContact CE2-CD1 3.5Å; F283-F285 HydrophobicContact CE2-CD1 3.5Å; F283-F285 VanDerWaalsContact CE2-CD1 3.5Å; F283-F285 AromaticContact CE2-CD2 3.94Å; F283-F285 HydrophobicContact CE2-CD2 3.94Å; F283-F285 AromaticContact CE2-CE1 3.22Å; F283-F285 HydrophobicContact CE2-CE1 3.22Å; F283-F285 AromaticContact CE2-CE2 3.67Å; F283-F285 HydrophobicContact CE2-CE2 3.67Å; F283-F285 AromaticContact CE2-CG 3.87Å; F283-F285 HydrophobicContact CE2-CG 3.87Å; F283-F285 AromaticContact CE2-CZ 3.3Å; F283-F285 HydrophobicContact CE2-CZ 3.3Å; F283-F285 HydrophobicContact CZ-CD1 4.49Å; F283-F285 AromaticContact CZ-CE1 3.86Å; F283-F285 HydrophobicContact CZ-CE1 3.86Å; F283-F285 AromaticContact CZ-CE2 3.86Å; F283-F285 HydrophobicContact CZ-CE2 3.86Å; F283-F285 AromaticContact CZ-CZ 3.49Å; F283-F285 HydrophobicContact CZ-CZ 3.49Å; F283-F285 VanDerWaalsContact CZ-CZ 3.49Å; F285-A289 HydrophobicContact CB-CB 3.41Å; F285-A289 VanDerWaalsContact CB-CB 3.41Å; F285-A289 HydrophobicContact CG-CB 4.48Å; F285-A289 WeakPolarHBondContact O-CB 3.43Å; F285-W291 HydrophobicContact CD2-CH2 4.08Å; F285-W291 AromaticContact CD2-CZ2 3.71Å; F285-W291 HydrophobicContact CD2-CZ2 3.71Å; F285-W291 AromaticContact CE2-CH2 3.85Å; F285-W291 HydrophobicContact CE2-CH2 3.85Å; F285-W291 AromaticContact CE2-CZ2 3.94Å; F285-W291 HydrophobicContact CE2-CZ2 3.94Å; F285-W291 HydrophobicContact CG-CZ2 4.38Å; F285-H354 HydrophobicContact CB-CB 4.22Å; F285-H354 HydrophobicContact CD1-CB 3.73Å; F285-H354 HydrophobicContact CE1-CB 4.27Å; F285-H354 HydrophobicContact CG-CB 4.05Å; F285-H354 PolarHBondContact O-CD2 3.03Å; F285-H354 PolarHBondContact O-CE1 3.34Å; F285-H354 PolarHBondContact O-ND1 3.31Å; F285-H354 PolarHBondContact O-NE2 3.01Å; F285-I373 HydrophobicContact CE1-CB 4.12Å; F285-I373 HydrophobicContact CZ-CB 3.81Å; F285-I373 HydrophobicContact CZ-CD1 4.35Å; F285-I373 HydrophobicContact CZ-CG2 4.13Å; F285-L375 HydrophobicContact CB-CD1 4.33Å; F285-L375 HydrophobicContact CD2-CD1 4.06Å; F285-L375 HydrophobicContact CD2-CD2 4.13Å; F285-L375 HydrophobicContact CD2-CG 4.35Å; F285-L375 HydrophobicContact CE2-CD2 4.03Å; F285-L375 HydrophobicContact CG-CD1 4.43Å | ||
| 286 | G | 88.6 | Confident | 93.2 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | trans | 76.3 | -156 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S284 Q317 | S284-G286 PolarHBondContact OG-N 3.38Å; G286-Q317 PolarHBondContact O-NE2 2.94Å | ||
| 287 | H | 82.1 | Confident | 93.1 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 39% | 0.389 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -86.5 | -26.6 | -168.8 | -62.3 | 54.3 | 0 | 0 | 0 | 114.2 | W336 | H287-W336 HydrophobicContact CB-CH2 3.95Å; H287-W336 AromaticContact CD2-CH2 3.55Å; H287-W336 AromaticContact CE1-CH2 3.89Å; H287-W336 AromaticContact CE1-CZ3 3.94Å; H287-W336 AromaticContact CG-CH2 3.47Å; H287-W336 VanDerWaalsContact CG-CH2 3.47Å; H287-W336 AromaticContact ND1-CH2 3.7Å; H287-W336 AromaticContact ND1-CZ3 4Å; H287-W336 AromaticContact NE2-CH2 3.88Å |
| 288 | L | 80 | Confident | 93 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -95.8 | -6.3 | -172.5 | -65.7 | -179.9 | 0 | 0 | 0 | 113.2 | I86 Q91 F376 | I86-L288 HydrophobicContact CD1-CB 3.83Å; I86-L288 HydrophobicContact CD1-CD1 4.26Å; I86-L288 HydrophobicContact CD1-CD2 4.11Å; I86-L288 HydrophobicContact CD1-CG 4.28Å; Q91-L288 PolarHBondContact NE2-O 3.06Å; Q91-L288 PolarHBondContact OE1-O 2.99Å; L288-F376 HydrophobicContact CB-CZ 4.3Å; L288-F376 HydrophobicContact CD1-CZ 4.05Å |
| 289 | A | 85 | Confident | 93 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | trans | -88.9 | 107.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | W95 F285 L375 | W95-A289 HydrophobicContact CZ2-CB 4.37Å; F285-A289 HydrophobicContact CB-CB 3.41Å; F285-A289 VanDerWaalsContact CB-CB 3.41Å; F285-A289 HydrophobicContact CG-CB 4.48Å; F285-A289 WeakPolarHBondContact O-CB 3.43Å; A289-L375 HydrophobicContact CB-CD1 3.5Å; A289-L375 VanDerWaalsContact CB-CD1 3.5Å | ||
| 290 | D | 89 | Confident | 93 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | trans | -98.9 | 111.4 | 172.3 | -178 | 10.4 | 0 | 0 | 0 | 110.2 | Q91 W95 Q292 G293 N319 | Q91-D290 HydrophobicContact CG-CB 4.29Å; W95-D290 PolarHBondContact NE1-O 3.21Å; D290-Q292 PolarHBondContact O-N 2.97Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.36Å; D290-Q292 WeakPolarHBondContact OD1-CG 3.22Å; D290-Q292 PolarHBondContact OD1-N 3.34Å; D290-G293 PolarHBondContact O-N 3.27Å; D290-G293 VanDerWaalsContact O-N 3.13Å; D290-N319 PolarHBondContact OD1-ND2 2.82Å | ||
| 291 | W | 93.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -65.9 | -16.2 | -179.5 | -73 | 96.9 | 0 | 0 | 0 | 113.5 | W95 F283 F285 G293 A294 I299 I302 W316 Q317 F318 N319 | W95-W291 AromaticContact CH2-CD2 3.89Å; W95-W291 HydrophobicContact CH2-CD2 3.89Å; W95-W291 AromaticContact CH2-CE3 3.64Å; W95-W291 HydrophobicContact CH2-CE3 3.64Å; W95-W291 AromaticContact CH2-CH2 3.94Å; W95-W291 HydrophobicContact CH2-CH2 3.94Å; W95-W291 HydrophobicContact CH2-CZ2 4.17Å; W95-W291 AromaticContact CH2-CZ3 3.67Å; W95-W291 HydrophobicContact CH2-CZ3 3.67Å; W95-W291 HydrophobicContact CZ2-CD2 4.14Å; W95-W291 HydrophobicContact CZ2-CE3 4.14Å; W95-W291 HydrophobicContact CZ2-CG 4.47Å; W95-W291 HydrophobicContact CZ3-CE3 4.34Å; W95-W291 HydrophobicContact CZ3-CH2 4.44Å; W95-W291 HydrophobicContact CZ3-CZ3 4.07Å; F283-W291 HydrophobicContact CD2-CZ2 4.34Å; F283-W291 HydrophobicContact CE1-CH2 4.16Å; F283-W291 HydrophobicContact CE1-CZ2 4.46Å; F283-W291 AromaticContact CE2-CH2 3.85Å; F283-W291 HydrophobicContact CE2-CH2 3.85Å; F283-W291 AromaticContact CE2-CZ2 3.56Å; F283-W291 HydrophobicContact CE2-CZ2 3.56Å; F283-W291 AromaticContact CZ-CH2 3.47Å; F283-W291 HydrophobicContact CZ-CH2 3.47Å; F283-W291 VanDerWaalsContact CZ-CH2 3.47Å; F283-W291 AromaticContact CZ-CZ2 3.7Å; F283-W291 HydrophobicContact CZ-CZ2 3.7Å; F285-W291 HydrophobicContact CD2-CH2 4.08Å; F285-W291 AromaticContact CD2-CZ2 3.71Å; F285-W291 HydrophobicContact CD2-CZ2 3.71Å; F285-W291 AromaticContact CE2-CH2 3.85Å; F285-W291 HydrophobicContact CE2-CH2 3.85Å; F285-W291 AromaticContact CE2-CZ2 3.94Å; F285-W291 HydrophobicContact CE2-CZ2 3.94Å; F285-W291 HydrophobicContact CG-CZ2 4.38Å; W291-G293 PolarHBondContact O-N 3Å; W291-A294 HydrophobicContact CE3-CB 4.04Å; W291-A294 WeakPolarHBondContact O-CB 3.27Å; W291-A294 PolarHBondContact O-N 3.5Å; W291-A294 VanDerWaalsContact O-N 3.16Å; W291-I299 HydrophobicContact CE3-CG1 4.16Å; W291-I299 HydrophobicContact CZ3-CG1 4.45Å; W291-I302 HydrophobicContact CH2-CD1 3.84Å; W291-I302 HydrophobicContact CZ3-CD1 3.95Å; W291-W316 AromaticContact CE2-NE1 3.67Å; W291-W316 HydrophobicContact CE3-CZ2 4.29Å; W291-W316 AromaticContact CH2-CZ2 3.74Å; W291-W316 HydrophobicContact CH2-CZ2 3.74Å; W291-W316 AromaticContact CH2-NE1 3.75Å; W291-W316 AromaticContact CZ2-CE2 3.96Å; W291-W316 HydrophobicContact CZ2-CZ2 4.06Å; W291-W316 AromaticContact CZ2-NE1 3.23Å; W291-W316 AromaticContact CZ3-CZ2 3.86Å; W291-W316 HydrophobicContact CZ3-CZ2 3.86Å; W291-Q317 PolarHBondContact NE1-O 2.8Å; W291-F318 HydrophobicContact CB-CD2 3.72Å; W291-F318 HydrophobicContact CB-CE2 3.62Å; W291-F318 HydrophobicContact CB-CZ 4.41Å; W291-F318 AromaticContact CD1-CD2 3.86Å; W291-F318 AromaticContact CD2-CD2 3.46Å; W291-F318 HydrophobicContact CD2-CD2 3.46Å; W291-F318 VanDerWaalsContact CD2-CD2 3.46Å; W291-F318 AromaticContact CD2-CE2 3.8Å; W291-F318 HydrophobicContact CD2-CE2 3.8Å; W291-F318 AromaticContact CE2-CD2 3.94Å; W291-F318 AromaticContact CE3-CD2 3.87Å; W291-F318 HydrophobicContact CE3-CD2 3.87Å; W291-F318 AromaticContact CE3-CE2 3.8Å; W291-F318 HydrophobicContact CE3-CE2 3.8Å; W291-F318 AromaticContact CG-CD2 3.4Å; W291-F318 HydrophobicContact CG-CD2 3.4Å; W291-F318 AromaticContact CG-CE2 3.75Å; W291-F318 HydrophobicContact CG-CE2 3.75Å; W291-F318 HydrophobicContact CG-CG 4.3Å; W291-N319 WeakPolarHBondContact CB-OD1 3.49Å; W291-N319 VanDerWaalsContact CD1-OD1 3.27Å; W291-N319 PolarHBondContact N-OD1 3.17Å |
| 292 | Q | 90 | Very high | 92.9 | Very high | 142 Ų | 142 | 34.8 Ų | 34.8 | 66% | 0.664 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -65.6 | -26.5 | 173.2 | -60.7 | -178.9 | 20.9 | 0 | 0 | 112.6 | D290 | D290-Q292 PolarHBondContact O-N 2.97Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.36Å; D290-Q292 WeakPolarHBondContact OD1-CG 3.22Å; D290-Q292 PolarHBondContact OD1-N 3.34Å |
| 293 | G | 88.7 | Confident | 92.8 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -85.1 | -6.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | D290 W291 | D290-G293 PolarHBondContact O-N 3.27Å; D290-G293 VanDerWaalsContact O-N 3.13Å; W291-G293 PolarHBondContact O-N 3Å |
| 294 | A | 93.2 | Very high | 92.8 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -77.6 | 141.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W95 W291 V296 I299 | W95-A294 HydrophobicContact CD2-CB 3.62Å; W95-A294 HydrophobicContact CE3-CB 3.79Å; W95-A294 HydrophobicContact CG-CB 4.08Å; W95-A294 HydrophobicContact CH2-CB 4.1Å; W95-A294 HydrophobicContact CZ2-CB 3.98Å; W95-A294 HydrophobicContact CZ3-CB 4.01Å; W291-A294 HydrophobicContact CE3-CB 4.04Å; W291-A294 WeakPolarHBondContact O-CB 3.27Å; W291-A294 PolarHBondContact O-N 3.5Å; W291-A294 VanDerWaalsContact O-N 3.16Å; A294-V296 PolarHBondContact O-N 3.32Å; A294-I299 HydrophobicContact CB-CD1 4.17Å; A294-I299 HydrophobicContact CB-CG1 4.18Å |
| 295 | P | 94.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | trans | -55.8 | 136.1 | 170.8 | -24.6 | 32.4 | 0 | 0 | 0 | 111.9 | R96 E297 I298 I299 | R96-P295 HydrophobicContact CG-CG 3.99Å; P295-E297 VanDerWaalsContact CB-OE2 3.24Å; P295-E297 WeakPolarHBondContact CB-OE2 3.46Å; P295-E297 PolarHBondContact O-N 3.49Å; P295-I298 HydrophobicContact CB-CB 4.46Å; P295-I298 HydrophobicContact CB-CD1 4.35Å; P295-I298 HydrophobicContact CB-CG1 4.23Å; P295-I298 HydrophobicContact CG-CD1 4.01Å; P295-I298 HydrophobicContact CG-CG1 4.44Å; P295-I298 WeakPolarHBondContact O-CB 3.5Å; P295-I298 PolarHBondContact O-N 2.93Å; P295-I299 PolarHBondContact O-N 2.68Å | ||
| 296 | V | 94.9 | Very high | 93 | Very high | 58 Ų | 58 | 36.2 Ų | 36.2 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.2 | -36.1 | -179.5 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | A294 I298 I299 Q300 M324 | A294-V296 PolarHBondContact O-N 3.32Å; V296-I298 VanDerWaalsContact C-N 3.27Å; V296-I298 PolarHBondContact O-N 3.3Å; V296-I299 PolarHBondContact O-N 3.34Å; V296-Q300 HydrophobicContact CG1-CG 4.14Å; V296-Q300 WeakPolarHBondContact O-CB 3.46Å; V296-Q300 WeakPolarHBondContact O-CG 3.38Å; V296-Q300 PolarHBondContact O-N 2.9Å; V296-M324 HydrophobicContact CG2-CE 4.33Å; V296-M324 HydrophobicContact CG2-SD 4.29Å |
| 297 | E | 95.3 | Very high | 93.4 | Very high | 130 Ų | 130 | 40 Ų | 40 | 61% | 0.607 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.1 | -35.4 | 179.2 | -53.3 | 78.2 | -170.8 | 0 | 0 | 111.6 | P295 A301 | P295-E297 VanDerWaalsContact CB-OE2 3.24Å; P295-E297 WeakPolarHBondContact CB-OE2 3.46Å; P295-E297 PolarHBondContact O-N 3.49Å; E297-A301 WeakPolarHBondContact O-CB 3.23Å; E297-A301 PolarHBondContact O-N 3.24Å |
| 298 | I | 96.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.3 | -43.7 | 176.5 | -70.9 | -177.2 | 0 | 0 | 0 | 110.5 | P295 V296 A301 I302 K397 L400 | P295-I298 HydrophobicContact CB-CB 4.46Å; P295-I298 HydrophobicContact CB-CD1 4.35Å; P295-I298 HydrophobicContact CB-CG1 4.23Å; P295-I298 HydrophobicContact CG-CD1 4.01Å; P295-I298 HydrophobicContact CG-CG1 4.44Å; P295-I298 WeakPolarHBondContact O-CB 3.5Å; P295-I298 PolarHBondContact O-N 2.93Å; V296-I298 VanDerWaalsContact C-N 3.27Å; V296-I298 PolarHBondContact O-N 3.3Å; I298-A301 PolarHBondContact O-N 2.81Å; I298-I302 HydrophobicContact CG2-CD1 3.84Å; I298-I302 WeakPolarHBondContact O-CD1 3.28Å; I298-I302 VanDerWaalsContact O-CG1 3.29Å; I298-I302 WeakPolarHBondContact O-CG1 3.2Å; I298-I302 PolarHBondContact O-N 3.41Å; I298-K397 VanDerWaalsContact CD1-O 3.26Å; I298-K397 WeakPolarHBondContact CD1-O 3.22Å; I298-L400 HydrophobicContact CG2-CD2 4.04Å |
| 299 | I | 97.1 | Very high | 95 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 178.4 | -62.6 | 172.6 | 0 | 0 | 0 | 110 | W291 A294 P295 V296 I302 S303 W316 F318 M324 V325 | W291-I299 HydrophobicContact CE3-CG1 4.16Å; W291-I299 HydrophobicContact CZ3-CG1 4.45Å; A294-I299 HydrophobicContact CB-CD1 4.17Å; A294-I299 HydrophobicContact CB-CG1 4.18Å; P295-I299 PolarHBondContact O-N 2.68Å; V296-I299 PolarHBondContact O-N 3.34Å; I299-I302 PolarHBondContact O-N 3.01Å; I299-S303 WeakPolarHBondContact O-CB 3.38Å; I299-S303 PolarHBondContact O-N 3.25Å; I299-W316 HydrophobicContact CG2-CH2 4.29Å; I299-F318 HydrophobicContact CD1-CE2 4.11Å; I299-F318 HydrophobicContact CD1-CZ 4.24Å; I299-F318 HydrophobicContact CG1-CE2 4.24Å; I299-F318 HydrophobicContact CG2-CE2 4Å; I299-F318 HydrophobicContact CG2-CZ 4Å; I299-M324 HydrophobicContact CD1-SD 4.47Å; I299-M324 HydrophobicContact CG2-CB 4.15Å; I299-V325 HydrophobicContact CG2-CG1 3.49Å; I299-V325 VanDerWaalsContact CG2-CG1 3.49Å |
| 300 | Q | 97.1 | Very high | 95.6 | Very high | 104 Ų | 104 | 40.5 Ų | 40.5 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 178.4 | -72.8 | 177.4 | -22 | 0 | 0 | 112 | V296 I302 S303 A304 | V296-Q300 HydrophobicContact CG1-CG 4.14Å; V296-Q300 WeakPolarHBondContact O-CB 3.46Å; V296-Q300 WeakPolarHBondContact O-CG 3.38Å; V296-Q300 PolarHBondContact O-N 2.9Å; Q300-I302 VanDerWaalsContact C-N 3.34Å; Q300-I302 PolarHBondContact O-N 2.97Å; Q300-S303 PolarHBondContact O-N 3.49Å; Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.43Å |
| 301 | A | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E297 I298 A305 E402 | E297-A301 WeakPolarHBondContact O-CB 3.23Å; E297-A301 PolarHBondContact O-N 3.24Å; I298-A301 PolarHBondContact O-N 2.81Å; A301-A305 WeakPolarHBondContact O-CB 3.17Å; A301-A305 PolarHBondContact O-N 3.14Å; A301-A305 VanDerWaalsContact O-N 3.15Å; A301-E402 HydrophobicContact CB-CB 4.43Å; A301-E402 WeakPolarHBondContact O-CA 3.46Å |
| 302 | I | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 175.7 | -71.6 | 165.1 | 0 | 0 | 0 | 110.4 | F283 W291 I298 I299 Q300 A305 F306 W316 L400 F405 | F283-I302 HydrophobicContact CD1-CG2 4.24Å; F283-I302 HydrophobicContact CE1-CD1 3.94Å; F283-I302 HydrophobicContact CE1-CG1 4.37Å; F283-I302 HydrophobicContact CE1-CG2 3.69Å; F283-I302 HydrophobicContact CZ-CD1 4.03Å; W291-I302 HydrophobicContact CH2-CD1 3.84Å; W291-I302 HydrophobicContact CZ3-CD1 3.95Å; I298-I302 HydrophobicContact CG2-CD1 3.84Å; I298-I302 WeakPolarHBondContact O-CD1 3.28Å; I298-I302 VanDerWaalsContact O-CG1 3.29Å; I298-I302 WeakPolarHBondContact O-CG1 3.2Å; I298-I302 PolarHBondContact O-N 3.41Å; I299-I302 PolarHBondContact O-N 3.01Å; Q300-I302 VanDerWaalsContact C-N 3.34Å; Q300-I302 PolarHBondContact O-N 2.97Å; I302-A305 PolarHBondContact O-N 3.42Å; I302-F306 HydrophobicContact CG2-CD2 4.01Å; I302-F306 HydrophobicContact CG2-CE2 3.77Å; I302-F306 HydrophobicContact CG2-CZ 4.33Å; I302-F306 WeakPolarHBondContact O-CG 3.5Å; I302-F306 PolarHBondContact O-N 3.4Å; I302-F306 VanDerWaalsContact O-N 3.09Å; I302-W316 HydrophobicContact CB-CH2 4.13Å; I302-W316 HydrophobicContact CB-CZ2 4.48Å; I302-W316 HydrophobicContact CG2-CE3 4.42Å; I302-W316 HydrophobicContact CG2-CH2 3.51Å; I302-W316 HydrophobicContact CG2-CZ2 3.74Å; I302-W316 HydrophobicContact CG2-CZ3 3.88Å; I302-L400 HydrophobicContact CD1-CD2 3.95Å; I302-L400 HydrophobicContact CG1-CD2 3.81Å; I302-F405 HydrophobicContact CB-CD1 4.48Å; I302-F405 HydrophobicContact CB-CE1 4.17Å; I302-F405 HydrophobicContact CG1-CD1 4.24Å; I302-F405 HydrophobicContact CG1-CD2 4.45Å; I302-F405 HydrophobicContact CG1-CE1 4.09Å; I302-F405 HydrophobicContact CG1-CE2 4.31Å; I302-F405 HydrophobicContact CG1-CG 4.4Å; I302-F405 HydrophobicContact CG1-CZ 4.12Å; I302-F405 HydrophobicContact CG2-CE1 3.81Å; I302-F405 HydrophobicContact CG2-CZ 4.02Å |
| 303 | S | 98.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -50.2 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | I299 Q300 A305 F306 E307 V325 S326 | I299-S303 WeakPolarHBondContact O-CB 3.38Å; I299-S303 PolarHBondContact O-N 3.25Å; Q300-S303 PolarHBondContact O-N 3.49Å; S303-A305 VanDerWaalsContact C-N 3.35Å; S303-A305 PolarHBondContact O-N 2.65Å; S303-F306 WeakPolarHBondContact O-CB 3.39Å; S303-F306 PolarHBondContact O-N 2.87Å; S303-F306 VanDerWaalsContact O-N 3.13Å; S303-E307 PolarHBondContact O-N 3.02Å; S303-E307 VanDerWaalsContact O-N 3.12Å; S303-V325 WeakPolarHBondContact OG-CA 3.15Å; S303-S326 WeakPolarHBondContact OG-CB 3.48Å; S303-S326 PolarHBondContact OG-N 3.23Å |
| 304 | A | 97.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 21% | 0.207 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q300 F306 E307 Q308 E402 | Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.43Å; A304-F306 VanDerWaalsContact C-N 3.29Å; A304-F306 PolarHBondContact O-N 3.33Å; A304-E307 WeakPolarHBondContact O-CB 3.28Å; A304-E307 PolarHBondContact O-N 2.89Å; A304-E307 VanDerWaalsContact O-N 3.15Å; A304-Q308 PolarHBondContact O-N 3.46Å; A304-E402 VanDerWaalsContact CB-CD 3.4Å; A304-E402 HydrophobicContact CB-CG 3.88Å |
| 305 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -32.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A301 I302 S303 Q308 E402 F405 | A301-A305 WeakPolarHBondContact O-CB 3.17Å; A301-A305 PolarHBondContact O-N 3.14Å; A301-A305 VanDerWaalsContact O-N 3.15Å; I302-A305 PolarHBondContact O-N 3.42Å; S303-A305 VanDerWaalsContact C-N 3.35Å; S303-A305 PolarHBondContact O-N 2.65Å; A305-Q308 PolarHBondContact O-N 2.88Å; A305-E402 HydrophobicContact CB-CG 4.1Å; A305-F405 HydrophobicContact CB-CD1 3.65Å; A305-F405 HydrophobicContact CB-CE1 4.42Å |
| 306 | F | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72 | -30.6 | 174 | -75.2 | -19.7 | 0 | 0 | 0 | 113.4 | F283 I302 S303 A304 Q308 L309 I314 W316 L331 I352 F405 I409 | F283-F306 HydrophobicContact CB-CZ 4.4Å; F283-F306 AromaticContact CD1-CE2 3.82Å; F283-F306 HydrophobicContact CD1-CE2 3.82Å; F283-F306 AromaticContact CD1-CZ 3.6Å; F283-F306 HydrophobicContact CD1-CZ 3.6Å; F283-F306 HydrophobicContact CE1-CZ 4.38Å; F283-F306 HydrophobicContact CG-CZ 4.49Å; I302-F306 HydrophobicContact CG2-CD2 4.01Å; I302-F306 HydrophobicContact CG2-CE2 3.77Å; I302-F306 HydrophobicContact CG2-CZ 4.33Å; I302-F306 WeakPolarHBondContact O-CG 3.5Å; I302-F306 PolarHBondContact O-N 3.4Å; I302-F306 VanDerWaalsContact O-N 3.09Å; S303-F306 WeakPolarHBondContact O-CB 3.39Å; S303-F306 PolarHBondContact O-N 2.87Å; S303-F306 VanDerWaalsContact O-N 3.13Å; A304-F306 VanDerWaalsContact C-N 3.29Å; A304-F306 PolarHBondContact O-N 3.33Å; F306-Q308 PolarHBondContact O-N 3.39Å; F306-L309 HydrophobicContact CD1-CD1 4.42Å; F306-L309 PolarHBondContact O-N 2.97Å; F306-L309 VanDerWaalsContact O-N 3.08Å; F306-I314 HydrophobicContact CB-CD1 3.76Å; F306-I314 HydrophobicContact CD1-CD1 3.56Å; F306-I314 HydrophobicContact CD1-CG2 4.26Å; F306-I314 HydrophobicContact CD2-CD1 4.43Å; F306-I314 HydrophobicContact CD2-CG2 3.95Å; F306-I314 HydrophobicContact CE1-CD1 4.11Å; F306-I314 HydrophobicContact CE1-CG2 3.96Å; F306-I314 HydrophobicContact CE2-CG2 3.65Å; F306-I314 HydrophobicContact CG-CD1 3.7Å; F306-I314 HydrophobicContact CG-CG2 4.22Å; F306-I314 HydrophobicContact CZ-CG2 3.61Å; F306-W316 HydrophobicContact CD2-CE3 4.09Å; F306-W316 HydrophobicContact CD2-CZ3 4.4Å; F306-W316 HydrophobicContact CE2-CD2 4.13Å; F306-W316 AromaticContact CE2-CE3 3.95Å; F306-W316 HydrophobicContact CE2-CE3 3.95Å; F306-W316 HydrophobicContact CE2-CG 4.41Å; F306-L331 HydrophobicContact CD2-CD1 3.84Å; F306-L331 HydrophobicContact CE2-CD1 4.29Å; F306-I352 HydrophobicContact CE1-CD1 3.85Å; F306-I352 HydrophobicContact CZ-CD1 3.88Å; F306-F405 AromaticContact CD1-CE1 3.98Å; F306-F405 HydrophobicContact CD1-CE1 3.98Å; F306-F405 AromaticContact CE1-CE1 3.59Å; F306-F405 HydrophobicContact CE1-CE1 3.59Å; F306-F405 AromaticContact CE1-CZ 3.96Å; F306-F405 HydrophobicContact CE1-CZ 3.96Å; F306-F405 AromaticContact CZ-CE1 3.96Å; F306-F405 HydrophobicContact CZ-CE1 3.96Å; F306-F405 AromaticContact CZ-CZ 4Å; F306-F405 HydrophobicContact CZ-CZ 4Å; F306-I409 HydrophobicContact CD1-CD1 4.04Å; F306-I409 HydrophobicContact CE1-CD1 3.7Å |
| 307 | E | 97.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 33.6 Ų | 33.6 | 43% | 0.425 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.3 | -26.7 | 172.6 | -64.6 | -173.1 | 168.9 | 0 | 0 | 112.6 | S303 A304 L309 S326 K328 | S303-E307 PolarHBondContact O-N 3.02Å; S303-E307 VanDerWaalsContact O-N 3.12Å; A304-E307 WeakPolarHBondContact O-CB 3.28Å; A304-E307 PolarHBondContact O-N 2.89Å; A304-E307 VanDerWaalsContact O-N 3.15Å; E307-L309 PolarHBondContact O-N 3.47Å; E307-S326 WeakPolarHBondContact CG-OG 3.45Å; E307-S326 WeakPolarHBondContact OE1-CB 3.33Å; E307-S326 PolarHBondContact OE1-OG 3.32Å; E307-K328 HydrophobicContact CG-CG 4.25Å |
| 308 | Q | 97.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 27.6 Ų | 27.6 | 37% | 0.374 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 3.2 | 175.4 | -59.4 | -173.1 | 50.6 | 0 | 0 | 114.1 | A304 A305 F306 P310 E402 Y406 | A304-Q308 PolarHBondContact O-N 3.46Å; A305-Q308 PolarHBondContact O-N 2.88Å; F306-Q308 PolarHBondContact O-N 3.39Å; Q308-P310 WeakPolarHBondContact O-CD 3.42Å; Q308-E402 PolarHBondContact NE2-OE1 2.58Å; Q308-Y406 HydrophobicContact CB-CD2 3.85Å; Q308-Y406 HydrophobicContact CB-CE2 3.5Å; Q308-Y406 VanDerWaalsContact CB-CE2 3.5Å |
| 309 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -122.6 | 47.3 | -178.7 | -64 | 169.9 | 0 | 0 | 0 | 112.9 | I281 F306 E307 Q311 Y312 I314 N330 Y406 I409 L410 | I281-L309 HydrophobicContact CD1-CD1 4.1Å; F306-L309 HydrophobicContact CD1-CD1 4.42Å; F306-L309 PolarHBondContact O-N 2.97Å; F306-L309 VanDerWaalsContact O-N 3.08Å; E307-L309 PolarHBondContact O-N 3.47Å; L309-Q311 VanDerWaalsContact C-OE1 3.27Å; L309-Q311 PolarHBondContact O-N 2.84Å; L309-Y312 HydrophobicContact CB-CD2 4.26Å; L309-Y312 HydrophobicContact CD2-CD2 4.11Å; L309-Y312 HydrophobicContact CD2-CE2 4.34Å; L309-Y312 PolarHBondContact O-N 3.25Å; L309-I314 HydrophobicContact CB-CD1 4.24Å; L309-N330 PolarHBondContact O-ND2 2.9Å; L309-Y406 HydrophobicContact CD2-CD2 4.33Å; L309-Y406 HydrophobicContact CD2-CE2 3.69Å; L309-Y406 HydrophobicContact CG-CD2 4.24Å; L309-Y406 HydrophobicContact CG-CE2 3.93Å; L309-I409 HydrophobicContact CD1-CB 4.47Å; L309-I409 HydrophobicContact CD1-CD1 3.85Å; L309-I409 HydrophobicContact CD1-CG2 3.76Å; L309-L410 HydrophobicContact CD2-CD2 4.05Å | ||
| 310 | P | 97.1 | Very high | 97.5 | Very high | 90 Ų | 90 | 30.1 Ų | 30.1 | 58% | 0.584 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.4 | -176.9 | 28.3 | -37.3 | 0 | 0 | 0 | 113.6 | Q308 Y312 | Q308-P310 WeakPolarHBondContact O-CD 3.42Å; P310-Y312 VanDerWaalsContact C-N 3.25Å; P310-Y312 PolarHBondContact O-N 3.47Å |
| 311 | Q | 97.9 | Very high | 97.4 | Very high | 59 Ų | 59 | 29.1 Ų | 29.1 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5 | 177 | 72.8 | -80.2 | 14.3 | 0 | 0 | 114.4 | K278 L309 | K278-Q311 WeakPolarHBondContact CB-O 3.12Å; K278-Q311 HydrophobicContact CD-CB 4.17Å; K278-Q311 HydrophobicContact CD-CG 3.8Å; K278-Q311 HydrophobicContact CG-CB 4.24Å; K278-Q311 HydrophobicContact CG-CG 4.28Å; K278-Q311 PolarHBondContact N-O 2.87Å; L309-Q311 VanDerWaalsContact C-OE1 3.27Å; L309-Q311 PolarHBondContact O-N 2.84Å |
| 312 | Y | 98.5 | Very high | 97.2 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -118.5 | 148 | 177.1 | -68.2 | -79.2 | 0 | 0 | 0 | 110.9 | K278 G279 I281 L309 P310 N330 V349 L413 | K278-Y312 HydrophobicContact CB-CD1 3.98Å; K278-Y312 HydrophobicContact CB-CE1 3.56Å; G279-Y312 WeakPolarHBondContact O-CA 3.09Å; G279-Y312 WeakPolarHBondContact O-CD1 3.44Å; I281-Y312 HydrophobicContact CD1-CD2 4.38Å; I281-Y312 HydrophobicContact CD1-CG 4.06Å; I281-Y312 HydrophobicContact CG1-CD1 4.47Å; I281-Y312 HydrophobicContact CG1-CG 4.4Å; L309-Y312 HydrophobicContact CB-CD2 4.26Å; L309-Y312 HydrophobicContact CD2-CD2 4.11Å; L309-Y312 HydrophobicContact CD2-CE2 4.34Å; L309-Y312 PolarHBondContact O-N 3.25Å; P310-Y312 VanDerWaalsContact C-N 3.25Å; P310-Y312 PolarHBondContact O-N 3.47Å; Y312-N330 WeakPolarHBondContact O-CB 3.48Å; Y312-N330 PolarHBondContact O-ND2 2.6Å; Y312-N330 VanDerWaalsContact O-ND2 3.16Å; Y312-V349 HydrophobicContact CD1-CG2 4.18Å; Y312-V349 HydrophobicContact CE1-CG2 4.09Å; Y312-L413 HydrophobicContact CD2-CD1 4.41Å; Y312-L413 HydrophobicContact CE1-CD1 4.25Å; Y312-L413 HydrophobicContact CE1-CD2 4.49Å; Y312-L413 HydrophobicContact CE2-CD1 3.81Å |
| 313 | R | 98.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.6 | 168.1 | -69.2 | -73.8 | 171.3 | -170.1 | -7.9 | 108.3 | F271 D274 S277 G279 T280 I281 P329 | F271-R313 HydrophobicContact CD1-CB 4.28Å; F271-R313 HydrophobicContact CE1-CB 3.78Å; F271-R313 HydrophobicContact CE1-CG 4.44Å; F271-R313 HydrophobicContact CZ-CB 4.22Å; F271-R313 WeakPolarHBondContact O-CD 3.43Å; F271-R313 VanDerWaalsContact O-CG 3.26Å; F271-R313 WeakPolarHBondContact O-CG 3.23Å; D274-R313 HydrophobicContact CB-CG 4.41Å; D274-R313 IonicContact OD2-CZ 2.63Å; D274-R313 IonicContact OD2-NE 2.77Å; D274-R313 IonicContact OD2-NH2 3.76Å; D274-R313 PolarHBondContact OD2-NH2 2.84Å; S277-R313 WeakPolarHBondContact OG-CG 3.42Å; S277-R313 PolarHBondContact OG-N 3.21Å; G279-R313 PolarHBondContact O-N 2.93Å; T280-R313 CarbonylContact C-O 3.57Å; T280-R313 WeakPolarHBondContact CA-O 3.43Å; I281-R313 PolarHBondContact N-O 3.44Å; R313-P329 PolarHBondContact NH1-O 3.11Å |
| 314 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.9 | -173.9 | -52.8 | 179.3 | 0 | 0 | 0 | 108.5 | I281 F306 L309 N330 L331 K332 | I281-I314 HydrophobicContact CB-CG1 4.27Å; I281-I314 HydrophobicContact CB-CG2 4.49Å; I281-I314 HydrophobicContact CD1-CG1 4.44Å; I281-I314 CarbonylContact O-C 3.49Å; I281-I314 WeakPolarHBondContact O-CA 3.39Å; F306-I314 HydrophobicContact CB-CD1 3.76Å; F306-I314 HydrophobicContact CD1-CD1 3.56Å; F306-I314 HydrophobicContact CD1-CG2 4.26Å; F306-I314 HydrophobicContact CD2-CD1 4.43Å; F306-I314 HydrophobicContact CD2-CG2 3.95Å; F306-I314 HydrophobicContact CE1-CD1 4.11Å; F306-I314 HydrophobicContact CE1-CG2 3.96Å; F306-I314 HydrophobicContact CE2-CG2 3.65Å; F306-I314 HydrophobicContact CG-CD1 3.7Å; F306-I314 HydrophobicContact CG-CG2 4.22Å; F306-I314 HydrophobicContact CZ-CG2 3.61Å; L309-I314 HydrophobicContact CB-CD1 4.24Å; I314-N330 PolarHBondContact N-O 2.91Å; I314-L331 HydrophobicContact CB-CD1 3.54Å; I314-L331 HydrophobicContact CG2-CD1 3.41Å; I314-L331 VanDerWaalsContact CG2-CD1 3.41Å; I314-L331 CarbonylContact O-C 3.59Å; I314-L331 WeakPolarHBondContact O-CA 3.43Å; I314-K332 PolarHBondContact O-N 3.44Å |
| 315 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.8 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | Y268 F271 T280 I281 V282 F283 K332 I337 L342 | Y268-V315 HydrophobicContact CE1-CG1 3.97Å; F271-V315 HydrophobicContact CD1-CG2 3.92Å; F271-V315 HydrophobicContact CE1-CG2 3.65Å; T280-V315 HydrophobicContact CG2-CG2 4.14Å; I281-V315 PolarHBondContact O-N 2.96Å; V282-V315 CarbonylContact C-O 3.48Å; V282-V315 WeakPolarHBondContact CA-O 3.35Å; F283-V315 PolarHBondContact N-O 2.79Å; V315-K332 CarbonylContact C-O 3.34Å; V315-K332 WeakPolarHBondContact CA-O 3.42Å; V315-I337 HydrophobicContact CG1-CB 4.25Å; V315-I337 HydrophobicContact CG1-CD1 4.2Å; V315-I337 HydrophobicContact CG1-CG2 3.81Å; V315-L342 HydrophobicContact CB-CD1 4.34Å; V315-L342 HydrophobicContact CG1-CD1 3.74Å; V315-L342 HydrophobicContact CG2-CD2 4.22Å |
| 316 | W | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.5 | -175.5 | -174.5 | 8.3 | 0 | 0 | 0 | 111.4 | F283 W291 I299 I302 F306 F318 V325 L331 K332 I333 D334 | F283-W316 HydrophobicContact CB-CB 4.32Å; F283-W316 HydrophobicContact CB-CG 4.17Å; F283-W316 AromaticContact CD1-CD1 3.78Å; F283-W316 HydrophobicContact CD1-CD2 4.38Å; F283-W316 HydrophobicContact CD1-CG 4.19Å; F283-W316 AromaticContact CD1-NE1 3.76Å; F283-W316 AromaticContact CD2-CD1 3.99Å; F283-W316 AromaticContact CE1-NE1 3.99Å; F283-W316 AromaticContact CG-CD1 3.58Å; F283-W316 HydrophobicContact CG-CG 4.25Å; F283-W316 AromaticContact CG-NE1 3.88Å; W291-W316 AromaticContact CE2-NE1 3.67Å; W291-W316 HydrophobicContact CE3-CZ2 4.29Å; W291-W316 AromaticContact CH2-CZ2 3.74Å; W291-W316 HydrophobicContact CH2-CZ2 3.74Å; W291-W316 AromaticContact CH2-NE1 3.75Å; W291-W316 AromaticContact CZ2-CE2 3.96Å; W291-W316 HydrophobicContact CZ2-CZ2 4.06Å; W291-W316 AromaticContact CZ2-NE1 3.23Å; W291-W316 AromaticContact CZ3-CZ2 3.86Å; W291-W316 HydrophobicContact CZ3-CZ2 3.86Å; I299-W316 HydrophobicContact CG2-CH2 4.29Å; I302-W316 HydrophobicContact CB-CH2 4.13Å; I302-W316 HydrophobicContact CB-CZ2 4.48Å; I302-W316 HydrophobicContact CG2-CE3 4.42Å; I302-W316 HydrophobicContact CG2-CH2 3.51Å; I302-W316 HydrophobicContact CG2-CZ2 3.74Å; I302-W316 HydrophobicContact CG2-CZ3 3.88Å; F306-W316 HydrophobicContact CD2-CE3 4.09Å; F306-W316 HydrophobicContact CD2-CZ3 4.4Å; F306-W316 HydrophobicContact CE2-CD2 4.13Å; F306-W316 AromaticContact CE2-CE3 3.95Å; F306-W316 HydrophobicContact CE2-CE3 3.95Å; F306-W316 HydrophobicContact CE2-CG 4.41Å; W316-F318 HydrophobicContact CD2-CB 4.17Å; W316-F318 AromaticContact CE2-CD2 3.79Å; W316-F318 HydrophobicContact CG-CB 4.19Å; W316-F318 HydrophobicContact CH2-CD2 4.15Å; W316-F318 HydrophobicContact CH2-CE2 4.31Å; W316-F318 AromaticContact CZ2-CD2 3.55Å; W316-F318 HydrophobicContact CZ2-CD2 3.55Å; W316-F318 HydrophobicContact CZ2-CE2 4.01Å; W316-F318 HydrophobicContact CZ2-CG 4.31Å; W316-F318 PolarHBondContact O-N 3.31Å; W316-V325 HydrophobicContact CE3-CG1 4.44Å; W316-V325 HydrophobicContact CH2-CG1 3.57Å; W316-V325 HydrophobicContact CZ3-CB 4.02Å; W316-V325 HydrophobicContact CZ3-CG1 3.44Å; W316-V325 VanDerWaalsContact CZ3-CG1 3.44Å; W316-L331 HydrophobicContact CB-CD1 4.39Å; W316-L331 HydrophobicContact CE3-CD2 4.48Å; W316-K332 PolarHBondContact N-O 3.32Å; W316-I333 HydrophobicContact CE3-CD1 4.37Å; W316-I333 WeakPolarHBondContact O-CA 3.34Å; W316-D334 PolarHBondContact O-N 3.36Å |
| 317 | Q | 97.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 106.1 | 167.6 | -169.7 | -169.2 | -26.7 | 0 | 0 | 110 | F283 S284 G286 W291 D334 P335 W336 I337 | F283-Q317 WeakPolarHBondContact O-CB 3.45Å; F283-Q317 PolarHBondContact O-N 3.37Å; S284-Q317 PolarHBondContact OG-OE1 3.49Å; G286-Q317 PolarHBondContact O-NE2 2.94Å; W291-Q317 PolarHBondContact NE1-O 2.8Å; Q317-D334 CarbonylContact C-O 3.56Å; Q317-D334 VanDerWaalsContact CA-O 3.28Å; Q317-D334 WeakPolarHBondContact CA-O 3.29Å; Q317-P335 VanDerWaalsContact CG-O 3.22Å; Q317-P335 WeakPolarHBondContact CG-O 3.4Å; Q317-W336 VanDerWaalsContact NE2-CZ3 3.32Å; Q317-I337 HydrophobicContact CB-CD1 4Å; Q317-I337 HydrophobicContact CB-CG1 4.02Å; Q317-I337 HydrophobicContact CB-CG2 4.11Å; Q317-I337 HydrophobicContact CG-CG1 4.47Å |
| 318 | F | 97 | Very high | 95.8 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | trans | -145.2 | 118.4 | -174 | -179.3 | -98.9 | 0 | 0 | 0 | 110.8 | W291 I299 W316 G320 V325 I333 D334 P335 | W291-F318 HydrophobicContact CB-CD2 3.72Å; W291-F318 HydrophobicContact CB-CE2 3.62Å; W291-F318 HydrophobicContact CB-CZ 4.41Å; W291-F318 AromaticContact CD1-CD2 3.86Å; W291-F318 AromaticContact CD2-CD2 3.46Å; W291-F318 HydrophobicContact CD2-CD2 3.46Å; W291-F318 VanDerWaalsContact CD2-CD2 3.46Å; W291-F318 AromaticContact CD2-CE2 3.8Å; W291-F318 HydrophobicContact CD2-CE2 3.8Å; W291-F318 AromaticContact CE2-CD2 3.94Å; W291-F318 AromaticContact CE3-CD2 3.87Å; W291-F318 HydrophobicContact CE3-CD2 3.87Å; W291-F318 AromaticContact CE3-CE2 3.8Å; W291-F318 HydrophobicContact CE3-CE2 3.8Å; W291-F318 AromaticContact CG-CD2 3.4Å; W291-F318 HydrophobicContact CG-CD2 3.4Å; W291-F318 AromaticContact CG-CE2 3.75Å; W291-F318 HydrophobicContact CG-CE2 3.75Å; W291-F318 HydrophobicContact CG-CG 4.3Å; I299-F318 HydrophobicContact CD1-CE2 4.11Å; I299-F318 HydrophobicContact CD1-CZ 4.24Å; I299-F318 HydrophobicContact CG1-CE2 4.24Å; I299-F318 HydrophobicContact CG2-CE2 4Å; I299-F318 HydrophobicContact CG2-CZ 4Å; W316-F318 HydrophobicContact CD2-CB 4.17Å; W316-F318 AromaticContact CE2-CD2 3.79Å; W316-F318 HydrophobicContact CG-CB 4.19Å; W316-F318 HydrophobicContact CH2-CD2 4.15Å; W316-F318 HydrophobicContact CH2-CE2 4.31Å; W316-F318 AromaticContact CZ2-CD2 3.55Å; W316-F318 HydrophobicContact CZ2-CD2 3.55Å; W316-F318 HydrophobicContact CZ2-CE2 4.01Å; W316-F318 HydrophobicContact CZ2-CG 4.31Å; W316-F318 PolarHBondContact O-N 3.31Å; F318-G320 WeakPolarHBondContact CE1-O 3.28Å; F318-V325 HydrophobicContact CE1-CG1 4.17Å; F318-V325 HydrophobicContact CE1-CG2 4.27Å; F318-V325 HydrophobicContact CE2-CG1 4.4Å; F318-V325 HydrophobicContact CZ-CG1 4.02Å; F318-I333 HydrophobicContact CB-CG2 3.66Å; F318-I333 HydrophobicContact CD1-CG2 3.91Å; F318-I333 HydrophobicContact CG-CG2 4.18Å; F318-D334 PolarHBondContact N-O 3.19Å; F318-D334 CarbonylContact O-C 3.59Å; F318-P335 WeakPolarHBondContact O-CA 3.49Å | ||
| 319 | N | 94.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | trans | -107.1 | 13.6 | 179.2 | 73.2 | -41.1 | 0 | 0 | 0 | 112.7 | D290 W291 P335 | D290-N319 PolarHBondContact OD1-ND2 2.82Å; W291-N319 WeakPolarHBondContact CB-OD1 3.49Å; W291-N319 VanDerWaalsContact CD1-OD1 3.27Å; W291-N319 PolarHBondContact N-OD1 3.17Å; N319-P335 HydrophobicContact CB-CB 4.21Å | ||
| 320 | G | 93.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -86.2 | -167.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F318 V322 | F318-G320 WeakPolarHBondContact CE1-O 3.28Å; G320-V322 PolarHBondContact O-N 3.46Å |
| 321 | N | 94.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | trans | -73 | 109.6 | 177.1 | -176.7 | 1.1 | 0 | 0 | 0 | 111.2 | S323 M324 | N321-S323 VanDerWaalsContact CG-OG 3.27Å; N321-S323 PolarHBondContact ND2-OG 3.46Å; N321-S323 PolarHBondContact O-N 3.26Å; N321-S323 VanDerWaalsContact O-N 3.16Å; N321-S323 WeakPolarHBondContact OD1-CB 3.44Å; N321-S323 PolarHBondContact OD1-N 2.95Å; N321-S323 PolarHBondContact OD1-OG 3.21Å; N321-M324 HydrophobicContact CB-CE 4.07Å; N321-M324 HydrophobicContact CB-CG 4.12Å; N321-M324 HydrophobicContact CB-SD 4.08Å; N321-M324 WeakPolarHBondContact O-CB 3.42Å; N321-M324 PolarHBondContact O-N 2.86Å | ||
| 322 | V | 93.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 41.6 Ų | 41.6 | 53% | 0.527 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -62.3 | -21.3 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | G320 M324 V325 | G320-V322 PolarHBondContact O-N 3.46Å; V322-M324 PolarHBondContact O-N 3.1Å; V322-V325 HydrophobicContact CG1-CG2 4.13Å; V322-V325 WeakPolarHBondContact O-CG2 3.5Å; V322-V325 PolarHBondContact O-N 3.39Å |
| 323 | S | 92.7 | Very high | 95.6 | Very high | 99 Ų | 99 | 42 Ų | 42 | 69% | 0.692 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -68.7 | -12.1 | 175.6 | 80.3 | 0 | 0 | 0 | 0 | 113.8 | N321 | N321-S323 VanDerWaalsContact CG-OG 3.27Å; N321-S323 PolarHBondContact ND2-OG 3.46Å; N321-S323 PolarHBondContact O-N 3.26Å; N321-S323 VanDerWaalsContact O-N 3.16Å; N321-S323 WeakPolarHBondContact OD1-CB 3.44Å; N321-S323 PolarHBondContact OD1-N 2.95Å; N321-S323 PolarHBondContact OD1-OG 3.21Å |
| 324 | M | 92.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -89.7 | -6.5 | 179.1 | -61.1 | -179.6 | 176.5 | 0 | 0 | 113.3 | V296 I299 N321 V322 | V296-M324 HydrophobicContact CG2-CE 4.33Å; V296-M324 HydrophobicContact CG2-SD 4.29Å; I299-M324 HydrophobicContact CD1-SD 4.47Å; I299-M324 HydrophobicContact CG2-CB 4.15Å; N321-M324 HydrophobicContact CB-CE 4.07Å; N321-M324 HydrophobicContact CB-CG 4.12Å; N321-M324 HydrophobicContact CB-SD 4.08Å; N321-M324 WeakPolarHBondContact O-CB 3.42Å; N321-M324 PolarHBondContact O-N 2.86Å; V322-M324 PolarHBondContact O-N 3.1Å |
| 325 | V | 95.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -121.3 | 156.7 | -173.7 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | I299 S303 W316 F318 V322 I333 | I299-V325 HydrophobicContact CG2-CG1 3.49Å; I299-V325 VanDerWaalsContact CG2-CG1 3.49Å; S303-V325 WeakPolarHBondContact OG-CA 3.15Å; W316-V325 HydrophobicContact CE3-CG1 4.44Å; W316-V325 HydrophobicContact CH2-CG1 3.57Å; W316-V325 HydrophobicContact CZ3-CB 4.02Å; W316-V325 HydrophobicContact CZ3-CG1 3.44Å; W316-V325 VanDerWaalsContact CZ3-CG1 3.44Å; F318-V325 HydrophobicContact CE1-CG1 4.17Å; F318-V325 HydrophobicContact CE1-CG2 4.27Å; F318-V325 HydrophobicContact CE2-CG1 4.4Å; F318-V325 HydrophobicContact CZ-CG1 4.02Å; V322-V325 HydrophobicContact CG1-CG2 4.13Å; V322-V325 WeakPolarHBondContact O-CG2 3.5Å; V322-V325 PolarHBondContact O-N 3.39Å; V325-I333 HydrophobicContact CB-CD1 3.9Å; V325-I333 HydrophobicContact CG2-CD1 3.32Å |
| 326 | S | 92.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -63.6 | 138.6 | -174.3 | -165.5 | 0 | 0 | 0 | 0 | 112.8 | S303 E307 K328 | S303-S326 WeakPolarHBondContact OG-CB 3.48Å; S303-S326 PolarHBondContact OG-N 3.23Å; E307-S326 WeakPolarHBondContact CG-OG 3.45Å; E307-S326 WeakPolarHBondContact OE1-CB 3.33Å; E307-S326 PolarHBondContact OE1-OG 3.32Å; S326-K328 VanDerWaalsContact C-N 3.31Å; S326-K328 WeakPolarHBondContact OG-CG 3.07Å; S326-K328 PolarHBondContact OG-N 2.85Å | ||
| 327 | G | 90.9 | Very high | 95 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 85% | 0.845 | 31% | 0.308 | S | S | * | . | trans | -90 | 17.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 328 | K | 95.4 | Very high | 94.9 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | trans | -62.6 | 142.3 | -177.5 | -69 | -76.1 | -178.8 | -175.9 | 0 | 111 | E307 S326 N330 L331 | E307-K328 HydrophobicContact CG-CG 4.25Å; S326-K328 VanDerWaalsContact C-N 3.31Å; S326-K328 WeakPolarHBondContact OG-CG 3.07Å; S326-K328 PolarHBondContact OG-N 2.85Å; K328-N330 VanDerWaalsContact CB-OD1 3.31Å; K328-N330 WeakPolarHBondContact CB-OD1 3.38Å; K328-N330 PolarHBondContact O-N 3.31Å; K328-N330 VanDerWaalsContact O-N 3.07Å; K328-L331 PolarHBondContact O-N 2.68Å | ||
| 329 | P | 95.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 54.7 Ų | 54.7 | 69% | 0.688 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16 | -173.3 | 27.1 | -36.2 | 0 | 0 | 0 | 114 | R313 L331 | R313-P329 PolarHBondContact NH1-O 3.11Å; P329-L331 VanDerWaalsContact C-N 3.3Å |
| 330 | N | 96.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.1 | 175.6 | 73.4 | -63.1 | 0 | 0 | 0 | 113.6 | F271 L309 Y312 I314 K328 | F271-N330 VanDerWaalsContact CZ-O 3.26Å; F271-N330 WeakPolarHBondContact CZ-O 3.31Å; L309-N330 PolarHBondContact O-ND2 2.9Å; Y312-N330 WeakPolarHBondContact O-CB 3.48Å; Y312-N330 PolarHBondContact O-ND2 2.6Å; Y312-N330 VanDerWaalsContact O-ND2 3.16Å; I314-N330 PolarHBondContact N-O 2.91Å; K328-N330 VanDerWaalsContact CB-OD1 3.31Å; K328-N330 WeakPolarHBondContact CB-OD1 3.38Å; K328-N330 PolarHBondContact O-N 3.31Å; K328-N330 VanDerWaalsContact O-N 3.07Å |
| 331 | L | 97.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121 | 179.7 | -170.2 | 62.2 | 0 | 0 | 0 | 110 | F306 I314 W316 K328 P329 I333 | F306-L331 HydrophobicContact CD2-CD1 3.84Å; F306-L331 HydrophobicContact CE2-CD1 4.29Å; I314-L331 HydrophobicContact CB-CD1 3.54Å; I314-L331 HydrophobicContact CG2-CD1 3.41Å; I314-L331 VanDerWaalsContact CG2-CD1 3.41Å; I314-L331 CarbonylContact O-C 3.59Å; I314-L331 WeakPolarHBondContact O-CA 3.43Å; W316-L331 HydrophobicContact CB-CD1 4.39Å; W316-L331 HydrophobicContact CE3-CD2 4.48Å; K328-L331 PolarHBondContact O-N 2.68Å; P329-L331 VanDerWaalsContact C-N 3.3Å; L331-I333 HydrophobicContact CD1-CG1 4.49Å; L331-I333 HydrophobicContact CD2-CD1 3.67Å; L331-I333 HydrophobicContact CD2-CG1 4.1Å; L331-I333 HydrophobicContact CG-CD1 3.92Å; L331-I333 HydrophobicContact CG-CG1 3.75Å |
| 332 | K | 97.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.6 | 172.3 | 177.2 | 161 | 172.7 | 56.5 | 0 | 108.8 | E267 Y268 F271 I314 V315 W316 D334 | E267-K332 VanDerWaalsContact CD-NZ 3.3Å; E267-K332 WeakPolarHBondContact OE1-CE 3.45Å; E267-K332 IonicContact OE1-NZ 2.89Å; E267-K332 PolarHBondContact OE1-NZ 2.89Å; E267-K332 IonicContact OE2-NZ 3.13Å; Y268-K332 HydrophobicContact CD1-CD 3.97Å; Y268-K332 HydrophobicContact CE1-CD 3.83Å; Y268-K332 HydrophobicContact CE1-CG 4.43Å; F271-K332 HydrophobicContact CB-CD 4.49Å; F271-K332 HydrophobicContact CD1-CB 4.1Å; F271-K332 HydrophobicContact CD1-CD 4.38Å; F271-K332 HydrophobicContact CD2-CB 4.14Å; F271-K332 HydrophobicContact CE1-CB 3.69Å; F271-K332 HydrophobicContact CE2-CB 3.73Å; F271-K332 HydrophobicContact CG-CB 4.3Å; F271-K332 HydrophobicContact CG-CD 4.22Å; F271-K332 HydrophobicContact CZ-CB 3.47Å; F271-K332 VanDerWaalsContact CZ-CB 3.47Å; I314-K332 PolarHBondContact O-N 3.44Å; V315-K332 CarbonylContact C-O 3.34Å; V315-K332 WeakPolarHBondContact CA-O 3.42Å; W316-K332 PolarHBondContact N-O 3.32Å; K332-D334 WeakPolarHBondContact CE-OD2 3.24Å; K332-D334 IonicContact NZ-OD1 2.6Å; K332-D334 PolarHBondContact NZ-OD1 3.33Å; K332-D334 IonicContact NZ-OD2 3.58Å; K332-D334 PolarHBondContact NZ-OD2 3.49Å |
| 333 | I | 97.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.179 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.9 | -172.2 | -51.3 | -174.4 | 0 | 0 | 0 | 108.3 | W316 F318 V325 L331 | W316-I333 HydrophobicContact CE3-CD1 4.37Å; W316-I333 WeakPolarHBondContact O-CA 3.34Å; F318-I333 HydrophobicContact CB-CG2 3.66Å; F318-I333 HydrophobicContact CD1-CG2 3.91Å; F318-I333 HydrophobicContact CG-CG2 4.18Å; V325-I333 HydrophobicContact CB-CD1 3.9Å; V325-I333 HydrophobicContact CG2-CD1 3.32Å; L331-I333 HydrophobicContact CD1-CG1 4.49Å; L331-I333 HydrophobicContact CD2-CD1 3.67Å; L331-I333 HydrophobicContact CD2-CG1 4.1Å; L331-I333 HydrophobicContact CG-CD1 3.92Å; L331-I333 HydrophobicContact CG-CG1 3.75Å |
| 334 | D | 96.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.1 | 178.1 | -59.3 | -55.5 | 0 | 0 | 0 | 109.7 | Y268 W316 Q317 F318 K332 W336 I337 | Y268-D334 VanDerWaalsContact CZ-OD2 3.29Å; Y268-D334 PolarHBondContact OH-OD2 2.71Å; W316-D334 PolarHBondContact O-N 3.36Å; Q317-D334 CarbonylContact C-O 3.56Å; Q317-D334 VanDerWaalsContact CA-O 3.28Å; Q317-D334 WeakPolarHBondContact CA-O 3.29Å; F318-D334 PolarHBondContact N-O 3.19Å; F318-D334 CarbonylContact O-C 3.59Å; K332-D334 WeakPolarHBondContact CE-OD2 3.24Å; K332-D334 IonicContact NZ-OD1 2.6Å; K332-D334 PolarHBondContact NZ-OD1 3.33Å; K332-D334 IonicContact NZ-OD2 3.58Å; K332-D334 PolarHBondContact NZ-OD2 3.49Å; D334-W336 PolarHBondContact O-N 3.17Å; D334-I337 HydrophobicContact CB-CG2 4.13Å |
| 335 | P | 94.5 | Very high | 95.6 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -63.5 | -29.7 | 176.5 | 24.9 | -34 | 0 | 0 | 0 | 112.7 | Q317 F318 N319 | Q317-P335 VanDerWaalsContact CG-O 3.22Å; Q317-P335 WeakPolarHBondContact CG-O 3.4Å; F318-P335 WeakPolarHBondContact O-CA 3.49Å; N319-P335 HydrophobicContact CB-CB 4.21Å |
| 336 | W | 93.5 | Very high | 95.6 | Very high | 137 Ų | 137 | 46.5 Ų | 46.5 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -140.3 | 135.1 | 177.5 | -78.9 | 107.1 | 0 | 0 | 0 | 110.3 | H287 Q317 D334 | H287-W336 HydrophobicContact CB-CH2 3.95Å; H287-W336 AromaticContact CD2-CH2 3.55Å; H287-W336 AromaticContact CE1-CH2 3.89Å; H287-W336 AromaticContact CE1-CZ3 3.94Å; H287-W336 AromaticContact CG-CH2 3.47Å; H287-W336 VanDerWaalsContact CG-CH2 3.47Å; H287-W336 AromaticContact ND1-CH2 3.7Å; H287-W336 AromaticContact ND1-CZ3 4Å; H287-W336 AromaticContact NE2-CH2 3.88Å; Q317-W336 VanDerWaalsContact NE2-CZ3 3.32Å; D334-W336 PolarHBondContact O-N 3.17Å |
| 337 | I | 95.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | trans | -121.2 | 151.9 | -176.8 | 67.3 | 173.8 | 0 | 0 | 0 | 110.7 | V282 V315 Q317 D334 L339 L342 | V282-I337 HydrophobicContact CG1-CD1 3.71Å; V315-I337 HydrophobicContact CG1-CB 4.25Å; V315-I337 HydrophobicContact CG1-CD1 4.2Å; V315-I337 HydrophobicContact CG1-CG2 3.81Å; Q317-I337 HydrophobicContact CB-CD1 4Å; Q317-I337 HydrophobicContact CB-CG1 4.02Å; Q317-I337 HydrophobicContact CB-CG2 4.11Å; Q317-I337 HydrophobicContact CG-CG1 4.47Å; D334-I337 HydrophobicContact CB-CG2 4.13Å; I337-L339 HydrophobicContact CD1-CD1 4.35Å; I337-L339 HydrophobicContact CG1-CB 4.27Å; I337-L339 PolarHBondContact O-N 2.95Å; I337-L342 HydrophobicContact CB-CD1 3.99Å; I337-L342 HydrophobicContact CD1-CD1 3.92Å; I337-L342 HydrophobicContact CG1-CD1 4.2Å | ||
| 338 | P | 95.5 | Very high | 96.3 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | trans | -76.7 | 65.6 | 175.4 | 32.9 | -35.8 | 0 | 0 | 0 | 110.7 | L264 Y268 A341 L342 | L264-P338 HydrophobicContact CD2-CG 4.07Å; Y268-P338 HydrophobicContact CD1-CG 4.4Å; Y268-P338 HydrophobicContact CD2-CG 3.62Å; Y268-P338 HydrophobicContact CE1-CG 4.35Å; Y268-P338 HydrophobicContact CE2-CG 3.58Å; Y268-P338 HydrophobicContact CG-CG 4.06Å; P338-A341 HydrophobicContact CB-CB 4.37Å; P338-A341 PolarHBondContact O-N 2.8Å; P338-A341 VanDerWaalsContact O-N 3.08Å; P338-L342 HydrophobicContact CG-CD1 4.21Å; P338-L342 HydrophobicContact CG-CG 4.24Å; P338-L342 PolarHBondContact O-N 2.7Å | ||
| 339 | L | 95.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -51.3 | -48.5 | -169.5 | 177.5 | 67.5 | 0 | 0 | 0 | 113.7 | V282 I337 A341 L342 L343 F351 | V282-L339 HydrophobicContact CG1-CD1 3.69Å; I337-L339 HydrophobicContact CD1-CD1 4.35Å; I337-L339 HydrophobicContact CG1-CB 4.27Å; I337-L339 PolarHBondContact O-N 2.95Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 3.5Å; L339-L342 PolarHBondContact O-N 2.88Å; L339-L343 HydrophobicContact CD1-CD1 3.88Å; L339-L343 HydrophobicContact CD1-CD2 4.23Å; L339-L343 HydrophobicContact CD1-CG 3.8Å; L339-L343 HydrophobicContact CG-CD1 3.99Å; L339-L343 HydrophobicContact CG-CG 4.27Å; L339-L343 WeakPolarHBondContact O-CG 3.48Å; L339-L343 PolarHBondContact O-N 3.38Å; L339-F351 HydrophobicContact CD1-CD2 4.3Å; L339-F351 HydrophobicContact CD1-CE2 3.57Å; L339-F351 HydrophobicContact CD1-CZ 3.86Å; L339-F351 HydrophobicContact CD2-CE2 4.49Å; L339-F351 HydrophobicContact CD2-CZ 4.02Å |
| 340 | P | 94.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 179.9 | -25.8 | 36.4 | 0 | 0 | 0 | 113.8 | P259 Q344 | P259-P340 HydrophobicContact CB-CB 3.79Å; P259-P340 HydrophobicContact CB-CG 4.41Å; P259-P340 HydrophobicContact CG-CB 4.04Å; P259-P340 HydrophobicContact CG-CG 4.33Å; P340-Q344 WeakPolarHBondContact O-CB 3.46Å; P340-Q344 WeakPolarHBondContact O-CG 3.44Å; P340-Q344 PolarHBondContact O-N 2.94Å; P340-Q344 VanDerWaalsContact O-N 3.14Å; P340-Q344 PolarHBondContact O-NE2 3.48Å |
| 341 | A | 96.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.1 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A262 L264 P338 L339 Q344 H345 | A262-A341 HydrophobicContact CB-CB 4Å; A262-A341 WeakPolarHBondContact O-CB 3.4Å; L264-A341 HydrophobicContact CD2-CB 3.57Å; L264-A341 HydrophobicContact CG-CB 4.16Å; P338-A341 HydrophobicContact CB-CB 4.37Å; P338-A341 PolarHBondContact O-N 2.8Å; P338-A341 VanDerWaalsContact O-N 3.08Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 3.5Å; A341-Q344 PolarHBondContact O-N 3.44Å; A341-H345 PolarHBondContact O-N 2.89Å; A341-H345 VanDerWaalsContact O-N 3.16Å |
| 342 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.9 | -71.4 | 166.2 | 0 | 0 | 0 | 111.7 | L264 Y268 V272 V282 V315 I337 P338 L339 Q344 H345 T348 | L264-L342 HydrophobicContact CD1-CD2 4.38Å; L264-L342 HydrophobicContact CD2-CD2 3.79Å; L264-L342 HydrophobicContact CD2-CG 3.91Å; Y268-L342 HydrophobicContact CD1-CD2 4.2Å; V272-L342 HydrophobicContact CG2-CD2 3.88Å; V282-L342 HydrophobicContact CG1-CD1 4.4Å; V282-L342 HydrophobicContact CG2-CB 3.95Å; V315-L342 HydrophobicContact CB-CD1 4.34Å; V315-L342 HydrophobicContact CG1-CD1 3.74Å; V315-L342 HydrophobicContact CG2-CD2 4.22Å; I337-L342 HydrophobicContact CB-CD1 3.99Å; I337-L342 HydrophobicContact CD1-CD1 3.92Å; I337-L342 HydrophobicContact CG1-CD1 4.2Å; P338-L342 HydrophobicContact CG-CD1 4.21Å; P338-L342 HydrophobicContact CG-CG 4.24Å; P338-L342 PolarHBondContact O-N 2.7Å; L339-L342 PolarHBondContact O-N 2.88Å; L342-Q344 VanDerWaalsContact C-N 3.32Å; L342-Q344 PolarHBondContact O-N 2.79Å; L342-H345 WeakPolarHBondContact O-CB 3.1Å; L342-H345 PolarHBondContact O-N 3.5Å; L342-T348 WeakPolarHBondContact O-CB 3.31Å; L342-T348 PolarHBondContact O-OG1 2.87Å |
| 343 | L | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -32.4 | 178.6 | -66.6 | -179.3 | 0 | 0 | 0 | 112.8 | L339 H345 T348 F351 E362 F366 V368 | L339-L343 HydrophobicContact CD1-CD1 3.88Å; L339-L343 HydrophobicContact CD1-CD2 4.23Å; L339-L343 HydrophobicContact CD1-CG 3.8Å; L339-L343 HydrophobicContact CG-CD1 3.99Å; L339-L343 HydrophobicContact CG-CG 4.27Å; L339-L343 WeakPolarHBondContact O-CG 3.48Å; L339-L343 PolarHBondContact O-N 3.38Å; L343-H345 VanDerWaalsContact C-N 3.28Å; L343-H345 PolarHBondContact O-N 3.19Å; L343-T348 HydrophobicContact CD2-CG2 4.32Å; L343-F351 HydrophobicContact CD1-CD1 4.38Å; L343-F351 HydrophobicContact CD1-CE1 4.28Å; L343-F351 HydrophobicContact CD2-CB 3.86Å; L343-F351 HydrophobicContact CD2-CD1 4.18Å; L343-F351 HydrophobicContact CD2-CD2 3.91Å; L343-F351 HydrophobicContact CD2-CE2 4.5Å; L343-F351 HydrophobicContact CD2-CG 3.73Å; L343-E362 HydrophobicContact CD1-CB 3.85Å; L343-F366 HydrophobicContact CB-CB 4.35Å; L343-F366 HydrophobicContact CB-CD2 3.65Å; L343-F366 HydrophobicContact CB-CE2 4.46Å; L343-F366 HydrophobicContact CB-CG 4.38Å; L343-F366 VanDerWaalsContact O-CB 3.27Å; L343-F366 WeakPolarHBondContact O-CB 3.44Å; L343-V368 HydrophobicContact CB-CG2 4.5Å; L343-V368 HydrophobicContact CD2-CB 4.38Å; L343-V368 HydrophobicContact CD2-CG1 4.34Å; L343-V368 HydrophobicContact CD2-CG2 4.27Å; L343-V368 WeakPolarHBondContact O-CG2 3.33Å |
| 344 | Q | 95.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.6 | -25.5 | 175.2 | -80.6 | 176.6 | 75.4 | 0 | 0 | 113.5 | K260 P340 A341 L342 S346 F366 | K260-Q344 PolarHBondContact O-NE2 3.45Å; P340-Q344 WeakPolarHBondContact O-CB 3.46Å; P340-Q344 WeakPolarHBondContact O-CG 3.44Å; P340-Q344 PolarHBondContact O-N 2.94Å; P340-Q344 VanDerWaalsContact O-N 3.14Å; P340-Q344 PolarHBondContact O-NE2 3.48Å; A341-Q344 PolarHBondContact O-N 3.44Å; L342-Q344 VanDerWaalsContact C-N 3.32Å; L342-Q344 PolarHBondContact O-N 2.79Å; Q344-S346 PolarHBondContact O-N 3.31Å; Q344-F366 HydrophobicContact CB-CD1 4.38Å; Q344-F366 VanDerWaalsContact CD-CE1 3.5Å; Q344-F366 VanDerWaalsContact CD-CZ 3.45Å; Q344-F366 HydrophobicContact CG-CD1 3.29Å; Q344-F366 HydrophobicContact CG-CD2 3.81Å; Q344-F366 HydrophobicContact CG-CE1 3.12Å; Q344-F366 HydrophobicContact CG-CE2 3.64Å; Q344-F366 HydrophobicContact CG-CG 3.64Å; Q344-F366 HydrophobicContact CG-CZ 3.29Å |
| 345 | H | 97 | Very high | 96.5 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -67.4 | 132.6 | -174.9 | -161.1 | -85.7 | 0 | 0 | 0 | 111.6 | L264 V272 E273 A341 L342 L343 R347 T348 | L264-H345 HydrophobicContact CD1-CB 4.33Å; V272-H345 HydrophobicContact CG1-CB 4.49Å; V272-H345 VanDerWaalsContact CG1-ND1 3.26Å; V272-H345 WeakPolarHBondContact CG1-ND1 3.31Å; E273-H345 IonicContact OE1-NE2 3.68Å; E273-H345 PolarHBondContact OE1-NE2 2.98Å; A341-H345 PolarHBondContact O-N 2.89Å; A341-H345 VanDerWaalsContact O-N 3.16Å; L342-H345 WeakPolarHBondContact O-CB 3.1Å; L342-H345 PolarHBondContact O-N 3.5Å; L343-H345 VanDerWaalsContact C-N 3.28Å; L343-H345 PolarHBondContact O-N 3.19Å; H345-R347 WeakPolarHBondContact ND1-CB 3.27Å; H345-R347 PolarHBondContact ND1-N 3.37Å; H345-R347 PolarHBondContact O-N 2.93Å; H345-R347 VanDerWaalsContact O-N 3.1Å; H345-T348 WeakPolarHBondContact O-CB 3.43Å; H345-T348 PolarHBondContact O-N 3.35Å |
| 346 | S | 95.6 | Very high | 96.4 | Very high | 114 Ų | 114 | 29.8 Ų | 29.8 | 80% | 0.797 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.2 | -175.1 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | Q344 T348 | Q344-S346 PolarHBondContact O-N 3.31Å; S346-T348 VanDerWaalsContact C-N 3.3Å; S346-T348 PolarHBondContact O-N 2.83Å |
| 347 | R | 97.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 24.4 Ų | 24.4 | 29% | 0.291 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.6 | 175.5 | -65.1 | -66.9 | -148.6 | 145.1 | 13.9 | 113.7 | V272 E273 D274 S277 G279 T280 H345 V349 | V272-R347 HydrophobicContact CG1-CB 3.83Å; V272-R347 HydrophobicContact CG1-CG 4.34Å; E273-R347 PolarHBondContact O-NH2 3.38Å; D274-R347 PolarHBondContact O-NH2 2.79Å; S277-R347 PolarHBondContact O-NH1 3.2Å; S277-R347 VanDerWaalsContact O-NH1 3.12Å; G279-R347 CarbonylContact C-O 3.58Å; G279-R347 VanDerWaalsContact CA-O 3.26Å; G279-R347 WeakPolarHBondContact CA-O 3.49Å; T280-R347 PolarHBondContact N-O 3.29Å; H345-R347 WeakPolarHBondContact ND1-CB 3.27Å; H345-R347 PolarHBondContact ND1-N 3.37Å; H345-R347 PolarHBondContact O-N 2.93Å; H345-R347 VanDerWaalsContact O-N 3.1Å; R347-V349 PolarHBondContact O-N 3.21Å |
| 348 | T | 98.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.8 | -177.1 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | T280 V282 L342 L343 H345 S346 V368 | T280-T348 WeakPolarHBondContact O-CA 3.34Å; V282-T348 HydrophobicContact CG2-CG2 3.83Å; L342-T348 WeakPolarHBondContact O-CB 3.31Å; L342-T348 PolarHBondContact O-OG1 2.87Å; L343-T348 HydrophobicContact CD2-CG2 4.32Å; H345-T348 WeakPolarHBondContact O-CB 3.43Å; H345-T348 PolarHBondContact O-N 3.35Å; S346-T348 VanDerWaalsContact C-N 3.3Å; S346-T348 PolarHBondContact O-N 2.83Å; T348-V368 HydrophobicContact CG2-CG1 3.83Å; T348-V368 HydrophobicContact CG2-CG2 4.13Å |
| 349 | V | 98.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 29% | 0.285 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -23 | -172.2 | -67.6 | 0 | 0 | 0 | 0 | 113.6 | T280 I281 Y312 R347 L413 | T280-V349 WeakPolarHBondContact O-CG2 3.49Å; T280-V349 PolarHBondContact O-N 3.16Å; I281-V349 HydrophobicContact CG1-CG2 4.47Å; Y312-V349 HydrophobicContact CD1-CG2 4.18Å; Y312-V349 HydrophobicContact CE1-CG2 4.09Å; R347-V349 PolarHBondContact O-N 3.21Å; V349-L413 HydrophobicContact CB-CD2 4.11Å; V349-L413 HydrophobicContact CG2-CD2 3.7Å |
| 350 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 137.9 | -178.2 | 176.1 | 63.7 | 0 | 0 | 0 | 110.9 | I281 V282 I352 L371 I409 V412 L413 | I281-L350 WeakPolarHBondContact CA-O 3.45Å; I281-L350 HydrophobicContact CD1-CD2 4.48Å; I281-L350 HydrophobicContact CG1-CB 4.25Å; I281-L350 HydrophobicContact CG1-CD2 4.49Å; I281-L350 HydrophobicContact CG2-CB 4.26Å; I281-L350 HydrophobicContact CG2-CD2 4.02Å; I281-L350 HydrophobicContact CG2-CG 4.21Å; V282-L350 PolarHBondContact N-O 2.79Å; L350-I352 HydrophobicContact CD2-CD1 4.48Å; L350-I352 HydrophobicContact CD2-CG1 4.16Å; L350-I352 HydrophobicContact CG-CG1 4.22Å; L350-L371 HydrophobicContact CD1-CB 4.2Å; L350-I409 HydrophobicContact CD2-CB 4.19Å; L350-I409 HydrophobicContact CD2-CG1 4.11Å; L350-I409 HydrophobicContact CD2-CG2 3.75Å; L350-V412 HydrophobicContact CD1-CB 3.92Å; L350-V412 HydrophobicContact CD1-CG1 3.64Å; L350-V412 HydrophobicContact CD1-CG2 4.38Å; L350-L413 HydrophobicContact CB-CD2 3.88Å; L350-L413 HydrophobicContact CD2-CD2 4.42Å; L350-L413 HydrophobicContact CD2-CG 4.33Å |
| 351 | F | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 112.3 | 170.4 | -178.7 | -141.2 | 0 | 0 | 0 | 111.5 | V282 L339 L343 T353 A363 V368 P369 M370 L371 | V282-F351 HydrophobicContact CB-CD2 4.12Å; V282-F351 HydrophobicContact CG1-CD2 4.1Å; V282-F351 HydrophobicContact CG1-CE2 4.24Å; V282-F351 CarbonylContact O-C 3.58Å; V282-F351 WeakPolarHBondContact O-CA 3.36Å; V282-F351 WeakPolarHBondContact O-CD2 3.23Å; L339-F351 HydrophobicContact CD1-CD2 4.3Å; L339-F351 HydrophobicContact CD1-CE2 3.57Å; L339-F351 HydrophobicContact CD1-CZ 3.86Å; L339-F351 HydrophobicContact CD2-CE2 4.49Å; L339-F351 HydrophobicContact CD2-CZ 4.02Å; L343-F351 HydrophobicContact CD1-CD1 4.38Å; L343-F351 HydrophobicContact CD1-CE1 4.28Å; L343-F351 HydrophobicContact CD2-CB 3.86Å; L343-F351 HydrophobicContact CD2-CD1 4.18Å; L343-F351 HydrophobicContact CD2-CD2 3.91Å; L343-F351 HydrophobicContact CD2-CE2 4.5Å; L343-F351 HydrophobicContact CD2-CG 3.73Å; F351-T353 HydrophobicContact CD1-CG2 3.77Å; F351-T353 HydrophobicContact CE1-CG2 3.7Å; F351-T353 WeakPolarHBondContact CE1-OG1 2.99Å; F351-T353 HydrophobicContact CG-CG2 4.46Å; F351-T353 VanDerWaalsContact CZ-CB 3.44Å; F351-T353 HydrophobicContact CZ-CG2 4.31Å; F351-T353 WeakPolarHBondContact CZ-OG1 3.28Å; F351-A363 HydrophobicContact CD1-CB 3.73Å; F351-A363 HydrophobicContact CE1-CB 4.32Å; F351-V368 HydrophobicContact CB-CB 4.48Å; F351-V368 HydrophobicContact CB-CG1 3.74Å; F351-P369 PolarHBondContact N-O 2.86Å; F351-M370 HydrophobicContact CB-CG 4.4Å; F351-M370 HydrophobicContact CD1-CG 4.18Å; F351-M370 CarbonylContact O-C 3.55Å; F351-M370 VanDerWaalsContact O-CA 3.22Å; F351-M370 WeakPolarHBondContact O-CA 3.32Å; F351-L371 PolarHBondContact O-N 3.16Å |
| 352 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118 | 172.5 | -49.8 | -177.3 | 0 | 0 | 0 | 107.8 | I281 V282 F283 S284 F306 L350 L371 I373 F405 I409 | I281-I352 HydrophobicContact CG2-CD1 3.74Å; I281-I352 HydrophobicContact CG2-CG1 3.94Å; V282-I352 PolarHBondContact O-N 2.94Å; F283-I352 WeakPolarHBondContact CA-O 3.41Å; F283-I352 HydrophobicContact CB-CB 4.1Å; F283-I352 HydrophobicContact CD1-CB 4.3Å; F283-I352 HydrophobicContact CD1-CD1 4.28Å; F283-I352 HydrophobicContact CD1-CG2 4.04Å; F283-I352 HydrophobicContact CD2-CB 4.19Å; F283-I352 HydrophobicContact CD2-CG2 3.98Å; F283-I352 HydrophobicContact CE1-CG2 4.02Å; F283-I352 HydrophobicContact CE2-CG2 4.04Å; F283-I352 HydrophobicContact CG-CB 3.93Å; F283-I352 HydrophobicContact CG-CG2 3.96Å; F283-I352 HydrophobicContact CZ-CG2 4Å; S284-I352 PolarHBondContact N-O 3.28Å; F306-I352 HydrophobicContact CE1-CD1 3.85Å; F306-I352 HydrophobicContact CZ-CD1 3.88Å; L350-I352 HydrophobicContact CD2-CD1 4.48Å; L350-I352 HydrophobicContact CD2-CG1 4.16Å; L350-I352 HydrophobicContact CG-CG1 4.22Å; I352-L371 WeakPolarHBondContact CA-O 3.41Å; I352-L371 HydrophobicContact CB-CB 4.44Å; I352-L371 HydrophobicContact CD1-CD2 4.15Å; I352-L371 HydrophobicContact CG1-CB 4.09Å; I352-L371 HydrophobicContact CG1-CD2 4.15Å; I352-L371 HydrophobicContact CG2-CB 4.36Å; I352-L371 HydrophobicContact CG2-CD2 4.19Å; I352-L371 HydrophobicContact CG2-CG 4.32Å; I352-I373 HydrophobicContact CG2-CD1 4.19Å; I352-F405 HydrophobicContact CD1-CE1 4.41Å; I352-F405 HydrophobicContact CD1-CE2 4.14Å; I352-F405 HydrophobicContact CD1-CZ 3.59Å; I352-F405 HydrophobicContact CG2-CE2 4Å; I352-F405 HydrophobicContact CG2-CZ 4.25Å; I352-I409 HydrophobicContact CD1-CD1 4Å; I352-I409 HydrophobicContact CD1-CG1 4.01Å |
| 353 | T | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 151.3 | -169.3 | -170.3 | 0 | 0 | 0 | 0 | 113.3 | S284 F351 S355 S359 M370 L371 S372 I373 | S284-T353 WeakPolarHBondContact O-CA 3.4Å; S284-T353 PolarHBondContact O-OG1 3.4Å; F351-T353 HydrophobicContact CD1-CG2 3.77Å; F351-T353 HydrophobicContact CE1-CG2 3.7Å; F351-T353 WeakPolarHBondContact CE1-OG1 2.99Å; F351-T353 HydrophobicContact CG-CG2 4.46Å; F351-T353 VanDerWaalsContact CZ-CB 3.44Å; F351-T353 HydrophobicContact CZ-CG2 4.31Å; F351-T353 WeakPolarHBondContact CZ-OG1 3.28Å; T353-S355 PolarHBondContact O-N 3.48Å; T353-S355 PolarHBondContact OG1-N 2.84Å; T353-S359 PolarHBondContact OG1-OG 3.04Å; T353-M370 HydrophobicContact CG2-CB 4.45Å; T353-M370 HydrophobicContact CG2-CG 4.15Å; T353-M370 HydrophobicContact CG2-SD 4.06Å; T353-L371 PolarHBondContact N-O 2.83Å; T353-S372 CarbonylContact O-C 3.58Å; T353-S372 VanDerWaalsContact O-CA 3.25Å; T353-S372 WeakPolarHBondContact O-CA 3.45Å; T353-I373 PolarHBondContact O-N 3.22Å |
| 354 | H | 95.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 21.6 Ų | 21.6 | 8% | 0.079 | 12% | 0.117 | C | C | . | . | trans | -70 | -6 | 166.8 | 71.1 | -44 | 0 | 0 | 0 | 113.3 | F285 G356 I373 L375 Q379 | F285-H354 HydrophobicContact CB-CB 4.22Å; F285-H354 HydrophobicContact CD1-CB 3.73Å; F285-H354 HydrophobicContact CE1-CB 4.27Å; F285-H354 HydrophobicContact CG-CB 4.05Å; F285-H354 PolarHBondContact O-CD2 3.03Å; F285-H354 PolarHBondContact O-CE1 3.34Å; F285-H354 PolarHBondContact O-ND1 3.31Å; F285-H354 PolarHBondContact O-NE2 3.01Å; H354-G356 VanDerWaalsContact C-N 3.35Å; H354-G356 PolarHBondContact CE1-N 3.46Å; H354-G356 PolarHBondContact ND1-N 3.13Å; H354-G356 WeakPolarHBondContact NE2-CA 3.4Å; H354-G356 PolarHBondContact O-N 3.22Å; H354-I373 VanDerWaalsContact CA-O 3.32Å; H354-I373 WeakPolarHBondContact CA-O 3.4Å; H354-L375 HydrophobicContact CB-CG 4.23Å; H354-Q379 PolarHBondContact CD2-NE2 3.01Å; H354-Q379 WeakPolarHBondContact O-CB 3.29Å; H354-Q379 WeakPolarHBondContact O-CG 3.45Å | ||
| 355 | S | 93.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | 60.6 | 38.6 | -175 | -70.2 | 0 | 0 | 0 | 0 | 113.7 | T353 S372 N382 | T353-S355 PolarHBondContact O-N 3.48Å; T353-S355 PolarHBondContact OG1-N 2.84Å; S355-S372 WeakPolarHBondContact OG-CB 3.48Å; S355-S372 PolarHBondContact OG-OG 3.45Å; S355-N382 WeakPolarHBondContact O-CB 3.41Å; S355-N382 PolarHBondContact O-ND2 3.14Å | ||
| 356 | G | 91.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 9% | 0.093 | 11% | 0.109 | C | C | . | . | trans | -55.7 | 145.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | H354 K358 S359 F360 | H354-G356 VanDerWaalsContact C-N 3.35Å; H354-G356 PolarHBondContact CE1-N 3.46Å; H354-G356 PolarHBondContact ND1-N 3.13Å; H354-G356 WeakPolarHBondContact NE2-CA 3.4Å; H354-G356 PolarHBondContact O-N 3.22Å; G356-K358 VanDerWaalsContact C-N 3.26Å; G356-K358 PolarHBondContact O-N 3.38Å; G356-K358 VanDerWaalsContact O-N 3.09Å; G356-S359 PolarHBondContact O-N 3.43Å; G356-S359 PolarHBondContact O-OG 2.62Å; G356-F360 VanDerWaalsContact O-CB 3.27Å; G356-F360 WeakPolarHBondContact O-CB 3.45Å; G356-F360 PolarHBondContact O-N 3.43Å | ||
| 357 | I | 88.6 | Confident | 95.5 | Very high | 25 Ų | 25 | 14.9 Ų | 14.9 | 13% | 0.128 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -51.1 | -41.7 | -169.1 | -167.9 | 162.9 | 0 | 0 | 0 | 114.1 | S236 M237 R361 N382 | S236-I357 VanDerWaalsContact OG-CD1 3.25Å; S236-I357 WeakPolarHBondContact OG-CD1 3.33Å; M237-I357 HydrophobicContact CB-CD1 4.35Å; M237-I357 HydrophobicContact CE-CD1 3.88Å; M237-I357 HydrophobicContact CE-CG1 3.69Å; I357-R361 PolarHBondContact O-N 3.44Å; I357-R361 VanDerWaalsContact O-N 3.1Å; I357-N382 PolarHBondContact N-ND2 3.27Å |
| 358 | K | 88.9 | Confident | 95.5 | Very high | 34 Ų | 34 | 11.3 Ų | 11.3 | 15% | 0.148 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -73.7 | -50.1 | 179.9 | -65.5 | -169 | -65.7 | -169.5 | 0 | 112.8 | S37 Y256 G356 F360 R361 E362 | S37-K358 PolarHBondContact O-NZ 3.38Å; Y256-K358 HydrophobicContact CD1-CB 4.48Å; Y256-K358 HydrophobicContact CD1-CG 4.5Å; Y256-K358 HydrophobicContact CD2-CD 3.97Å; Y256-K358 HydrophobicContact CD2-CG 4.14Å; Y256-K358 HydrophobicContact CE1-CB 4.32Å; Y256-K358 HydrophobicContact CE2-CD 3.72Å; Y256-K358 HydrophobicContact CE2-CG 4.24Å; Y256-K358 HydrophobicContact CG-CG 4.26Å; G356-K358 VanDerWaalsContact C-N 3.26Å; G356-K358 PolarHBondContact O-N 3.38Å; G356-K358 VanDerWaalsContact O-N 3.09Å; K358-F360 PolarHBondContact O-N 3.24Å; K358-R361 CarbonylContact O-C 3.57Å; K358-R361 WeakPolarHBondContact O-CA 3.2Å; K358-R361 WeakPolarHBondContact O-CB 3.37Å; K358-R361 PolarHBondContact O-N 3.4Å; K358-E362 WeakPolarHBondContact O-CG 3.12Å; K358-E362 PolarHBondContact O-N 2.74Å |
| 359 | S | 92.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 11.3 Ų | 11.3 | 8% | 0.077 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.2 | -33.2 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | T353 G356 E362 A363 | T353-S359 PolarHBondContact OG1-OG 3.04Å; G356-S359 PolarHBondContact O-N 3.43Å; G356-S359 PolarHBondContact O-OG 2.62Å; S359-E362 PolarHBondContact O-N 2.88Å; S359-A363 WeakPolarHBondContact O-CB 3.34Å; S359-A363 PolarHBondContact O-N 2.88Å |
| 360 | F | 94.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 168.7 | 175.8 | -115.5 | 0 | 0 | 0 | 111.3 | M237 L241 G356 K358 A363 V364 M370 N382 L385 T386 L391 | M237-F360 HydrophobicContact CE-CD1 4.3Å; M237-F360 HydrophobicContact CE-CE1 4.41Å; L241-F360 HydrophobicContact CD1-CE1 3.57Å; L241-F360 HydrophobicContact CD1-CZ 3.67Å; L241-F360 HydrophobicContact CD2-CD1 3.99Å; L241-F360 HydrophobicContact CD2-CE1 3.65Å; L241-F360 HydrophobicContact CG-CD1 4.41Å; L241-F360 HydrophobicContact CG-CE1 3.58Å; L241-F360 HydrophobicContact CG-CZ 4.2Å; G356-F360 VanDerWaalsContact O-CB 3.27Å; G356-F360 WeakPolarHBondContact O-CB 3.45Å; G356-F360 PolarHBondContact O-N 3.43Å; K358-F360 PolarHBondContact O-N 3.24Å; F360-A363 PolarHBondContact O-N 2.89Å; F360-V364 WeakPolarHBondContact O-CG2 3.22Å; F360-V364 PolarHBondContact O-N 3.33Å; F360-M370 HydrophobicContact CD2-CE 3.59Å; F360-M370 HydrophobicContact CD2-SD 3.7Å; F360-M370 HydrophobicContact CE2-CE 3.58Å; F360-M370 HydrophobicContact CE2-SD 4.29Å; F360-N382 HydrophobicContact CD1-CB 4.45Å; F360-N382 HydrophobicContact CG-CB 4.44Å; F360-L385 HydrophobicContact CE1-CB 4.15Å; F360-L385 HydrophobicContact CE1-CD1 4.02Å; F360-L385 HydrophobicContact CE2-CB 4.48Å; F360-L385 HydrophobicContact CZ-CB 3.67Å; F360-L385 HydrophobicContact CZ-CD1 4.39Å; F360-T386 WeakPolarHBondContact CE2-OG1 3.49Å; F360-L391 HydrophobicContact CE2-CD1 4.23Å; F360-L391 HydrophobicContact CZ-CD1 4.4Å |
| 361 | R | 93 | Very high | 95.5 | Very high | 10 Ų | 10 | 9.1 Ų | 9.1 | 4% | 0.038 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 176.5 | -175.1 | 58.4 | 176.6 | 113.4 | -3.7 | 112.8 | D255 Y256 I357 K358 V364 C365 | D255-R361 IonicContact OD1-NE 3.44Å; D255-R361 PolarHBondContact OD1-NE 3.21Å; D255-R361 IonicContact OD2-CZ 2.9Å; D255-R361 IonicContact OD2-NE 2.82Å; D255-R361 PolarHBondContact OD2-NE 2.99Å; D255-R361 IonicContact OD2-NH2 3.96Å; D255-R361 PolarHBondContact OD2-NH2 2.79Å; Y256-R361 HydrophobicContact CD1-CB 4.22Å; Y256-R361 HydrophobicContact CD1-CG 4.07Å; I357-R361 PolarHBondContact O-N 3.44Å; I357-R361 VanDerWaalsContact O-N 3.1Å; K358-R361 CarbonylContact O-C 3.57Å; K358-R361 WeakPolarHBondContact O-CA 3.2Å; K358-R361 WeakPolarHBondContact O-CB 3.37Å; K358-R361 PolarHBondContact O-N 3.4Å; R361-V364 PolarHBondContact O-N 3.27Å; R361-C365 PolarHBondContact NH1-SG 3.02Å; R361-C365 VanDerWaalsContact NH1-SG 3.45Å; R361-C365 PolarHBondContact O-N 3.49Å; R361-C365 PolarHBondContact O-SG 2.76Å |
| 362 | E | 94.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 9.1 Ų | 9.1 | 6% | 0.061 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 177.7 | -69.9 | 172.7 | -174.7 | 0 | 0 | 111.9 | Y256 P259 L343 K358 S359 V364 C365 F366 | Y256-E362 HydrophobicContact CE1-CG 3.75Å; Y256-E362 WeakPolarHBondContact CE1-OE1 3.21Å; Y256-E362 PolarHBondContact OH-OE1 3.06Å; P259-E362 HydrophobicContact CG-CG 3.79Å; L343-E362 HydrophobicContact CD1-CB 3.85Å; K358-E362 WeakPolarHBondContact O-CG 3.12Å; K358-E362 PolarHBondContact O-N 2.74Å; S359-E362 PolarHBondContact O-N 2.88Å; E362-V364 VanDerWaalsContact C-N 3.27Å; E362-V364 PolarHBondContact O-N 2.94Å; E362-C365 WeakPolarHBondContact O-CB 3.31Å; E362-C365 PolarHBondContact O-N 3.42Å; E362-F366 HydrophobicContact CB-CD2 4.49Å; E362-F366 HydrophobicContact CB-CE2 4.31Å; E362-F366 WeakPolarHBondContact O-CD2 3.47Å; E362-F366 PolarHBondContact O-N 2.87Å |
| 363 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F351 S359 F360 A367 V368 M370 I422 | F351-A363 HydrophobicContact CD1-CB 3.73Å; F351-A363 HydrophobicContact CE1-CB 4.32Å; S359-A363 WeakPolarHBondContact O-CB 3.34Å; S359-A363 PolarHBondContact O-N 2.88Å; F360-A363 PolarHBondContact O-N 2.89Å; A363-A367 CarbonylContact O-C 3.57Å; A363-A367 WeakPolarHBondContact O-CA 3.33Å; A363-A367 PolarHBondContact O-N 2.84Å; A363-V368 PolarHBondContact O-N 3.32Å; A363-M370 HydrophobicContact CB-CE 4.06Å; A363-M370 HydrophobicContact CB-CG 3.8Å; A363-M370 HydrophobicContact CB-SD 3.46Å; A363-M370 WeakPolarHBondContact CB-SD 3.23Å; A363-I422 WeakPolarHBondContact O-CD1 3.43Å |
| 364 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -69.4 | -44.3 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | L241 F360 R361 E362 F366 A367 M370 L391 I422 L425 S426 L429 | L241-V364 HydrophobicContact CD1-CG2 4Å; F360-V364 WeakPolarHBondContact O-CG2 3.22Å; F360-V364 PolarHBondContact O-N 3.33Å; R361-V364 PolarHBondContact O-N 3.27Å; E362-V364 VanDerWaalsContact C-N 3.27Å; E362-V364 PolarHBondContact O-N 2.94Å; V364-F366 VanDerWaalsContact C-N 3.29Å; V364-F366 PolarHBondContact O-N 3.19Å; V364-A367 PolarHBondContact O-N 3.28Å; V364-A367 VanDerWaalsContact O-N 3.1Å; V364-M370 HydrophobicContact CG2-CE 4.39Å; V364-L391 HydrophobicContact CG2-CD1 3.9Å; V364-I422 HydrophobicContact CG2-CD1 4.26Å; V364-I422 HydrophobicContact CG2-CG1 4.33Å; V364-L425 HydrophobicContact CG1-CD2 4.13Å; V364-L425 HydrophobicContact CG1-CG 3.99Å; V364-S426 WeakPolarHBondContact O-CB 3.39Å; V364-S426 PolarHBondContact O-OG 3.08Å; V364-S426 VanDerWaalsContact O-OG 3.14Å; V364-L429 HydrophobicContact CG1-CD1 3.54Å |
| 365 | C | 95.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 9.4 Ų | 9.4 | 8% | 0.081 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -50.5 | -50.6 | 175.6 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | C258 R361 E362 A367 S426 | C258-C365 WeakPolarHBondContact CA-SG 3.25Å; C258-C365 HydrophobicContact CB-CB 3.69Å; C258-C365 WeakPolarHBondContact CB-SG 3.26Å; C258-C365 WeakPolarHBondContact SG-CB 3.15Å; C258-C365 CovalentContact SG-SG 2.03Å; C258-C365 PolarHBondContact SG-SG 2.87Å; R361-C365 PolarHBondContact NH1-SG 3.02Å; R361-C365 VanDerWaalsContact NH1-SG 3.45Å; R361-C365 PolarHBondContact O-N 3.49Å; R361-C365 PolarHBondContact O-SG 2.76Å; E362-C365 WeakPolarHBondContact O-CB 3.31Å; E362-C365 PolarHBondContact O-N 3.42Å; C365-A367 VanDerWaalsContact C-N 3.3Å; C365-A367 PolarHBondContact O-N 3.05Å; C365-S426 PolarHBondContact O-OG 3.16Å |
| 366 | F | 97 | Very high | 94.4 | Very high | 42 Ų | 42 | 11.1 Ų | 11.1 | 18% | 0.184 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 12.3 | -175.9 | -49.1 | -52.9 | 0 | 0 | 0 | 113.3 | P259 L343 Q344 E362 V364 V368 | P259-F366 HydrophobicContact CB-CZ 4.11Å; P259-F366 HydrophobicContact CG-CE2 4.27Å; P259-F366 HydrophobicContact CG-CZ 4.23Å; P259-F366 WeakPolarHBondContact O-CZ 3.3Å; L343-F366 HydrophobicContact CB-CB 4.35Å; L343-F366 HydrophobicContact CB-CD2 3.65Å; L343-F366 HydrophobicContact CB-CE2 4.46Å; L343-F366 HydrophobicContact CB-CG 4.38Å; L343-F366 VanDerWaalsContact O-CB 3.27Å; L343-F366 WeakPolarHBondContact O-CB 3.44Å; Q344-F366 HydrophobicContact CB-CD1 4.38Å; Q344-F366 VanDerWaalsContact CD-CE1 3.5Å; Q344-F366 VanDerWaalsContact CD-CZ 3.45Å; Q344-F366 HydrophobicContact CG-CD1 3.29Å; Q344-F366 HydrophobicContact CG-CD2 3.81Å; Q344-F366 HydrophobicContact CG-CE1 3.12Å; Q344-F366 HydrophobicContact CG-CE2 3.64Å; Q344-F366 HydrophobicContact CG-CG 3.64Å; Q344-F366 HydrophobicContact CG-CZ 3.29Å; E362-F366 HydrophobicContact CB-CD2 4.49Å; E362-F366 HydrophobicContact CB-CE2 4.31Å; E362-F366 WeakPolarHBondContact O-CD2 3.47Å; E362-F366 PolarHBondContact O-N 2.87Å; V364-F366 VanDerWaalsContact C-N 3.29Å; V364-F366 PolarHBondContact O-N 3.19Å; F366-V368 VanDerWaalsContact C-N 3.27Å; F366-V368 HydrophobicContact CB-CG2 4.27Å; F366-V368 PolarHBondContact O-N 2.56Å |
| 367 | A | 97.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 11 Ų | 11 | 9% | 0.091 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A363 V364 C365 P369 K419 I422 | A363-A367 CarbonylContact O-C 3.57Å; A363-A367 WeakPolarHBondContact O-CA 3.33Å; A363-A367 PolarHBondContact O-N 2.84Å; V364-A367 PolarHBondContact O-N 3.28Å; V364-A367 VanDerWaalsContact O-N 3.1Å; C365-A367 VanDerWaalsContact C-N 3.3Å; C365-A367 PolarHBondContact O-N 3.05Å; A367-P369 WeakPolarHBondContact O-CD 3.37Å; A367-K419 VanDerWaalsContact O-CD 3.25Å; A367-K419 WeakPolarHBondContact O-CD 3.39Å; A367-K419 WeakPolarHBondContact O-CE 3.3Å; A367-K419 PolarHBondContact O-NZ 3.34Å; A367-I422 HydrophobicContact CB-CG2 4.14Å; A367-I422 WeakPolarHBondContact O-CG2 3.35Å |
| 368 | V | 98.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | trans | -97 | 114.6 | 178.6 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | L343 T348 F351 A363 F366 I422 | L343-V368 HydrophobicContact CB-CG2 4.5Å; L343-V368 HydrophobicContact CD2-CB 4.38Å; L343-V368 HydrophobicContact CD2-CG1 4.34Å; L343-V368 HydrophobicContact CD2-CG2 4.27Å; L343-V368 WeakPolarHBondContact O-CG2 3.33Å; T348-V368 HydrophobicContact CG2-CG1 3.83Å; T348-V368 HydrophobicContact CG2-CG2 4.13Å; F351-V368 HydrophobicContact CB-CB 4.48Å; F351-V368 HydrophobicContact CB-CG1 3.74Å; A363-V368 PolarHBondContact O-N 3.32Å; F366-V368 VanDerWaalsContact C-N 3.27Å; F366-V368 HydrophobicContact CB-CG2 4.27Å; F366-V368 PolarHBondContact O-N 2.56Å; V368-I422 WeakPolarHBondContact O-CD1 3.25Å | ||
| 369 | P | 98.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 10.2 Ų | 10.2 | 4% | 0.039 | 6% | 0.056 | C | C | . | . | trans | -55.3 | 152.5 | 175.2 | -27.2 | 37 | 0 | 0 | 0 | 113 | F351 A367 L391 V412 K419 I422 | F351-P369 PolarHBondContact N-O 2.86Å; A367-P369 WeakPolarHBondContact O-CD 3.37Å; P369-L391 WeakPolarHBondContact CA-O 3.43Å; P369-V412 HydrophobicContact CB-CG1 3.47Å; P369-V412 VanDerWaalsContact CB-CG1 3.47Å; P369-K419 HydrophobicContact CG-CB 4.04Å; P369-K419 HydrophobicContact CG-CD 4.15Å; P369-I422 HydrophobicContact CG-CG2 4.25Å | ||
| 370 | M | 98.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.6 | -170.8 | -71.1 | 173.2 | -78.8 | 0 | 0 | 114.4 | F351 T353 F360 A363 V364 T386 L391 G392 V393 I422 | F351-M370 HydrophobicContact CB-CG 4.4Å; F351-M370 HydrophobicContact CD1-CG 4.18Å; F351-M370 CarbonylContact O-C 3.55Å; F351-M370 VanDerWaalsContact O-CA 3.22Å; F351-M370 WeakPolarHBondContact O-CA 3.32Å; T353-M370 HydrophobicContact CG2-CB 4.45Å; T353-M370 HydrophobicContact CG2-CG 4.15Å; T353-M370 HydrophobicContact CG2-SD 4.06Å; F360-M370 HydrophobicContact CD2-CE 3.59Å; F360-M370 HydrophobicContact CD2-SD 3.7Å; F360-M370 HydrophobicContact CE2-CE 3.58Å; F360-M370 HydrophobicContact CE2-SD 4.29Å; A363-M370 HydrophobicContact CB-CE 4.06Å; A363-M370 HydrophobicContact CB-CG 3.8Å; A363-M370 HydrophobicContact CB-SD 3.46Å; A363-M370 WeakPolarHBondContact CB-SD 3.23Å; V364-M370 HydrophobicContact CG2-CE 4.39Å; M370-T386 HydrophobicContact CB-CG2 4.02Å; M370-T386 HydrophobicContact CE-CG2 4.27Å; M370-L391 HydrophobicContact CE-CB 3.97Å; M370-L391 HydrophobicContact CE-CD1 4.02Å; M370-L391 PolarHBondContact N-O 3.12Å; M370-G392 WeakPolarHBondContact O-CA 3.19Å; M370-V393 PolarHBondContact O-N 2.87Å; M370-I422 HydrophobicContact CE-CD1 4.26Å |
| 371 | L | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 100.9 | 156.3 | 177.5 | 61.1 | 0 | 0 | 0 | 107.5 | L350 F351 I352 T353 I373 V393 L395 F405 I409 | L350-L371 HydrophobicContact CD1-CB 4.2Å; F351-L371 PolarHBondContact O-N 3.16Å; I352-L371 WeakPolarHBondContact CA-O 3.41Å; I352-L371 HydrophobicContact CB-CB 4.44Å; I352-L371 HydrophobicContact CD1-CD2 4.15Å; I352-L371 HydrophobicContact CG1-CB 4.09Å; I352-L371 HydrophobicContact CG1-CD2 4.15Å; I352-L371 HydrophobicContact CG2-CB 4.36Å; I352-L371 HydrophobicContact CG2-CD2 4.19Å; I352-L371 HydrophobicContact CG2-CG 4.32Å; T353-L371 PolarHBondContact N-O 2.83Å; L371-I373 HydrophobicContact CG-CD1 4.47Å; L371-I373 HydrophobicContact CG-CG1 4.44Å; L371-V393 HydrophobicContact CD1-CG2 3.34Å; L371-L395 HydrophobicContact CD1-CD1 3.8Å; L371-L395 HydrophobicContact CD1-CG 3.8Å; L371-L395 HydrophobicContact CD2-CD1 4.23Å; L371-L395 HydrophobicContact CG-CD1 4.37Å; L371-F405 HydrophobicContact CD2-CD2 4.06Å; L371-F405 HydrophobicContact CD2-CE2 3.85Å; L371-I409 HydrophobicContact CD2-CG1 3.73Å |
| 372 | S | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.5 | -173.1 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | T353 S355 T386 V393 S394 L395 | T353-S372 CarbonylContact O-C 3.58Å; T353-S372 VanDerWaalsContact O-CA 3.25Å; T353-S372 WeakPolarHBondContact O-CA 3.45Å; S355-S372 WeakPolarHBondContact OG-CB 3.48Å; S355-S372 PolarHBondContact OG-OG 3.45Å; S372-T386 PolarHBondContact OG-OG1 3.03Å; S372-V393 PolarHBondContact N-O 2.96Å; S372-S394 CarbonylContact O-C 3.55Å; S372-S394 WeakPolarHBondContact O-CA 3.45Å; S372-S394 VanDerWaalsContact O-CB 3.31Å; S372-S394 WeakPolarHBondContact O-CB 3.22Å; S372-L395 PolarHBondContact O-N 2.77Å |
| 373 | I | 95.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.01 | 5% | 0.054 | C | C | . | . | trans | -130.7 | 85.3 | -179.4 | -49.1 | -174.8 | 0 | 0 | 0 | 109.2 | F285 I352 T353 H354 L371 L375 L395 K397 L400 F405 | F285-I373 HydrophobicContact CE1-CB 4.12Å; F285-I373 HydrophobicContact CZ-CB 3.81Å; F285-I373 HydrophobicContact CZ-CD1 4.35Å; F285-I373 HydrophobicContact CZ-CG2 4.13Å; I352-I373 HydrophobicContact CG2-CD1 4.19Å; T353-I373 PolarHBondContact O-N 3.22Å; H354-I373 VanDerWaalsContact CA-O 3.32Å; H354-I373 WeakPolarHBondContact CA-O 3.4Å; L371-I373 HydrophobicContact CG-CD1 4.47Å; L371-I373 HydrophobicContact CG-CG1 4.44Å; I373-L375 PolarHBondContact O-N 3.31Å; I373-L395 HydrophobicContact CD1-CB 4.45Å; I373-L395 HydrophobicContact CD1-CD1 4.35Å; I373-L395 HydrophobicContact CG1-CB 4.2Å; I373-K397 HydrophobicContact CG2-CB 3.85Å; I373-L400 HydrophobicContact CD1-CD1 4.39Å; I373-F405 HydrophobicContact CD1-CD2 3.92Å; I373-F405 HydrophobicContact CD1-CE2 3.69Å | ||
| 374 | P | 93.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 10.1 Ų | 10.1 | 12% | 0.123 | 6% | 0.055 | C | C | . | . | trans | -69.8 | 132.9 | -172.1 | 27.6 | -33.7 | 0 | 0 | 0 | 111.8 | Q379 V380 T383 | P374-Q379 HydrophobicContact CB-CB 3.92Å; P374-V380 HydrophobicContact CB-CB 4.44Å; P374-V380 HydrophobicContact CB-CG2 3.98Å; P374-V380 HydrophobicContact CG-CG2 4.37Å; P374-T383 HydrophobicContact CG-CG2 4.13Å | ||
| 375 | L | 89.3 | Confident | 92.7 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | trans | -84.4 | -51.9 | 174.2 | -56.8 | -179.3 | 0 | 0 | 0 | 110.6 | I94 W95 G99 F285 A289 H354 I373 Q379 K397 | I94-L375 HydrophobicContact CG2-CB 3.72Å; W95-L375 HydrophobicContact CD2-CD2 4.43Å; W95-L375 HydrophobicContact CE3-CD2 3.89Å; W95-L375 HydrophobicContact CH2-CD1 4.48Å; W95-L375 HydrophobicContact CH2-CD2 4.14Å; W95-L375 HydrophobicContact CZ2-CD1 4.39Å; W95-L375 HydrophobicContact CZ3-CD2 3.73Å; G99-L375 WeakPolarHBondContact CA-O 3.34Å; F285-L375 HydrophobicContact CB-CD1 4.33Å; F285-L375 HydrophobicContact CD2-CD1 4.06Å; F285-L375 HydrophobicContact CD2-CD2 4.13Å; F285-L375 HydrophobicContact CD2-CG 4.35Å; F285-L375 HydrophobicContact CE2-CD2 4.03Å; F285-L375 HydrophobicContact CG-CD1 4.43Å; A289-L375 HydrophobicContact CB-CD1 3.5Å; A289-L375 VanDerWaalsContact CB-CD1 3.5Å; H354-L375 HydrophobicContact CB-CG 4.23Å; I373-L375 PolarHBondContact O-N 3.31Å; L375-Q379 VanDerWaalsContact CB-OE1 3.23Å; L375-K397 HydrophobicContact CD2-CD 3.58Å; L375-K397 PolarHBondContact O-NZ 2.87Å | ||
| 376 | F | 84.3 | Confident | 92.7 | Very high | 37 Ų | 37 | 9.6 Ų | 9.6 | 16% | 0.162 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -167 | 167.5 | -178.6 | 65.9 | -79.3 | 0 | 0 | 0 | 113.2 | I86 I94 L288 Q379 | I86-F376 HydrophobicContact CD1-CE1 4.24Å; I86-F376 HydrophobicContact CD1-CZ 3.77Å; I94-F376 HydrophobicContact CB-CD1 4.32Å; I94-F376 HydrophobicContact CD1-CD1 3.78Å; I94-F376 HydrophobicContact CD1-CE1 3.77Å; I94-F376 HydrophobicContact CD1-CG 4.2Å; I94-F376 HydrophobicContact CD1-CZ 4.2Å; I94-F376 HydrophobicContact CG1-CB 4.32Å; I94-F376 HydrophobicContact CG1-CD1 3.84Å; I94-F376 HydrophobicContact CG1-CE1 4.35Å; I94-F376 HydrophobicContact CG1-CG 4.08Å; I94-F376 HydrophobicContact CG2-CD1 3.5Å; I94-F376 VanDerWaalsContact CG2-CD1 3.5Å; I94-F376 HydrophobicContact CG2-CE1 4.08Å; I94-F376 HydrophobicContact CG2-CG 4.36Å; L288-F376 HydrophobicContact CB-CZ 4.3Å; L288-F376 HydrophobicContact CD1-CZ 4.05Å; F376-Q379 VanDerWaalsContact N-OE1 3.12Å; F376-Q379 WeakPolarHBondContact O-CB 3.17Å; F376-Q379 WeakPolarHBondContact O-CG 3.06Å; F376-Q379 PolarHBondContact O-N 2.72Å; F376-Q379 PolarHBondContact O-NE2 2.98Å; F376-Q379 PolarHBondContact O-OE1 3.34Å |
| 377 | G | 80.1 | Confident | 92.6 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 7% | 0.072 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -136.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q379 V380 | G377-Q379 PolarHBondContact O-N 3.32Å; G377-V380 PolarHBondContact O-N 2.82Å |
| 378 | D | 82 | Confident | 92.3 | Very high | 35 Ų | 35 | 14.6 Ų | 14.6 | 19% | 0.187 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.3 | -23.9 | -177.9 | 69 | -43.3 | 0 | 0 | 0 | 113.6 | L163 V380 R381 N382 | L163-D378 HydrophobicContact CD1-CB 3.2Å; L163-D378 HydrophobicContact CG-CB 3.7Å; D378-V380 VanDerWaalsContact C-N 3.27Å; D378-V380 PolarHBondContact O-N 3.44Å; D378-R381 WeakPolarHBondContact O-CA 3.39Å; D378-R381 VanDerWaalsContact O-CB 3.23Å; D378-R381 WeakPolarHBondContact O-CB 3.32Å; D378-R381 PolarHBondContact O-N 2.77Å; D378-N382 VanDerWaalsContact O-CG 3.24Å; D378-N382 PolarHBondContact O-N 3.2Å; D378-N382 PolarHBondContact O-ND2 2.8Å; D378-N382 PolarHBondContact OD2-ND2 3.39Å |
| 379 | Q | 90.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 3% | 0.033 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.2 | -39.3 | 176.7 | -65.1 | 163.9 | 32.6 | 0 | 0 | 113 | H354 P374 L375 F376 G377 R381 N382 T383 | H354-Q379 PolarHBondContact CD2-NE2 3.01Å; H354-Q379 WeakPolarHBondContact O-CB 3.29Å; H354-Q379 WeakPolarHBondContact O-CG 3.45Å; P374-Q379 HydrophobicContact CB-CB 3.92Å; L375-Q379 VanDerWaalsContact CB-OE1 3.23Å; F376-Q379 VanDerWaalsContact N-OE1 3.12Å; F376-Q379 WeakPolarHBondContact O-CB 3.17Å; F376-Q379 WeakPolarHBondContact O-CG 3.06Å; F376-Q379 PolarHBondContact O-N 2.72Å; F376-Q379 PolarHBondContact O-NE2 2.98Å; F376-Q379 PolarHBondContact O-OE1 3.34Å; G377-Q379 PolarHBondContact O-N 3.32Å; Q379-R381 VanDerWaalsContact C-N 3.3Å; Q379-R381 PolarHBondContact O-N 2.67Å; Q379-N382 PolarHBondContact O-N 3.47Å; Q379-T383 VanDerWaalsContact O-CB 3.28Å; Q379-T383 WeakPolarHBondContact O-CB 3.48Å; Q379-T383 PolarHBondContact O-N 3.37Å; Q379-T383 PolarHBondContact O-OG1 3.26Å |
| 380 | V | 88.9 | Confident | 91.9 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | G99 V100 M184 P374 G377 D378 T383 I384 | G99-V380 VanDerWaalsContact C-CG2 3.48Å; V100-V380 HydrophobicContact CG2-CG1 3.94Å; M184-V380 WeakPolarHBondContact O-CG1 3.37Å; P374-V380 HydrophobicContact CB-CB 4.44Å; P374-V380 HydrophobicContact CB-CG2 3.98Å; P374-V380 HydrophobicContact CG-CG2 4.37Å; G377-V380 PolarHBondContact O-N 2.82Å; D378-V380 VanDerWaalsContact C-N 3.27Å; D378-V380 PolarHBondContact O-N 3.44Å; V380-T383 WeakPolarHBondContact O-CB 3.3Å; V380-T383 PolarHBondContact O-N 2.83Å; V380-I384 WeakPolarHBondContact O-CG1 3.34Å; V380-I384 PolarHBondContact O-N 3.25Å; V380-I384 VanDerWaalsContact O-N 3.12Å |
| 381 | R | 89 | Confident | 91.9 | Very high | 18 Ų | 18 | 15.4 Ų | 15.4 | 7% | 0.068 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 179.5 | -163 | -162.8 | 171.3 | -78.5 | 8.4 | 112 | L163 L182 D242 D378 Q379 T383 I384 L385 | L163-R381 HydrophobicContact CD1-CB 4.11Å; L163-R381 HydrophobicContact CD1-CG 4.34Å; L182-R381 HydrophobicContact CD2-CG 3.68Å; L182-R381 HydrophobicContact CG-CG 3.64Å; L182-R381 PolarHBondContact O-NE 2.73Å; D242-R381 IonicContact OD1-CZ 3.47Å; D242-R381 IonicContact OD1-NH1 3Å; D242-R381 PolarHBondContact OD1-NH1 2.9Å; D242-R381 IonicContact OD1-NH2 2.87Å; D242-R381 PolarHBondContact OD1-NH2 2.93Å; D242-R381 IonicContact OD2-CZ 2.5Å; D242-R381 IonicContact OD2-NH1 2.94Å; D242-R381 IonicContact OD2-NH2 3.56Å; D242-R381 PolarHBondContact OD2-NH2 3.08Å; D378-R381 WeakPolarHBondContact O-CA 3.39Å; D378-R381 VanDerWaalsContact O-CB 3.23Å; D378-R381 WeakPolarHBondContact O-CB 3.32Å; D378-R381 PolarHBondContact O-N 2.77Å; Q379-R381 VanDerWaalsContact C-N 3.3Å; Q379-R381 PolarHBondContact O-N 2.67Å; R381-T383 VanDerWaalsContact C-N 3.27Å; R381-T383 PolarHBondContact O-N 3.36Å; R381-I384 WeakPolarHBondContact O-CB 3.32Å; R381-I384 PolarHBondContact O-N 3.5Å; R381-I384 VanDerWaalsContact O-N 3.08Å; R381-L385 PolarHBondContact O-N 2.99Å; R381-L385 VanDerWaalsContact O-N 3.16Å |
| 382 | N | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.3 | -33.7 | 178.8 | -60.8 | -21.3 | 0 | 0 | 0 | 111.6 | M237 S355 I357 F360 D378 Q379 I384 L385 T386 | M237-N382 WeakPolarHBondContact CE-OD1 3.39Å; S355-N382 WeakPolarHBondContact O-CB 3.41Å; S355-N382 PolarHBondContact O-ND2 3.14Å; I357-N382 PolarHBondContact N-ND2 3.27Å; F360-N382 HydrophobicContact CD1-CB 4.45Å; F360-N382 HydrophobicContact CG-CB 4.44Å; D378-N382 VanDerWaalsContact O-CG 3.24Å; D378-N382 PolarHBondContact O-N 3.2Å; D378-N382 PolarHBondContact O-ND2 2.8Å; D378-N382 PolarHBondContact OD2-ND2 3.39Å; Q379-N382 PolarHBondContact O-N 3.47Å; N382-I384 VanDerWaalsContact C-N 3.29Å; N382-I384 PolarHBondContact O-N 3.48Å; N382-L385 WeakPolarHBondContact O-CA 3.3Å; N382-L385 WeakPolarHBondContact O-CB 3.43Å; N382-L385 PolarHBondContact O-N 2.94Å; N382-L385 VanDerWaalsContact O-N 3.1Å; N382-T386 PolarHBondContact O-N 2.63Å; N382-T386 PolarHBondContact O-OG1 3.41Å |
| 383 | T | 94 | Very high | 91.8 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 172 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | P374 Q379 V380 R381 L385 T386 K387 | P374-T383 HydrophobicContact CG-CG2 4.13Å; Q379-T383 VanDerWaalsContact O-CB 3.28Å; Q379-T383 WeakPolarHBondContact O-CB 3.48Å; Q379-T383 PolarHBondContact O-N 3.37Å; Q379-T383 PolarHBondContact O-OG1 3.26Å; V380-T383 WeakPolarHBondContact O-CB 3.3Å; V380-T383 PolarHBondContact O-N 2.83Å; R381-T383 VanDerWaalsContact C-N 3.27Å; R381-T383 PolarHBondContact O-N 3.36Å; T383-L385 VanDerWaalsContact C-N 3.31Å; T383-T386 WeakPolarHBondContact O-CB 3.33Å; T383-T386 PolarHBondContact O-N 3.4Å; T383-K387 PolarHBondContact O-N 2.98Å |
| 384 | I | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 173.3 | -59.2 | 160.8 | 0 | 0 | 0 | 110.4 | L182 M186 V380 R381 N382 K387 F388 | L182-I384 HydrophobicContact CD1-CB 4.24Å; L182-I384 HydrophobicContact CD1-CD1 3.66Å; L182-I384 HydrophobicContact CD1-CG2 3.87Å; L182-I384 HydrophobicContact CD2-CB 4.41Å; L182-I384 HydrophobicContact CD2-CG2 4.37Å; M186-I384 HydrophobicContact CB-CD1 3.82Å; M186-I384 VanDerWaalsContact O-CD1 3.25Å; M186-I384 WeakPolarHBondContact O-CD1 3.24Å; V380-I384 WeakPolarHBondContact O-CG1 3.34Å; V380-I384 PolarHBondContact O-N 3.25Å; V380-I384 VanDerWaalsContact O-N 3.12Å; R381-I384 WeakPolarHBondContact O-CB 3.32Å; R381-I384 PolarHBondContact O-N 3.5Å; R381-I384 VanDerWaalsContact O-N 3.08Å; N382-I384 VanDerWaalsContact C-N 3.29Å; N382-I384 PolarHBondContact O-N 3.48Å; I384-K387 PolarHBondContact O-N 3.22Å; I384-F388 VanDerWaalsContact O-CB 3.23Å; I384-F388 WeakPolarHBondContact O-CB 3.43Å; I384-F388 PolarHBondContact O-N 3.45Å |
| 385 | L | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 173.8 | -63.8 | 178.7 | 0 | 0 | 0 | 112.3 | L182 M237 I243 F360 R381 N382 T383 K387 F388 H389 | L182-L385 HydrophobicContact CD2-CD2 3.81Å; L182-L385 HydrophobicContact CD2-CG 4.16Å; M237-L385 HydrophobicContact CE-CD1 4.16Å; M237-L385 HydrophobicContact SD-CD1 3.64Å; I243-L385 HydrophobicContact CD1-CD2 3.91Å; I243-L385 HydrophobicContact CG1-CD2 4.06Å; F360-L385 HydrophobicContact CE1-CB 4.15Å; F360-L385 HydrophobicContact CE1-CD1 4.02Å; F360-L385 HydrophobicContact CE2-CB 4.48Å; F360-L385 HydrophobicContact CZ-CB 3.67Å; F360-L385 HydrophobicContact CZ-CD1 4.39Å; R381-L385 PolarHBondContact O-N 2.99Å; R381-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact O-CA 3.3Å; N382-L385 WeakPolarHBondContact O-CB 3.43Å; N382-L385 PolarHBondContact O-N 2.94Å; N382-L385 VanDerWaalsContact O-N 3.1Å; T383-L385 VanDerWaalsContact C-N 3.31Å; L385-K387 VanDerWaalsContact C-N 3.3Å; L385-K387 PolarHBondContact O-N 2.95Å; L385-F388 PolarHBondContact O-N 3.11Å; L385-H389 PolarHBondContact O-CD2 3.11Å; L385-H389 PolarHBondContact O-N 3.16Å |
| 386 | T | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -52.6 | -48.8 | 171.3 | -60 | 0 | 0 | 0 | 0 | 110.9 | F360 M370 S372 N382 T383 G390 L391 | F360-T386 WeakPolarHBondContact CE2-OG1 3.49Å; M370-T386 HydrophobicContact CB-CG2 4.02Å; M370-T386 HydrophobicContact CE-CG2 4.27Å; S372-T386 PolarHBondContact OG-OG1 3.03Å; N382-T386 PolarHBondContact O-N 2.63Å; N382-T386 PolarHBondContact O-OG1 3.41Å; T383-T386 WeakPolarHBondContact O-CB 3.33Å; T383-T386 PolarHBondContact O-N 3.4Å; T386-G390 PolarHBondContact O-N 3.05Å; T386-L391 HydrophobicContact CG2-CB 4.2Å; T386-L391 PolarHBondContact O-N 3.33Å |
| 387 | K | 94.1 | Very high | 92.4 | Very high | 90 Ų | 90 | 18.3 Ų | 18.3 | 39% | 0.391 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -69.8 | -43.7 | 178.6 | -78.2 | 179.6 | 162.3 | 170 | 0 | 112.5 | T383 I384 L385 H389 G390 S394 | T383-K387 PolarHBondContact O-N 2.98Å; I384-K387 PolarHBondContact O-N 3.22Å; L385-K387 VanDerWaalsContact C-N 3.3Å; L385-K387 PolarHBondContact O-N 2.95Å; K387-H389 PolarHBondContact O-N 3.19Å; K387-G390 PolarHBondContact O-N 2.96Å; K387-S394 WeakPolarHBondContact CE-OG 3.27Å; K387-S394 PolarHBondContact NZ-OG 2.97Å |
| 388 | F | 92 | Very high | 92.9 | Very high | 69 Ų | 69 | 20.6 Ų | 20.6 | 30% | 0.303 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -60.8 | -43.7 | -176.4 | 171.8 | -100.7 | 0 | 0 | 0 | 112.3 | Y189 I243 I384 L385 G390 K715 | Y189-F388 AromaticContact CD1-CD2 3.84Å; Y189-F388 HydrophobicContact CD1-CD2 3.84Å; Y189-F388 AromaticContact CD1-CE2 3.89Å; Y189-F388 HydrophobicContact CD1-CE2 3.89Å; Y189-F388 HydrophobicContact CE1-CE2 4.2Å; I243-F388 HydrophobicContact CD1-CD1 3.69Å; I243-F388 HydrophobicContact CD1-CD2 4.16Å; I243-F388 HydrophobicContact CD1-CE1 3.51Å; I243-F388 HydrophobicContact CD1-CE2 4Å; I243-F388 HydrophobicContact CD1-CG 4.01Å; I243-F388 HydrophobicContact CD1-CZ 3.67Å; I384-F388 VanDerWaalsContact O-CB 3.23Å; I384-F388 WeakPolarHBondContact O-CB 3.43Å; I384-F388 PolarHBondContact O-N 3.45Å; L385-F388 PolarHBondContact O-N 3.11Å; F388-G390 VanDerWaalsContact C-N 3.27Å; F388-K715 VanDerWaalsContact CZ-CE 3.45Å |
| 389 | H | 93.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 5% | 0.051 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.5 | 175 | -66 | -69.1 | 0 | 0 | 0 | 113.1 | M240 L241 L385 K387 L391 L425 H711 | M240-H389 PolarHBondContact O-CE1 2.79Å; L241-H389 PolarHBondContact O-NE2 2.73Å; L385-H389 PolarHBondContact O-CD2 3.11Å; L385-H389 PolarHBondContact O-N 3.16Å; K387-H389 PolarHBondContact O-N 3.19Å; H389-L391 HydrophobicContact CB-CD1 3.94Å; H389-L391 HydrophobicContact CB-CD2 3.79Å; H389-L391 HydrophobicContact CB-CG 3.63Å; H389-L425 HydrophobicContact CB-CD2 4.16Å; H389-H711 AromaticContact CE1-ND1 3.71Å; H389-H711 AromaticContact ND1-CE1 3.6Å; H389-H711 AromaticContact ND1-ND1 3.24Å; H389-H711 PolarHBondContact ND1-ND1 2.89Å |
| 390 | G | 95.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 12% | 0.124 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 46.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | T386 K387 F388 Y418 R421 | T386-G390 PolarHBondContact O-N 3.05Å; K387-G390 PolarHBondContact O-N 2.96Å; F388-G390 VanDerWaalsContact C-N 3.27Å; G390-Y418 WeakPolarHBondContact O-CD1 3.37Å; G390-R421 PolarHBondContact O-NE 3.4Å; G390-R421 PolarHBondContact O-NH2 2.9Å |
| 391 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -95.1 | -6.2 | -179.5 | -46.7 | -180 | 0 | 0 | 0 | 112.7 | F360 V364 P369 M370 T386 H389 I422 L425 | F360-L391 HydrophobicContact CE2-CD1 4.23Å; F360-L391 HydrophobicContact CZ-CD1 4.4Å; V364-L391 HydrophobicContact CG2-CD1 3.9Å; P369-L391 WeakPolarHBondContact CA-O 3.43Å; M370-L391 HydrophobicContact CE-CB 3.97Å; M370-L391 HydrophobicContact CE-CD1 4.02Å; M370-L391 PolarHBondContact N-O 3.12Å; T386-L391 HydrophobicContact CG2-CB 4.2Å; T386-L391 PolarHBondContact O-N 3.33Å; H389-L391 HydrophobicContact CB-CD1 3.94Å; H389-L391 HydrophobicContact CB-CD2 3.79Å; H389-L391 HydrophobicContact CB-CG 3.63Å; L391-I422 HydrophobicContact CB-CD1 4.33Å; L391-I422 HydrophobicContact CD1-CG1 4.48Å; L391-I422 HydrophobicContact CD2-CB 3.8Å; L391-I422 HydrophobicContact CD2-CG1 3.99Å; L391-L425 HydrophobicContact CD1-CD2 3.81Å; L391-L425 HydrophobicContact CD2-CD2 3.92Å; L391-L425 HydrophobicContact CG-CD2 4.45Å |
| 392 | G | 97.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | -165.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M370 Y418 | M370-G392 WeakPolarHBondContact O-CA 3.19Å; G392-Y418 VanDerWaalsContact CA-CD1 3.48Å; G392-Y418 WeakPolarHBondContact O-CE1 3.32Å |
| 393 | V | 97.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 168.6 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | M370 L371 S372 S411 V412 Y418 | M370-V393 PolarHBondContact O-N 2.87Å; L371-V393 HydrophobicContact CD1-CG2 3.34Å; S372-V393 PolarHBondContact N-O 2.96Å; V393-S411 WeakPolarHBondContact CG1-OG 3.37Å; V393-V412 HydrophobicContact CB-CG2 4.31Å; V393-V412 HydrophobicContact CG1-CG2 4.09Å; V393-V412 HydrophobicContact CG2-CG2 3.65Å; V393-Y418 HydrophobicContact CG1-CE2 4.26Å; V393-Y418 VanDerWaalsContact CG1-OH 3.27Å; V393-Y418 WeakPolarHBondContact CG1-OH 3.4Å |
| 394 | S | 95.4 | Very high | 95 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.4 | 173.4 | 90.3 | 0 | 0 | 0 | 0 | 112.4 | S372 K387 | S372-S394 CarbonylContact O-C 3.55Å; S372-S394 WeakPolarHBondContact O-CA 3.45Å; S372-S394 VanDerWaalsContact O-CB 3.31Å; S372-S394 WeakPolarHBondContact O-CB 3.22Å; K387-S394 WeakPolarHBondContact CE-OG 3.27Å; K387-S394 PolarHBondContact NZ-OG 2.97Å |
| 395 | L | 95.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | trans | -117.7 | 155.4 | 176.5 | -57.7 | 177.5 | 0 | 0 | 0 | 110.7 | L371 S372 I373 L400 F405 | L371-L395 HydrophobicContact CD1-CD1 3.8Å; L371-L395 HydrophobicContact CD1-CG 3.8Å; L371-L395 HydrophobicContact CD2-CD1 4.23Å; L371-L395 HydrophobicContact CG-CD1 4.37Å; S372-L395 PolarHBondContact O-N 2.77Å; I373-L395 HydrophobicContact CD1-CB 4.45Å; I373-L395 HydrophobicContact CD1-CD1 4.35Å; I373-L395 HydrophobicContact CG1-CB 4.2Å; L395-L400 HydrophobicContact CB-CD1 4.08Å; L395-L400 HydrophobicContact CD1-CD1 3.68Å; L395-F405 HydrophobicContact CD1-CD2 4.12Å | ||
| 396 | D | 91.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 42 Ų | 42 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | trans | -99.8 | 114.5 | 173.5 | 176.1 | -2.6 | 0 | 0 | 0 | 108.3 | R98 T398 R399 L400 | R98-D396 IonicContact CZ-OD2 3.2Å; R98-D396 IonicContact NE-OD2 2.56Å; R98-D396 PolarHBondContact NE-OD2 2.83Å; R98-D396 IonicContact NH2-OD2 3.69Å; D396-T398 PolarHBondContact O-N 2.94Å; D396-T398 VanDerWaalsContact O-N 3.11Å; D396-T398 PolarHBondContact OD1-N 2.81Å; D396-T398 PolarHBondContact OD1-OG1 3.12Å; D396-T398 PolarHBondContact OD2-OG1 2.79Å; D396-R399 CarbonylContact O-C 3.59Å; D396-R399 PolarHBondContact O-N 3.08Å; D396-R399 IonicContact OD2-CZ 2.77Å; D396-R399 IonicContact OD2-NE 3.42Å; D396-R399 PolarHBondContact OD2-NE 3.2Å; D396-R399 IonicContact OD2-NH2 3.63Å; D396-R399 PolarHBondContact OD2-NH2 3.4Å; D396-L400 PolarHBondContact O-N 3.31Å | ||
| 397 | K | 92.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57.5 | -27.6 | -177.9 | 69.8 | -173.5 | -168.3 | -78.7 | 0 | 113.9 | I94 W95 R97 I298 I373 L375 R399 L400 | I94-K397 WeakPolarHBondContact O-CE 3.17Å; I94-K397 PolarHBondContact O-NZ 3.25Å; W95-K397 WeakPolarHBondContact O-CE 3.5Å; R97-K397 VanDerWaalsContact O-CE 3.29Å; R97-K397 WeakPolarHBondContact O-CE 3.34Å; R97-K397 PolarHBondContact O-NZ 2.7Å; I298-K397 VanDerWaalsContact CD1-O 3.26Å; I298-K397 WeakPolarHBondContact CD1-O 3.22Å; I373-K397 HydrophobicContact CG2-CB 3.85Å; L375-K397 HydrophobicContact CD2-CD 3.58Å; L375-K397 PolarHBondContact O-NZ 2.87Å; K397-R399 PolarHBondContact O-N 3.48Å; K397-L400 WeakPolarHBondContact O-CB 3.46Å; K397-L400 PolarHBondContact O-N 2.79Å |
| 398 | T | 90.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -74.2 | -12.9 | 179.4 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | R97 R98 D396 | R97-T398 VanDerWaalsContact C-CG2 3.46Å; R98-T398 HydrophobicContact CG-CG2 3.95Å; D396-T398 PolarHBondContact O-N 2.94Å; D396-T398 VanDerWaalsContact O-N 3.11Å; D396-T398 PolarHBondContact OD1-N 2.81Å; D396-T398 PolarHBondContact OD1-OG1 3.12Å; D396-T398 PolarHBondContact OD2-OG1 2.79Å |
| 399 | R | 92.4 | Very high | 96.2 | Very high | 146 Ų | 146 | 40.5 Ų | 40.5 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -120.3 | 17.2 | 177.3 | -65.9 | -178.6 | -75.1 | 166.2 | -1.1 | 111.3 | D396 K397 T401 | D396-R399 CarbonylContact O-C 3.59Å; D396-R399 PolarHBondContact O-N 3.08Å; D396-R399 IonicContact OD2-CZ 2.77Å; D396-R399 IonicContact OD2-NE 3.42Å; D396-R399 PolarHBondContact OD2-NE 3.2Å; D396-R399 IonicContact OD2-NH2 3.63Å; D396-R399 PolarHBondContact OD2-NH2 3.4Å; K397-R399 PolarHBondContact O-N 3.48Å; R399-T401 PolarHBondContact O-N 3.41Å |
| 400 | L | 95.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | trans | -74.8 | 128.6 | -178 | -159.2 | 77 | 0 | 0 | 0 | 109.7 | I298 I302 I373 L395 D396 K397 F405 | I298-L400 HydrophobicContact CG2-CD2 4.04Å; I302-L400 HydrophobicContact CD1-CD2 3.95Å; I302-L400 HydrophobicContact CG1-CD2 3.81Å; I373-L400 HydrophobicContact CD1-CD1 4.39Å; L395-L400 HydrophobicContact CB-CD1 4.08Å; L395-L400 HydrophobicContact CD1-CD1 3.68Å; D396-L400 PolarHBondContact O-N 3.31Å; K397-L400 WeakPolarHBondContact O-CB 3.46Å; K397-L400 PolarHBondContact O-N 2.79Å; L400-F405 HydrophobicContact CD1-CB 3.99Å; L400-F405 HydrophobicContact CD1-CD2 3.99Å; L400-F405 HydrophobicContact CD1-CG 4.43Å; L400-F405 HydrophobicContact CD2-CD2 4.2Å; L400-F405 HydrophobicContact CG-CB 4.21Å | ||
| 401 | T | 97.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 43 Ų | 43 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | trans | -131.8 | 165 | 174 | 63.8 | 0 | 0 | 0 | 0 | 107.8 | R399 E403 T404 F405 | R399-T401 PolarHBondContact O-N 3.41Å; T401-E403 VanDerWaalsContact C-N 3.26Å; T401-E403 PolarHBondContact O-N 2.83Å; T401-T404 PolarHBondContact N-OG1 3.43Å; T401-T404 PolarHBondContact O-N 3.26Å; T401-T404 PolarHBondContact O-OG1 3.3Å; T401-T404 WeakPolarHBondContact OG1-CG2 3.14Å; T401-T404 PolarHBondContact OG1-N 3.49Å; T401-T404 VanDerWaalsContact OG1-N 3.13Å; T401-T404 PolarHBondContact OG1-OG1 2.87Å; T401-F405 WeakPolarHBondContact O-CB 3.48Å; T401-F405 PolarHBondContact O-N 2.87Å | ||
| 402 | E | 98.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51.8 | -49.5 | 174.2 | 178.2 | -177.9 | 173.4 | 0 | 0 | 110.8 | A301 A304 A305 Q308 F405 Y406 | A301-E402 HydrophobicContact CB-CB 4.43Å; A301-E402 WeakPolarHBondContact O-CA 3.46Å; A304-E402 VanDerWaalsContact CB-CD 3.4Å; A304-E402 HydrophobicContact CB-CG 3.88Å; A305-E402 HydrophobicContact CB-CG 4.1Å; Q308-E402 PolarHBondContact NE2-OE1 2.58Å; E402-F405 PolarHBondContact O-N 3.4Å; E402-Y406 VanDerWaalsContact O-CB 3.22Å; E402-Y406 WeakPolarHBondContact O-CB 3.35Å; E402-Y406 PolarHBondContact O-N 2.76Å |
| 403 | E | 98.3 | Very high | 96.7 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -47.4 | -179.6 | -172.4 | -167.9 | 165.6 | 0 | 0 | 112.7 | T401 K407 | T401-E403 VanDerWaalsContact C-N 3.26Å; T401-E403 PolarHBondContact O-N 2.83Å; E403-K407 HydrophobicContact CG-CD 4.04Å; E403-K407 VanDerWaalsContact O-CB 3.28Å; E403-K407 WeakPolarHBondContact O-CB 3.38Å; E403-K407 VanDerWaalsContact O-CG 3.29Å; E403-K407 WeakPolarHBondContact O-CG 3.33Å; E403-K407 PolarHBondContact O-N 3.14Å; E403-K407 VanDerWaalsContact OE1-CE 3.29Å; E403-K407 WeakPolarHBondContact OE1-CE 3.39Å; E403-K407 IonicContact OE1-NZ 3.36Å; E403-K407 PolarHBondContact OE1-NZ 3.08Å |
| 404 | T | 98.2 | Very high | 96.7 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.7 | -35.4 | -177.1 | 53 | 0 | 0 | 0 | 0 | 111.8 | T401 G408 | T401-T404 PolarHBondContact N-OG1 3.43Å; T401-T404 PolarHBondContact O-N 3.26Å; T401-T404 PolarHBondContact O-OG1 3.3Å; T401-T404 WeakPolarHBondContact OG1-CG2 3.14Å; T401-T404 PolarHBondContact OG1-N 3.49Å; T401-T404 VanDerWaalsContact OG1-N 3.13Å; T401-T404 PolarHBondContact OG1-OG1 2.87Å; T404-G408 PolarHBondContact O-N 2.88Å |
| 405 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.1 | -48.1 | 174.8 | -172.8 | -110.6 | 0 | 0 | 0 | 111.5 | F283 I302 A305 F306 I352 L371 I373 L395 L400 T401 E402 K407 G408 I409 | F283-F405 HydrophobicContact CD1-CZ 4.12Å; F283-F405 HydrophobicContact CE1-CE2 4.14Å; F283-F405 AromaticContact CE1-CZ 3.66Å; F283-F405 HydrophobicContact CE1-CZ 3.66Å; I302-F405 HydrophobicContact CB-CD1 4.48Å; I302-F405 HydrophobicContact CB-CE1 4.17Å; I302-F405 HydrophobicContact CG1-CD1 4.24Å; I302-F405 HydrophobicContact CG1-CD2 4.45Å; I302-F405 HydrophobicContact CG1-CE1 4.09Å; I302-F405 HydrophobicContact CG1-CE2 4.31Å; I302-F405 HydrophobicContact CG1-CG 4.4Å; I302-F405 HydrophobicContact CG1-CZ 4.12Å; I302-F405 HydrophobicContact CG2-CE1 3.81Å; I302-F405 HydrophobicContact CG2-CZ 4.02Å; A305-F405 HydrophobicContact CB-CD1 3.65Å; A305-F405 HydrophobicContact CB-CE1 4.42Å; F306-F405 AromaticContact CD1-CE1 3.98Å; F306-F405 HydrophobicContact CD1-CE1 3.98Å; F306-F405 AromaticContact CE1-CE1 3.59Å; F306-F405 HydrophobicContact CE1-CE1 3.59Å; F306-F405 AromaticContact CE1-CZ 3.96Å; F306-F405 HydrophobicContact CE1-CZ 3.96Å; F306-F405 AromaticContact CZ-CE1 3.96Å; F306-F405 HydrophobicContact CZ-CE1 3.96Å; F306-F405 AromaticContact CZ-CZ 4Å; F306-F405 HydrophobicContact CZ-CZ 4Å; I352-F405 HydrophobicContact CD1-CE1 4.41Å; I352-F405 HydrophobicContact CD1-CE2 4.14Å; I352-F405 HydrophobicContact CD1-CZ 3.59Å; I352-F405 HydrophobicContact CG2-CE2 4Å; I352-F405 HydrophobicContact CG2-CZ 4.25Å; L371-F405 HydrophobicContact CD2-CD2 4.06Å; L371-F405 HydrophobicContact CD2-CE2 3.85Å; I373-F405 HydrophobicContact CD1-CD2 3.92Å; I373-F405 HydrophobicContact CD1-CE2 3.69Å; L395-F405 HydrophobicContact CD1-CD2 4.12Å; L400-F405 HydrophobicContact CD1-CB 3.99Å; L400-F405 HydrophobicContact CD1-CD2 3.99Å; L400-F405 HydrophobicContact CD1-CG 4.43Å; L400-F405 HydrophobicContact CD2-CD2 4.2Å; L400-F405 HydrophobicContact CG-CB 4.21Å; T401-F405 WeakPolarHBondContact O-CB 3.48Å; T401-F405 PolarHBondContact O-N 2.87Å; E402-F405 PolarHBondContact O-N 3.4Å; F405-K407 PolarHBondContact O-N 3.26Å; F405-G408 WeakPolarHBondContact O-CA 3.35Å; F405-G408 PolarHBondContact O-N 3.36Å; F405-G408 VanDerWaalsContact O-N 3.13Å; F405-I409 HydrophobicContact CD1-CD1 3.88Å; F405-I409 HydrophobicContact CE1-CD1 3.59Å; F405-I409 HydrophobicContact CZ-CD1 4.06Å; F405-I409 WeakPolarHBondContact O-CG1 3.45Å; F405-I409 PolarHBondContact O-N 3.49Å |
| 406 | Y | 98.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -49.6 | 176 | 179.1 | -103.4 | 0 | 0 | 0 | 112.1 | Q308 L309 E402 G408 I409 L410 | Q308-Y406 HydrophobicContact CB-CD2 3.85Å; Q308-Y406 HydrophobicContact CB-CE2 3.5Å; Q308-Y406 VanDerWaalsContact CB-CE2 3.5Å; L309-Y406 HydrophobicContact CD2-CD2 4.33Å; L309-Y406 HydrophobicContact CD2-CE2 3.69Å; L309-Y406 HydrophobicContact CG-CD2 4.24Å; L309-Y406 HydrophobicContact CG-CE2 3.93Å; E402-Y406 VanDerWaalsContact O-CB 3.22Å; E402-Y406 WeakPolarHBondContact O-CB 3.35Å; E402-Y406 PolarHBondContact O-N 2.76Å; Y406-G408 VanDerWaalsContact C-N 3.29Å; Y406-G408 PolarHBondContact O-N 3.43Å; Y406-I409 WeakPolarHBondContact O-CB 3.3Å; Y406-I409 PolarHBondContact O-N 2.82Å; Y406-L410 HydrophobicContact CD1-CD1 4.04Å; Y406-L410 HydrophobicContact CD1-CG 4.46Å; Y406-L410 HydrophobicContact CE1-CD1 3.34Å; Y406-L410 HydrophobicContact CE1-CG 4.09Å; Y406-L410 HydrophobicContact CE2-CD1 4.37Å; Y406-L410 HydrophobicContact CE2-CG 4.43Å; Y406-L410 PolarHBondContact O-N 2.81Å |
| 407 | K | 98.5 | Very high | 97.2 | Very high | 121 Ų | 121 | 53 Ų | 53 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 174.8 | -74.6 | 179.7 | 175.5 | 178.5 | 0 | 111.9 | E403 F405 L410 S411 | E403-K407 HydrophobicContact CG-CD 4.04Å; E403-K407 VanDerWaalsContact O-CB 3.28Å; E403-K407 WeakPolarHBondContact O-CB 3.38Å; E403-K407 VanDerWaalsContact O-CG 3.29Å; E403-K407 WeakPolarHBondContact O-CG 3.33Å; E403-K407 PolarHBondContact O-N 3.14Å; E403-K407 VanDerWaalsContact OE1-CE 3.29Å; E403-K407 WeakPolarHBondContact OE1-CE 3.39Å; E403-K407 IonicContact OE1-NZ 3.36Å; E403-K407 PolarHBondContact OE1-NZ 3.08Å; F405-K407 PolarHBondContact O-N 3.26Å; K407-L410 PolarHBondContact O-N 3.27Å; K407-S411 VanDerWaalsContact O-CB 3.3Å; K407-S411 WeakPolarHBondContact O-CB 3.3Å; K407-S411 PolarHBondContact O-N 2.87Å |
| 408 | G | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T404 F405 Y406 S411 V412 | T404-G408 PolarHBondContact O-N 2.88Å; F405-G408 WeakPolarHBondContact O-CA 3.35Å; F405-G408 PolarHBondContact O-N 3.36Å; F405-G408 VanDerWaalsContact O-N 3.13Å; Y406-G408 VanDerWaalsContact C-N 3.29Å; Y406-G408 PolarHBondContact O-N 3.43Å; G408-S411 PolarHBondContact O-N 3.46Å; G408-S411 PolarHBondContact O-OG 3.12Å; G408-V412 PolarHBondContact O-N 3.44Å |
| 409 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -54.3 | 175.7 | -69.2 | 167.6 | 0 | 0 | 0 | 110.7 | I281 F306 L309 L350 I352 L371 F405 Y406 S411 V412 L413 | I281-I409 HydrophobicContact CD1-CG2 4.03Å; F306-I409 HydrophobicContact CD1-CD1 4.04Å; F306-I409 HydrophobicContact CE1-CD1 3.7Å; L309-I409 HydrophobicContact CD1-CB 4.47Å; L309-I409 HydrophobicContact CD1-CD1 3.85Å; L309-I409 HydrophobicContact CD1-CG2 3.76Å; L350-I409 HydrophobicContact CD2-CB 4.19Å; L350-I409 HydrophobicContact CD2-CG1 4.11Å; L350-I409 HydrophobicContact CD2-CG2 3.75Å; I352-I409 HydrophobicContact CD1-CD1 4Å; I352-I409 HydrophobicContact CD1-CG1 4.01Å; L371-I409 HydrophobicContact CD2-CG1 3.73Å; F405-I409 HydrophobicContact CD1-CD1 3.88Å; F405-I409 HydrophobicContact CE1-CD1 3.59Å; F405-I409 HydrophobicContact CZ-CD1 4.06Å; F405-I409 WeakPolarHBondContact O-CG1 3.45Å; F405-I409 PolarHBondContact O-N 3.49Å; Y406-I409 WeakPolarHBondContact O-CB 3.3Å; Y406-I409 PolarHBondContact O-N 2.82Å; I409-S411 VanDerWaalsContact C-N 3.28Å; I409-S411 PolarHBondContact O-N 3.16Å; I409-V412 PolarHBondContact O-N 2.75Å; I409-V412 VanDerWaalsContact O-N 3.16Å; I409-L413 HydrophobicContact CG2-CD1 3.49Å; I409-L413 VanDerWaalsContact CG2-CD1 3.49Å; I409-L413 HydrophobicContact CG2-CG 4.18Å; I409-L413 WeakPolarHBondContact O-CG 3.27Å; I409-L413 PolarHBondContact O-N 3.15Å |
| 410 | L | 98.5 | Very high | 98.1 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -36.6 | -178 | -67.8 | -170.2 | 0 | 0 | 0 | 112.6 | L309 Y406 K407 V412 L413 H414 | L309-L410 HydrophobicContact CD2-CD2 4.05Å; Y406-L410 HydrophobicContact CD1-CD1 4.04Å; Y406-L410 HydrophobicContact CD1-CG 4.46Å; Y406-L410 HydrophobicContact CE1-CD1 3.34Å; Y406-L410 HydrophobicContact CE1-CG 4.09Å; Y406-L410 HydrophobicContact CE2-CD1 4.37Å; Y406-L410 HydrophobicContact CE2-CG 4.43Å; Y406-L410 PolarHBondContact O-N 2.81Å; K407-L410 PolarHBondContact O-N 3.27Å; L410-V412 PolarHBondContact O-N 3.41Å; L410-L413 PolarHBondContact O-N 2.87Å; L410-H414 VanDerWaalsContact O-CB 3.28Å; L410-H414 WeakPolarHBondContact O-CB 2.96Å; L410-H414 VanDerWaalsContact O-CG 3.29Å; L410-H414 PolarHBondContact O-N 2.79Å |
| 411 | S | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -32.1 | 179.5 | 76.4 | 0 | 0 | 0 | 0 | 113 | V393 K407 G408 I409 N415 Y418 | V393-S411 WeakPolarHBondContact CG1-OG 3.37Å; K407-S411 VanDerWaalsContact O-CB 3.3Å; K407-S411 WeakPolarHBondContact O-CB 3.3Å; K407-S411 PolarHBondContact O-N 2.87Å; G408-S411 PolarHBondContact O-N 3.46Å; G408-S411 PolarHBondContact O-OG 3.12Å; I409-S411 VanDerWaalsContact C-N 3.28Å; I409-S411 PolarHBondContact O-N 3.16Å; S411-N415 WeakPolarHBondContact O-CB 3.28Å; S411-Y418 WeakPolarHBondContact O-CE2 3.45Å |
| 412 | V | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -82.8 | -46 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L350 P369 V393 G408 I409 L410 H414 N415 Y418 | L350-V412 HydrophobicContact CD1-CB 3.92Å; L350-V412 HydrophobicContact CD1-CG1 3.64Å; L350-V412 HydrophobicContact CD1-CG2 4.38Å; P369-V412 HydrophobicContact CB-CG1 3.47Å; P369-V412 VanDerWaalsContact CB-CG1 3.47Å; V393-V412 HydrophobicContact CB-CG2 4.31Å; V393-V412 HydrophobicContact CG1-CG2 4.09Å; V393-V412 HydrophobicContact CG2-CG2 3.65Å; G408-V412 PolarHBondContact O-N 3.44Å; I409-V412 PolarHBondContact O-N 2.75Å; I409-V412 VanDerWaalsContact O-N 3.16Å; L410-V412 PolarHBondContact O-N 3.41Å; V412-H414 VanDerWaalsContact C-N 3.35Å; V412-H414 PolarHBondContact O-N 3.06Å; V412-N415 PolarHBondContact O-N 3.49Å; V412-Y418 HydrophobicContact CB-CD2 4.39Å; V412-Y418 HydrophobicContact CG1-CD2 4.11Å; V412-Y418 HydrophobicContact CG1-CG 4.48Å |
| 413 | L | 98.2 | Very high | 98.1 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | -178.4 | -68.2 | 176.8 | 0 | 0 | 0 | 113 | I281 Y312 V349 L350 I409 L410 | I281-L413 HydrophobicContact CD1-CD1 4.2Å; Y312-L413 HydrophobicContact CD2-CD1 4.41Å; Y312-L413 HydrophobicContact CE1-CD1 4.25Å; Y312-L413 HydrophobicContact CE1-CD2 4.49Å; Y312-L413 HydrophobicContact CE2-CD1 3.81Å; V349-L413 HydrophobicContact CB-CD2 4.11Å; V349-L413 HydrophobicContact CG2-CD2 3.7Å; L350-L413 HydrophobicContact CB-CD2 3.88Å; L350-L413 HydrophobicContact CD2-CD2 4.42Å; L350-L413 HydrophobicContact CD2-CG 4.33Å; I409-L413 HydrophobicContact CG2-CD1 3.49Å; I409-L413 VanDerWaalsContact CG2-CD1 3.49Å; I409-L413 HydrophobicContact CG2-CG 4.18Å; I409-L413 WeakPolarHBondContact O-CG 3.27Å; I409-L413 PolarHBondContact O-N 3.15Å; L410-L413 PolarHBondContact O-N 2.87Å |
| 414 | H | 97.8 | Very high | 98 | Very high | 137 Ų | 137 | 55 Ų | 55 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -12 | -178.4 | -63.9 | 170.5 | 0 | 0 | 0 | 113.6 | L410 V412 | L410-H414 VanDerWaalsContact O-CB 3.28Å; L410-H414 WeakPolarHBondContact O-CB 2.96Å; L410-H414 VanDerWaalsContact O-CG 3.29Å; L410-H414 PolarHBondContact O-N 2.79Å; V412-H414 VanDerWaalsContact C-N 3.35Å; V412-H414 PolarHBondContact O-N 3.06Å |
| 415 | N | 98.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | trans | -108.4 | 92.3 | -178.9 | -174.2 | -18.7 | 0 | 0 | 0 | 110.9 | S411 V412 G417 Y418 | S411-N415 WeakPolarHBondContact O-CB 3.28Å; V412-N415 PolarHBondContact O-N 3.49Å; N415-G417 PolarHBondContact O-N 3.3Å; N415-G417 WeakPolarHBondContact OD1-CA 3.49Å; N415-G417 PolarHBondContact OD1-N 3.42Å; N415-Y418 HydrophobicContact CB-CD2 3.66Å; N415-Y418 HydrophobicContact CB-CE2 3.68Å; N415-Y418 WeakPolarHBondContact O-CD2 3.5Å; N415-Y418 PolarHBondContact O-N 2.71Å; N415-Y418 VanDerWaalsContact O-N 3.14Å | ||
| 416 | S | 97.2 | Very high | 97.7 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 54% | 0.538 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -18.4 | 177.2 | 63 | 0 | 0 | 0 | 0 | 113.7 | Y418 K419 Q420 | S416-Y418 PolarHBondContact O-N 3.46Å; S416-K419 PolarHBondContact O-N 3.31Å; S416-K419 VanDerWaalsContact O-N 3.13Å; S416-Q420 WeakPolarHBondContact O-CG 3.22Å; S416-Q420 PolarHBondContact O-N 3.29Å |
| 417 | G | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 53 Ų | 53 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -31.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | N415 R421 | N415-G417 PolarHBondContact O-N 3.3Å; N415-G417 WeakPolarHBondContact OD1-CA 3.49Å; N415-G417 PolarHBondContact OD1-N 3.42Å; G417-R421 WeakPolarHBondContact O-CG 3.37Å; G417-R421 VanDerWaalsContact O-CZ 3.24Å; G417-R421 PolarHBondContact O-N 3.31Å; G417-R421 PolarHBondContact O-NE 3.45Å |
| 418 | Y | 98.6 | Very high | 97.2 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 173.7 | -65.7 | -62.1 | 0 | 0 | 0 | 111.3 | G390 G392 V393 S411 V412 N415 S416 Q420 R421 I422 | G390-Y418 WeakPolarHBondContact O-CD1 3.37Å; G392-Y418 VanDerWaalsContact CA-CD1 3.48Å; G392-Y418 WeakPolarHBondContact O-CE1 3.32Å; V393-Y418 HydrophobicContact CG1-CE2 4.26Å; V393-Y418 VanDerWaalsContact CG1-OH 3.27Å; V393-Y418 WeakPolarHBondContact CG1-OH 3.4Å; S411-Y418 WeakPolarHBondContact O-CE2 3.45Å; V412-Y418 HydrophobicContact CB-CD2 4.39Å; V412-Y418 HydrophobicContact CG1-CD2 4.11Å; V412-Y418 HydrophobicContact CG1-CG 4.48Å; N415-Y418 HydrophobicContact CB-CD2 3.66Å; N415-Y418 HydrophobicContact CB-CE2 3.68Å; N415-Y418 WeakPolarHBondContact O-CD2 3.5Å; N415-Y418 PolarHBondContact O-N 2.71Å; N415-Y418 VanDerWaalsContact O-N 3.14Å; S416-Y418 PolarHBondContact O-N 3.46Å; Y418-Q420 PolarHBondContact O-N 2.98Å; Y418-R421 VanDerWaalsContact CD1-NH2 3.29Å; Y418-R421 PolarHBondContact O-N 3.17Å; Y418-I422 WeakPolarHBondContact O-CG2 3.16Å; Y418-I422 PolarHBondContact O-N 2.82Å |
| 419 | K | 98.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.5 | -175.5 | 65.9 | 177.6 | -171.8 | 0 | 111.3 | A367 P369 S416 R421 I422 T423 | A367-K419 VanDerWaalsContact O-CD 3.25Å; A367-K419 WeakPolarHBondContact O-CD 3.39Å; A367-K419 WeakPolarHBondContact O-CE 3.3Å; A367-K419 PolarHBondContact O-NZ 3.34Å; P369-K419 HydrophobicContact CG-CB 4.04Å; P369-K419 HydrophobicContact CG-CD 4.15Å; S416-K419 PolarHBondContact O-N 3.31Å; S416-K419 VanDerWaalsContact O-N 3.13Å; K419-R421 PolarHBondContact O-N 3.38Å; K419-I422 HydrophobicContact CD-CG2 4.47Å; K419-I422 WeakPolarHBondContact O-CG2 3.4Å; K419-I422 PolarHBondContact O-N 3.11Å; K419-T423 WeakPolarHBondContact O-CB 3.22Å; K419-T423 PolarHBondContact O-N 3.25Å; K419-T423 PolarHBondContact O-OG1 3.37Å |
| 420 | Q | 97.9 | Very high | 96.5 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 178.4 | -68.5 | 172.5 | 13.6 | 0 | 0 | 112.5 | S416 Y418 K424 | S416-Q420 WeakPolarHBondContact O-CG 3.22Å; S416-Q420 PolarHBondContact O-N 3.29Å; Y418-Q420 PolarHBondContact O-N 2.98Å; Q420-K424 WeakPolarHBondContact O-CG 3.5Å; Q420-K424 PolarHBondContact O-N 3.4Å; Q420-K424 VanDerWaalsContact O-N 3.13Å |
| 421 | R | 97 | Very high | 96.2 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 39% | 0.389 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | -179.9 | -74.8 | -177 | -64.5 | -94.4 | -1 | 112.3 | G390 G417 Y418 K419 K424 L425 | G390-R421 PolarHBondContact O-NE 3.4Å; G390-R421 PolarHBondContact O-NH2 2.9Å; G417-R421 WeakPolarHBondContact O-CG 3.37Å; G417-R421 VanDerWaalsContact O-CZ 3.24Å; G417-R421 PolarHBondContact O-N 3.31Å; G417-R421 PolarHBondContact O-NE 3.45Å; Y418-R421 VanDerWaalsContact CD1-NH2 3.29Å; Y418-R421 PolarHBondContact O-N 3.17Å; K419-R421 PolarHBondContact O-N 3.38Å; R421-K424 PolarHBondContact O-N 2.72Å; R421-L425 WeakPolarHBondContact O-CB 3.23Å; R421-L425 PolarHBondContact O-N 3.49Å |
| 422 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 178.3 | -159.3 | 174.4 | 0 | 0 | 0 | 112.2 | A363 V364 A367 V368 P369 M370 L391 Y418 K419 L425 S426 | A363-I422 WeakPolarHBondContact O-CD1 3.43Å; V364-I422 HydrophobicContact CG2-CD1 4.26Å; V364-I422 HydrophobicContact CG2-CG1 4.33Å; A367-I422 HydrophobicContact CB-CG2 4.14Å; A367-I422 WeakPolarHBondContact O-CG2 3.35Å; V368-I422 WeakPolarHBondContact O-CD1 3.25Å; P369-I422 HydrophobicContact CG-CG2 4.25Å; M370-I422 HydrophobicContact CE-CD1 4.26Å; L391-I422 HydrophobicContact CB-CD1 4.33Å; L391-I422 HydrophobicContact CD1-CG1 4.48Å; L391-I422 HydrophobicContact CD2-CB 3.8Å; L391-I422 HydrophobicContact CD2-CG1 3.99Å; Y418-I422 WeakPolarHBondContact O-CG2 3.16Å; Y418-I422 PolarHBondContact O-N 2.82Å; K419-I422 HydrophobicContact CD-CG2 4.47Å; K419-I422 WeakPolarHBondContact O-CG2 3.4Å; K419-I422 PolarHBondContact O-N 3.11Å; I422-L425 PolarHBondContact O-N 3.35Å; I422-S426 VanDerWaalsContact O-CB 3.3Å; I422-S426 WeakPolarHBondContact O-CB 3.49Å; I422-S426 PolarHBondContact O-N 2.78Å |
| 423 | T | 97.5 | Very high | 95.2 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 172.4 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | K419 S426 A427 | K419-T423 WeakPolarHBondContact O-CB 3.22Å; K419-T423 PolarHBondContact O-N 3.25Å; K419-T423 PolarHBondContact O-OG1 3.37Å; T423-S426 PolarHBondContact O-N 3.26Å; T423-A427 PolarHBondContact O-N 2.92Å |
| 424 | K | 95.6 | Very high | 94.8 | Very high | 111 Ų | 111 | 54.2 Ų | 54.2 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.4 | -73 | 177.2 | -178 | -176.3 | 0 | 111.9 | Q420 R421 A427 M428 | Q420-K424 WeakPolarHBondContact O-CG 3.5Å; Q420-K424 PolarHBondContact O-N 3.4Å; Q420-K424 VanDerWaalsContact O-N 3.13Å; R421-K424 PolarHBondContact O-N 2.72Å; K424-A427 PolarHBondContact O-N 2.83Å; K424-M428 WeakPolarHBondContact O-CG 3.35Å; K424-M428 PolarHBondContact O-N 2.98Å |
| 425 | L | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177.9 | -175.3 | 59.5 | 0 | 0 | 0 | 112.3 | L241 V364 H389 L391 R421 I422 M428 L429 | L241-L425 HydrophobicContact CD1-CD2 3.96Å; V364-L425 HydrophobicContact CG1-CD2 4.13Å; V364-L425 HydrophobicContact CG1-CG 3.99Å; H389-L425 HydrophobicContact CB-CD2 4.16Å; L391-L425 HydrophobicContact CD1-CD2 3.81Å; L391-L425 HydrophobicContact CD2-CD2 3.92Å; L391-L425 HydrophobicContact CG-CD2 4.45Å; R421-L425 WeakPolarHBondContact O-CB 3.23Å; R421-L425 PolarHBondContact O-N 3.49Å; I422-L425 PolarHBondContact O-N 3.35Å; L425-M428 HydrophobicContact CB-CE 4.27Å; L425-M428 HydrophobicContact CD1-CE 3.78Å; L425-M428 PolarHBondContact O-N 2.75Å; L425-L429 HydrophobicContact CD1-CD1 4.05Å; L425-L429 HydrophobicContact CD1-CG 4.25Å; L425-L429 HydrophobicContact CG-CD1 3.89Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 WeakPolarHBondContact O-CG 3.08Å; L425-L429 PolarHBondContact O-N 2.63Å |
| 426 | S | 95.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | V364 C365 I422 T423 M428 L429 S430 | V364-S426 WeakPolarHBondContact O-CB 3.39Å; V364-S426 PolarHBondContact O-OG 3.08Å; V364-S426 VanDerWaalsContact O-OG 3.14Å; C365-S426 PolarHBondContact O-OG 3.16Å; I422-S426 VanDerWaalsContact O-CB 3.3Å; I422-S426 WeakPolarHBondContact O-CB 3.49Å; I422-S426 PolarHBondContact O-N 2.78Å; T423-S426 PolarHBondContact O-N 3.26Å; S426-M428 PolarHBondContact O-N 3.4Å; S426-L429 PolarHBondContact O-N 2.77Å; S426-S430 WeakPolarHBondContact O-CB 3.33Å; S426-S430 PolarHBondContact O-N 2.94Å; S426-S430 PolarHBondContact O-OG 3.23Å |
| 427 | A | 95 | Very high | 93.5 | Very high | 47 Ų | 47 | 47 Ų | 47 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T423 K424 S430 D431 | T423-A427 PolarHBondContact O-N 2.92Å; K424-A427 PolarHBondContact O-N 2.83Å; A427-S430 PolarHBondContact O-N 3.24Å; A427-D431 WeakPolarHBondContact O-CB 3.35Å; A427-D431 PolarHBondContact O-N 2.92Å; A427-D431 VanDerWaalsContact O-N 3.17Å |
| 428 | M | 92.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.3 | -73.2 | -175.8 | -59.2 | 0 | 0 | 112 | K424 L425 S426 S430 D431 F701 H705 Q707 | K424-M428 WeakPolarHBondContact O-CG 3.35Å; K424-M428 PolarHBondContact O-N 2.98Å; L425-M428 HydrophobicContact CB-CE 4.27Å; L425-M428 HydrophobicContact CD1-CE 3.78Å; L425-M428 PolarHBondContact O-N 2.75Å; S426-M428 PolarHBondContact O-N 3.4Å; M428-S430 VanDerWaalsContact C-N 3.28Å; M428-S430 PolarHBondContact O-N 3.04Å; M428-D431 PolarHBondContact O-N 2.89Å; M428-F701 HydrophobicContact CB-CZ 4.14Å; M428-F701 HydrophobicContact CG-CZ 4.35Å; M428-F701 WeakPolarHBondContact O-CE2 3.49Å; M428-H705 HydrophobicContact CG-CB 3.69Å; M428-H705 WeakPolarHBondContact CG-ND1 3.22Å; M428-H705 HydrophobicContact SD-CB 4.08Å; M428-Q707 HydrophobicContact SD-CG 4.25Å |
| 429 | L | 91.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.8 | -16.9 | -178.5 | -76.6 | 169.7 | 0 | 0 | 0 | 114 | S238 M240 L241 V364 L425 S426 N432 | S238-L429 WeakPolarHBondContact OG-CD2 3.32Å; M240-L429 HydrophobicContact CB-CD2 3.66Å; M240-L429 HydrophobicContact SD-CD2 4.35Å; L241-L429 HydrophobicContact CB-CD1 4.15Å; L241-L429 HydrophobicContact CB-CD2 4.33Å; L241-L429 HydrophobicContact CD1-CD1 4.28Å; V364-L429 HydrophobicContact CG1-CD1 3.54Å; L425-L429 HydrophobicContact CD1-CD1 4.05Å; L425-L429 HydrophobicContact CD1-CG 4.25Å; L425-L429 HydrophobicContact CG-CD1 3.89Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 WeakPolarHBondContact O-CG 3.08Å; L425-L429 PolarHBondContact O-N 2.63Å; S426-L429 PolarHBondContact O-N 2.77Å; L429-N432 PolarHBondContact O-ND2 3.1Å |
| 430 | S | 90.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -92.1 | -19.8 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | S426 A427 M428 N432 | S426-S430 WeakPolarHBondContact O-CB 3.33Å; S426-S430 PolarHBondContact O-N 2.94Å; S426-S430 PolarHBondContact O-OG 3.23Å; A427-S430 PolarHBondContact O-N 3.24Å; M428-S430 VanDerWaalsContact C-N 3.28Å; M428-S430 PolarHBondContact O-N 3.04Å; S430-N432 PolarHBondContact O-N 2.78Å; S430-N432 VanDerWaalsContact O-N 3.16Å |
| 431 | D | 91.8 | Very high | 92.2 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | trans | -86 | 78.6 | 178.3 | -173.6 | 0.1 | 0 | 0 | 0 | 110.2 | A427 M428 F697 F701 R704 H705 | A427-D431 WeakPolarHBondContact O-CB 3.35Å; A427-D431 PolarHBondContact O-N 2.92Å; A427-D431 VanDerWaalsContact O-N 3.17Å; M428-D431 PolarHBondContact O-N 2.89Å; D431-F697 WeakPolarHBondContact O-CZ 3.41Å; D431-F697 WeakPolarHBondContact OD1-CE2 3.4Å; D431-F701 HydrophobicContact CB-CD2 4.08Å; D431-F701 HydrophobicContact CB-CE2 3.93Å; D431-F701 WeakPolarHBondContact O-CD2 3.34Å; D431-F701 WeakPolarHBondContact O-CE2 3.49Å; D431-R704 VanDerWaalsContact CG-NH2 3.27Å; D431-R704 IonicContact OD1-CZ 3.78Å; D431-R704 IonicContact OD1-NE 3.46Å; D431-R704 IonicContact OD1-NH2 2.61Å; D431-R704 PolarHBondContact OD1-NH2 3.2Å; D431-R704 IonicContact OD2-CZ 2.87Å; D431-R704 VanDerWaalsContact OD2-CZ 3.26Å; D431-R704 IonicContact OD2-NE 2.78Å; D431-R704 PolarHBondContact OD2-NE 3.14Å; D431-R704 IonicContact OD2-NH2 2.76Å; D431-R704 PolarHBondContact OD2-NH2 3.22Å; D431-H705 IonicContact OD2-CD2 2.81Å; D431-H705 PolarHBondContact OD2-CD2 3.43Å; D431-H705 IonicContact OD2-NE2 2.8Å; D431-H705 PolarHBondContact OD2-NE2 3.15Å | ||
| 432 | N | 88.3 | Confident | 92 | Very high | 65 Ų | 65 | 39.8 Ų | 39.8 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | trans | -109.9 | 144.6 | 179.9 | -59 | -66.3 | 0 | 0 | 0 | 111.1 | L429 S430 I434 | L429-N432 PolarHBondContact O-ND2 3.1Å; S430-N432 PolarHBondContact O-N 2.78Å; S430-N432 VanDerWaalsContact O-N 3.16Å; N432-I434 VanDerWaalsContact C-N 3.34Å | ||
| 433 | L | 88.5 | Confident | 91.7 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -69.4 | -32.7 | 176.3 | 179.3 | 56.1 | 0 | 0 | 0 | 112.8 | I689 K694 F697 | L433-I689 HydrophobicContact CD1-CG2 4.44Å; L433-I689 HydrophobicContact CD2-CD1 3.8Å; L433-I689 HydrophobicContact CD2-CG2 3.98Å; L433-I689 HydrophobicContact CG-CD1 3.83Å; L433-I689 HydrophobicContact CG-CG1 4.49Å; L433-I689 HydrophobicContact CG-CG2 4.32Å; L433-K694 HydrophobicContact CD2-CB 3.87Å; L433-K694 HydrophobicContact CD2-CG 3.89Å; L433-F697 HydrophobicContact CB-CD1 3.77Å; L433-F697 HydrophobicContact CB-CD2 4.12Å; L433-F697 HydrophobicContact CB-CE1 3.81Å; L433-F697 HydrophobicContact CB-CE2 4.14Å; L433-F697 HydrophobicContact CB-CG 3.93Å; L433-F697 HydrophobicContact CB-CZ 4Å; L433-F697 HydrophobicContact CD1-CB 3.83Å; L433-F697 HydrophobicContact CD1-CD1 4.41Å; L433-F697 HydrophobicContact CD1-CD2 3.85Å; L433-F697 HydrophobicContact CD1-CG 3.75Å; L433-F697 HydrophobicContact CD2-CB 4.27Å; L433-F697 HydrophobicContact CD2-CD1 4.21Å; L433-F697 HydrophobicContact CD2-CG 4.26Å; L433-F697 HydrophobicContact CG-CD1 4.36Å; L433-F697 HydrophobicContact CG-CG 4.2Å; L433-F697 VanDerWaalsContact N-CZ 3.35Å |
| 434 | I | 88.4 | Confident | 91.5 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 18% | 0.179 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -143.7 | 147.8 | 178.3 | -174.6 | 166.8 | 0 | 0 | 0 | 108.6 | N432 E436 K438 K439 V688 I689 | N432-I434 VanDerWaalsContact C-N 3.34Å; I434-E436 PolarHBondContact O-N 2.77Å; I434-K438 HydrophobicContact CD1-CB 4.39Å; I434-K438 HydrophobicContact CG1-CB 4.23Å; I434-K439 HydrophobicContact CD1-CB 4.3Å; I434-K439 HydrophobicContact CG1-CB 4.45Å; I434-K439 HydrophobicContact CG2-CB 3.94Å; I434-K439 HydrophobicContact CG2-CD 4.08Å; I434-K439 HydrophobicContact CG2-CG 4.32Å; I434-V688 HydrophobicContact CD1-CG2 3.31Å; I434-I689 HydrophobicContact CB-CD1 4.01Å; I434-I689 HydrophobicContact CD1-CD1 4.41Å; I434-I689 HydrophobicContact CG2-CD1 3.85Å |
| 435 | D | 88.2 | Confident | 91.4 | Very high | 78 Ų | 78 | 34.6 Ų | 34.6 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | trans | -59.7 | 130.9 | 169.1 | 178.2 | -88.4 | 0 | 0 | 0 | 110.4 | T437 K438 K439 | D435-T437 VanDerWaalsContact C-N 3.27Å; D435-T437 PolarHBondContact O-N 3.44Å; D435-T437 VanDerWaalsContact OD1-CA 3.32Å; D435-T437 WeakPolarHBondContact OD1-CA 3.44Å; D435-T437 WeakPolarHBondContact OD1-CB 3.22Å; D435-T437 PolarHBondContact OD1-N 3.33Å; D435-T437 PolarHBondContact OD1-OG1 3.46Å; D435-K438 HydrophobicContact CB-CB 4.1Å; D435-K438 HydrophobicContact CB-CD 4.17Å; D435-K438 HydrophobicContact CB-CG 3.99Å; D435-K438 WeakPolarHBondContact O-CB 3.32Å; D435-K438 PolarHBondContact O-N 3.01Å; D435-K438 VanDerWaalsContact O-N 3.16Å; D435-K438 PolarHBondContact OD1-N 3.24Å; D435-K439 PolarHBondContact O-N 3.3Å | ||
| 436 | E | 88 | Confident | 91.2 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -28.8 | -174.5 | -69.6 | -63.2 | 135.2 | 0 | 0 | 112.6 | S253 I254 D255 I434 K439 G440 | S253-E436 VanDerWaalsContact O-OE2 3.07Å; I254-E436 HydrophobicContact CG2-CB 4.39Å; D255-E436 HydrophobicContact CB-CG 4.41Å; I434-E436 PolarHBondContact O-N 2.77Å; E436-K439 IonicContact OE1-NZ 2.7Å; E436-K439 PolarHBondContact OE1-NZ 3.24Å; E436-K439 WeakPolarHBondContact OE2-CD 3.48Å; E436-K439 IonicContact OE2-NZ 3.15Å; E436-K439 PolarHBondContact OE2-NZ 3.44Å; E436-G440 PolarHBondContact O-N 3.45Å |
| 437 | T | 90.1 | Very high | 91 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | 174.1 | -45.6 | 0 | 0 | 0 | 0 | 110.1 | P44 L45 E48 D435 K439 G440 S441 | P44-T437 HydrophobicContact CB-CG2 4.19Å; P44-T437 WeakPolarHBondContact O-CG2 3.5Å; L45-T437 HydrophobicContact CB-CG2 4.29Å; L45-T437 HydrophobicContact CD1-CG2 4.25Å; E48-T437 HydrophobicContact CB-CG2 3.75Å; E48-T437 HydrophobicContact CG-CG2 4.31Å; D435-T437 VanDerWaalsContact C-N 3.27Å; D435-T437 PolarHBondContact O-N 3.44Å; D435-T437 VanDerWaalsContact OD1-CA 3.32Å; D435-T437 WeakPolarHBondContact OD1-CA 3.44Å; D435-T437 WeakPolarHBondContact OD1-CB 3.22Å; D435-T437 PolarHBondContact OD1-N 3.33Å; D435-T437 PolarHBondContact OD1-OG1 3.46Å; T437-K439 PolarHBondContact O-N 3.31Å; T437-G440 PolarHBondContact O-N 2.71Å; T437-S441 PolarHBondContact O-N 2.95Å |
| 438 | K | 91.2 | Very high | 90.8 | Very high | 115 Ų | 115 | 34.2 Ų | 34.2 | 50% | 0.5 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 174.4 | -69.7 | -168.7 | 170.8 | -173.2 | 0 | 112.7 | E48 I434 D435 S441 F442 | E48-K438 HydrophobicContact CG-CG 4.47Å; E48-K438 WeakPolarHBondContact OE1-CG 3.3Å; I434-K438 HydrophobicContact CD1-CB 4.39Å; I434-K438 HydrophobicContact CG1-CB 4.23Å; D435-K438 HydrophobicContact CB-CB 4.1Å; D435-K438 HydrophobicContact CB-CD 4.17Å; D435-K438 HydrophobicContact CB-CG 3.99Å; D435-K438 WeakPolarHBondContact O-CB 3.32Å; D435-K438 PolarHBondContact O-N 3.01Å; D435-K438 VanDerWaalsContact O-N 3.16Å; D435-K438 PolarHBondContact OD1-N 3.24Å; K438-S441 PolarHBondContact O-N 2.9Å; K438-F442 WeakPolarHBondContact O-CB 3.2Å; K438-F442 PolarHBondContact O-N 3.12Å |
| 439 | K | 90.2 | Very high | 90.8 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 23% | 0.226 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.4 | 178.1 | -174.3 | 165.9 | -161.2 | 0 | 111.4 | I434 D435 E436 T437 F442 W443 | I434-K439 HydrophobicContact CD1-CB 4.3Å; I434-K439 HydrophobicContact CG1-CB 4.45Å; I434-K439 HydrophobicContact CG2-CB 3.94Å; I434-K439 HydrophobicContact CG2-CD 4.08Å; I434-K439 HydrophobicContact CG2-CG 4.32Å; D435-K439 PolarHBondContact O-N 3.3Å; E436-K439 IonicContact OE1-NZ 2.7Å; E436-K439 PolarHBondContact OE1-NZ 3.24Å; E436-K439 WeakPolarHBondContact OE2-CD 3.48Å; E436-K439 IonicContact OE2-NZ 3.15Å; E436-K439 PolarHBondContact OE2-NZ 3.44Å; T437-K439 PolarHBondContact O-N 3.31Å; K439-F442 PolarHBondContact O-N 2.84Å; K439-W443 PolarHBondContact O-N 2.92Å; K439-W443 VanDerWaalsContact O-N 3.11Å |
| 440 | G | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E436 T437 F442 W443 I444 | E436-G440 PolarHBondContact O-N 3.45Å; T437-G440 PolarHBondContact O-N 2.71Å; G440-F442 VanDerWaalsContact C-N 3.32Å; G440-F442 PolarHBondContact O-N 2.88Å; G440-W443 PolarHBondContact O-N 3.24Å; G440-I444 VanDerWaalsContact O-CG1 3.3Å; G440-I444 WeakPolarHBondContact O-CG1 3.41Å; G440-I444 PolarHBondContact O-N 2.89Å |
| 441 | S | 93.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 177.7 | -154.6 | 0 | 0 | 0 | 0 | 112 | L49 D52 T437 K438 W443 I444 S445 | L49-S441 VanDerWaalsContact CD2-OG 3.32Å; L49-S441 WeakPolarHBondContact CD2-OG 3.5Å; D52-S441 PolarHBondContact OD2-OG 3.15Å; T437-S441 PolarHBondContact O-N 2.95Å; K438-S441 PolarHBondContact O-N 2.9Å; S441-W443 PolarHBondContact O-N 3.11Å; S441-I444 PolarHBondContact O-N 3.33Å; S441-S445 VanDerWaalsContact O-CB 3.28Å; S441-S445 WeakPolarHBondContact O-CB 3.31Å; S441-S445 PolarHBondContact O-N 3.24Å; S441-S445 PolarHBondContact O-OG 3.49Å |
| 442 | F | 92.8 | Very high | 89.8 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 13% | 0.127 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 176.1 | 173 | -92.6 | 0 | 0 | 0 | 112.1 | K438 K439 G440 S445 F446 D686 V688 | K438-F442 WeakPolarHBondContact O-CB 3.2Å; K438-F442 PolarHBondContact O-N 3.12Å; K439-F442 PolarHBondContact O-N 2.84Å; G440-F442 VanDerWaalsContact C-N 3.32Å; G440-F442 PolarHBondContact O-N 2.88Å; F442-S445 CarbonylContact O-C 3.54Å; F442-S445 PolarHBondContact O-N 3.22Å; F442-F446 HydrophobicContact CE1-CB 4.29Å; F442-F446 HydrophobicContact CE1-CD2 4.31Å; F442-F446 HydrophobicContact CZ-CD2 4.14Å; F442-F446 VanDerWaalsContact O-CB 3.25Å; F442-F446 WeakPolarHBondContact O-CB 3.23Å; F442-F446 PolarHBondContact O-N 2.8Å; F442-D686 WeakPolarHBondContact CZ-O 3.33Å; F442-V688 HydrophobicContact CB-CB 4.45Å; F442-V688 HydrophobicContact CB-CG2 4.18Å; F442-V688 HydrophobicContact CD1-CB 3.68Å; F442-V688 HydrophobicContact CD1-CG1 4.02Å; F442-V688 HydrophobicContact CD1-CG2 4.31Å; F442-V688 HydrophobicContact CD2-CB 3.66Å; F442-V688 HydrophobicContact CD2-CG2 3.89Å; F442-V688 HydrophobicContact CE1-CB 3.76Å; F442-V688 HydrophobicContact CE1-CG1 4.08Å; F442-V688 HydrophobicContact CE2-CB 3.73Å; F442-V688 HydrophobicContact CE2-CG2 4.39Å; F442-V688 HydrophobicContact CG-CB 3.63Å; F442-V688 HydrophobicContact CG-CG1 4.4Å; F442-V688 HydrophobicContact CG-CG2 3.84Å; F442-V688 HydrophobicContact CZ-CB 3.78Å |
| 443 | W | 91.2 | Very high | 89.2 | Confident | 61 Ų | 61 | 41 Ų | 41 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -38 | -178.2 | -76.4 | 116.5 | 0 | 0 | 0 | 112.4 | Y232 F252 K439 G440 S441 F446 Y447 | Y232-W443 HydrophobicContact CE2-CB 4.26Å; Y232-W443 WeakPolarHBondContact CE2-O 3.36Å; F252-W443 HydrophobicContact CE1-CB 4.14Å; F252-W443 HydrophobicContact CE1-CG 4.28Å; F252-W443 HydrophobicContact CZ-CB 3.88Å; F252-W443 HydrophobicContact CZ-CG 4.29Å; K439-W443 PolarHBondContact O-N 2.92Å; K439-W443 VanDerWaalsContact O-N 3.11Å; G440-W443 PolarHBondContact O-N 3.24Å; S441-W443 PolarHBondContact O-N 3.11Å; W443-F446 HydrophobicContact CE3-CB 4.27Å; W443-F446 HydrophobicContact CE3-CD1 4.11Å; W443-F446 HydrophobicContact CE3-CG 4.14Å; W443-F446 HydrophobicContact CZ3-CD1 4.15Å; W443-F446 HydrophobicContact CZ3-CD2 4.5Å; W443-F446 HydrophobicContact CZ3-CE1 4.36Å; W443-F446 HydrophobicContact CZ3-CG 4.24Å; W443-F446 WeakPolarHBondContact O-CB 3.43Å; W443-F446 PolarHBondContact O-N 3.21Å; W443-Y447 PolarHBondContact O-N 3.46Å |
| 444 | I | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -51 | 172.7 | -69 | 172.1 | 0 | 0 | 0 | 110.1 | I27 L45 L49 L139 I141 I157 G440 S441 F446 Y447 L448 | I27-I444 HydrophobicContact CD1-CG2 4.33Å; L45-I444 HydrophobicContact CD1-CD1 4.16Å; L45-I444 HydrophobicContact CD2-CD1 3.8Å; L45-I444 HydrophobicContact CG-CD1 4.17Å; L49-I444 HydrophobicContact CD1-CD1 3.91Å; L49-I444 HydrophobicContact CD1-CG2 4.25Å; L49-I444 HydrophobicContact CD2-CB 4Å; L49-I444 HydrophobicContact CD2-CD1 4.41Å; L49-I444 HydrophobicContact CD2-CG2 3.61Å; L139-I444 HydrophobicContact CD2-CG2 3.6Å; I141-I444 HydrophobicContact CD1-CD1 3.92Å; I157-I444 HydrophobicContact CD1-CB 4.43Å; I157-I444 HydrophobicContact CD1-CD1 4.44Å; I157-I444 HydrophobicContact CD1-CG1 3.62Å; G440-I444 VanDerWaalsContact O-CG1 3.3Å; G440-I444 WeakPolarHBondContact O-CG1 3.41Å; G440-I444 PolarHBondContact O-N 2.89Å; S441-I444 PolarHBondContact O-N 3.33Å; I444-F446 VanDerWaalsContact C-N 3.3Å; I444-F446 PolarHBondContact O-N 3Å; I444-Y447 PolarHBondContact O-N 3.48Å; I444-L448 HydrophobicContact CG2-CD1 4.18Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-L448 PolarHBondContact O-N 3.41Å |
| 445 | S | 92.5 | Very high | 86.8 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -32.8 | 178.3 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | D52 H54 S441 F442 L448 R449 | D52-S445 PolarHBondContact OD2-OG 3.11Å; H54-S445 PolarHBondContact NE2-OG 2.83Å; S441-S445 VanDerWaalsContact O-CB 3.28Å; S441-S445 WeakPolarHBondContact O-CB 3.31Å; S441-S445 PolarHBondContact O-N 3.24Å; S441-S445 PolarHBondContact O-OG 3.49Å; F442-S445 CarbonylContact O-C 3.54Å; F442-S445 PolarHBondContact O-N 3.22Å; S445-L448 PolarHBondContact O-N 3.49Å; S445-R449 VanDerWaalsContact CB-NH1 3.27Å; S445-R449 WeakPolarHBondContact O-CG 3.49Å; S445-R449 PolarHBondContact O-N 3.3Å; S445-R449 PolarHBondContact O-NH1 3.49Å |
| 446 | F | 91.2 | Very high | 85 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 173.6 | 176.8 | -83 | 0 | 0 | 0 | 110.6 | F442 W443 I444 L448 R449 H450 M495 M683 D686 | F442-F446 HydrophobicContact CE1-CB 4.29Å; F442-F446 HydrophobicContact CE1-CD2 4.31Å; F442-F446 HydrophobicContact CZ-CD2 4.14Å; F442-F446 VanDerWaalsContact O-CB 3.25Å; F442-F446 WeakPolarHBondContact O-CB 3.23Å; F442-F446 PolarHBondContact O-N 2.8Å; W443-F446 HydrophobicContact CE3-CB 4.27Å; W443-F446 HydrophobicContact CE3-CD1 4.11Å; W443-F446 HydrophobicContact CE3-CG 4.14Å; W443-F446 HydrophobicContact CZ3-CD1 4.15Å; W443-F446 HydrophobicContact CZ3-CD2 4.5Å; W443-F446 HydrophobicContact CZ3-CE1 4.36Å; W443-F446 HydrophobicContact CZ3-CG 4.24Å; W443-F446 WeakPolarHBondContact O-CB 3.43Å; W443-F446 PolarHBondContact O-N 3.21Å; I444-F446 VanDerWaalsContact C-N 3.3Å; I444-F446 PolarHBondContact O-N 3Å; F446-L448 VanDerWaalsContact C-N 3.32Å; F446-L448 PolarHBondContact O-N 2.8Å; F446-R449 PolarHBondContact O-N 2.96Å; F446-H450 AromaticContact CD2-CD2 3.87Å; F446-H450 HydrophobicContact CE1-CB 4.36Å; F446-H450 AromaticContact CE2-CD2 3.74Å; F446-H450 AromaticContact CZ-CD2 3.88Å; F446-H450 WeakPolarHBondContact O-CB 3.45Å; F446-H450 PolarHBondContact O-CD2 3.27Å; F446-H450 PolarHBondContact O-N 3.28Å; F446-M495 HydrophobicContact CE1-CE 4.49Å; F446-M495 HydrophobicContact CE1-SD 4.34Å; F446-M495 HydrophobicContact CE2-CE 4.19Å; F446-M495 HydrophobicContact CZ-CE 3.63Å; F446-M495 HydrophobicContact CZ-SD 3.75Å; F446-M683 HydrophobicContact CE2-CB 4.46Å; F446-M683 HydrophobicContact CZ-CB 3.92Å; F446-M683 HydrophobicContact CZ-CG 4.08Å; F446-D686 HydrophobicContact CD2-CB 4.11Å; F446-D686 HydrophobicContact CE2-CB 3.91Å; F446-D686 WeakPolarHBondContact CE2-O 3.35Å |
| 447 | Y | 90.9 | Very high | 83.1 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.9 | 170.8 | -103 | 0 | 0 | 0 | 111.8 | L139 A155 V231 W443 I444 R449 H450 P451 A454 | L139-Y447 HydrophobicContact CD1-CD1 4.25Å; L139-Y447 HydrophobicContact CD1-CE1 4.1Å; A155-Y447 HydrophobicContact CB-CE1 3.66Å; A155-Y447 WeakPolarHBondContact CB-OH 3.39Å; V231-Y447 HydrophobicContact CB-CD2 4.32Å; V231-Y447 HydrophobicContact CB-CE2 4.3Å; V231-Y447 HydrophobicContact CG1-CD1 4.06Å; V231-Y447 HydrophobicContact CG1-CD2 3.26Å; V231-Y447 HydrophobicContact CG1-CE1 4.43Å; V231-Y447 HydrophobicContact CG1-CE2 3.68Å; V231-Y447 HydrophobicContact CG1-CG 3.48Å; V231-Y447 VanDerWaalsContact CG1-CG 3.48Å; V231-Y447 HydrophobicContact CG2-CD1 4.43Å; V231-Y447 HydrophobicContact CG2-CD2 4.07Å; V231-Y447 HydrophobicContact CG2-CE1 4Å; V231-Y447 HydrophobicContact CG2-CE2 3.57Å; V231-Y447 HydrophobicContact CG2-CG 4.47Å; W443-Y447 PolarHBondContact O-N 3.46Å; I444-Y447 PolarHBondContact O-N 3.48Å; Y447-R449 VanDerWaalsContact C-N 3.26Å; Y447-R449 PolarHBondContact O-N 3.45Å; Y447-H450 CarbonylContact O-C 3.52Å; Y447-H450 PolarHBondContact O-N 2.81Å; Y447-P451 HydrophobicContact CE2-CB 4.42Å; Y447-P451 VanDerWaalsContact CE2-O 3.29Å; Y447-P451 WeakPolarHBondContact CE2-O 3.23Å; Y447-P451 VanDerWaalsContact O-CA 3.23Å; Y447-P451 WeakPolarHBondContact O-CA 3.46Å; Y447-A454 HydrophobicContact CD2-CB 4.23Å; Y447-A454 HydrophobicContact CE2-CB 3.87Å |
| 448 | L | 91.5 | Very high | 80.9 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -30.6 | 178.7 | -67.5 | 171.5 | 0 | 0 | 0 | 112.8 | K25 I27 D138 L139 I444 S445 F446 | K25-L448 HydrophobicContact CB-CD1 4.01Å; K25-L448 HydrophobicContact CB-CD2 4.36Å; K25-L448 HydrophobicContact CG-CB 4.4Å; K25-L448 HydrophobicContact CG-CD1 4.04Å; K25-L448 HydrophobicContact CG-CD2 4.19Å; K25-L448 HydrophobicContact CG-CG 4.45Å; I27-L448 HydrophobicContact CD1-CD1 3.97Å; D138-L448 HydrophobicContact CB-CD2 4.33Å; L139-L448 HydrophobicContact CB-CD2 4.18Å; L139-L448 HydrophobicContact CD2-CD2 4.49Å; I444-L448 HydrophobicContact CG2-CD1 4.18Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-L448 PolarHBondContact O-N 3.41Å; S445-L448 PolarHBondContact O-N 3.49Å; F446-L448 VanDerWaalsContact C-N 3.32Å; F446-L448 PolarHBondContact O-N 2.8Å |
| 449 | R | 90.8 | Very high | 78.5 | Confident | 93 Ų | 93 | 39.3 Ų | 39.3 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -77 | -32.5 | 171.6 | -69.8 | -173.3 | -58.8 | -89.9 | 6.4 | 112.4 | S445 F446 Y447 D686 | S445-R449 VanDerWaalsContact CB-NH1 3.27Å; S445-R449 WeakPolarHBondContact O-CG 3.49Å; S445-R449 PolarHBondContact O-N 3.3Å; S445-R449 PolarHBondContact O-NH1 3.49Å; F446-R449 PolarHBondContact O-N 2.96Å; Y447-R449 VanDerWaalsContact C-N 3.26Å; Y447-R449 PolarHBondContact O-N 3.45Å; R449-D686 IonicContact CZ-OD1 2.67Å; R449-D686 IonicContact CZ-OD2 2.85Å; R449-D686 IonicContact NE-OD1 2.73Å; R449-D686 IonicContact NE-OD2 2.81Å; R449-D686 PolarHBondContact NE-OD2 2.88Å; R449-D686 IonicContact NH2-OD1 2.59Å; R449-D686 PolarHBondContact NH2-OD1 3.37Å; R449-D686 IonicContact NH2-OD2 3.44Å; R449-D686 PolarHBondContact NH2-OD2 3.31Å |
| 450 | H | 90.1 | Very high | 76 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | trans | -128.9 | 66.8 | -174.7 | -56.2 | -73.3 | 0 | 0 | 0 | 111.6 | F446 Y447 Q452 S453 M683 D686 | F446-H450 AromaticContact CD2-CD2 3.87Å; F446-H450 HydrophobicContact CE1-CB 4.36Å; F446-H450 AromaticContact CE2-CD2 3.74Å; F446-H450 AromaticContact CZ-CD2 3.88Å; F446-H450 WeakPolarHBondContact O-CB 3.45Å; F446-H450 PolarHBondContact O-CD2 3.27Å; F446-H450 PolarHBondContact O-N 3.28Å; Y447-H450 CarbonylContact O-C 3.52Å; Y447-H450 PolarHBondContact O-N 2.81Å; H450-Q452 PolarHBondContact O-N 2.85Å; H450-S453 WeakPolarHBondContact O-CB 3.15Å; H450-S453 PolarHBondContact O-N 3.31Å; H450-S453 PolarHBondContact O-OG 2.85Å; H450-M683 HydrophobicContact CB-CE 4.14Å; H450-M683 HydrophobicContact CB-CG 3.95Å; H450-M683 HydrophobicContact CB-SD 4.37Å; H450-D686 IonicContact CD2-OD2 3.66Å; H450-D686 PolarHBondContact CD2-OD2 3.05Å; H450-D686 IonicContact NE2-OD2 3.78Å; H450-D686 PolarHBondContact NE2-OD2 3.26Å | ||
| 451 | P | 84.9 | Confident | 73.4 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 51% | 0.506 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.4 | -171 | 22.9 | -34.3 | 0 | 0 | 0 | 114.1 | Y447 S453 | Y447-P451 HydrophobicContact CE2-CB 4.42Å; Y447-P451 VanDerWaalsContact CE2-O 3.29Å; Y447-P451 WeakPolarHBondContact CE2-O 3.23Å; Y447-P451 VanDerWaalsContact O-CA 3.23Å; Y447-P451 WeakPolarHBondContact O-CA 3.46Å; P451-S453 VanDerWaalsContact C-N 3.35Å |
| 452 | Q | 78 | Confident | 70.6 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.1 | 174.5 | -64.7 | -175.6 | -13.2 | 0 | 0 | 113.5 | H450 A454 S455 | H450-Q452 PolarHBondContact O-N 2.85Å; Q452-A454 PolarHBondContact O-N 3.24Å; Q452-S455 WeakPolarHBondContact O-CB 2.99Å; Q452-S455 PolarHBondContact O-N 3.33Å; Q452-S455 PolarHBondContact O-OG 3.36Å |
| 453 | S | 75.5 | Confident | 67.5 | Low | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -56 | -35.8 | 177.5 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | H450 P451 S455 I457 | H450-S453 WeakPolarHBondContact O-CB 3.15Å; H450-S453 PolarHBondContact O-N 3.31Å; H450-S453 PolarHBondContact O-OG 2.85Å; P451-S453 VanDerWaalsContact C-N 3.35Å; S453-S455 VanDerWaalsContact C-N 3.32Å; S453-S455 PolarHBondContact O-N 3.47Å; S453-I457 WeakPolarHBondContact O-CG1 3.35Å |
| 454 | A | 67.4 | Low | 64.4 | Low | 16 Ų | 16 | 59 Ų | 59 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -72.4 | -17.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V231 Y447 Q452 H456 I457 | V231-A454 HydrophobicContact CB-CB 4.43Å; V231-A454 HydrophobicContact CG1-CB 4.12Å; V231-A454 HydrophobicContact CG2-CB 4.21Å; Y447-A454 HydrophobicContact CD2-CB 4.23Å; Y447-A454 HydrophobicContact CE2-CB 3.87Å; Q452-A454 PolarHBondContact O-N 3.24Å; A454-H456 PolarHBondContact O-N 3.38Å; A454-I457 WeakPolarHBondContact O-CB 3.46Å; A454-I457 PolarHBondContact O-N 3.13Å |
| 455 | S | 59.5 | Low | 61.4 | Low | 72 Ų | 72 | 64 Ų | 64 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -67.1 | -20.2 | -174.8 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | Q452 S453 | Q452-S455 WeakPolarHBondContact O-CB 2.99Å; Q452-S455 PolarHBondContact O-N 3.33Å; Q452-S455 PolarHBondContact O-OG 3.36Å; S453-S455 VanDerWaalsContact C-N 3.32Å; S453-S455 PolarHBondContact O-N 3.47Å |
| 456 | H | 50.3 | Low | 58.1 | Low | 89 Ų | 89 | 75.2 Ų | 75.2 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -98.6 | -4.7 | 173.6 | -58.1 | -61.8 | 0 | 0 | 0 | 112.7 | A454 | A454-H456 PolarHBondContact O-N 3.38Š|
| 457 | I | 48.4 | Very low | 55.2 | Low | 25 Ų | 25 | 81.8 Ų | 81.8 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -19.8 | -172.7 | -62.1 | -170.3 | 0 | 0 | 0 | 112.4 | Y232 N250 S453 A454 T459 I499 | Y232-I457 HydrophobicContact CE1-CD1 4.12Å; N250-I457 HydrophobicContact CB-CG2 3.3Å; N250-I457 VanDerWaalsContact CG-CG2 3.48Å; N250-I457 WeakPolarHBondContact ND2-CG2 3.28Å; S453-I457 WeakPolarHBondContact O-CG1 3.35Å; A454-I457 WeakPolarHBondContact O-CB 3.46Å; A454-I457 PolarHBondContact O-N 3.13Å; I457-T459 PolarHBondContact O-N 3.32Å; I457-T459 PolarHBondContact O-OG1 2.91Å; I457-I499 VanDerWaalsContact CA-CD1 3.46Å; I457-I499 HydrophobicContact CB-CD1 3.72Å; I457-I499 HydrophobicContact CG1-CD1 3.83Å; I457-I499 HydrophobicContact CG2-CD1 3.53Å |
| 458 | T | 44.9 | Very low | 52.2 | Low | 71 Ų | 71 | 88.1 Ų | 88.1 | 44% | 0.436 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -58.1 | 107.1 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | P460 | T458-P460 WeakPolarHBondContact O-CD 3.43Š|
| 459 | T | 39.7 | Very low | 49.2 | Very low | 30 Ų | 30 | 97.3 Ų | 97.3 | 18% | 0.184 | 49% | 0.488 | C | S | . | . | trans | -64.6 | 116 | -166.6 | -45.4 | 0 | 0 | 0 | 0 | 109.3 | I457 M461 | I457-T459 PolarHBondContact O-N 3.32Å; I457-T459 PolarHBondContact O-OG1 2.91Å; T459-M461 HydrophobicContact CG2-CB 3.69Å; T459-M461 HydrophobicContact CG2-CG 3.83Å; T459-M461 PolarHBondContact O-N 3.25Å | ||
| 460 | P | 38.3 | Very low | 46.2 | Very low | 82 Ų | 82 | 97 Ų | 97 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -68.6 | -1.6 | 176.1 | -17 | 31.4 | 0 | 0 | 0 | 113.1 | T458 L462 Q463 | T458-P460 WeakPolarHBondContact O-CD 3.43Å; P460-L462 PolarHBondContact O-N 2.86Å; P460-Q463 PolarHBondContact O-N 3.16Å |
| 461 | M | 36.1 | Very low | 43.3 | Very low | 104 Ų | 104 | 100.1 Ų | 100.1 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -64.7 | -5.6 | 179 | -73 | -143.1 | 132.5 | 0 | 0 | 114.4 | T459 Q463 P501 | T459-M461 HydrophobicContact CG2-CB 3.69Å; T459-M461 HydrophobicContact CG2-CG 3.83Å; T459-M461 PolarHBondContact O-N 3.25Å; M461-Q463 VanDerWaalsContact C-N 3.29Å; M461-P501 HydrophobicContact SD-CG 4.28Å |
| 462 | L | 35.6 | Very low | 40.9 | Very low | 96 Ų | 96 | 101.8 Ų | 101.8 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -80.9 | -4.8 | 175.6 | -67 | 168.6 | 0 | 0 | 0 | 114.2 | L171 T228 P460 | L171-L462 HydrophobicContact CD2-CD2 4.15Å; T228-L462 HydrophobicContact CG2-CD1 3.36Å; P460-L462 PolarHBondContact O-N 2.86Å |
| 463 | Q | 26.9 | Very low | 38.8 | Very low | 150 Ų | 150 | 101.6 Ų | 101.6 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -83.5 | 125.3 | 156.3 | -69.4 | -166.5 | -15.7 | 0 | 0 | 107.6 | P460 M461 I465 | P460-Q463 PolarHBondContact O-N 3.16Å; M461-Q463 VanDerWaalsContact C-N 3.29Å; Q463-I465 PolarHBondContact O-N 3.43Å |
| 464 | P | 27.7 | Very low | 36.7 | Very low | 125 Ų | 125 | 104.4 Ų | 104.4 | 81% | 0.812 | 56% | 0.56 | S | S | * | * | trans | -62 | 91.7 | 175.7 | 23.7 | -30.4 | 0 | 0 | 0 | 108.5 | R466 | P464-R466 PolarHBondContact O-N 2.86Š| ||
| 465 | I | 29.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 108.6 Ų | 108.6 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | trans | -68.9 | 102.9 | 174 | -73 | 174.1 | 0 | 0 | 0 | 105.6 | Q463 I467 | Q463-I465 PolarHBondContact O-N 3.43Å; I465-I467 HydrophobicContact CG2-CB 4.03Å; I465-I467 HydrophobicContact CG2-CD1 3.32Å; I465-I467 HydrophobicContact CG2-CG1 3.33Å; I465-I467 PolarHBondContact O-N 3.34Å | ||
| 466 | R | 23.7 | Very low | 34.4 | Very low | 243 Ų | 243 | 109.2 Ų | 109.2 | 92% | 0.917 | 59% | 0.59 | S | S | * | * | trans | -61 | 70.9 | 160 | -71 | 179.1 | 171.4 | 176.9 | -2.7 | 109.2 | P464 L468 | P464-R466 PolarHBondContact O-N 2.86Å; R466-L468 VanDerWaalsContact C-N 3.34Å; R466-L468 PolarHBondContact O-N 3.43Å | ||
| 467 | I | 29.9 | Very low | 34 | Very low | 141 Ų | 141 | 107.1 Ų | 107.1 | 72% | 0.723 | 58% | 0.583 | S | S | * | * | trans | -92.7 | 82.7 | 158.6 | -71.5 | 163.8 | 0 | 0 | 0 | 106.9 | I465 R469 | I465-I467 HydrophobicContact CG2-CB 4.03Å; I465-I467 HydrophobicContact CG2-CD1 3.32Å; I465-I467 HydrophobicContact CG2-CG1 3.33Å; I465-I467 PolarHBondContact O-N 3.34Å; I467-R469 PolarHBondContact O-N 3.45Å | ||
| 468 | L | 27.9 | Very low | 33.5 | Very low | 159 Ų | 159 | 111.5 Ų | 111.5 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | trans | -64.8 | 108 | 150.3 | -93 | 149.9 | 0 | 0 | 0 | 107.3 | R466 | R466-L468 VanDerWaalsContact C-N 3.34Å; R466-L468 PolarHBondContact O-N 3.43Å | ||
| 469 | R | 27.2 | Very low | 33 | Very low | 219 Ų | 219 | 114.1 Ų | 114.1 | 83% | 0.826 | 61% | 0.614 | S | S | * | * | trans | -162.5 | 88.8 | 143.5 | -105.8 | 170.1 | -162.5 | -162.6 | 4.8 | 108.7 | I467 V471 | I467-R469 PolarHBondContact O-N 3.45Å; R469-V471 HydrophobicContact CB-CG2 4.42Å; R469-V471 HydrophobicContact CG-CG2 4.48Å; R469-V471 PolarHBondContact O-N 2.89Å | ||
| 470 | A | 27.6 | Very low | 32.9 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | trans | -67 | 87.1 | 153 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 471 | V | 30.4 | Very low | 32.8 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | trans | -90.3 | 108.8 | 156.5 | 179.3 | 0 | 0 | 0 | 0 | 104.5 | R469 L473 | R469-V471 HydrophobicContact CB-CG2 4.42Å; R469-V471 HydrophobicContact CG-CG2 4.48Å; R469-V471 PolarHBondContact O-N 2.89Å; V471-L473 VanDerWaalsContact C-N 3.29Å; V471-L473 HydrophobicContact CG1-CD2 4.32Å; V471-L473 PolarHBondContact O-N 3.19Å | ||
| 472 | S | 34.5 | Very low | 32.9 | Very low | 114 Ų | 114 | 114.3 Ų | 114.3 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | trans | -56.4 | 100.6 | 159.4 | 46.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 473 | L | 32.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | trans | -68.4 | 138.2 | 179.3 | -73.2 | 164.3 | 0 | 0 | 0 | 108.5 | V471 V477 | V471-L473 VanDerWaalsContact C-N 3.29Å; V471-L473 HydrophobicContact CG1-CD2 4.32Å; V471-L473 PolarHBondContact O-N 3.19Å; L473-V477 HydrophobicContact CB-CB 4.04Å; L473-V477 HydrophobicContact CB-CG1 4.14Å; L473-V477 HydrophobicContact CD1-CG1 3.88Å; L473-V477 HydrophobicContact CD2-CG1 4.14Å; L473-V477 HydrophobicContact CD2-CG2 4.47Å; L473-V477 HydrophobicContact CG-CG1 4.27Å | ||
| 474 | P | 32.4 | Very low | 33.9 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | trans | -60.2 | 157.3 | 177.8 | -11.9 | 19.5 | 0 | 0 | 0 | 112 | S476 V477 E478 | P474-S476 PolarHBondContact O-N 2.91Å; P474-V477 PolarHBondContact O-N 2.77Å; P474-E478 PolarHBondContact O-N 2.9Å | ||
| 475 | P | 40.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 104.7 Ų | 104.7 | 67% | 0.669 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -54.1 | -27.6 | -178 | -25.7 | 33.1 | 0 | 0 | 0 | 114.8 | V477 E478 L479 | P475-V477 VanDerWaalsContact C-N 3.28Å; P475-V477 PolarHBondContact O-N 2.9Å; P475-E478 WeakPolarHBondContact O-CB 3.34Å; P475-E478 PolarHBondContact O-N 3.47Å; P475-L479 PolarHBondContact O-N 3.35Å |
| 476 | S | 38.9 | Very low | 34.9 | Very low | 86 Ų | 86 | 103.8 Ų | 103.8 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.9 | -29.3 | 175.8 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | P474 L479 | P474-S476 PolarHBondContact O-N 2.91Å; S476-L479 WeakPolarHBondContact O-CB 3.03Å |
| 477 | V | 40.8 | Very low | 35.5 | Very low | 44 Ų | 44 | 98.5 Ų | 98.5 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -84 | -28.1 | 175.3 | -176 | 0 | 0 | 0 | 0 | 111.3 | L473 P474 P475 L479 T480 M481 | L473-V477 HydrophobicContact CB-CB 4.04Å; L473-V477 HydrophobicContact CB-CG1 4.14Å; L473-V477 HydrophobicContact CD1-CG1 3.88Å; L473-V477 HydrophobicContact CD2-CG1 4.14Å; L473-V477 HydrophobicContact CD2-CG2 4.47Å; L473-V477 HydrophobicContact CG-CG1 4.27Å; P474-V477 PolarHBondContact O-N 2.77Å; P475-V477 VanDerWaalsContact C-N 3.28Å; P475-V477 PolarHBondContact O-N 2.9Å; V477-L479 PolarHBondContact O-N 2.9Å; V477-T480 VanDerWaalsContact CA-OG1 3.24Å; V477-T480 WeakPolarHBondContact CA-OG1 3.44Å; V477-T480 WeakPolarHBondContact CG1-OG1 3.27Å; V477-T480 CarbonylContact O-C 3.59Å; V477-T480 WeakPolarHBondContact O-CA 3.41Å; V477-T480 PolarHBondContact O-N 2.85Å; V477-T480 PolarHBondContact O-OG1 3.21Å; V477-M481 PolarHBondContact O-N 2.98Å |
| 478 | E | 37.3 | Very low | 36 | Very low | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -32.7 | 169.4 | -152.2 | 172.6 | -162.8 | 0 | 0 | 110.9 | P474 P475 M481 S482 | P474-E478 PolarHBondContact O-N 2.9Å; P475-E478 WeakPolarHBondContact O-CB 3.34Å; P475-E478 PolarHBondContact O-N 3.47Å; E478-M481 PolarHBondContact O-N 3.34Å; E478-S482 WeakPolarHBondContact O-CB 3.22Å; E478-S482 PolarHBondContact O-N 2.92Å; E478-S482 PolarHBondContact O-OG 3.48Å |
| 479 | L | 35.6 | Very low | 36.3 | Very low | 126 Ų | 126 | 93.9 Ų | 93.9 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65 | -41 | 169.7 | -141.1 | 84.5 | 0 | 0 | 0 | 112.4 | P475 S476 V477 S482 T483 | P475-L479 PolarHBondContact O-N 3.35Å; S476-L479 WeakPolarHBondContact O-CB 3.03Å; V477-L479 PolarHBondContact O-N 2.9Å; L479-S482 CarbonylContact O-C 3.54Å; L479-S482 PolarHBondContact O-N 3.17Å; L479-T483 PolarHBondContact O-N 3.14Å; L479-T483 PolarHBondContact O-OG1 2.83Å |
| 480 | T | 37.1 | Very low | 37.2 | Very low | 71 Ų | 71 | 84.9 Ų | 84.9 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -25.9 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | V477 T483 M486 | V477-T480 VanDerWaalsContact CA-OG1 3.24Å; V477-T480 WeakPolarHBondContact CA-OG1 3.44Å; V477-T480 WeakPolarHBondContact CG1-OG1 3.27Å; V477-T480 CarbonylContact O-C 3.59Å; V477-T480 WeakPolarHBondContact O-CA 3.41Å; V477-T480 PolarHBondContact O-N 2.85Å; V477-T480 PolarHBondContact O-OG1 3.21Å; T480-T483 VanDerWaalsContact C-OG1 3.25Å; T480-T483 WeakPolarHBondContact CA-OG1 3.32Å; T480-T483 PolarHBondContact O-OG1 3.39Å; T480-M486 WeakPolarHBondContact O-CE 3.32Å |
| 481 | M | 35.7 | Very low | 38.8 | Very low | 107 Ų | 107 | 81.8 Ų | 81.8 | 53% | 0.527 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -81.7 | -25.5 | 169.3 | -76.1 | -72.2 | -159.4 | 0 | 0 | 112 | V477 E478 M486 | V477-M481 PolarHBondContact O-N 2.98Å; E478-M481 PolarHBondContact O-N 3.34Å; M481-M486 HydrophobicContact CE-CE 4.47Å; M481-M486 HydrophobicContact CG-CE 4.27Å; M481-M486 HydrophobicContact SD-CE 3.47Å; M481-M486 WeakPolarHBondContact SD-CE 3.28Å |
| 482 | S | 37.8 | Very low | 40.8 | Very low | 43 Ų | 43 | 77.7 Ų | 77.7 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -78.9 | -18.6 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | E478 L479 L484 R713 | E478-S482 WeakPolarHBondContact O-CB 3.22Å; E478-S482 PolarHBondContact O-N 2.92Å; E478-S482 PolarHBondContact O-OG 3.48Å; L479-S482 CarbonylContact O-C 3.54Å; L479-S482 PolarHBondContact O-N 3.17Å; S482-L484 PolarHBondContact O-N 2.95Å; S482-R713 PolarHBondContact O-NH2 3Å |
| 483 | T | 36.2 | Very low | 42.6 | Very low | 76 Ų | 76 | 72.4 Ų | 72.4 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -61.6 | 123.5 | 174.6 | 28.5 | 0 | 0 | 0 | 0 | 110.4 | L479 T480 L485 | L479-T483 PolarHBondContact O-N 3.14Å; L479-T483 PolarHBondContact O-OG1 2.83Å; T480-T483 VanDerWaalsContact C-OG1 3.25Å; T480-T483 WeakPolarHBondContact CA-OG1 3.32Å; T480-T483 PolarHBondContact O-OG1 3.39Å; T483-L485 PolarHBondContact O-N 3.34Å |
| 484 | L | 47.5 | Very low | 44.4 | Very low | 48 Ų | 48 | 69.2 Ų | 69.2 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -60 | -16.1 | -159.5 | -105.7 | 80.4 | 0 | 0 | 0 | 116.3 | S482 Y702 | S482-L484 PolarHBondContact O-N 2.95Å; L484-Y702 HydrophobicContact CD2-CD2 4.03Å; L484-Y702 HydrophobicContact CD2-CE2 3.13Å; L484-Y702 WeakPolarHBondContact CD2-OH 3.25Å |
| 485 | L | 39.5 | Very low | 46.6 | Very low | 45 Ų | 45 | 68.5 Ų | 68.5 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -147.7 | 122.8 | 165.3 | -76 | 106.5 | 0 | 0 | 0 | 106.3 | T483 Y487 N505 F507 | T483-L485 PolarHBondContact O-N 3.34Å; L485-Y487 PolarHBondContact O-N 3.33Å; L485-Y487 VanDerWaalsContact O-N 3.15Å; L485-N505 WeakPolarHBondContact CA-O 3.46Å; L485-F507 HydrophobicContact CD2-CD1 4.18Å; L485-F507 HydrophobicContact CD2-CE1 3.25Å; L485-F507 HydrophobicContact CD2-CZ 3.79Å |
| 486 | M | 39.9 | Very low | 48.4 | Very low | 84 Ų | 84 | 63.6 Ų | 63.6 | 41% | 0.414 | 35% | 0.352 | S | S | . | . | trans | -79 | 104.2 | 174.9 | -162.4 | 179.8 | -71.2 | 0 | 0 | 108.1 | T480 M481 S488 T506 | T480-M486 WeakPolarHBondContact O-CE 3.32Å; M481-M486 HydrophobicContact CE-CE 4.47Å; M481-M486 HydrophobicContact CG-CE 4.27Å; M481-M486 HydrophobicContact SD-CE 3.47Å; M481-M486 WeakPolarHBondContact SD-CE 3.28Å; M486-S488 PolarHBondContact O-N 3.46Å; M486-T506 HydrophobicContact CB-CG2 4.1Å | ||
| 487 | Y | 36.1 | Very low | 50.4 | Low | 133 Ų | 133 | 60.9 Ų | 60.9 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | trans | -83.9 | 96.7 | 178.7 | -167 | -112.4 | 0 | 0 | 0 | 109 | L485 I489 L509 | L485-Y487 PolarHBondContact O-N 3.33Å; L485-Y487 VanDerWaalsContact O-N 3.15Å; Y487-I489 HydrophobicContact CD1-CD1 3.6Å; Y487-I489 HydrophobicContact CD1-CG1 3.17Å; Y487-I489 HydrophobicContact CE1-CB 4.43Å; Y487-I489 HydrophobicContact CE1-CD1 3.33Å; Y487-I489 HydrophobicContact CE1-CG1 3.04Å; Y487-I489 HydrophobicContact CG-CG1 4.31Å; Y487-I489 PolarHBondContact O-N 3.41Å; Y487-L509 HydrophobicContact CD2-CD1 4.16Å; Y487-L509 HydrophobicContact CE2-CD1 3.28Å; Y487-L509 HydrophobicContact CE2-CG 4.32Å | ||
| 488 | S | 40.9 | Very low | 51.9 | Low | 66 Ų | 66 | 62.4 Ų | 62.4 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | trans | -87.5 | 88.9 | 171.9 | -170 | 0 | 0 | 0 | 0 | 109.6 | M486 G490 S491 | M486-S488 PolarHBondContact O-N 3.46Å; S488-G490 PolarHBondContact O-N 3.11Å; S488-S491 PolarHBondContact O-OG 2.98Å | ||
| 489 | I | 34.1 | Very low | 53.5 | Low | 136 Ų | 136 | 57.6 Ų | 57.6 | 70% | 0.697 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 124 | 170.2 | -54.9 | 176.8 | 0 | 0 | 0 | 108 | Y487 | Y487-I489 HydrophobicContact CD1-CD1 3.6Å; Y487-I489 HydrophobicContact CD1-CG1 3.17Å; Y487-I489 HydrophobicContact CE1-CB 4.43Å; Y487-I489 HydrophobicContact CE1-CD1 3.33Å; Y487-I489 HydrophobicContact CE1-CG1 3.04Å; Y487-I489 HydrophobicContact CG-CG1 4.31Å; Y487-I489 PolarHBondContact O-N 3.41Å |
| 490 | G | 46.8 | Very low | 55.1 | Low | 30 Ų | 30 | 55.7 Ų | 55.7 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 25.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S488 I612 | S488-G490 PolarHBondContact O-N 3.11Å; G490-I612 WeakPolarHBondContact O-CD1 3.46Å |
| 491 | S | 59.9 | Low | 56.8 | Low | 22 Ų | 22 | 54.6 Ų | 54.6 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 151.9 | 168.1 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | S488 R616 | S488-S491 PolarHBondContact O-OG 2.98Å; S491-R616 PolarHBondContact O-NH1 2.93Å |
| 492 | M | 73.6 | Confident | 58.5 | Low | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 143.9 | 167 | -81.4 | -77.7 | 110 | 0 | 0 | 109 | T494 D497 I612 F615 R616 I637 L640 | M492-T494 PolarHBondContact O-N 3.09Å; M492-D497 HydrophobicContact CB-CB 4.32Å; M492-I612 HydrophobicContact CE-CB 4.17Å; M492-I612 HydrophobicContact CE-CD1 3.35Å; M492-I612 HydrophobicContact CE-CG1 3.37Å; M492-I612 HydrophobicContact CG-CD1 4.34Å; M492-F615 HydrophobicContact CE-CD1 3.73Å; M492-F615 HydrophobicContact CE-CE1 4.21Å; M492-F615 HydrophobicContact SD-CD1 3.92Å; M492-F615 HydrophobicContact SD-CE1 3.77Å; M492-R616 HydrophobicContact CE-CG 4.28Å; M492-I637 HydrophobicContact CE-CD1 3.85Å; M492-I637 HydrophobicContact CE-CG1 3.86Å; M492-I637 HydrophobicContact CE-CG2 4Å; M492-I637 HydrophobicContact CG-CG1 4.44Å; M492-I637 HydrophobicContact SD-CG1 4.14Å; M492-I637 HydrophobicContact SD-CG2 4.15Å; M492-L640 HydrophobicContact CG-CD1 4.15Å; M492-L640 HydrophobicContact SD-CD1 4.44Å |
| 493 | P | 71.1 | Confident | 60.1 | Low | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 136.6 | 170.7 | 1.8 | 1.2 | 0 | 0 | 0 | 108.8 | M495 L496 D497 D510 R616 L684 | P493-M495 PolarHBondContact O-N 2.94Å; P493-L496 HydrophobicContact CB-CG 4.41Å; P493-L496 HydrophobicContact CG-CB 4.13Å; P493-L496 HydrophobicContact CG-CD1 3.53Å; P493-L496 HydrophobicContact CG-CG 3.8Å; P493-L496 PolarHBondContact O-N 3.36Å; P493-D497 PolarHBondContact O-N 2.9Å; P493-D510 WeakPolarHBondContact CA-OD2 3.4Å; P493-D510 VanDerWaalsContact CB-OD2 3.3Å; P493-D510 WeakPolarHBondContact CB-OD2 3.2Å; P493-R616 VanDerWaalsContact CD-CZ 3.49Å; P493-R616 VanDerWaalsContact CD-NH1 3.3Å; P493-L684 HydrophobicContact CB-CD2 3.48Å; P493-L684 VanDerWaalsContact CB-CD2 3.48Å; P493-L684 HydrophobicContact CG-CD1 4.28Å; P493-L684 HydrophobicContact CG-CD2 4.04Å |
| 494 | T | 71.8 | Confident | 61.7 | Low | 37 Ų | 37 | 48.9 Ų | 48.9 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -56.2 | -33.5 | -174.9 | -45.5 | 0 | 0 | 0 | 0 | 112.3 | M249 M492 L496 D497 | M249-T494 HydrophobicContact CB-CG2 4.08Å; M249-T494 HydrophobicContact CE-CG2 3.67Å; M249-T494 HydrophobicContact CG-CG2 3.95Å; M492-T494 PolarHBondContact O-N 3.09Å; T494-L496 VanDerWaalsContact C-N 3.27Å; T494-L496 PolarHBondContact O-N 3Å; T494-D497 PolarHBondContact O-N 2.94Å |
| 495 | M | 77 | Confident | 62.8 | Low | 55 Ų | 55 | 47.3 Ų | 47.3 | 27% | 0.271 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -69.7 | -18.8 | 177.3 | -110.9 | -176.7 | -75.9 | 0 | 0 | 115 | F446 P493 H644 M683 L684 | F446-M495 HydrophobicContact CE1-CE 4.49Å; F446-M495 HydrophobicContact CE1-SD 4.34Å; F446-M495 HydrophobicContact CE2-CE 4.19Å; F446-M495 HydrophobicContact CZ-CE 3.63Å; F446-M495 HydrophobicContact CZ-SD 3.75Å; P493-M495 PolarHBondContact O-N 2.94Å; M495-H644 PolarHBondContact O-NE2 2.72Å; M495-M683 HydrophobicContact CE-CB 4.16Å; M495-M683 HydrophobicContact SD-CB 3.5Å; M495-M683 VanDerWaalsContact SD-CB 3.5Å; M495-M683 HydrophobicContact SD-CG 4.21Å; M495-M683 HydrophobicContact SD-SD 3.94Å; M495-L684 HydrophobicContact CB-CD2 4.31Å |
| 496 | L | 79.6 | Confident | 64.3 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -95.5 | -7.8 | 172.7 | -66.9 | -173.8 | 0 | 0 | 0 | 112.5 | P493 T494 F615 V619 H644 F646 L680 L684 | P493-L496 HydrophobicContact CB-CG 4.41Å; P493-L496 HydrophobicContact CG-CB 4.13Å; P493-L496 HydrophobicContact CG-CD1 3.53Å; P493-L496 HydrophobicContact CG-CG 3.8Å; P493-L496 PolarHBondContact O-N 3.36Å; T494-L496 VanDerWaalsContact C-N 3.27Å; T494-L496 PolarHBondContact O-N 3Å; L496-F615 HydrophobicContact CD1-CD1 4.5Å; L496-F615 HydrophobicContact CD1-CE1 3.78Å; L496-V619 HydrophobicContact CD1-CB 4.21Å; L496-V619 HydrophobicContact CD1-CG1 4.02Å; L496-V619 HydrophobicContact CD1-CG2 3.81Å; L496-V619 HydrophobicContact CD2-CG1 4.27Å; L496-H644 PolarHBondContact O-CE1 2.95Å; L496-F646 HydrophobicContact CD2-CE1 4.08Å; L496-F646 HydrophobicContact CD2-CZ 4.25Å; L496-L680 HydrophobicContact CD2-CB 4.31Å; L496-L680 HydrophobicContact CD2-CD1 3.7Å; L496-L680 HydrophobicContact CD2-CD2 4.02Å; L496-L680 HydrophobicContact CD2-CG 4.23Å; L496-L684 HydrophobicContact CD1-CD1 4.44Å |
| 497 | D | 79.1 | Confident | 65.7 | Low | 28 Ų | 28 | 44.6 Ų | 44.6 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -100.5 | 162.6 | -178.7 | -145.4 | -29.9 | 0 | 0 | 0 | 111.1 | M492 P493 T494 R636 | M492-D497 HydrophobicContact CB-CB 4.32Å; P493-D497 PolarHBondContact O-N 2.9Å; T494-D497 PolarHBondContact O-N 2.94Å; D497-R636 IonicContact OD1-CZ 3.3Å; D497-R636 IonicContact OD1-NH1 2.63Å; D497-R636 IonicContact OD1-NH2 2.83Å; D497-R636 PolarHBondContact OD1-NH2 3.21Å; D497-R636 IonicContact OD2-CZ 3.61Å; D497-R636 IonicContact OD2-NH1 3.38Å; D497-R636 PolarHBondContact OD2-NH1 3.42Å; D497-R636 VanDerWaalsContact OD2-NH1 3.1Å; D497-R636 IonicContact OD2-NH2 3.96Å; D497-R636 PolarHBondContact OD2-NH2 3.45Å |
| 498 | I | 74.3 | Confident | 67.2 | Low | 77 Ų | 77 | 39.3 Ų | 39.3 | 40% | 0.395 | 22% | 0.224 | S | C | . | . | trans | -63.4 | 137.1 | 165.3 | -58.5 | 171.1 | 0 | 0 | 0 | 107 | L500 L640 M643 | I498-L500 WeakPolarHBondContact O-CG 3.23Å; I498-L500 PolarHBondContact O-N 3.46Å; I498-L640 HydrophobicContact CG1-CD2 4.11Å; I498-M643 HydrophobicContact CD1-CE 4.01Å; I498-M643 HydrophobicContact CG1-CE 3.88Å; I498-M643 HydrophobicContact CG1-SD 4.45Å | ||
| 499 | I | 69 | Low | 68.5 | Low | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | trans | -61.7 | 115.1 | 174.4 | -62.3 | -167.5 | 0 | 0 | 0 | 109.4 | T248 I457 | T248-I499 HydrophobicContact CG2-CG2 3.75Å; I457-I499 VanDerWaalsContact CA-CD1 3.46Å; I457-I499 HydrophobicContact CB-CD1 3.72Å; I457-I499 HydrophobicContact CG1-CD1 3.83Å; I457-I499 HydrophobicContact CG2-CD1 3.53Å | ||
| 500 | L | 69.4 | Low | 70.1 | Confident | 85 Ų | 85 | 32.5 Ų | 32.5 | 45% | 0.445 | 18% | 0.184 | S | C | . | . | trans | -108.9 | 148.9 | 174.6 | -64.3 | 175.7 | 0 | 0 | 0 | 109.9 | I498 Q502 | I498-L500 WeakPolarHBondContact O-CG 3.23Å; I498-L500 PolarHBondContact O-N 3.46Å; L500-Q502 PolarHBondContact O-N 3.34Å | ||
| 501 | P | 72.6 | Confident | 71.1 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 31% | 0.312 | 18% | 0.183 | S | C | . | . | trans | -58.7 | 126 | 167.5 | -23.5 | 34.7 | 0 | 0 | 0 | 111.2 | A174 P246 Q247 M461 | A174-P501 HydrophobicContact CB-CB 3.56Å; A174-P501 HydrophobicContact CB-CG 3.55Å; P246-P501 HydrophobicContact CB-CB 3.74Å; Q247-P501 CarbonylContact O-C 3.59Å; Q247-P501 WeakPolarHBondContact O-CA 3.47Å; M461-P501 HydrophobicContact SD-CG 4.28Å | ||
| 502 | Q | 71.6 | Confident | 71.8 | Confident | 50 Ų | 50 | 36.2 Ų | 36.2 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 154.4 | 173.7 | -63.3 | -172 | -15.9 | 0 | 0 | 109.9 | P246 Q247 L500 | P246-Q502 CarbonylContact C-O 3.58Å; P246-Q502 WeakPolarHBondContact CA-O 3.34Å; Q247-Q502 PolarHBondContact N-O 2.99Å; Q247-Q502 PolarHBondContact O-N 2.58Å; L500-Q502 PolarHBondContact O-N 3.34Å |
| 503 | T | 71.3 | Confident | 72.3 | Confident | 15 Ų | 15 | 37.9 Ų | 37.9 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | trans | -112.2 | 159.8 | 172.9 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | I244 P246 N505 T506 L714 | I244-T503 HydrophobicContact CG2-CG2 4.47Å; P246-T503 HydrophobicContact CB-CG2 4.05Å; P246-T503 HydrophobicContact CG-CG2 3.87Å; T503-N505 VanDerWaalsContact CB-OD1 3.24Å; T503-N505 WeakPolarHBondContact CB-OD1 3.22Å; T503-N505 PolarHBondContact O-N 3.44Å; T503-N505 VanDerWaalsContact O-N 3.16Å; T503-N505 PolarHBondContact OG1-OD1 2.96Å; T503-T506 PolarHBondContact N-OG1 2.67Å; T503-T506 CarbonylContact O-C 3.55Å; T503-T506 WeakPolarHBondContact O-CA 3.49Å; T503-T506 PolarHBondContact O-N 3.42Å; T503-T506 PolarHBondContact O-OG1 3.44Å; T503-T506 PolarHBondContact OG1-OG1 2.92Å; T503-L714 HydrophobicContact CG2-CD1 3.81Å; T503-L714 HydrophobicContact CG2-CD2 3.63Å; T503-L714 HydrophobicContact CG2-CG 3.76Å | ||
| 504 | M | 70.2 | Confident | 72.9 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.3 | -176.9 | -165.2 | -168.9 | 75.7 | 0 | 0 | 113.6 | S239 M240 I244 T506 M712 | S239-M504 PolarHBondContact OG-SD 3.44Å; M240-M504 HydrophobicContact CB-CE 4.36Å; M240-M504 HydrophobicContact CE-CE 3.72Å; M240-M504 HydrophobicContact CE-SD 3.99Å; M240-M504 HydrophobicContact CG-CE 3.18Å; M240-M504 HydrophobicContact CG-SD 3.51Å; M240-M504 VanDerWaalsContact CG-SD 3.51Å; M240-M504 HydrophobicContact SD-CE 4.23Å; I244-M504 HydrophobicContact CD1-CB 4.28Å; I244-M504 HydrophobicContact CD1-CE 4.09Å; M504-T506 PolarHBondContact O-N 3.38Å; M504-M712 HydrophobicContact CE-CB 4.15Å; M504-M712 HydrophobicContact CE-CG 3.35Å; M504-M712 HydrophobicContact CE-SD 3.39Å; M504-M712 WeakPolarHBondContact CE-SD 3.33Å |
| 505 | N | 70.7 | Confident | 73.5 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -0.2 | 174 | 68.5 | -38.6 | 0 | 0 | 0 | 114.1 | L485 T503 M712 | L485-N505 WeakPolarHBondContact CA-O 3.46Å; T503-N505 VanDerWaalsContact CB-OD1 3.24Å; T503-N505 WeakPolarHBondContact CB-OD1 3.22Å; T503-N505 PolarHBondContact O-N 3.44Å; T503-N505 VanDerWaalsContact O-N 3.16Å; T503-N505 PolarHBondContact OG1-OD1 2.96Å; N505-M712 HydrophobicContact CB-CB 3.98Å; N505-M712 WeakPolarHBondContact CB-O 3.46Å |
| 506 | T | 71.2 | Confident | 74 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 23% | 0.233 | 25% | 0.252 | C | S | . | . | trans | -128.1 | 106.6 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | M486 T503 M504 | M486-T506 HydrophobicContact CB-CG2 4.1Å; T503-T506 PolarHBondContact N-OG1 2.67Å; T503-T506 CarbonylContact O-C 3.55Å; T503-T506 WeakPolarHBondContact O-CA 3.49Å; T503-T506 PolarHBondContact O-N 3.42Å; T503-T506 PolarHBondContact O-OG1 3.44Å; T503-T506 PolarHBondContact OG1-OG1 2.92Å; M504-T506 PolarHBondContact O-N 3.38Å | ||
| 507 | F | 68.8 | Low | 74.5 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | trans | -121.9 | 143.6 | 172.2 | 51.4 | -96.9 | 0 | 0 | 0 | 109.3 | L485 L509 W698 | L485-F507 HydrophobicContact CD2-CD1 4.18Å; L485-F507 HydrophobicContact CD2-CE1 3.25Å; L485-F507 HydrophobicContact CD2-CZ 3.79Å; F507-L509 HydrophobicContact CD2-CD2 3.58Å; F507-L509 HydrophobicContact CD2-CG 3.85Å; F507-L509 HydrophobicContact CE2-CD1 4.14Å; F507-L509 HydrophobicContact CE2-CD2 3.49Å; F507-L509 VanDerWaalsContact CE2-CD2 3.49Å; F507-L509 HydrophobicContact CE2-CG 3.65Å; F507-W698 AromaticContact CD1-CD1 3.84Å; F507-W698 HydrophobicContact CD1-CG 4.2Å; F507-W698 HydrophobicContact CE1-CB 3.59Å; F507-W698 AromaticContact CE1-CD1 3.33Å; F507-W698 AromaticContact CE1-CD2 4Å; F507-W698 HydrophobicContact CE1-CD2 4Å; F507-W698 AromaticContact CE1-CG 3.35Å; F507-W698 HydrophobicContact CE1-CG 3.35Å; F507-W698 AromaticContact CE1-NE1 3.94Å; F507-W698 HydrophobicContact CE2-CB 4.41Å; F507-W698 AromaticContact CE2-CD1 3.91Å; F507-W698 HydrophobicContact CE2-CG 4.42Å; F507-W698 HydrophobicContact CZ-CB 3.37Å; F507-W698 AromaticContact CZ-CD1 3.4Å; F507-W698 VanDerWaalsContact CZ-CD1 3.4Å; F507-W698 AromaticContact CZ-CG 3.52Å; F507-W698 HydrophobicContact CZ-CG 3.52Å | ||
| 508 | S | 68.4 | Low | 75 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | trans | -71.2 | 129.1 | 165 | -58.6 | 0 | 0 | 0 | 0 | 108.3 | K694 | S508-K694 PolarHBondContact O-NZ 3.13Š| ||
| 509 | L | 68.9 | Low | 76 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | trans | -94.9 | 114.2 | 159.1 | -68.1 | -174.5 | 0 | 0 | 0 | 108.1 | Y487 F507 E691 K694 G695 | Y487-L509 HydrophobicContact CD2-CD1 4.16Å; Y487-L509 HydrophobicContact CE2-CD1 3.28Å; Y487-L509 HydrophobicContact CE2-CG 4.32Å; F507-L509 HydrophobicContact CD2-CD2 3.58Å; F507-L509 HydrophobicContact CD2-CG 3.85Å; F507-L509 HydrophobicContact CE2-CD1 4.14Å; F507-L509 HydrophobicContact CE2-CD2 3.49Å; F507-L509 VanDerWaalsContact CE2-CD2 3.49Å; F507-L509 HydrophobicContact CE2-CG 3.65Å; L509-E691 WeakPolarHBondContact CD2-O 3.48Å; L509-K694 HydrophobicContact CD2-CB 4.37Å; L509-K694 HydrophobicContact CD2-CD 4.24Å; L509-K694 HydrophobicContact CD2-CG 4.24Å; L509-G695 VanDerWaalsContact CD1-CA 3.42Å | ||
| 510 | D | 67.2 | Low | 77.2 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | trans | -75.4 | 157.8 | 166.3 | -148.9 | -55.3 | 0 | 0 | 0 | 110.4 | P493 R616 E691 | P493-D510 WeakPolarHBondContact CA-OD2 3.4Å; P493-D510 VanDerWaalsContact CB-OD2 3.3Å; P493-D510 WeakPolarHBondContact CB-OD2 3.2Å; D510-R616 IonicContact OD1-CZ 3.1Å; D510-R616 IonicContact OD1-NE 2.76Å; D510-R616 IonicContact OD1-NH1 3.99Å; D510-R616 IonicContact OD1-NH2 3.35Å; D510-R616 PolarHBondContact OD1-NH2 3.47Å; D510-R616 IonicContact OD2-CZ 2.66Å; D510-R616 IonicContact OD2-NH1 3.82Å; D510-R616 PolarHBondContact OD2-NH1 3.41Å; D510-R616 IonicContact OD2-NH2 3.64Å; D510-R616 PolarHBondContact OD2-NH2 3.01Å; D510-E691 HydrophobicContact CB-CB 3.9Å; D510-E691 HydrophobicContact CB-CG 3.63Å; D510-E691 PolarHBondContact N-OE2 3.06Å; D510-E691 WeakPolarHBondContact O-CB 3.36Å | ||
| 511 | Y | 67.2 | Low | 78.5 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -106.1 | 133.2 | 162.6 | 65.4 | -93.2 | 0 | 0 | 0 | 108.6 | K613 R616 | Y511-K613 WeakPolarHBondContact OH-CA 3.34Å; Y511-K613 PolarHBondContact OH-O 3.23Å; Y511-R616 VanDerWaalsContact OH-CB 3.32Å; Y511-R616 WeakPolarHBondContact OH-CB 2.99Å; Y511-R616 WeakPolarHBondContact OH-CD 3.46Å | ||
| 512 | A | 74.6 | Confident | 79.5 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -54 | 147.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 513 | C | 84.1 | Confident | 80.8 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 28% | 0.284 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 129.6 | 171 | -67.6 | 0 | 0 | 0 | 0 | 109.5 | K515 C620 | C513-K515 PolarHBondContact O-N 3.24Å; C513-C620 WeakPolarHBondContact CA-SG 3.38Å; C513-C620 HydrophobicContact CB-CB 3.64Å; C513-C620 WeakPolarHBondContact CB-SG 3.4Å; C513-C620 WeakPolarHBondContact SG-CB 3.35Å; C513-C620 CovalentContact SG-SG 2.04Å; C513-C620 PolarHBondContact SG-SG 3.14Å |
| 514 | P | 84.4 | Confident | 81.9 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 23% | 0.234 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 138.1 | -170.5 | 25 | -32.2 | 0 | 0 | 0 | 110.6 | V516 E617 F621 | P514-V516 HydrophobicContact CB-CG2 3.87Å; P514-V516 HydrophobicContact CG-CG2 4.11Å; P514-V516 PolarHBondContact O-N 3.43Å; P514-E617 HydrophobicContact CG-CG 4.09Å; P514-F621 HydrophobicContact CG-CE2 4.01Å; P514-F621 HydrophobicContact CG-CZ 3.86Å; P514-F621 WeakPolarHBondContact O-CZ 3.3Å |
| 515 | K | 84.2 | Confident | 83.2 | Confident | 211 Ų | 211 | 65.7 Ų | 65.7 | 92% | 0.917 | 36% | 0.356 | S | S | * | . | trans | -87.3 | 102.9 | 166.6 | -64.4 | -177.3 | -178.3 | -179.6 | 0 | 107.3 | C513 | C513-K515 PolarHBondContact O-N 3.24Š| ||
| 516 | V | 87.6 | Confident | 84.4 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 26% | 0.261 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 147 | -175.3 | -166.1 | 0 | 0 | 0 | 0 | 109.6 | P514 P595 A596 Q599 F621 | P514-V516 HydrophobicContact CB-CG2 3.87Å; P514-V516 HydrophobicContact CG-CG2 4.11Å; P514-V516 PolarHBondContact O-N 3.43Å; V516-P595 HydrophobicContact CB-CB 4.42Å; V516-P595 HydrophobicContact CG1-CB 4.05Å; V516-P595 HydrophobicContact CG2-CB 3.53Å; V516-A596 HydrophobicContact CG1-CB 3.8Å; V516-Q599 PolarHBondContact O-OE1 3.38Å; V516-F621 HydrophobicContact CG2-CZ 4.04Å |
| 517 | G | 88.9 | Confident | 85.7 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 518 | N | 90.7 | Very high | 87 | Confident | 158 Ų | 158 | 67.1 Ų | 67.1 | 85% | 0.845 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 157.9 | -179.8 | -66.2 | -14.1 | 0 | 0 | 0 | 112.3 | ||
| 519 | L | 94.3 | Very high | 88.3 | Confident | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 151 | 170.9 | -71 | 170.7 | 0 | 0 | 0 | 110.7 | Q524 V527 P593 A596 L597 H600 | L519-Q524 HydrophobicContact CB-CB 4.23Å; L519-V527 HydrophobicContact CD1-CG2 4.44Å; L519-P593 HydrophobicContact CD2-CG 4.01Å; L519-A596 HydrophobicContact CD2-CB 3.58Å; L519-A596 HydrophobicContact CG-CB 4.16Å; L519-L597 HydrophobicContact CD1-CD2 4.12Å; L519-L597 HydrophobicContact CD2-CD2 3.8Å; L519-L597 HydrophobicContact CD2-CG 3.85Å; L519-H600 HydrophobicContact CD1-CB 4.15Å |
| 520 | S | 95.1 | Very high | 89.4 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 43% | 0.434 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 155.1 | 166.8 | 70.3 | 0 | 0 | 0 | 0 | 109.9 | E522 Y523 Q524 | S520-E522 PolarHBondContact O-N 2.86Å; S520-E522 VanDerWaalsContact O-N 3.08Å; S520-Y523 PolarHBondContact O-N 3.36Å; S520-Y523 VanDerWaalsContact O-N 3.11Å; S520-Y523 WeakPolarHBondContact OG-CD2 3.33Å; S520-Q524 WeakPolarHBondContact O-CB 3.28Å; S520-Q524 PolarHBondContact O-N 3.49Å |
| 521 | H | 95.5 | Very high | 90.7 | Very high | 148 Ų | 148 | 75.3 Ų | 75.3 | 69% | 0.685 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -51 | -36.6 | 179.4 | -76.4 | -77.3 | 0 | 0 | 0 | 113.3 | Q524 N525 | H521-Q524 PolarHBondContact O-N 2.89Å; H521-N525 VanDerWaalsContact O-CB 3.31Å; H521-N525 WeakPolarHBondContact O-CB 3.49Å; H521-N525 PolarHBondContact O-N 3.02Å; H521-N525 PolarHBondContact O-ND2 3.16Å |
| 522 | E | 95.6 | Very high | 92.1 | Very high | 120 Ų | 120 | 72.1 Ų | 72.1 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.1 | -52.5 | 177.9 | -173.3 | -168 | 160.9 | 0 | 0 | 112.6 | S520 Q524 F526 K587 | S520-E522 PolarHBondContact O-N 2.86Å; S520-E522 VanDerWaalsContact O-N 3.08Å; E522-Q524 VanDerWaalsContact C-N 3.35Å; E522-F526 PolarHBondContact O-N 3.16Å; E522-K587 WeakPolarHBondContact OE1-CE 3.2Å; E522-K587 IonicContact OE1-NZ 3.31Å; E522-K587 PolarHBondContact OE1-NZ 2.67Å |
| 523 | Y | 96.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 76.4 Ų | 76.4 | 8% | 0.078 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 177.3 | -77.2 | -79.1 | 0 | 0 | 0 | 111.6 | S520 F526 V527 V570 K587 D589 P593 L597 | S520-Y523 PolarHBondContact O-N 3.36Å; S520-Y523 VanDerWaalsContact O-N 3.11Å; S520-Y523 WeakPolarHBondContact OG-CD2 3.33Å; Y523-F526 PolarHBondContact O-N 3.18Å; Y523-V527 VanDerWaalsContact O-CB 3.3Å; Y523-V527 WeakPolarHBondContact O-CB 3.11Å; Y523-V527 VanDerWaalsContact O-CG2 3.24Å; Y523-V527 WeakPolarHBondContact O-CG2 3.31Å; Y523-V527 PolarHBondContact O-N 2.91Å; Y523-V570 HydrophobicContact CE1-CG1 4.06Å; Y523-K587 HydrophobicContact CD1-CD 3.93Å; Y523-K587 HydrophobicContact CE1-CD 3.83Å; Y523-K587 HydrophobicContact CE1-CG 4.46Å; Y523-D589 VanDerWaalsContact CZ-OD2 3.27Å; Y523-D589 PolarHBondContact OH-OD2 3.42Å; Y523-P593 HydrophobicContact CD1-CG 4.37Å; Y523-P593 HydrophobicContact CD2-CG 3.66Å; Y523-P593 HydrophobicContact CE1-CG 4.32Å; Y523-P593 HydrophobicContact CE2-CG 3.61Å; Y523-P593 HydrophobicContact CG-CG 4.06Å; Y523-P593 WeakPolarHBondContact OH-CD 3.39Å; Y523-L597 HydrophobicContact CD1-CD1 4.5Å; Y523-L597 HydrophobicContact CD1-CD2 4.15Å; Y523-L597 HydrophobicContact CE1-CD1 4.49Å |
| 524 | Q | 96.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 74.5 Ų | 74.5 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 178.6 | -175.5 | 171.9 | 1 | 0 | 0 | 110.7 | L519 S520 H521 E522 F526 V527 E528 | L519-Q524 HydrophobicContact CB-CB 4.23Å; S520-Q524 WeakPolarHBondContact O-CB 3.28Å; S520-Q524 PolarHBondContact O-N 3.49Å; H521-Q524 PolarHBondContact O-N 2.89Å; E522-Q524 VanDerWaalsContact C-N 3.35Å; Q524-F526 VanDerWaalsContact C-N 3.27Å; Q524-F526 PolarHBondContact O-N 3.49Å; Q524-V527 PolarHBondContact O-N 3.04Å; Q524-E528 HydrophobicContact CG-CG 4.11Å; Q524-E528 WeakPolarHBondContact CG-OE2 3.38Å; Q524-E528 PolarHBondContact NE2-OE1 3.35Å; Q524-E528 PolarHBondContact NE2-OE2 3.26Å; Q524-E528 VanDerWaalsContact O-CB 3.28Å; Q524-E528 WeakPolarHBondContact O-CB 3.33Å; Q524-E528 WeakPolarHBondContact O-CG 3.35Å; Q524-E528 PolarHBondContact O-N 3.3Å |
| 525 | N | 96.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 72.8 Ų | 72.8 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.3 | -39.2 | 177.9 | -71.1 | -13.3 | 0 | 0 | 0 | 112.2 | H521 D529 | H521-N525 VanDerWaalsContact O-CB 3.31Å; H521-N525 WeakPolarHBondContact O-CB 3.49Å; H521-N525 PolarHBondContact O-N 3.02Å; H521-N525 PolarHBondContact O-ND2 3.16Å; N525-D529 PolarHBondContact O-N 3.45Å |
| 526 | F | 96.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 62.7 Ų | 62.7 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 177.7 | -178.6 | -98.4 | 0 | 0 | 0 | 112.7 | E522 Y523 Q524 R568 V570 N585 K587 | E522-F526 PolarHBondContact O-N 3.16Å; Y523-F526 PolarHBondContact O-N 3.18Å; Q524-F526 VanDerWaalsContact C-N 3.27Å; Q524-F526 PolarHBondContact O-N 3.49Å; F526-R568 HydrophobicContact CD1-CB 4.33Å; F526-R568 HydrophobicContact CE1-CB 3.77Å; F526-R568 HydrophobicContact CE1-CG 4.42Å; F526-R568 HydrophobicContact CZ-CB 4.13Å; F526-R568 WeakPolarHBondContact O-CD 3.48Å; F526-R568 WeakPolarHBondContact O-CG 3.46Å; F526-V570 HydrophobicContact CD1-CG2 3.92Å; F526-V570 HydrophobicContact CE1-CG2 3.7Å; F526-N585 WeakPolarHBondContact CZ-O 3.38Å; F526-K587 HydrophobicContact CB-CD 4.39Å; F526-K587 HydrophobicContact CD1-CB 3.93Å; F526-K587 HydrophobicContact CD1-CD 4.22Å; F526-K587 HydrophobicContact CD2-CB 4.18Å; F526-K587 HydrophobicContact CE1-CB 3.56Å; F526-K587 HydrophobicContact CE2-CB 3.84Å; F526-K587 HydrophobicContact CG-CB 4.22Å; F526-K587 HydrophobicContact CG-CD 4.14Å; F526-K587 HydrophobicContact CZ-CB 3.51Å |
| 527 | V | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.6 | -33.7 | -176.6 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | L519 Y523 Q524 D529 T535 L597 H600 K602 | L519-V527 HydrophobicContact CD1-CG2 4.44Å; Y523-V527 VanDerWaalsContact O-CB 3.3Å; Y523-V527 WeakPolarHBondContact O-CB 3.11Å; Y523-V527 VanDerWaalsContact O-CG2 3.24Å; Y523-V527 WeakPolarHBondContact O-CG2 3.31Å; Y523-V527 PolarHBondContact O-N 2.91Å; Q524-V527 PolarHBondContact O-N 3.04Å; V527-D529 VanDerWaalsContact C-N 3.33Å; V527-T535 HydrophobicContact CG2-CG2 4.1Å; V527-L597 HydrophobicContact CG2-CD2 3.88Å; V527-H600 VanDerWaalsContact CG1-ND1 3.31Å; V527-H600 WeakPolarHBondContact CG1-ND1 3.01Å; V527-K602 HydrophobicContact CG1-CB 3.72Å; V527-K602 HydrophobicContact CG1-CG 4.39Å |
| 528 | E | 96.5 | Very high | 96 | Very high | 86 Ų | 86 | 58.2 Ų | 58.2 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.6 | -177.6 | -65.5 | -172.6 | 150.8 | 0 | 0 | 113.8 | Q524 P530 H600 | Q524-E528 HydrophobicContact CG-CG 4.11Å; Q524-E528 WeakPolarHBondContact CG-OE2 3.38Å; Q524-E528 PolarHBondContact NE2-OE1 3.35Å; Q524-E528 PolarHBondContact NE2-OE2 3.26Å; Q524-E528 VanDerWaalsContact O-CB 3.28Å; Q524-E528 WeakPolarHBondContact O-CB 3.33Å; Q524-E528 WeakPolarHBondContact O-CG 3.35Å; Q524-E528 PolarHBondContact O-N 3.3Å; E528-P530 WeakPolarHBondContact O-CD 3.46Å; E528-P530 VanDerWaalsContact O-N 3.13Å; E528-H600 IonicContact OE1-CE1 3.46Å; E528-H600 IonicContact OE1-NE2 3.39Å; E528-H600 PolarHBondContact OE1-NE2 3.15Å |
| 529 | D | 95 | Very high | 96.4 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | trans | -49 | 121 | 177.3 | -171.6 | -57.5 | 0 | 0 | 0 | 111.1 | N525 V527 S531 S532 R568 | N525-D529 PolarHBondContact O-N 3.45Å; V527-D529 VanDerWaalsContact C-N 3.33Å; D529-S531 PolarHBondContact O-N 3.44Å; D529-S531 VanDerWaalsContact O-N 3.12Å; D529-S531 VanDerWaalsContact OD1-CB 3.32Å; D529-S531 WeakPolarHBondContact OD1-CB 3.38Å; D529-S531 PolarHBondContact OD1-N 3.39Å; D529-S531 PolarHBondContact OD1-OG 2.87Å; D529-S532 WeakPolarHBondContact O-CB 3.41Å; D529-S532 PolarHBondContact O-N 3.1Å; D529-R568 IonicContact OD1-NH2 3.54Å; D529-R568 IonicContact OD2-CZ 3.21Å; D529-R568 IonicContact OD2-NE 3.75Å; D529-R568 IonicContact OD2-NH1 3.87Å; D529-R568 IonicContact OD2-NH2 2.62Å; D529-R568 PolarHBondContact OD2-NH2 3.26Å | ||
| 530 | P | 94.1 | Very high | 96.4 | Very high | 128 Ų | 128 | 50.5 Ų | 50.5 | 83% | 0.831 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.3 | -175 | -26.5 | 34.7 | 0 | 0 | 0 | 114.7 | E528 S532 | E528-P530 WeakPolarHBondContact O-CD 3.46Å; E528-P530 VanDerWaalsContact O-N 3.13Å; P530-S532 VanDerWaalsContact C-N 3.27Å; P530-S532 PolarHBondContact O-N 3.42Å |
| 531 | S | 93.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.7 | 176.8 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | D529 R568 | D529-S531 PolarHBondContact O-N 3.44Å; D529-S531 VanDerWaalsContact O-N 3.12Å; D529-S531 VanDerWaalsContact OD1-CB 3.32Å; D529-S531 WeakPolarHBondContact OD1-CB 3.38Å; D529-S531 PolarHBondContact OD1-N 3.39Å; D529-S531 PolarHBondContact OD1-OG 2.87Å; S531-R568 PolarHBondContact OG-NH2 3.18Å |
| 532 | S | 95.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | trans | -81.2 | 129.8 | -175.5 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | D529 P530 G534 R568 | D529-S532 WeakPolarHBondContact O-CB 3.41Å; D529-S532 PolarHBondContact O-N 3.1Å; P530-S532 VanDerWaalsContact C-N 3.27Å; P530-S532 PolarHBondContact O-N 3.42Å; S532-G534 PolarHBondContact O-N 3.43Å; S532-G534 PolarHBondContact OG-N 3.31Å; S532-G534 VanDerWaalsContact OG-N 3.1Å; S532-G534 PolarHBondContact OG-O 3.05Å; S532-R568 WeakPolarHBondContact OG-CG 3.33Å; S532-R568 PolarHBondContact OG-N 2.87Å | ||
| 533 | K | 96.2 | Very high | 95.2 | Very high | 146 Ų | 146 | 48.4 Ų | 48.4 | 64% | 0.635 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -74 | -13.4 | 169 | -65.4 | -169.4 | -175.9 | 179.2 | 0 | 113 | Q566 Y567 | K533-Q566 HydrophobicContact CD-CB 4.21Å; K533-Q566 HydrophobicContact CD-CG 3.89Å; K533-Q566 HydrophobicContact CG-CB 4.31Å; K533-Q566 HydrophobicContact CG-CG 4.37Å; K533-Q566 PolarHBondContact N-O 2.74Å; K533-Y567 HydrophobicContact CB-CD1 3.93Å; K533-Y567 HydrophobicContact CB-CE1 3.57Å |
| 534 | G | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | 153 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S532 Y567 R568 K602 | S532-G534 PolarHBondContact O-N 3.43Å; S532-G534 PolarHBondContact OG-N 3.31Å; S532-G534 VanDerWaalsContact OG-N 3.1Å; S532-G534 PolarHBondContact OG-O 3.05Å; G534-Y567 WeakPolarHBondContact O-CA 3.45Å; G534-R568 PolarHBondContact O-N 2.8Å; G534-K602 CarbonylContact C-O 3.49Å; G534-K602 WeakPolarHBondContact CA-O 3.5Å | ||
| 535 | T | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.6 | -174.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | V527 V537 R568 V570 K602 T603 I604 | V527-T535 HydrophobicContact CG2-CG2 4.1Å; T535-V537 HydrophobicContact CG2-CG2 4.21Å; T535-R568 CarbonylContact C-O 3.58Å; T535-R568 VanDerWaalsContact CA-O 3.25Å; T535-R568 WeakPolarHBondContact CA-O 3.42Å; T535-R568 HydrophobicContact CG2-CB 4.49Å; T535-V570 HydrophobicContact CG2-CG2 4.09Å; T535-K602 PolarHBondContact N-O 3.42Å; T535-T603 WeakPolarHBondContact O-CA 3.11Å; T535-I604 WeakPolarHBondContact O-CG1 2.71Å; T535-I604 PolarHBondContact O-N 3.48Å |
| 536 | I | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.9 | 169.6 | -55.2 | 176.2 | 0 | 0 | 0 | 107.1 | L564 Y567 R568 I569 V570 L605 I607 L668 | I536-L564 HydrophobicContact CD1-CD1 3.95Å; I536-Y567 HydrophobicContact CD1-CG 4.39Å; I536-R568 PolarHBondContact N-O 3.19Å; I536-I569 HydrophobicContact CB-CG1 4.31Å; I536-I569 HydrophobicContact CD1-CG1 4.49Å; I536-I569 CarbonylContact O-C 3.51Å; I536-I569 WeakPolarHBondContact O-CA 3.38Å; I536-V570 PolarHBondContact O-N 3.28Å; I536-L605 WeakPolarHBondContact CA-O 3.49Å; I536-L605 HydrophobicContact CD1-CD2 4.38Å; I536-L605 HydrophobicContact CG1-CB 4.23Å; I536-L605 HydrophobicContact CG1-CD2 4.41Å; I536-L605 HydrophobicContact CG2-CB 4.24Å; I536-L605 HydrophobicContact CG2-CD2 4.03Å; I536-L605 HydrophobicContact CG2-CG 4.16Å; I536-I607 HydrophobicContact CG2-CD1 3.7Å; I536-I607 HydrophobicContact CG2-CG1 3.9Å; I536-L668 HydrophobicContact CD1-CD1 4.06Å |
| 537 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.3 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | T535 V570 I592 L594 L597 T603 L605 F606 I607 | T535-V537 HydrophobicContact CG2-CG2 4.21Å; V537-V570 CarbonylContact C-O 3.5Å; V537-V570 WeakPolarHBondContact CA-O 3.4Å; V537-I592 HydrophobicContact CG1-CD1 3.67Å; V537-L594 HydrophobicContact CG1-CD1 3.58Å; V537-L597 HydrophobicContact CG2-CB 4.01Å; V537-T603 HydrophobicContact CG2-CG2 3.75Å; V537-L605 PolarHBondContact N-O 3.27Å; V537-F606 HydrophobicContact CB-CD2 4.18Å; V537-F606 HydrophobicContact CG1-CD2 4.13Å; V537-F606 HydrophobicContact CG1-CE2 4.33Å; V537-F606 CarbonylContact O-C 3.48Å; V537-F606 WeakPolarHBondContact O-CA 3.19Å; V537-F606 WeakPolarHBondContact O-CD2 3.27Å; V537-I607 PolarHBondContact O-N 3Å |
| 538 | F | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 110 | 179.3 | -174.1 | -157.1 | 0 | 0 | 0 | 110 | F540 W546 I557 F561 V570 W571 Q572 I607 F660 | F538-F540 HydrophobicContact CD2-CD2 4.23Å; F538-F540 AromaticContact CD2-CE2 3.88Å; F538-F540 HydrophobicContact CD2-CE2 3.88Å; F538-F540 AromaticContact CE2-CD2 3.86Å; F538-F540 HydrophobicContact CE2-CD2 3.86Å; F538-F540 AromaticContact CE2-CE2 3.2Å; F538-F540 HydrophobicContact CE2-CE2 3.2Å; F538-F540 AromaticContact CE2-CZ 3.55Å; F538-F540 HydrophobicContact CE2-CZ 3.55Å; F538-F540 HydrophobicContact CZ-CE2 4.08Å; F538-F540 HydrophobicContact CZ-CZ 4.02Å; F538-W546 AromaticContact CE1-CH2 3.77Å; F538-W546 HydrophobicContact CE1-CH2 3.77Å; F538-W546 AromaticContact CE1-CZ2 3.95Å; F538-W546 HydrophobicContact CE1-CZ2 3.95Å; F538-W546 HydrophobicContact CE2-CH2 4.36Å; F538-W546 HydrophobicContact CE2-CZ2 4.32Å; F538-W546 AromaticContact CZ-CH2 3.5Å; F538-W546 HydrophobicContact CZ-CH2 3.5Å; F538-W546 AromaticContact CZ-CZ2 3.79Å; F538-W546 HydrophobicContact CZ-CZ2 3.79Å; F538-I557 HydrophobicContact CD1-CG2 4.22Å; F538-I557 HydrophobicContact CE1-CD1 4.07Å; F538-I557 HydrophobicContact CE1-CG2 3.47Å; F538-I557 VanDerWaalsContact CE1-CG2 3.47Å; F538-I557 HydrophobicContact CZ-CD1 3.89Å; F538-I557 HydrophobicContact CZ-CG2 4.17Å; F538-F561 HydrophobicContact CB-CZ 4.27Å; F538-F561 AromaticContact CD1-CE2 3.74Å; F538-F561 HydrophobicContact CD1-CE2 3.74Å; F538-F561 AromaticContact CD1-CZ 3.53Å; F538-F561 HydrophobicContact CD1-CZ 3.53Å; F538-F561 HydrophobicContact CE1-CE2 4.22Å; F538-F561 HydrophobicContact CE1-CZ 4.07Å; F538-F561 HydrophobicContact CG-CZ 4.14Å; F538-V570 PolarHBondContact N-O 2.88Å; F538-W571 HydrophobicContact CB-CB 4.43Å; F538-W571 HydrophobicContact CB-CG 4.3Å; F538-W571 HydrophobicContact CD1-CB 4.47Å; F538-W571 AromaticContact CD1-CD1 3.27Å; F538-W571 AromaticContact CD1-CD2 3.7Å; F538-W571 HydrophobicContact CD1-CD2 3.7Å; F538-W571 AromaticContact CD1-CE2 3.49Å; F538-W571 VanDerWaalsContact CD1-CE2 3.49Å; F538-W571 AromaticContact CD1-CG 3.6Å; F538-W571 HydrophobicContact CD1-CG 3.6Å; F538-W571 HydrophobicContact CD1-CZ2 4.19Å; F538-W571 AromaticContact CD1-NE1 3.23Å; F538-W571 AromaticContact CE1-CD1 3.94Å; F538-W571 HydrophobicContact CE1-CD2 4.1Å; F538-W571 AromaticContact CE1-CE2 3.46Å; F538-W571 VanDerWaalsContact CE1-CE2 3.46Å; F538-W571 HydrophobicContact CE1-CG 4.4Å; F538-W571 AromaticContact CE1-CZ2 3.71Å; F538-W571 HydrophobicContact CE1-CZ2 3.71Å; F538-W571 AromaticContact CE1-NE1 3.38Å; F538-W571 AromaticContact CG-CD1 3.8Å; F538-W571 HydrophobicContact CG-CG 4.31Å; F538-Q572 PolarHBondContact O-N 2.89Å; F538-I607 WeakPolarHBondContact CA-O 3.5Å; F538-I607 HydrophobicContact CB-CB 4.24Å; F538-I607 HydrophobicContact CD2-CB 3.44Å; F538-I607 VanDerWaalsContact CD2-CB 3.44Å; F538-I607 HydrophobicContact CD2-CG2 3.38Å; F538-I607 WeakPolarHBondContact CD2-O 3.42Å; F538-I607 HydrophobicContact CE2-CB 3.97Å; F538-I607 HydrophobicContact CE2-CG2 3.33Å; F538-I607 HydrophobicContact CG-CB 4.09Å; F538-I607 HydrophobicContact CG-CG2 4.31Å; F538-I607 HydrophobicContact CZ-CG2 4.3Å; F538-F660 HydrophobicContact CZ-CZ 4.36Å |
| 539 | S | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 130.4 | -179.4 | 169.8 | 0 | 0 | 0 | 0 | 112.9 | G541 Q572 I607 | S539-G541 PolarHBondContact OG-N 3.42Å; S539-Q572 PolarHBondContact OG-OE1 3.48Å; S539-I607 PolarHBondContact N-O 3.41Å |
| 540 | F | 95.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | trans | -105.7 | 18.1 | 178.4 | -75.9 | -164.5 | 0 | 0 | 0 | 113.4 | F538 A544 W546 T608 H609 I628 L630 | F538-F540 HydrophobicContact CD2-CD2 4.23Å; F538-F540 AromaticContact CD2-CE2 3.88Å; F538-F540 HydrophobicContact CD2-CE2 3.88Å; F538-F540 AromaticContact CE2-CD2 3.86Å; F538-F540 HydrophobicContact CE2-CD2 3.86Å; F538-F540 AromaticContact CE2-CE2 3.2Å; F538-F540 HydrophobicContact CE2-CE2 3.2Å; F538-F540 AromaticContact CE2-CZ 3.55Å; F538-F540 HydrophobicContact CE2-CZ 3.55Å; F538-F540 HydrophobicContact CZ-CE2 4.08Å; F538-F540 HydrophobicContact CZ-CZ 4.02Å; F540-A544 HydrophobicContact CB-CB 3.43Å; F540-A544 VanDerWaalsContact CB-CB 3.43Å; F540-A544 HydrophobicContact CD1-CB 4.31Å; F540-A544 HydrophobicContact CG-CB 4.41Å; F540-A544 WeakPolarHBondContact O-CB 3.48Å; F540-W546 HydrophobicContact CD1-CH2 4.16Å; F540-W546 AromaticContact CD1-CZ2 3.85Å; F540-W546 HydrophobicContact CD1-CZ2 3.85Å; F540-W546 AromaticContact CE1-CH2 3.99Å; F540-W546 HydrophobicContact CE1-CH2 3.99Å; F540-W546 HydrophobicContact CE1-CZ2 4.11Å; F540-W546 HydrophobicContact CG-CZ2 4.06Å; F540-W546 HydrophobicContact CZ-CH2 4.44Å; F540-T608 VanDerWaalsContact CE2-C 3.42Å; F540-H609 VanDerWaalsContact C-ND1 3.31Å; F540-H609 VanDerWaalsContact CA-ND1 3.34Å; F540-H609 WeakPolarHBondContact CA-ND1 3.37Å; F540-H609 HydrophobicContact CB-CB 4.34Å; F540-H609 HydrophobicContact CD1-CB 4.35Å; F540-H609 HydrophobicContact CD2-CB 4.08Å; F540-H609 HydrophobicContact CE2-CB 4.44Å; F540-H609 HydrophobicContact CG-CB 4.03Å; F540-H609 PolarHBondContact O-CE1 3.42Å; F540-H609 PolarHBondContact O-ND1 3.02Å; F540-H609 PolarHBondContact O-NE2 3.34Å; F540-I628 HydrophobicContact CE1-CB 4.45Å; F540-I628 HydrophobicContact CZ-CB 3.75Å; F540-I628 HydrophobicContact CZ-CD1 3.85Å; F540-I628 HydrophobicContact CZ-CG1 4.32Å; F540-I628 HydrophobicContact CZ-CG2 4.28Å; F540-L630 HydrophobicContact CD1-CD1 4.01Å; F540-L630 HydrophobicContact CD1-CD2 4.4Å; F540-L630 HydrophobicContact CD1-CG 4.45Å; F540-L630 HydrophobicContact CE1-CD2 4.16Å | ||
| 541 | G | 89.6 | Confident | 93.7 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | 69.7 | -162.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S539 Q572 | S539-G541 PolarHBondContact OG-N 3.42Å; G541-Q572 PolarHBondContact O-NE2 3.06Å; G541-Q572 VanDerWaalsContact O-NE2 3.17Å | ||
| 542 | H | 85.3 | Confident | 93.7 | Very high | 149 Ų | 149 | 51.3 Ų | 51.3 | 69% | 0.69 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -90.3 | -18 | -172.2 | 67.4 | -81.2 | 0 | 0 | 0 | 114.2 | W591 | H542-W591 HydrophobicContact CB-CH2 4.3Å; H542-W591 HydrophobicContact CB-CZ3 4.06Å |
| 543 | L | 85.8 | Confident | 93.6 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 62% | 0.618 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -90.5 | -11.2 | -177.9 | -65 | 178.9 | 0 | 0 | 0 | 113.5 | F631 | L543-F631 HydrophobicContact CD1-CZ 4.35Š|
| 544 | A | 87.4 | Confident | 93.6 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | trans | -95.3 | 104.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F540 L630 | F540-A544 HydrophobicContact CB-CB 3.43Å; F540-A544 VanDerWaalsContact CB-CB 3.43Å; F540-A544 HydrophobicContact CD1-CB 4.31Å; F540-A544 HydrophobicContact CG-CB 4.41Å; F540-A544 WeakPolarHBondContact O-CB 3.48Å; A544-L630 HydrophobicContact CB-CD1 3.72Å | ||
| 545 | D | 92.1 | Very high | 93.4 | Very high | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | trans | -88.1 | 115.7 | 172.2 | -174.3 | 4.5 | 0 | 0 | 0 | 110.4 | Q547 G548 N574 | D545-Q547 PolarHBondContact O-N 2.73Å; D545-Q547 WeakPolarHBondContact OD1-CB 3.37Å; D545-Q547 WeakPolarHBondContact OD1-CG 3.47Å; D545-Q547 PolarHBondContact OD1-N 2.73Å; D545-G548 PolarHBondContact O-N 3.35Å; D545-N574 PolarHBondContact OD1-ND2 3.22Å | ||
| 546 | W | 94 | Very high | 93.3 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -69.5 | -16 | 178.3 | -73.2 | 98.4 | 0 | 0 | 0 | 113.4 | F538 F540 G548 A549 I554 I557 W571 Q572 F573 N574 | F538-W546 AromaticContact CE1-CH2 3.77Å; F538-W546 HydrophobicContact CE1-CH2 3.77Å; F538-W546 AromaticContact CE1-CZ2 3.95Å; F538-W546 HydrophobicContact CE1-CZ2 3.95Å; F538-W546 HydrophobicContact CE2-CH2 4.36Å; F538-W546 HydrophobicContact CE2-CZ2 4.32Å; F538-W546 AromaticContact CZ-CH2 3.5Å; F538-W546 HydrophobicContact CZ-CH2 3.5Å; F538-W546 AromaticContact CZ-CZ2 3.79Å; F538-W546 HydrophobicContact CZ-CZ2 3.79Å; F540-W546 HydrophobicContact CD1-CH2 4.16Å; F540-W546 AromaticContact CD1-CZ2 3.85Å; F540-W546 HydrophobicContact CD1-CZ2 3.85Å; F540-W546 AromaticContact CE1-CH2 3.99Å; F540-W546 HydrophobicContact CE1-CH2 3.99Å; F540-W546 HydrophobicContact CE1-CZ2 4.11Å; F540-W546 HydrophobicContact CG-CZ2 4.06Å; F540-W546 HydrophobicContact CZ-CH2 4.44Å; W546-G548 PolarHBondContact O-N 2.82Å; W546-A549 HydrophobicContact CE3-CB 3.98Å; W546-A549 WeakPolarHBondContact O-CB 3.19Å; W546-A549 PolarHBondContact O-N 2.86Å; W546-I554 HydrophobicContact CE3-CG1 4.19Å; W546-I554 HydrophobicContact CZ3-CG1 4.48Å; W546-I557 HydrophobicContact CH2-CD1 4.03Å; W546-I557 HydrophobicContact CZ3-CD1 4.07Å; W546-W571 AromaticContact CE2-NE1 3.65Å; W546-W571 HydrophobicContact CE3-CZ2 4.31Å; W546-W571 HydrophobicContact CH2-CZ2 4.04Å; W546-W571 HydrophobicContact CZ2-CZ2 4.26Å; W546-W571 AromaticContact CZ2-NE1 3.47Å; W546-W571 HydrophobicContact CZ3-CZ2 4.06Å; W546-W571 AromaticContact NE1-NE1 3.93Å; W546-Q572 PolarHBondContact NE1-O 3.12Å; W546-Q572 VanDerWaalsContact NE1-O 3.08Å; W546-F573 HydrophobicContact CB-CD2 3.65Å; W546-F573 HydrophobicContact CB-CE2 3.54Å; W546-F573 HydrophobicContact CB-CZ 4.35Å; W546-F573 AromaticContact CD1-CD2 3.81Å; W546-F573 AromaticContact CD2-CD2 3.58Å; W546-F573 HydrophobicContact CD2-CD2 3.58Å; W546-F573 AromaticContact CD2-CE2 3.86Å; W546-F573 HydrophobicContact CD2-CE2 3.86Å; W546-F573 HydrophobicContact CE3-CD2 4.07Å; W546-F573 AromaticContact CE3-CE2 3.94Å; W546-F573 HydrophobicContact CE3-CE2 3.94Å; W546-F573 AromaticContact CG-CD2 3.38Å; W546-F573 HydrophobicContact CG-CD2 3.38Å; W546-F573 AromaticContact CG-CE2 3.71Å; W546-F573 HydrophobicContact CG-CE2 3.71Å; W546-F573 HydrophobicContact CG-CG 4.34Å; W546-N574 WeakPolarHBondContact CB-OD1 3.5Å; W546-N574 PolarHBondContact N-OD1 2.9Å |
| 547 | Q | 92 | Very high | 93.1 | Very high | 143 Ų | 143 | 51.6 Ų | 51.6 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -66.2 | -28.5 | 173.5 | -62.2 | 179.1 | 26.5 | 0 | 0 | 112.2 | D545 N574 | D545-Q547 PolarHBondContact O-N 2.73Å; D545-Q547 WeakPolarHBondContact OD1-CB 3.37Å; D545-Q547 WeakPolarHBondContact OD1-CG 3.47Å; D545-Q547 PolarHBondContact OD1-N 2.73Å; Q547-N574 PolarHBondContact NE2-O 2.98Å |
| 548 | G | 91.2 | Very high | 93 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -88.2 | -0.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D545 W546 | D545-G548 PolarHBondContact O-N 3.35Å; W546-G548 PolarHBondContact O-N 2.82Å |
| 549 | A | 92.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 53 Ų | 53 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -81.3 | 142.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W546 V551 I554 | W546-A549 HydrophobicContact CE3-CB 3.98Å; W546-A549 WeakPolarHBondContact O-CB 3.19Å; W546-A549 PolarHBondContact O-N 2.86Å; A549-V551 PolarHBondContact O-N 3Å; A549-I554 HydrophobicContact CB-CD1 4.2Å; A549-I554 HydrophobicContact CB-CG1 4.24Å |
| 550 | P | 94 | Very high | 92.7 | Very high | 74 Ų | 74 | 53 Ų | 53 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | trans | -57.9 | 136.2 | 175.4 | -22.9 | 32.8 | 0 | 0 | 0 | 111.8 | E552 I553 I554 | P550-E552 WeakPolarHBondContact CB-OE2 3.35Å; P550-E552 PolarHBondContact O-N 3.31Å; P550-I553 HydrophobicContact CB-CB 4.42Å; P550-I553 HydrophobicContact CB-CG1 3.96Å; P550-I553 HydrophobicContact CG-CG1 4.19Å; P550-I553 WeakPolarHBondContact O-CB 3.42Å; P550-I553 PolarHBondContact O-N 3.44Å; P550-I553 VanDerWaalsContact O-N 3.08Å; P550-I554 PolarHBondContact O-N 3.02Å | ||
| 551 | V | 93.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | -176.4 | 174.8 | 0 | 0 | 0 | 0 | 111 | A549 I553 I554 Q555 M579 | A549-V551 PolarHBondContact O-N 3Å; V551-I553 PolarHBondContact O-N 2.75Å; V551-I554 PolarHBondContact O-N 3.44Å; V551-Q555 HydrophobicContact CG1-CG 4.22Å; V551-Q555 WeakPolarHBondContact O-CB 3.02Å; V551-Q555 WeakPolarHBondContact O-CG 3.44Å; V551-Q555 PolarHBondContact O-N 3.25Å; V551-M579 HydrophobicContact CG1-CE 4.35Å; V551-M579 HydrophobicContact CG1-SD 4.34Å; V551-M579 HydrophobicContact CG2-CE 4.23Å |
| 552 | E | 93.8 | Very high | 92.9 | Very high | 134 Ų | 134 | 56.2 Ų | 56.2 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.2 | -36.6 | 178.8 | -57 | 75.7 | -164.9 | 0 | 0 | 111.4 | P550 A556 | P550-E552 WeakPolarHBondContact CB-OE2 3.35Å; P550-E552 PolarHBondContact O-N 3.31Å; E552-A556 WeakPolarHBondContact O-CB 3.41Å; E552-A556 PolarHBondContact O-N 3.29Å |
| 553 | I | 94.6 | Very high | 93.3 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.4 | -44.6 | 178.6 | -63.5 | -70.3 | 0 | 0 | 0 | 110.5 | P550 V551 Q555 A556 I557 L655 | P550-I553 HydrophobicContact CB-CB 4.42Å; P550-I553 HydrophobicContact CB-CG1 3.96Å; P550-I553 HydrophobicContact CG-CG1 4.19Å; P550-I553 WeakPolarHBondContact O-CB 3.42Å; P550-I553 PolarHBondContact O-N 3.44Å; P550-I553 VanDerWaalsContact O-N 3.08Å; V551-I553 PolarHBondContact O-N 2.75Å; I553-Q555 VanDerWaalsContact C-N 3.33Å; I553-Q555 PolarHBondContact O-N 3.37Å; I553-A556 PolarHBondContact O-N 3.4Å; I553-I557 HydrophobicContact CG2-CD1 3.91Å; I553-I557 WeakPolarHBondContact O-CD1 3.37Å; I553-I557 VanDerWaalsContact O-CG1 3.26Å; I553-I557 WeakPolarHBondContact O-CG1 3.3Å; I553-I557 PolarHBondContact O-N 3.36Å; I553-L655 HydrophobicContact CD1-CB 3.83Å; I553-L655 HydrophobicContact CG2-CD2 4.02Å |
| 554 | I | 95.2 | Very high | 93.8 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.9 | -62 | 172.9 | 0 | 0 | 0 | 110 | W546 A549 P550 V551 I557 S558 W571 F573 M579 V580 | W546-I554 HydrophobicContact CE3-CG1 4.19Å; W546-I554 HydrophobicContact CZ3-CG1 4.48Å; A549-I554 HydrophobicContact CB-CD1 4.2Å; A549-I554 HydrophobicContact CB-CG1 4.24Å; P550-I554 PolarHBondContact O-N 3.02Å; V551-I554 PolarHBondContact O-N 3.44Å; I554-I557 PolarHBondContact O-N 3.27Å; I554-S558 WeakPolarHBondContact O-CB 3.33Å; I554-S558 PolarHBondContact O-N 2.99Å; I554-W571 HydrophobicContact CG2-CH2 4.22Å; I554-F573 HydrophobicContact CD1-CE2 4.19Å; I554-F573 HydrophobicContact CD1-CZ 4.31Å; I554-F573 HydrophobicContact CG1-CE2 4.42Å; I554-F573 HydrophobicContact CG2-CE2 4.13Å; I554-F573 HydrophobicContact CG2-CZ 4.14Å; I554-M579 HydrophobicContact CG2-CB 4.38Å; I554-V580 HydrophobicContact CG2-CG1 3.57Å |
| 555 | Q | 94.1 | Very high | 94.1 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.5 | -72.4 | 177.7 | -11 | 0 | 0 | 112.1 | V551 I553 I557 S558 A559 | V551-Q555 HydrophobicContact CG1-CG 4.22Å; V551-Q555 WeakPolarHBondContact O-CB 3.02Å; V551-Q555 WeakPolarHBondContact O-CG 3.44Å; V551-Q555 PolarHBondContact O-N 3.25Å; I553-Q555 VanDerWaalsContact C-N 3.33Å; I553-Q555 PolarHBondContact O-N 3.37Å; Q555-I557 VanDerWaalsContact C-N 3.33Å; Q555-I557 PolarHBondContact O-N 2.95Å; Q555-S558 PolarHBondContact O-N 2.99Å; Q555-A559 VanDerWaalsContact O-CB 3.28Å; Q555-A559 WeakPolarHBondContact O-CB 3.2Å; Q555-A559 PolarHBondContact O-N 3.42Å |
| 556 | A | 94.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E552 I553 A560 | E552-A556 WeakPolarHBondContact O-CB 3.41Å; E552-A556 PolarHBondContact O-N 3.29Å; I553-A556 PolarHBondContact O-N 3.4Å; A556-A560 WeakPolarHBondContact O-CB 3.33Å; A556-A560 PolarHBondContact O-N 2.96Å; A556-A560 VanDerWaalsContact O-N 3.12Å |
| 557 | I | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 176.2 | -65.9 | 162.5 | 0 | 0 | 0 | 110.5 | F538 W546 I553 I554 Q555 A559 A560 F561 W571 L655 F660 | F538-I557 HydrophobicContact CD1-CG2 4.22Å; F538-I557 HydrophobicContact CE1-CD1 4.07Å; F538-I557 HydrophobicContact CE1-CG2 3.47Å; F538-I557 VanDerWaalsContact CE1-CG2 3.47Å; F538-I557 HydrophobicContact CZ-CD1 3.89Å; F538-I557 HydrophobicContact CZ-CG2 4.17Å; W546-I557 HydrophobicContact CH2-CD1 4.03Å; W546-I557 HydrophobicContact CZ3-CD1 4.07Å; I553-I557 HydrophobicContact CG2-CD1 3.91Å; I553-I557 WeakPolarHBondContact O-CD1 3.37Å; I553-I557 VanDerWaalsContact O-CG1 3.26Å; I553-I557 WeakPolarHBondContact O-CG1 3.3Å; I553-I557 PolarHBondContact O-N 3.36Å; I554-I557 PolarHBondContact O-N 3.27Å; Q555-I557 VanDerWaalsContact C-N 3.33Å; Q555-I557 PolarHBondContact O-N 2.95Å; I557-A559 VanDerWaalsContact C-N 3.34Å; I557-A559 PolarHBondContact O-N 3.16Å; I557-A560 WeakPolarHBondContact O-CB 3.37Å; I557-A560 PolarHBondContact O-N 2.81Å; I557-A560 VanDerWaalsContact O-N 3.12Å; I557-F561 HydrophobicContact CG2-CD2 3.99Å; I557-F561 HydrophobicContact CG2-CE1 4.45Å; I557-F561 HydrophobicContact CG2-CE2 3.47Å; I557-F561 VanDerWaalsContact CG2-CE2 3.47Å; I557-F561 HydrophobicContact CG2-CZ 3.74Å; I557-F561 PolarHBondContact O-N 3.23Å; I557-W571 HydrophobicContact CB-CH2 4.33Å; I557-W571 HydrophobicContact CG2-CH2 3.86Å; I557-W571 HydrophobicContact CG2-CZ2 4.18Å; I557-W571 HydrophobicContact CG2-CZ3 4.21Å; I557-L655 HydrophobicContact CD1-CD2 4.02Å; I557-L655 HydrophobicContact CG1-CD2 3.86Å; I557-F660 HydrophobicContact CB-CD1 4.28Å; I557-F660 HydrophobicContact CB-CE1 4.02Å; I557-F660 HydrophobicContact CG1-CD1 4.1Å; I557-F660 HydrophobicContact CG1-CE1 3.98Å; I557-F660 HydrophobicContact CG1-CZ 4.31Å; I557-F660 HydrophobicContact CG2-CD1 4.23Å; I557-F660 HydrophobicContact CG2-CE1 3.5Å; I557-F660 HydrophobicContact CG2-CZ 4.04Å |
| 558 | S | 94.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.6 | -47.4 | 178.5 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | I554 Q555 A560 F561 E562 K583 | I554-S558 WeakPolarHBondContact O-CB 3.33Å; I554-S558 PolarHBondContact O-N 2.99Å; Q555-S558 PolarHBondContact O-N 2.99Å; S558-A560 VanDerWaalsContact C-N 3.3Å; S558-A560 PolarHBondContact O-N 3.17Å; S558-F561 PolarHBondContact O-N 3.38Å; S558-E562 PolarHBondContact O-N 2.92Å; S558-K583 PolarHBondContact OG-NZ 2.95Å |
| 559 | A | 94.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.1 | -20.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q555 I557 R657 | Q555-A559 VanDerWaalsContact O-CB 3.28Å; Q555-A559 WeakPolarHBondContact O-CB 3.2Å; Q555-A559 PolarHBondContact O-N 3.42Å; I557-A559 VanDerWaalsContact C-N 3.34Å; I557-A559 PolarHBondContact O-N 3.16Å; A559-R657 HydrophobicContact CB-CG 4.03Å; A559-R657 PolarHBondContact O-NE 3.25Å; A559-R657 VanDerWaalsContact O-NE 3.13Å |
| 560 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.4 | -37.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A556 I557 S558 E562 Q563 R657 F660 M664 | A556-A560 WeakPolarHBondContact O-CB 3.33Å; A556-A560 PolarHBondContact O-N 2.96Å; A556-A560 VanDerWaalsContact O-N 3.12Å; I557-A560 WeakPolarHBondContact O-CB 3.37Å; I557-A560 PolarHBondContact O-N 2.81Å; I557-A560 VanDerWaalsContact O-N 3.12Å; S558-A560 VanDerWaalsContact C-N 3.3Å; S558-A560 PolarHBondContact O-N 3.17Å; A560-E562 VanDerWaalsContact C-N 3.26Å; A560-E562 PolarHBondContact O-N 2.81Å; A560-Q563 WeakPolarHBondContact O-CB 3.18Å; A560-Q563 PolarHBondContact O-N 3.33Å; A560-Q563 VanDerWaalsContact O-N 3.16Å; A560-R657 HydrophobicContact CB-CG 4.3Å; A560-F660 HydrophobicContact CB-CB 4.39Å; A560-F660 HydrophobicContact CB-CD1 3.66Å; A560-F660 HydrophobicContact CB-CG 4.5Å; A560-M664 HydrophobicContact CB-CE 3.89Å |
| 561 | F | 96.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -30.3 | 174.3 | -71.9 | -23.4 | 0 | 0 | 0 | 113.1 | F538 I557 S558 Q563 L564 I569 W571 L586 I607 F660 M664 | F538-F561 HydrophobicContact CB-CZ 4.27Å; F538-F561 AromaticContact CD1-CE2 3.74Å; F538-F561 HydrophobicContact CD1-CE2 3.74Å; F538-F561 AromaticContact CD1-CZ 3.53Å; F538-F561 HydrophobicContact CD1-CZ 3.53Å; F538-F561 HydrophobicContact CE1-CE2 4.22Å; F538-F561 HydrophobicContact CE1-CZ 4.07Å; F538-F561 HydrophobicContact CG-CZ 4.14Å; I557-F561 HydrophobicContact CG2-CD2 3.99Å; I557-F561 HydrophobicContact CG2-CE1 4.45Å; I557-F561 HydrophobicContact CG2-CE2 3.47Å; I557-F561 VanDerWaalsContact CG2-CE2 3.47Å; I557-F561 HydrophobicContact CG2-CZ 3.74Å; I557-F561 PolarHBondContact O-N 3.23Å; S558-F561 PolarHBondContact O-N 3.38Å; F561-Q563 PolarHBondContact O-N 3.41Å; F561-L564 PolarHBondContact O-N 3.04Å; F561-L564 VanDerWaalsContact O-N 3.1Å; F561-I569 HydrophobicContact CB-CD1 3.51Å; F561-I569 HydrophobicContact CD1-CD1 3.6Å; F561-I569 HydrophobicContact CD1-CG2 4.34Å; F561-I569 HydrophobicContact CD2-CD1 4.31Å; F561-I569 HydrophobicContact CD2-CG2 4.06Å; F561-I569 HydrophobicContact CE1-CD1 4.34Å; F561-I569 HydrophobicContact CE1-CG2 4.16Å; F561-I569 HydrophobicContact CE2-CG2 3.89Å; F561-I569 HydrophobicContact CG-CD1 3.56Å; F561-I569 HydrophobicContact CG-CG2 4.28Å; F561-I569 HydrophobicContact CZ-CG2 3.95Å; F561-W571 HydrophobicContact CD2-CE3 4.15Å; F561-W571 HydrophobicContact CD2-CZ3 4.29Å; F561-W571 HydrophobicContact CE2-CD2 4.16Å; F561-W571 AromaticContact CE2-CE3 3.78Å; F561-W571 HydrophobicContact CE2-CE3 3.78Å; F561-W571 HydrophobicContact CE2-CZ3 4.12Å; F561-L586 HydrophobicContact CD2-CD1 4.35Å; F561-I607 HydrophobicContact CE1-CD1 3.9Å; F561-I607 HydrophobicContact CZ-CD1 4.2Å; F561-F660 HydrophobicContact CD1-CE1 4.17Å; F561-F660 AromaticContact CE1-CE1 3.6Å; F561-F660 HydrophobicContact CE1-CE1 3.6Å; F561-F660 HydrophobicContact CE1-CZ 4.04Å; F561-F660 AromaticContact CZ-CE1 3.92Å; F561-F660 HydrophobicContact CZ-CE1 3.92Å; F561-F660 HydrophobicContact CZ-CZ 4.15Å; F561-M664 HydrophobicContact CD1-CE 3.92Å; F561-M664 HydrophobicContact CD1-SD 3.87Å; F561-M664 HydrophobicContact CE1-CE 4.13Å; F561-M664 HydrophobicContact CE1-SD 3.57Å; F561-M664 VanDerWaalsContact CE1-SD 3.57Å |
| 562 | E | 92.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 32.7 Ų | 32.7 | 47% | 0.467 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.7 | 173 | -71.4 | 173 | -174 | 0 | 0 | 113.6 | S558 A560 L564 K583 | S558-E562 PolarHBondContact O-N 2.92Å; A560-E562 VanDerWaalsContact C-N 3.26Å; A560-E562 PolarHBondContact O-N 2.81Å; E562-L564 PolarHBondContact O-N 3.32Å; E562-K583 HydrophobicContact CG-CD 3.98Å; E562-K583 WeakPolarHBondContact OE1-CE 3.14Å; E562-K583 IonicContact OE1-NZ 2.92Å; E562-K583 PolarHBondContact OE1-NZ 3.47Å |
| 563 | Q | 94.8 | Very high | 95.7 | Very high | 63 Ų | 63 | 26.4 Ų | 26.4 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3.3 | 179.2 | -62.2 | -178 | 79.1 | 0 | 0 | 112.9 | A560 F561 Y661 | A560-Q563 WeakPolarHBondContact O-CB 3.18Å; A560-Q563 PolarHBondContact O-N 3.33Å; A560-Q563 VanDerWaalsContact O-N 3.16Å; F561-Q563 PolarHBondContact O-N 3.41Å; Q563-Y661 HydrophobicContact CB-CD2 3.52Å; Q563-Y661 HydrophobicContact CB-CE2 3.37Å; Q563-Y661 HydrophobicContact CB-CG 4.41Å; Q563-Y661 HydrophobicContact CG-CD2 4.36Å; Q563-Y661 HydrophobicContact CG-CE2 4.45Å |
| 564 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -125.4 | 48 | -178.3 | -65.7 | 176 | 0 | 0 | 0 | 112.6 | I536 F561 E562 Q566 Y567 N585 Y661 M664 W665 L668 | I536-L564 HydrophobicContact CD1-CD1 3.95Å; F561-L564 PolarHBondContact O-N 3.04Å; F561-L564 VanDerWaalsContact O-N 3.1Å; E562-L564 PolarHBondContact O-N 3.32Å; L564-Q566 PolarHBondContact O-N 3.2Å; L564-Q566 VanDerWaalsContact O-N 3.1Å; L564-Y567 HydrophobicContact CB-CD2 4.05Å; L564-Y567 HydrophobicContact CD2-CD2 3.99Å; L564-Y567 HydrophobicContact CD2-CE2 4.08Å; L564-Y567 HydrophobicContact CG-CD2 4.48Å; L564-Y567 PolarHBondContact O-N 2.85Å; L564-N585 PolarHBondContact O-ND2 3.44Å; L564-Y661 HydrophobicContact CD2-CD2 4.42Å; L564-Y661 HydrophobicContact CD2-CE2 3.78Å; L564-Y661 HydrophobicContact CG-CD2 4.25Å; L564-Y661 HydrophobicContact CG-CE2 4.01Å; L564-M664 HydrophobicContact CD1-CB 4.31Å; L564-M664 HydrophobicContact CD1-CE 3.85Å; L564-M664 HydrophobicContact CD1-SD 4.02Å; L564-W665 HydrophobicContact CD2-CE3 3.74Å; L564-W665 HydrophobicContact CD2-CZ3 3.88Å; L564-L668 HydrophobicContact CD1-CD1 4.27Å; L564-L668 HydrophobicContact CD2-CD1 4.43Å | ||
| 565 | P | 94.6 | Very high | 95.6 | Very high | 88 Ų | 88 | 28 Ų | 28 | 57% | 0.571 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.5 | -176.7 | 28 | -37 | 0 | 0 | 0 | 113.7 | Y567 | P565-Y567 PolarHBondContact O-N 2.73Š|
| 566 | Q | 95.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 22% | 0.224 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.1 | 177.1 | 71.5 | -82.7 | 19.9 | 0 | 0 | 114.5 | K533 L564 | K533-Q566 HydrophobicContact CD-CB 4.21Å; K533-Q566 HydrophobicContact CD-CG 3.89Å; K533-Q566 HydrophobicContact CG-CB 4.31Å; K533-Q566 HydrophobicContact CG-CG 4.37Å; K533-Q566 PolarHBondContact N-O 2.74Å; L564-Q566 PolarHBondContact O-N 3.2Å; L564-Q566 VanDerWaalsContact O-N 3.1Å |
| 567 | Y | 97.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -120.7 | 147.6 | 178 | -63.8 | -76.9 | 0 | 0 | 0 | 110.8 | K533 G534 I536 L564 P565 N585 I604 W665 L668 | K533-Y567 HydrophobicContact CB-CD1 3.93Å; K533-Y567 HydrophobicContact CB-CE1 3.57Å; G534-Y567 WeakPolarHBondContact O-CA 3.45Å; I536-Y567 HydrophobicContact CD1-CG 4.39Å; L564-Y567 HydrophobicContact CB-CD2 4.05Å; L564-Y567 HydrophobicContact CD2-CD2 3.99Å; L564-Y567 HydrophobicContact CD2-CE2 4.08Å; L564-Y567 HydrophobicContact CG-CD2 4.48Å; L564-Y567 PolarHBondContact O-N 2.85Å; P565-Y567 PolarHBondContact O-N 2.73Å; Y567-N585 WeakPolarHBondContact O-CB 3.49Å; Y567-N585 PolarHBondContact O-ND2 3.42Å; Y567-I604 HydrophobicContact CD1-CD1 3.62Å; Y567-I604 HydrophobicContact CE1-CD1 3.33Å; Y567-W665 HydrophobicContact CE2-CZ3 4.42Å; Y567-L668 HydrophobicContact CD2-CD1 4.36Å; Y567-L668 HydrophobicContact CE1-CD2 4.27Å; Y567-L668 HydrophobicContact CE2-CD1 3.95Å |
| 568 | R | 97.8 | Very high | 95 | Very high | 34 Ų | 34 | 33.6 Ų | 33.6 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139 | 171.1 | -65.8 | -73.5 | 162 | 179.6 | -2.9 | 109.5 | F526 D529 S531 S532 G534 T535 I536 P584 | F526-R568 HydrophobicContact CD1-CB 4.33Å; F526-R568 HydrophobicContact CE1-CB 3.77Å; F526-R568 HydrophobicContact CE1-CG 4.42Å; F526-R568 HydrophobicContact CZ-CB 4.13Å; F526-R568 WeakPolarHBondContact O-CD 3.48Å; F526-R568 WeakPolarHBondContact O-CG 3.46Å; D529-R568 IonicContact OD1-NH2 3.54Å; D529-R568 IonicContact OD2-CZ 3.21Å; D529-R568 IonicContact OD2-NE 3.75Å; D529-R568 IonicContact OD2-NH1 3.87Å; D529-R568 IonicContact OD2-NH2 2.62Å; D529-R568 PolarHBondContact OD2-NH2 3.26Å; S531-R568 PolarHBondContact OG-NH2 3.18Å; S532-R568 WeakPolarHBondContact OG-CG 3.33Å; S532-R568 PolarHBondContact OG-N 2.87Å; G534-R568 PolarHBondContact O-N 2.8Å; T535-R568 CarbonylContact C-O 3.58Å; T535-R568 VanDerWaalsContact CA-O 3.25Å; T535-R568 WeakPolarHBondContact CA-O 3.42Å; T535-R568 HydrophobicContact CG2-CB 4.49Å; I536-R568 PolarHBondContact N-O 3.19Å; R568-P584 PolarHBondContact NH1-O 3.26Å |
| 569 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.1 | -176.1 | -54 | 174.2 | 0 | 0 | 0 | 108.1 | I536 F561 N585 L586 K587 | I536-I569 HydrophobicContact CB-CG1 4.31Å; I536-I569 HydrophobicContact CD1-CG1 4.49Å; I536-I569 CarbonylContact O-C 3.51Å; I536-I569 WeakPolarHBondContact O-CA 3.38Å; F561-I569 HydrophobicContact CB-CD1 3.51Å; F561-I569 HydrophobicContact CD1-CD1 3.6Å; F561-I569 HydrophobicContact CD1-CG2 4.34Å; F561-I569 HydrophobicContact CD2-CD1 4.31Å; F561-I569 HydrophobicContact CD2-CG2 4.06Å; F561-I569 HydrophobicContact CE1-CD1 4.34Å; F561-I569 HydrophobicContact CE1-CG2 4.16Å; F561-I569 HydrophobicContact CE2-CG2 3.89Å; F561-I569 HydrophobicContact CG-CD1 3.56Å; F561-I569 HydrophobicContact CG-CG2 4.28Å; F561-I569 HydrophobicContact CZ-CG2 3.95Å; I569-N585 PolarHBondContact N-O 3.39Å; I569-L586 HydrophobicContact CB-CD1 3.69Å; I569-L586 HydrophobicContact CG2-CD1 3.5Å; I569-L586 CarbonylContact O-C 3.58Å; I569-L586 WeakPolarHBondContact O-CA 3.39Å; I569-K587 PolarHBondContact O-N 3.38Å |
| 570 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.6 | 173.1 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | Y523 F526 T535 I536 V537 F538 K587 I592 L597 | Y523-V570 HydrophobicContact CE1-CG1 4.06Å; F526-V570 HydrophobicContact CD1-CG2 3.92Å; F526-V570 HydrophobicContact CE1-CG2 3.7Å; T535-V570 HydrophobicContact CG2-CG2 4.09Å; I536-V570 PolarHBondContact O-N 3.28Å; V537-V570 CarbonylContact C-O 3.5Å; V537-V570 WeakPolarHBondContact CA-O 3.4Å; F538-V570 PolarHBondContact N-O 2.88Å; V570-K587 WeakPolarHBondContact CA-O 3.37Å; V570-K587 HydrophobicContact CG2-CB 4.49Å; V570-I592 HydrophobicContact CG1-CB 4.3Å; V570-I592 HydrophobicContact CG1-CD1 4.11Å; V570-I592 HydrophobicContact CG1-CG2 3.82Å; V570-L597 HydrophobicContact CB-CD1 4.41Å; V570-L597 HydrophobicContact CG1-CD1 3.78Å; V570-L597 HydrophobicContact CG2-CD2 4.31Å |
| 571 | W | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.2 | -176.6 | -173.1 | 2.9 | 0 | 0 | 0 | 110.9 | F538 W546 I554 I557 F561 F573 V580 L586 K587 I588 D589 | F538-W571 HydrophobicContact CB-CB 4.43Å; F538-W571 HydrophobicContact CB-CG 4.3Å; F538-W571 HydrophobicContact CD1-CB 4.47Å; F538-W571 AromaticContact CD1-CD1 3.27Å; F538-W571 AromaticContact CD1-CD2 3.7Å; F538-W571 HydrophobicContact CD1-CD2 3.7Å; F538-W571 AromaticContact CD1-CE2 3.49Å; F538-W571 VanDerWaalsContact CD1-CE2 3.49Å; F538-W571 AromaticContact CD1-CG 3.6Å; F538-W571 HydrophobicContact CD1-CG 3.6Å; F538-W571 HydrophobicContact CD1-CZ2 4.19Å; F538-W571 AromaticContact CD1-NE1 3.23Å; F538-W571 AromaticContact CE1-CD1 3.94Å; F538-W571 HydrophobicContact CE1-CD2 4.1Å; F538-W571 AromaticContact CE1-CE2 3.46Å; F538-W571 VanDerWaalsContact CE1-CE2 3.46Å; F538-W571 HydrophobicContact CE1-CG 4.4Å; F538-W571 AromaticContact CE1-CZ2 3.71Å; F538-W571 HydrophobicContact CE1-CZ2 3.71Å; F538-W571 AromaticContact CE1-NE1 3.38Å; F538-W571 AromaticContact CG-CD1 3.8Å; F538-W571 HydrophobicContact CG-CG 4.31Å; W546-W571 AromaticContact CE2-NE1 3.65Å; W546-W571 HydrophobicContact CE3-CZ2 4.31Å; W546-W571 HydrophobicContact CH2-CZ2 4.04Å; W546-W571 HydrophobicContact CZ2-CZ2 4.26Å; W546-W571 AromaticContact CZ2-NE1 3.47Å; W546-W571 HydrophobicContact CZ3-CZ2 4.06Å; W546-W571 AromaticContact NE1-NE1 3.93Å; I554-W571 HydrophobicContact CG2-CH2 4.22Å; I557-W571 HydrophobicContact CB-CH2 4.33Å; I557-W571 HydrophobicContact CG2-CH2 3.86Å; I557-W571 HydrophobicContact CG2-CZ2 4.18Å; I557-W571 HydrophobicContact CG2-CZ3 4.21Å; F561-W571 HydrophobicContact CD2-CE3 4.15Å; F561-W571 HydrophobicContact CD2-CZ3 4.29Å; F561-W571 HydrophobicContact CE2-CD2 4.16Å; F561-W571 AromaticContact CE2-CE3 3.78Å; F561-W571 HydrophobicContact CE2-CE3 3.78Å; F561-W571 HydrophobicContact CE2-CZ3 4.12Å; W571-F573 HydrophobicContact CD2-CB 4.18Å; W571-F573 HydrophobicContact CD2-CD2 4.44Å; W571-F573 AromaticContact CE2-CD2 3.66Å; W571-F573 HydrophobicContact CG-CB 4.08Å; W571-F573 HydrophobicContact CH2-CD2 4.29Å; W571-F573 HydrophobicContact CH2-CE2 4.37Å; W571-F573 AromaticContact CZ2-CD2 3.56Å; W571-F573 HydrophobicContact CZ2-CD2 3.56Å; W571-F573 AromaticContact CZ2-CE2 3.93Å; W571-F573 HydrophobicContact CZ2-CE2 3.93Å; W571-F573 HydrophobicContact CZ2-CG 4.37Å; W571-F573 AromaticContact NE1-CD2 3.84Å; W571-F573 PolarHBondContact O-N 3.39Å; W571-V580 HydrophobicContact CE3-CB 4.39Å; W571-V580 HydrophobicContact CE3-CG1 4.33Å; W571-V580 HydrophobicContact CH2-CB 4.44Å; W571-V580 HydrophobicContact CH2-CG1 3.54Å; W571-V580 HydrophobicContact CZ3-CB 3.82Å; W571-V580 HydrophobicContact CZ3-CG1 3.36Å; W571-L586 HydrophobicContact CB-CD1 4.03Å; W571-L586 HydrophobicContact CE3-CD1 4.35Å; W571-L586 HydrophobicContact CE3-CD2 4.32Å; W571-K587 PolarHBondContact N-O 3.33Å; W571-I588 WeakPolarHBondContact O-CA 3.38Å; W571-D589 PolarHBondContact O-N 3.09Å |
| 572 | Q | 96.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 106.3 | 166.6 | -173 | -178 | -36.3 | 0 | 0 | 109.9 | F538 S539 G541 W546 D589 P590 W591 I592 | F538-Q572 PolarHBondContact O-N 2.89Å; S539-Q572 PolarHBondContact OG-OE1 3.48Å; G541-Q572 PolarHBondContact O-NE2 3.06Å; G541-Q572 VanDerWaalsContact O-NE2 3.17Å; W546-Q572 PolarHBondContact NE1-O 3.12Å; W546-Q572 VanDerWaalsContact NE1-O 3.08Å; Q572-D589 CarbonylContact C-O 3.46Å; Q572-D589 VanDerWaalsContact CA-O 3.29Å; Q572-D589 WeakPolarHBondContact CA-O 3.3Å; Q572-P590 WeakPolarHBondContact CG-O 3.39Å; Q572-W591 VanDerWaalsContact NE2-CE3 3.29Å; Q572-W591 VanDerWaalsContact NE2-CZ3 3.31Å; Q572-I592 HydrophobicContact CB-CD1 3.99Å; Q572-I592 HydrophobicContact CB-CG1 4.03Å; Q572-I592 HydrophobicContact CB-CG2 4.13Å; Q572-I592 HydrophobicContact CG-CG1 4.5Å |
| 573 | F | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | trans | -145.6 | 123.3 | -171.9 | -177.7 | -100.2 | 0 | 0 | 0 | 111 | W546 I554 W571 G575 V577 V580 I588 D589 P590 | W546-F573 HydrophobicContact CB-CD2 3.65Å; W546-F573 HydrophobicContact CB-CE2 3.54Å; W546-F573 HydrophobicContact CB-CZ 4.35Å; W546-F573 AromaticContact CD1-CD2 3.81Å; W546-F573 AromaticContact CD2-CD2 3.58Å; W546-F573 HydrophobicContact CD2-CD2 3.58Å; W546-F573 AromaticContact CD2-CE2 3.86Å; W546-F573 HydrophobicContact CD2-CE2 3.86Å; W546-F573 HydrophobicContact CE3-CD2 4.07Å; W546-F573 AromaticContact CE3-CE2 3.94Å; W546-F573 HydrophobicContact CE3-CE2 3.94Å; W546-F573 AromaticContact CG-CD2 3.38Å; W546-F573 HydrophobicContact CG-CD2 3.38Å; W546-F573 AromaticContact CG-CE2 3.71Å; W546-F573 HydrophobicContact CG-CE2 3.71Å; W546-F573 HydrophobicContact CG-CG 4.34Å; I554-F573 HydrophobicContact CD1-CE2 4.19Å; I554-F573 HydrophobicContact CD1-CZ 4.31Å; I554-F573 HydrophobicContact CG1-CE2 4.42Å; I554-F573 HydrophobicContact CG2-CE2 4.13Å; I554-F573 HydrophobicContact CG2-CZ 4.14Å; W571-F573 HydrophobicContact CD2-CB 4.18Å; W571-F573 HydrophobicContact CD2-CD2 4.44Å; W571-F573 AromaticContact CE2-CD2 3.66Å; W571-F573 HydrophobicContact CG-CB 4.08Å; W571-F573 HydrophobicContact CH2-CD2 4.29Å; W571-F573 HydrophobicContact CH2-CE2 4.37Å; W571-F573 AromaticContact CZ2-CD2 3.56Å; W571-F573 HydrophobicContact CZ2-CD2 3.56Å; W571-F573 AromaticContact CZ2-CE2 3.93Å; W571-F573 HydrophobicContact CZ2-CE2 3.93Å; W571-F573 HydrophobicContact CZ2-CG 4.37Å; W571-F573 AromaticContact NE1-CD2 3.84Å; W571-F573 PolarHBondContact O-N 3.39Å; F573-G575 WeakPolarHBondContact CE1-O 3.4Å; F573-V577 HydrophobicContact CD1-CG2 4.46Å; F573-V580 HydrophobicContact CD1-CG2 3.84Å; F573-V580 HydrophobicContact CE1-CG2 3.59Å; F573-V580 HydrophobicContact CZ-CG1 4.38Å; F573-V580 HydrophobicContact CZ-CG2 4.19Å; F573-I588 HydrophobicContact CB-CG2 3.81Å; F573-I588 HydrophobicContact CD1-CG2 4.09Å; F573-I588 HydrophobicContact CG-CG2 4.39Å; F573-D589 PolarHBondContact N-O 2.83Å; F573-P590 WeakPolarHBondContact O-CA 3.49Å | ||
| 574 | N | 94.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 33% | 0.326 | 26% | 0.26 | S | S | . | . | trans | -112.8 | 12.5 | -179.5 | 71.6 | -40.8 | 0 | 0 | 0 | 112.8 | D545 W546 Q547 P590 | D545-N574 PolarHBondContact OD1-ND2 3.22Å; W546-N574 WeakPolarHBondContact CB-OD1 3.5Å; W546-N574 PolarHBondContact N-OD1 2.9Å; Q547-N574 PolarHBondContact NE2-O 2.98Å; N574-P590 HydrophobicContact CB-CB 4.44Å | ||
| 575 | G | 92.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87.1 | -162.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F573 V577 | F573-G575 WeakPolarHBondContact CE1-O 3.4Å; G575-V577 PolarHBondContact O-N 2.87Å |
| 576 | N | 92.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 39 Ų | 39 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | trans | -71 | 101.4 | 178.1 | -175.2 | -5.1 | 0 | 0 | 0 | 111.6 | S578 M579 | N576-S578 PolarHBondContact ND2-OG 3.36Å; N576-S578 PolarHBondContact O-N 2.88Å; N576-S578 VanDerWaalsContact O-N 3.14Å; N576-S578 WeakPolarHBondContact OD1-CB 3.34Å; N576-S578 PolarHBondContact OD1-N 2.67Å; N576-S578 VanDerWaalsContact OD1-N 3.12Å; N576-S578 PolarHBondContact OD1-OG 3.09Å; N576-M579 HydrophobicContact CB-CE 4.18Å; N576-M579 HydrophobicContact CB-CG 4.22Å; N576-M579 HydrophobicContact CB-SD 4.16Å; N576-M579 WeakPolarHBondContact O-CB 3.5Å; N576-M579 PolarHBondContact O-N 3.32Å; N576-M579 VanDerWaalsContact O-N 3.1Å | ||
| 577 | V | 90.8 | Very high | 92.7 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 42% | 0.424 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -58.9 | -27.5 | -176.6 | 177.7 | 0 | 0 | 0 | 0 | 112.8 | F573 G575 M579 V580 S581 | F573-V577 HydrophobicContact CD1-CG2 4.46Å; G575-V577 PolarHBondContact O-N 2.87Å; V577-M579 PolarHBondContact O-N 2.89Å; V577-M579 VanDerWaalsContact O-N 3.15Å; V577-V580 VanDerWaalsContact O-CG2 3.31Å; V577-V580 WeakPolarHBondContact O-CG2 3.46Å; V577-V580 PolarHBondContact O-N 3.25Å; V577-S581 VanDerWaalsContact O-CB 3.26Å; V577-S581 WeakPolarHBondContact O-CB 3.44Å; V577-S581 PolarHBondContact O-N 3.15Å; V577-S581 PolarHBondContact O-OG 2.95Å; V577-S581 VanDerWaalsContact O-OG 3.11Å |
| 578 | S | 89.7 | Confident | 92.6 | Very high | 86 Ų | 86 | 38.6 Ų | 38.6 | 60% | 0.601 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -61.7 | -21.9 | 177.8 | 65.9 | 0 | 0 | 0 | 0 | 114 | N576 V580 | N576-S578 PolarHBondContact ND2-OG 3.36Å; N576-S578 PolarHBondContact O-N 2.88Å; N576-S578 VanDerWaalsContact O-N 3.14Å; N576-S578 WeakPolarHBondContact OD1-CB 3.34Å; N576-S578 PolarHBondContact OD1-N 2.67Å; N576-S578 VanDerWaalsContact OD1-N 3.12Å; N576-S578 PolarHBondContact OD1-OG 3.09Å; S578-V580 VanDerWaalsContact C-N 3.3Å |
| 579 | M | 87.3 | Confident | 92.4 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 35% | 0.345 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -77 | -17.5 | 177.6 | -61.5 | -179.6 | 174.5 | 0 | 0 | 113.3 | V551 I554 N576 V577 | V551-M579 HydrophobicContact CG1-CE 4.35Å; V551-M579 HydrophobicContact CG1-SD 4.34Å; V551-M579 HydrophobicContact CG2-CE 4.23Å; I554-M579 HydrophobicContact CG2-CB 4.38Å; N576-M579 HydrophobicContact CB-CE 4.18Å; N576-M579 HydrophobicContact CB-CG 4.22Å; N576-M579 HydrophobicContact CB-SD 4.16Å; N576-M579 WeakPolarHBondContact O-CB 3.5Å; N576-M579 PolarHBondContact O-N 3.32Å; N576-M579 VanDerWaalsContact O-N 3.1Å; V577-M579 PolarHBondContact O-N 2.89Å; V577-M579 VanDerWaalsContact O-N 3.15Å |
| 580 | V | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -19.1 | -166.1 | -68.6 | 0 | 0 | 0 | 0 | 113.4 | I554 W571 F573 V577 S578 L586 I588 | I554-V580 HydrophobicContact CG2-CG1 3.57Å; W571-V580 HydrophobicContact CE3-CB 4.39Å; W571-V580 HydrophobicContact CE3-CG1 4.33Å; W571-V580 HydrophobicContact CH2-CB 4.44Å; W571-V580 HydrophobicContact CH2-CG1 3.54Å; W571-V580 HydrophobicContact CZ3-CB 3.82Å; W571-V580 HydrophobicContact CZ3-CG1 3.36Å; F573-V580 HydrophobicContact CD1-CG2 3.84Å; F573-V580 HydrophobicContact CE1-CG2 3.59Å; F573-V580 HydrophobicContact CZ-CG1 4.38Å; F573-V580 HydrophobicContact CZ-CG2 4.19Å; V577-V580 VanDerWaalsContact O-CG2 3.31Å; V577-V580 WeakPolarHBondContact O-CG2 3.46Å; V577-V580 PolarHBondContact O-N 3.25Å; S578-V580 VanDerWaalsContact C-N 3.3Å; V580-L586 VanDerWaalsContact O-CD2 3.29Å; V580-L586 WeakPolarHBondContact O-CD2 3.32Å; V580-I588 HydrophobicContact CB-CD1 3.87Å; V580-I588 HydrophobicContact CG2-CD1 3.48Å; V580-I588 VanDerWaalsContact CG2-CD1 3.48Å |
| 581 | S | 85 | Confident | 92.1 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | trans | -72.9 | 179.7 | -179.1 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | V577 | V577-S581 VanDerWaalsContact O-CB 3.26Å; V577-S581 WeakPolarHBondContact O-CB 3.44Å; V577-S581 PolarHBondContact O-N 3.15Å; V577-S581 PolarHBondContact O-OG 2.95Å; V577-S581 VanDerWaalsContact O-OG 3.11Å | ||
| 582 | G | 82.5 | Confident | 92 | Very high | 81 Ų | 81 | 51 Ų | 51 | 84% | 0.835 | 30% | 0.302 | S | S | * | . | trans | 91 | 4.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 583 | K | 86.6 | Confident | 92 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | trans | -110.6 | 125.5 | -175.7 | -61.9 | 168.2 | 173.1 | 76.6 | 0 | 111.1 | S558 E562 N585 L586 | S558-K583 PolarHBondContact OG-NZ 2.95Å; E562-K583 HydrophobicContact CG-CD 3.98Å; E562-K583 WeakPolarHBondContact OE1-CE 3.14Å; E562-K583 IonicContact OE1-NZ 2.92Å; E562-K583 PolarHBondContact OE1-NZ 3.47Å; K583-N585 VanDerWaalsContact C-N 3.26Å; K583-N585 PolarHBondContact O-N 3.44Å; K583-L586 HydrophobicContact CB-CB 3.98Å; K583-L586 HydrophobicContact CD-CD2 4.11Å; K583-L586 PolarHBondContact O-N 3.09Å | ||
| 584 | P | 88.1 | Confident | 92 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 74% | 0.74 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.9 | -173.9 | 27.1 | -35 | 0 | 0 | 0 | 113.8 | R568 | R568-P584 PolarHBondContact NH1-O 3.26Š|
| 585 | N | 94 | Very high | 92 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 3.4 | 179.3 | 71.2 | -47.7 | 0 | 0 | 0 | 113.7 | F526 L564 Y567 I569 K583 | F526-N585 WeakPolarHBondContact CZ-O 3.38Å; L564-N585 PolarHBondContact O-ND2 3.44Å; Y567-N585 WeakPolarHBondContact O-CB 3.49Å; Y567-N585 PolarHBondContact O-ND2 3.42Å; I569-N585 PolarHBondContact N-O 3.39Å; K583-N585 VanDerWaalsContact C-N 3.26Å; K583-N585 PolarHBondContact O-N 3.44Å |
| 586 | L | 95.4 | Very high | 92.2 | Very high | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.6 | -176.8 | -176.1 | 62.9 | 0 | 0 | 0 | 111.2 | F561 I569 W571 V580 K583 I588 | F561-L586 HydrophobicContact CD2-CD1 4.35Å; I569-L586 HydrophobicContact CB-CD1 3.69Å; I569-L586 HydrophobicContact CG2-CD1 3.5Å; I569-L586 CarbonylContact O-C 3.58Å; I569-L586 WeakPolarHBondContact O-CA 3.39Å; W571-L586 HydrophobicContact CB-CD1 4.03Å; W571-L586 HydrophobicContact CE3-CD1 4.35Å; W571-L586 HydrophobicContact CE3-CD2 4.32Å; V580-L586 VanDerWaalsContact O-CD2 3.29Å; V580-L586 WeakPolarHBondContact O-CD2 3.32Å; K583-L586 HydrophobicContact CB-CB 3.98Å; K583-L586 HydrophobicContact CD-CD2 4.11Å; K583-L586 PolarHBondContact O-N 3.09Å; L586-I588 HydrophobicContact CD1-CG1 4.37Å; L586-I588 HydrophobicContact CD2-CD1 3.69Å; L586-I588 HydrophobicContact CD2-CG1 3.95Å; L586-I588 HydrophobicContact CG-CD1 4.02Å; L586-I588 HydrophobicContact CG-CG1 3.7Å |
| 587 | K | 95.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 48 Ų | 48 | 10% | 0.1 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.1 | 169.7 | 178.2 | 161.1 | 178.3 | 44.3 | 0 | 109.2 | E522 Y523 F526 I569 V570 W571 D589 | E522-K587 WeakPolarHBondContact OE1-CE 3.2Å; E522-K587 IonicContact OE1-NZ 3.31Å; E522-K587 PolarHBondContact OE1-NZ 2.67Å; Y523-K587 HydrophobicContact CD1-CD 3.93Å; Y523-K587 HydrophobicContact CE1-CD 3.83Å; Y523-K587 HydrophobicContact CE1-CG 4.46Å; F526-K587 HydrophobicContact CB-CD 4.39Å; F526-K587 HydrophobicContact CD1-CB 3.93Å; F526-K587 HydrophobicContact CD1-CD 4.22Å; F526-K587 HydrophobicContact CD2-CB 4.18Å; F526-K587 HydrophobicContact CE1-CB 3.56Å; F526-K587 HydrophobicContact CE2-CB 3.84Å; F526-K587 HydrophobicContact CG-CB 4.22Å; F526-K587 HydrophobicContact CG-CD 4.14Å; F526-K587 HydrophobicContact CZ-CB 3.51Å; I569-K587 PolarHBondContact O-N 3.38Å; V570-K587 WeakPolarHBondContact CA-O 3.37Å; V570-K587 HydrophobicContact CG2-CB 4.49Å; W571-K587 PolarHBondContact N-O 3.33Å; K587-D589 WeakPolarHBondContact CE-OD2 3.33Å; K587-D589 IonicContact NZ-OD1 2.73Å; K587-D589 PolarHBondContact NZ-OD1 3.09Å; K587-D589 IonicContact NZ-OD2 2.73Å; K587-D589 PolarHBondContact NZ-OD2 3.39Å |
| 588 | I | 95.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.159 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.6 | -174 | -51.2 | -178.6 | 0 | 0 | 0 | 108.1 | W571 F573 V580 L586 | W571-I588 WeakPolarHBondContact O-CA 3.38Å; F573-I588 HydrophobicContact CB-CG2 3.81Å; F573-I588 HydrophobicContact CD1-CG2 4.09Å; F573-I588 HydrophobicContact CG-CG2 4.39Å; V580-I588 HydrophobicContact CB-CD1 3.87Å; V580-I588 HydrophobicContact CG2-CD1 3.48Å; V580-I588 VanDerWaalsContact CG2-CD1 3.48Å; L586-I588 HydrophobicContact CD1-CG1 4.37Å; L586-I588 HydrophobicContact CD2-CD1 3.69Å; L586-I588 HydrophobicContact CD2-CG1 3.95Å; L586-I588 HydrophobicContact CG-CD1 4.02Å; L586-I588 HydrophobicContact CG-CG1 3.7Å |
| 589 | D | 94.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.9 | 174.1 | -63 | -55.5 | 0 | 0 | 0 | 109.5 | Y523 W571 Q572 F573 K587 W591 I592 | Y523-D589 VanDerWaalsContact CZ-OD2 3.27Å; Y523-D589 PolarHBondContact OH-OD2 3.42Å; W571-D589 PolarHBondContact O-N 3.09Å; Q572-D589 CarbonylContact C-O 3.46Å; Q572-D589 VanDerWaalsContact CA-O 3.29Å; Q572-D589 WeakPolarHBondContact CA-O 3.3Å; F573-D589 PolarHBondContact N-O 2.83Å; K587-D589 WeakPolarHBondContact CE-OD2 3.33Å; K587-D589 IonicContact NZ-OD1 2.73Å; K587-D589 PolarHBondContact NZ-OD1 3.09Å; K587-D589 IonicContact NZ-OD2 2.73Å; K587-D589 PolarHBondContact NZ-OD2 3.39Å; D589-W591 PolarHBondContact O-N 3.34Å; D589-I592 HydrophobicContact CB-CG2 4.05Å |
| 590 | P | 93.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -64.9 | -27.3 | 176 | 26.1 | -34.3 | 0 | 0 | 0 | 112.4 | Q572 F573 N574 | Q572-P590 WeakPolarHBondContact CG-O 3.39Å; F573-P590 WeakPolarHBondContact O-CA 3.49Å; N574-P590 HydrophobicContact CB-CB 4.44Å |
| 591 | W | 94.7 | Very high | 93.8 | Very high | 164 Ų | 164 | 48.1 Ų | 48.1 | 62% | 0.621 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -143.7 | 132.7 | 176.1 | -166.7 | -103 | 0 | 0 | 0 | 110.3 | H542 Q572 D589 | H542-W591 HydrophobicContact CB-CH2 4.3Å; H542-W591 HydrophobicContact CB-CZ3 4.06Å; Q572-W591 VanDerWaalsContact NE2-CE3 3.29Å; Q572-W591 VanDerWaalsContact NE2-CZ3 3.31Å; D589-W591 PolarHBondContact O-N 3.34Å |
| 592 | I | 96 | Very high | 94.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | -117.2 | 153 | -175.5 | 66.2 | 174.9 | 0 | 0 | 0 | 110.6 | V537 V570 Q572 D589 L594 L597 | V537-I592 HydrophobicContact CG1-CD1 3.67Å; V570-I592 HydrophobicContact CG1-CB 4.3Å; V570-I592 HydrophobicContact CG1-CD1 4.11Å; V570-I592 HydrophobicContact CG1-CG2 3.82Å; Q572-I592 HydrophobicContact CB-CD1 3.99Å; Q572-I592 HydrophobicContact CB-CG1 4.03Å; Q572-I592 HydrophobicContact CB-CG2 4.13Å; Q572-I592 HydrophobicContact CG-CG1 4.5Å; D589-I592 HydrophobicContact CB-CG2 4.05Å; I592-L594 HydrophobicContact CD1-CB 4.46Å; I592-L594 HydrophobicContact CD1-CD1 4.24Å; I592-L594 HydrophobicContact CG1-CB 4.15Å; I592-L594 PolarHBondContact O-N 3.39Å; I592-L597 HydrophobicContact CB-CD1 3.98Å; I592-L597 HydrophobicContact CD1-CD1 3.88Å; I592-L597 HydrophobicContact CG1-CD1 4.17Å | ||
| 593 | P | 96 | Very high | 95.1 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | trans | -75.5 | 64.2 | 173.7 | 32.8 | -35.6 | 0 | 0 | 0 | 110.7 | L519 Y523 A596 L597 | L519-P593 HydrophobicContact CD2-CG 4.01Å; Y523-P593 HydrophobicContact CD1-CG 4.37Å; Y523-P593 HydrophobicContact CD2-CG 3.66Å; Y523-P593 HydrophobicContact CE1-CG 4.32Å; Y523-P593 HydrophobicContact CE2-CG 3.61Å; Y523-P593 HydrophobicContact CG-CG 4.06Å; Y523-P593 WeakPolarHBondContact OH-CD 3.39Å; P593-A596 HydrophobicContact CB-CB 4.41Å; P593-A596 PolarHBondContact O-N 2.87Å; P593-A596 VanDerWaalsContact O-N 3.1Å; P593-L597 HydrophobicContact CG-CD1 4.27Å; P593-L597 HydrophobicContact CG-CG 4.3Å; P593-L597 PolarHBondContact O-N 2.88Å | ||
| 594 | L | 95.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.7 | -48.2 | -169.4 | 177.7 | 65.8 | 0 | 0 | 0 | 113.7 | V537 I592 A596 L597 L598 F606 | V537-L594 HydrophobicContact CG1-CD1 3.58Å; I592-L594 HydrophobicContact CD1-CB 4.46Å; I592-L594 HydrophobicContact CD1-CD1 4.24Å; I592-L594 HydrophobicContact CG1-CB 4.15Å; I592-L594 PolarHBondContact O-N 3.39Å; L594-A596 VanDerWaalsContact C-N 3.31Å; L594-A596 PolarHBondContact O-N 2.75Å; L594-L597 PolarHBondContact O-N 3.21Å; L594-L598 HydrophobicContact CD1-CD1 3.9Å; L594-L598 HydrophobicContact CD1-CD2 4.25Å; L594-L598 HydrophobicContact CD1-CG 3.82Å; L594-L598 HydrophobicContact CG-CD1 3.92Å; L594-L598 HydrophobicContact CG-CG 4.24Å; L594-L598 WeakPolarHBondContact O-CG 3.26Å; L594-L598 PolarHBondContact O-N 3.08Å; L594-F606 HydrophobicContact CD1-CD2 4.34Å; L594-F606 HydrophobicContact CD1-CE2 3.75Å; L594-F606 HydrophobicContact CD1-CZ 4.09Å; L594-F606 HydrophobicContact CD2-CE2 4.46Å; L594-F606 HydrophobicContact CD2-CZ 4.07Å |
| 595 | P | 95.1 | Very high | 96.1 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | -178.9 | -23.3 | 35.3 | 0 | 0 | 0 | 113 | V516 L598 Q599 F621 | V516-P595 HydrophobicContact CB-CB 4.42Å; V516-P595 HydrophobicContact CG1-CB 4.05Å; V516-P595 HydrophobicContact CG2-CB 3.53Å; P595-L598 PolarHBondContact O-N 3.01Å; P595-Q599 WeakPolarHBondContact O-CB 3.47Å; P595-Q599 PolarHBondContact O-N 3.49Å; P595-F621 WeakPolarHBondContact O-CE2 3.47Å |
| 596 | A | 96.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.7 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V516 L519 P593 L594 Q599 H600 | V516-A596 HydrophobicContact CG1-CB 3.8Å; L519-A596 HydrophobicContact CD2-CB 3.58Å; L519-A596 HydrophobicContact CG-CB 4.16Å; P593-A596 HydrophobicContact CB-CB 4.41Å; P593-A596 PolarHBondContact O-N 2.87Å; P593-A596 VanDerWaalsContact O-N 3.1Å; L594-A596 VanDerWaalsContact C-N 3.31Å; L594-A596 PolarHBondContact O-N 2.75Å; A596-Q599 PolarHBondContact O-N 3.19Å; A596-H600 PolarHBondContact O-N 3.13Å |
| 597 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 173.6 | -72.6 | 166.2 | 0 | 0 | 0 | 111.1 | L519 Y523 V527 V537 V570 I592 P593 L594 Q599 H600 T603 | L519-L597 HydrophobicContact CD1-CD2 4.12Å; L519-L597 HydrophobicContact CD2-CD2 3.8Å; L519-L597 HydrophobicContact CD2-CG 3.85Å; Y523-L597 HydrophobicContact CD1-CD1 4.5Å; Y523-L597 HydrophobicContact CD1-CD2 4.15Å; Y523-L597 HydrophobicContact CE1-CD1 4.49Å; V527-L597 HydrophobicContact CG2-CD2 3.88Å; V537-L597 HydrophobicContact CG2-CB 4.01Å; V570-L597 HydrophobicContact CB-CD1 4.41Å; V570-L597 HydrophobicContact CG1-CD1 3.78Å; V570-L597 HydrophobicContact CG2-CD2 4.31Å; I592-L597 HydrophobicContact CB-CD1 3.98Å; I592-L597 HydrophobicContact CD1-CD1 3.88Å; I592-L597 HydrophobicContact CG1-CD1 4.17Å; P593-L597 HydrophobicContact CG-CD1 4.27Å; P593-L597 HydrophobicContact CG-CG 4.3Å; P593-L597 PolarHBondContact O-N 2.88Å; L594-L597 PolarHBondContact O-N 3.21Å; L597-Q599 PolarHBondContact O-N 3.38Å; L597-H600 WeakPolarHBondContact O-CB 3.42Å; L597-H600 PolarHBondContact O-N 2.99Å; L597-T603 WeakPolarHBondContact O-CB 3.29Å; L597-T603 PolarHBondContact O-OG1 2.9Å |
| 598 | L | 97.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 178.9 | -68.2 | 177.1 | 0 | 0 | 0 | 112.5 | L594 P595 H600 T603 F606 E617 A618 F621 V623 | L594-L598 HydrophobicContact CD1-CD1 3.9Å; L594-L598 HydrophobicContact CD1-CD2 4.25Å; L594-L598 HydrophobicContact CD1-CG 3.82Å; L594-L598 HydrophobicContact CG-CD1 3.92Å; L594-L598 HydrophobicContact CG-CG 4.24Å; L594-L598 WeakPolarHBondContact O-CG 3.26Å; L594-L598 PolarHBondContact O-N 3.08Å; P595-L598 PolarHBondContact O-N 3.01Å; L598-H600 VanDerWaalsContact C-N 3.26Å; L598-H600 PolarHBondContact O-N 2.96Å; L598-T603 HydrophobicContact CD2-CG2 4.34Å; L598-F606 HydrophobicContact CD1-CE1 4.5Å; L598-F606 HydrophobicContact CD2-CB 3.84Å; L598-F606 HydrophobicContact CD2-CD1 4.17Å; L598-F606 HydrophobicContact CD2-CD2 4.07Å; L598-F606 HydrophobicContact CD2-CG 3.78Å; L598-E617 HydrophobicContact CD1-CB 3.8Å; L598-A618 HydrophobicContact CD1-CB 4.27Å; L598-F621 HydrophobicContact CB-CB 4.46Å; L598-F621 HydrophobicContact CB-CD2 3.68Å; L598-F621 HydrophobicContact CB-CE2 4.42Å; L598-F621 HydrophobicContact CB-CG 4.47Å; L598-F621 VanDerWaalsContact O-CB 3.27Å; L598-F621 WeakPolarHBondContact O-CB 3.3Å; L598-V623 HydrophobicContact CD2-CB 4.34Å; L598-V623 HydrophobicContact CD2-CG1 4.31Å; L598-V623 HydrophobicContact CD2-CG2 4.25Å; L598-V623 WeakPolarHBondContact O-CG2 3.32Å |
| 599 | Q | 95.8 | Very high | 96.6 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.4 | -28 | 175.5 | -172.9 | -178.3 | 21.9 | 0 | 0 | 112.7 | V516 P595 A596 L597 F621 | V516-Q599 PolarHBondContact O-OE1 3.38Å; P595-Q599 WeakPolarHBondContact O-CB 3.47Å; P595-Q599 PolarHBondContact O-N 3.49Å; A596-Q599 PolarHBondContact O-N 3.19Å; L597-Q599 PolarHBondContact O-N 3.38Å; Q599-F621 HydrophobicContact CB-CD1 3.86Å; Q599-F621 HydrophobicContact CB-CD2 4.22Å; Q599-F621 HydrophobicContact CB-CE1 3.73Å; Q599-F621 HydrophobicContact CB-CE2 4.08Å; Q599-F621 HydrophobicContact CB-CG 4.11Å; Q599-F621 HydrophobicContact CB-CZ 3.83Å; Q599-F621 HydrophobicContact CG-CD1 3.91Å; Q599-F621 HydrophobicContact CG-CE1 3.65Å; Q599-F621 HydrophobicContact CG-CZ 4.15Å |
| 600 | H | 97.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 15% | 0.148 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -65.9 | 133.8 | -174.2 | -162.9 | -85.6 | 0 | 0 | 0 | 112.3 | L519 V527 E528 A596 L597 L598 K602 T603 | L519-H600 HydrophobicContact CD1-CB 4.15Å; V527-H600 VanDerWaalsContact CG1-ND1 3.31Å; V527-H600 WeakPolarHBondContact CG1-ND1 3.01Å; E528-H600 IonicContact OE1-CE1 3.46Å; E528-H600 IonicContact OE1-NE2 3.39Å; E528-H600 PolarHBondContact OE1-NE2 3.15Å; A596-H600 PolarHBondContact O-N 3.13Å; L597-H600 WeakPolarHBondContact O-CB 3.42Å; L597-H600 PolarHBondContact O-N 2.99Å; L598-H600 VanDerWaalsContact C-N 3.26Å; L598-H600 PolarHBondContact O-N 2.96Å; H600-K602 WeakPolarHBondContact ND1-CB 3.41Å; H600-K602 PolarHBondContact ND1-N 3.04Å; H600-K602 PolarHBondContact O-N 3.3Å; H600-K602 VanDerWaalsContact O-N 3.12Å; H600-T603 WeakPolarHBondContact O-CB 3.16Å; H600-T603 PolarHBondContact O-N 3.19Å |
| 601 | S | 95.2 | Very high | 96.5 | Very high | 111 Ų | 111 | 31.6 Ų | 31.6 | 78% | 0.776 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.2 | -173.8 | 62.6 | 0 | 0 | 0 | 0 | 114.5 | T603 | S601-T603 VanDerWaalsContact C-N 3.32Š|
| 602 | K | 97.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 33% | 0.33 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14 | 175.4 | -68.5 | -75.4 | -172 | 165.2 | 0 | 113.8 | V527 G534 T535 H600 I604 | V527-K602 HydrophobicContact CG1-CB 3.72Å; V527-K602 HydrophobicContact CG1-CG 4.39Å; G534-K602 CarbonylContact C-O 3.49Å; G534-K602 WeakPolarHBondContact CA-O 3.5Å; T535-K602 PolarHBondContact N-O 3.42Å; H600-K602 WeakPolarHBondContact ND1-CB 3.41Å; H600-K602 PolarHBondContact ND1-N 3.04Å; H600-K602 PolarHBondContact O-N 3.3Å; H600-K602 VanDerWaalsContact O-N 3.12Å; K602-I604 PolarHBondContact O-N 3.02Å |
| 603 | T | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 116.7 | 179.1 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | T535 V537 L597 L598 H600 S601 V623 | T535-T603 WeakPolarHBondContact O-CA 3.11Å; V537-T603 HydrophobicContact CG2-CG2 3.75Å; L597-T603 WeakPolarHBondContact O-CB 3.29Å; L597-T603 PolarHBondContact O-OG1 2.9Å; L598-T603 HydrophobicContact CD2-CG2 4.34Å; H600-T603 WeakPolarHBondContact O-CB 3.16Å; H600-T603 PolarHBondContact O-N 3.19Å; S601-T603 VanDerWaalsContact C-N 3.32Å; T603-V623 HydrophobicContact CG2-CG1 3.93Å; T603-V623 HydrophobicContact CG2-CG2 4.21Å |
| 604 | I | 98.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 31 Ų | 31 | 27% | 0.272 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -17 | -169.7 | 57.5 | 169.9 | 0 | 0 | 0 | 113.7 | T535 Y567 K602 L668 | T535-I604 WeakPolarHBondContact O-CG1 2.71Å; T535-I604 PolarHBondContact O-N 3.48Å; Y567-I604 HydrophobicContact CD1-CD1 3.62Å; Y567-I604 HydrophobicContact CE1-CD1 3.33Å; K602-I604 PolarHBondContact O-N 3.02Å; I604-L668 HydrophobicContact CD1-CD2 3.46Å; I604-L668 VanDerWaalsContact CD1-CD2 3.46Å; I604-L668 HydrophobicContact CG1-CD2 3.94Å |
| 605 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 133.4 | 178 | 177.4 | 61.7 | 0 | 0 | 0 | 110 | I536 V537 I607 L626 M664 V667 L668 | I536-L605 WeakPolarHBondContact CA-O 3.49Å; I536-L605 HydrophobicContact CD1-CD2 4.38Å; I536-L605 HydrophobicContact CG1-CB 4.23Å; I536-L605 HydrophobicContact CG1-CD2 4.41Å; I536-L605 HydrophobicContact CG2-CB 4.24Å; I536-L605 HydrophobicContact CG2-CD2 4.03Å; I536-L605 HydrophobicContact CG2-CG 4.16Å; V537-L605 PolarHBondContact N-O 3.27Å; L605-I607 HydrophobicContact CD2-CD1 4.43Å; L605-I607 HydrophobicContact CD2-CG1 4.22Å; L605-I607 HydrophobicContact CG-CG1 4.16Å; L605-L626 HydrophobicContact CD1-CB 4.32Å; L605-M664 HydrophobicContact CD2-CB 4.23Å; L605-M664 HydrophobicContact CD2-CG 4.11Å; L605-V667 HydrophobicContact CD1-CB 4.16Å; L605-V667 HydrophobicContact CD1-CG1 3.69Å; L605-L668 HydrophobicContact CB-CD2 4.11Å; L605-L668 HydrophobicContact CD2-CD2 4.31Å; L605-L668 HydrophobicContact CD2-CG 4.24Å |
| 606 | F | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.1 | 171 | 178.3 | -140.4 | 0 | 0 | 0 | 110.5 | V537 L594 L598 T608 A618 V623 P624 M625 L626 | V537-F606 HydrophobicContact CB-CD2 4.18Å; V537-F606 HydrophobicContact CG1-CD2 4.13Å; V537-F606 HydrophobicContact CG1-CE2 4.33Å; V537-F606 CarbonylContact O-C 3.48Å; V537-F606 WeakPolarHBondContact O-CA 3.19Å; V537-F606 WeakPolarHBondContact O-CD2 3.27Å; L594-F606 HydrophobicContact CD1-CD2 4.34Å; L594-F606 HydrophobicContact CD1-CE2 3.75Å; L594-F606 HydrophobicContact CD1-CZ 4.09Å; L594-F606 HydrophobicContact CD2-CE2 4.46Å; L594-F606 HydrophobicContact CD2-CZ 4.07Å; L598-F606 HydrophobicContact CD1-CE1 4.5Å; L598-F606 HydrophobicContact CD2-CB 3.84Å; L598-F606 HydrophobicContact CD2-CD1 4.17Å; L598-F606 HydrophobicContact CD2-CD2 4.07Å; L598-F606 HydrophobicContact CD2-CG 3.78Å; F606-T608 HydrophobicContact CD1-CG2 3.96Å; F606-T608 VanDerWaalsContact CE1-CB 3.43Å; F606-T608 HydrophobicContact CE1-CG2 3.85Å; F606-T608 VanDerWaalsContact CZ-CB 3.45Å; F606-T608 HydrophobicContact CZ-CG2 4.37Å; F606-T608 WeakPolarHBondContact CZ-OG1 3.32Å; F606-A618 HydrophobicContact CD1-CB 3.59Å; F606-A618 HydrophobicContact CE1-CB 4.23Å; F606-A618 HydrophobicContact CG-CB 4.47Å; F606-V623 HydrophobicContact CB-CG1 3.78Å; F606-P624 PolarHBondContact N-O 3.49Å; F606-M625 HydrophobicContact CB-CG 4.01Å; F606-M625 HydrophobicContact CD1-CG 3.82Å; F606-M625 HydrophobicContact CD1-SD 3.91Å; F606-M625 HydrophobicContact CE1-SD 4.48Å; F606-M625 HydrophobicContact CG-CG 4.32Å; F606-M625 CarbonylContact O-C 3.38Å; F606-M625 WeakPolarHBondContact O-CA 3.36Å; F606-L626 PolarHBondContact O-N 3.1Å |
| 607 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.2 | 173.9 | -47.1 | -179 | 0 | 0 | 0 | 107.8 | I536 V537 F538 S539 F561 L605 L626 I628 F660 M664 | I536-I607 HydrophobicContact CG2-CD1 3.7Å; I536-I607 HydrophobicContact CG2-CG1 3.9Å; V537-I607 PolarHBondContact O-N 3Å; F538-I607 WeakPolarHBondContact CA-O 3.5Å; F538-I607 HydrophobicContact CB-CB 4.24Å; F538-I607 HydrophobicContact CD2-CB 3.44Å; F538-I607 VanDerWaalsContact CD2-CB 3.44Å; F538-I607 HydrophobicContact CD2-CG2 3.38Å; F538-I607 WeakPolarHBondContact CD2-O 3.42Å; F538-I607 HydrophobicContact CE2-CB 3.97Å; F538-I607 HydrophobicContact CE2-CG2 3.33Å; F538-I607 HydrophobicContact CG-CB 4.09Å; F538-I607 HydrophobicContact CG-CG2 4.31Å; F538-I607 HydrophobicContact CZ-CG2 4.3Å; S539-I607 PolarHBondContact N-O 3.41Å; F561-I607 HydrophobicContact CE1-CD1 3.9Å; F561-I607 HydrophobicContact CZ-CD1 4.2Å; L605-I607 HydrophobicContact CD2-CD1 4.43Å; L605-I607 HydrophobicContact CD2-CG1 4.22Å; L605-I607 HydrophobicContact CG-CG1 4.16Å; I607-L626 CarbonylContact C-O 3.58Å; I607-L626 VanDerWaalsContact CA-O 3.28Å; I607-L626 WeakPolarHBondContact CA-O 3.37Å; I607-L626 HydrophobicContact CB-CB 4.49Å; I607-L626 HydrophobicContact CD1-CD2 4.3Å; I607-L626 HydrophobicContact CG1-CB 4.17Å; I607-L626 HydrophobicContact CG1-CD2 4.37Å; I607-L626 HydrophobicContact CG2-CB 4.24Å; I607-L626 HydrophobicContact CG2-CD2 4.25Å; I607-L626 HydrophobicContact CG2-CG 4.37Å; I607-I628 HydrophobicContact CG2-CD1 4.44Å; I607-F660 HydrophobicContact CD1-CE1 4.43Å; I607-F660 HydrophobicContact CD1-CE2 4.18Å; I607-F660 HydrophobicContact CD1-CZ 3.61Å; I607-F660 HydrophobicContact CG2-CE2 3.95Å; I607-F660 HydrophobicContact CG2-CZ 4.05Å; I607-M664 HydrophobicContact CD1-CG 3.99Å; I607-M664 HydrophobicContact CD1-SD 3.6Å; I607-M664 VanDerWaalsContact CD1-SD 3.6Å |
| 608 | T | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 163.8 | -167.5 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | F540 F606 S610 M625 L626 S627 I628 | F540-T608 VanDerWaalsContact CE2-C 3.42Å; F606-T608 HydrophobicContact CD1-CG2 3.96Å; F606-T608 VanDerWaalsContact CE1-CB 3.43Å; F606-T608 HydrophobicContact CE1-CG2 3.85Å; F606-T608 VanDerWaalsContact CZ-CB 3.45Å; F606-T608 HydrophobicContact CZ-CG2 4.37Å; F606-T608 WeakPolarHBondContact CZ-OG1 3.32Å; T608-S610 PolarHBondContact OG1-N 2.96Å; T608-M625 HydrophobicContact CG2-CB 4.47Å; T608-M625 HydrophobicContact CG2-CG 4.15Å; T608-M625 HydrophobicContact CG2-SD 3.84Å; T608-L626 PolarHBondContact N-O 3.49Å; T608-S627 CarbonylContact O-C 2.98Å; T608-S627 WeakPolarHBondContact O-CA 3.4Å; T608-I628 PolarHBondContact O-N 2.69Å |
| 609 | H | 96 | Very high | 95 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 9% | 0.088 | 15% | 0.15 | C | C | . | . | trans | -85.1 | 1.9 | 165.4 | 69 | -58 | 0 | 0 | 0 | 112.4 | F540 G611 I628 L630 Q634 | F540-H609 VanDerWaalsContact C-ND1 3.31Å; F540-H609 VanDerWaalsContact CA-ND1 3.34Å; F540-H609 WeakPolarHBondContact CA-ND1 3.37Å; F540-H609 HydrophobicContact CB-CB 4.34Å; F540-H609 HydrophobicContact CD1-CB 4.35Å; F540-H609 HydrophobicContact CD2-CB 4.08Å; F540-H609 HydrophobicContact CE2-CB 4.44Å; F540-H609 HydrophobicContact CG-CB 4.03Å; F540-H609 PolarHBondContact O-CE1 3.42Å; F540-H609 PolarHBondContact O-ND1 3.02Å; F540-H609 PolarHBondContact O-NE2 3.34Å; H609-G611 WeakPolarHBondContact NE2-CA 3.43Å; H609-G611 PolarHBondContact NE2-N 2.92Å; H609-I628 WeakPolarHBondContact CA-O 3.32Å; H609-L630 HydrophobicContact CB-CD1 4.37Å; H609-L630 HydrophobicContact CB-CG 4.17Å; H609-Q634 PolarHBondContact CD2-NE2 3.28Å; H609-Q634 VanDerWaalsContact O-CB 3.25Å; H609-Q634 WeakPolarHBondContact O-CB 3.48Å; H609-Q634 WeakPolarHBondContact O-CG 3.34Å | ||
| 610 | S | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | 62.2 | 36.4 | -173.5 | -69.4 | 0 | 0 | 0 | 0 | 114.6 | T608 I612 S627 I637 T638 | T608-S610 PolarHBondContact OG1-N 2.96Å; S610-I612 PolarHBondContact O-N 3.12Å; S610-S627 WeakPolarHBondContact CB-OG 3.26Å; S610-S627 VanDerWaalsContact OG-CB 3.24Å; S610-S627 WeakPolarHBondContact OG-CB 3.01Å; S610-S627 PolarHBondContact OG-OG 3.21Å; S610-I637 WeakPolarHBondContact O-CD1 3.37Å; S610-T638 WeakPolarHBondContact CB-OG1 3.47Å; S610-T638 PolarHBondContact OG-OG1 3.27Å | ||
| 611 | G | 92.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | trans | -59.5 | 131.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H609 K613 S614 F615 | H609-G611 WeakPolarHBondContact NE2-CA 3.43Å; H609-G611 PolarHBondContact NE2-N 2.92Å; G611-K613 VanDerWaalsContact C-N 3.27Å; G611-K613 PolarHBondContact O-N 3.42Å; G611-K613 VanDerWaalsContact O-N 3.07Å; G611-S614 PolarHBondContact O-N 3.47Å; G611-S614 PolarHBondContact O-OG 2.93Å; G611-S614 VanDerWaalsContact O-OG 3.05Å; G611-F615 WeakPolarHBondContact O-CB 3.42Å; G611-F615 PolarHBondContact O-N 3.08Å | ||
| 612 | I | 88.5 | Confident | 94.9 | Very high | 51 Ų | 51 | 21 Ų | 21 | 26% | 0.262 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -48.7 | -42.1 | -168.1 | -171.2 | 131.8 | 0 | 0 | 0 | 114.4 | G490 M492 S610 R616 I637 | G490-I612 WeakPolarHBondContact O-CD1 3.46Å; M492-I612 HydrophobicContact CE-CB 4.17Å; M492-I612 HydrophobicContact CE-CD1 3.35Å; M492-I612 HydrophobicContact CE-CG1 3.37Å; M492-I612 HydrophobicContact CG-CD1 4.34Å; S610-I612 PolarHBondContact O-N 3.12Å; I612-R616 VanDerWaalsContact O-CG 3.23Å; I612-R616 WeakPolarHBondContact O-CG 3.45Å; I612-R616 PolarHBondContact O-N 3.41Å; I612-I637 HydrophobicContact CB-CD1 3.95Å; I612-I637 HydrophobicContact CD1-CD1 4.14Å; I612-I637 HydrophobicContact CG1-CD1 4.43Å |
| 613 | K | 88.8 | Confident | 94.9 | Very high | 136 Ų | 136 | 17.4 Ų | 17.4 | 59% | 0.591 | 9% | 0.088 | S | C | * | . | H | α-helix | trans | -66.4 | -57.9 | -179 | -173.9 | -177.7 | 177.1 | -174.9 | 0 | 112.2 | Y511 G611 F615 R616 E617 | Y511-K613 WeakPolarHBondContact OH-CA 3.34Å; Y511-K613 PolarHBondContact OH-O 3.23Å; G611-K613 VanDerWaalsContact C-N 3.27Å; G611-K613 PolarHBondContact O-N 3.42Å; G611-K613 VanDerWaalsContact O-N 3.07Å; K613-F615 VanDerWaalsContact C-N 3.28Å; K613-F615 PolarHBondContact O-N 3.23Å; K613-R616 PolarHBondContact O-N 2.77Å; K613-E617 VanDerWaalsContact CE-OE1 3.24Å; K613-E617 WeakPolarHBondContact CE-OE1 3.04Å; K613-E617 WeakPolarHBondContact O-CG 3.11Å; K613-E617 PolarHBondContact O-N 2.99Å |
| 614 | S | 92.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.2 | -33.2 | -179 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | G611 R616 E617 A618 | G611-S614 PolarHBondContact O-N 3.47Å; G611-S614 PolarHBondContact O-OG 2.93Å; G611-S614 VanDerWaalsContact O-OG 3.05Å; S614-R616 VanDerWaalsContact C-N 3.34Å; S614-R616 PolarHBondContact O-N 3.49Å; S614-E617 PolarHBondContact O-N 3.35Å; S614-A618 WeakPolarHBondContact O-CB 3.35Å; S614-A618 PolarHBondContact O-N 2.72Å |
| 615 | F | 93.6 | Very high | 95 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 174.3 | -179.5 | -96 | 0 | 0 | 0 | 111.2 | M492 L496 G611 K613 A618 V619 M625 I637 M641 F646 | M492-F615 HydrophobicContact CE-CD1 3.73Å; M492-F615 HydrophobicContact CE-CE1 4.21Å; M492-F615 HydrophobicContact SD-CD1 3.92Å; M492-F615 HydrophobicContact SD-CE1 3.77Å; L496-F615 HydrophobicContact CD1-CD1 4.5Å; L496-F615 HydrophobicContact CD1-CE1 3.78Å; G611-F615 WeakPolarHBondContact O-CB 3.42Å; G611-F615 PolarHBondContact O-N 3.08Å; K613-F615 VanDerWaalsContact C-N 3.28Å; K613-F615 PolarHBondContact O-N 3.23Å; F615-A618 PolarHBondContact O-N 2.94Å; F615-V619 HydrophobicContact CD1-CG2 4.39Å; F615-V619 HydrophobicContact CE1-CG2 4.12Å; F615-V619 HydrophobicContact CZ-CG2 4.43Å; F615-V619 WeakPolarHBondContact O-CG2 3.14Å; F615-V619 PolarHBondContact O-N 3.46Å; F615-M625 HydrophobicContact CD2-CE 3.57Å; F615-M625 HydrophobicContact CD2-SD 3.59Å; F615-M625 VanDerWaalsContact CD2-SD 3.59Å; F615-M625 HydrophobicContact CE2-CE 3.49Å; F615-M625 VanDerWaalsContact CE2-CE 3.49Å; F615-M625 HydrophobicContact CE2-SD 4Å; F615-M625 HydrophobicContact CG-CE 4.33Å; F615-M625 HydrophobicContact CG-SD 4.44Å; F615-M625 HydrophobicContact CZ-CE 4.22Å; F615-I637 HydrophobicContact CB-CG2 4.14Å; F615-I637 HydrophobicContact CD1-CG2 3.65Å; F615-I637 HydrophobicContact CD2-CG2 3.47Å; F615-I637 VanDerWaalsContact CD2-CG2 3.47Å; F615-I637 HydrophobicContact CE1-CG2 3.77Å; F615-I637 HydrophobicContact CE2-CG2 3.61Å; F615-I637 HydrophobicContact CG-CG2 3.46Å; F615-I637 VanDerWaalsContact CG-CG2 3.46Å; F615-I637 HydrophobicContact CZ-CG2 3.74Å; F615-M641 HydrophobicContact CE2-CB 3.75Å; F615-M641 HydrophobicContact CE2-CG 4.31Å; F615-M641 HydrophobicContact CE2-SD 4.4Å; F615-M641 HydrophobicContact CZ-CB 3.96Å; F615-F646 HydrophobicContact CE1-CZ 4.4Å; F615-F646 AromaticContact CE2-CE2 3.98Å; F615-F646 HydrophobicContact CE2-CE2 3.98Å; F615-F646 HydrophobicContact CE2-CZ 4.33Å; F615-F646 AromaticContact CZ-CE2 3.77Å; F615-F646 HydrophobicContact CZ-CE2 3.77Å; F615-F646 AromaticContact CZ-CZ 3.66Å; F615-F646 HydrophobicContact CZ-CZ 3.66Å |
| 616 | R | 90.3 | Very high | 95 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.3 | -40.3 | 178.5 | -69.8 | 173.9 | 66.3 | 100.2 | 43.4 | 112.1 | S491 M492 P493 D510 Y511 I612 K613 S614 A618 V619 C620 | S491-R616 PolarHBondContact O-NH1 2.93Å; M492-R616 HydrophobicContact CE-CG 4.28Å; P493-R616 VanDerWaalsContact CD-CZ 3.49Å; P493-R616 VanDerWaalsContact CD-NH1 3.3Å; D510-R616 IonicContact OD1-CZ 3.1Å; D510-R616 IonicContact OD1-NE 2.76Å; D510-R616 IonicContact OD1-NH1 3.99Å; D510-R616 IonicContact OD1-NH2 3.35Å; D510-R616 PolarHBondContact OD1-NH2 3.47Å; D510-R616 IonicContact OD2-CZ 2.66Å; D510-R616 IonicContact OD2-NH1 3.82Å; D510-R616 PolarHBondContact OD2-NH1 3.41Å; D510-R616 IonicContact OD2-NH2 3.64Å; D510-R616 PolarHBondContact OD2-NH2 3.01Å; Y511-R616 VanDerWaalsContact OH-CB 3.32Å; Y511-R616 WeakPolarHBondContact OH-CB 2.99Å; Y511-R616 WeakPolarHBondContact OH-CD 3.46Å; I612-R616 VanDerWaalsContact O-CG 3.23Å; I612-R616 WeakPolarHBondContact O-CG 3.45Å; I612-R616 PolarHBondContact O-N 3.41Å; K613-R616 PolarHBondContact O-N 2.77Å; S614-R616 VanDerWaalsContact C-N 3.34Å; S614-R616 PolarHBondContact O-N 3.49Å; R616-A618 VanDerWaalsContact C-N 3.28Å; R616-A618 PolarHBondContact O-N 2.78Å; R616-V619 PolarHBondContact O-N 3.45Å; R616-C620 WeakPolarHBondContact O-CB 3.12Å; R616-C620 PolarHBondContact O-N 3.21Å; R616-C620 PolarHBondContact O-SG 3.42Å |
| 617 | E | 92.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 5% | 0.051 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.2 | -43.9 | 173.5 | -68.4 | 168.9 | 175.5 | 0 | 0 | 111 | P514 L598 K613 S614 V619 C620 F621 | P514-E617 HydrophobicContact CG-CG 4.09Å; L598-E617 HydrophobicContact CD1-CB 3.8Å; K613-E617 VanDerWaalsContact CE-OE1 3.24Å; K613-E617 WeakPolarHBondContact CE-OE1 3.04Å; K613-E617 WeakPolarHBondContact O-CG 3.11Å; K613-E617 PolarHBondContact O-N 2.99Å; S614-E617 PolarHBondContact O-N 3.35Å; E617-V619 PolarHBondContact O-N 3.37Å; E617-C620 WeakPolarHBondContact O-CB 3.07Å; E617-C620 PolarHBondContact O-N 3.2Å; E617-F621 HydrophobicContact CB-CE2 4.47Å; E617-F621 WeakPolarHBondContact O-CD2 3.37Å; E617-F621 PolarHBondContact O-N 3.41Å |
| 618 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L598 F606 S614 F615 R616 F621 A622 V623 M625 | L598-A618 HydrophobicContact CD1-CB 4.27Å; F606-A618 HydrophobicContact CD1-CB 3.59Å; F606-A618 HydrophobicContact CE1-CB 4.23Å; F606-A618 HydrophobicContact CG-CB 4.47Å; S614-A618 WeakPolarHBondContact O-CB 3.35Å; S614-A618 PolarHBondContact O-N 2.72Å; F615-A618 PolarHBondContact O-N 2.94Å; R616-A618 VanDerWaalsContact C-N 3.28Å; R616-A618 PolarHBondContact O-N 2.78Å; A618-F621 CarbonylContact O-C 3.49Å; A618-A622 CarbonylContact O-C 3.53Å; A618-A622 WeakPolarHBondContact O-CA 3.27Å; A618-A622 PolarHBondContact O-N 2.86Å; A618-V623 HydrophobicContact CB-CB 4.45Å; A618-V623 PolarHBondContact O-N 3.37Å; A618-M625 HydrophobicContact CB-CE 3.95Å; A618-M625 HydrophobicContact CB-CG 4.17Å; A618-M625 HydrophobicContact CB-SD 3.75Å |
| 619 | V | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | L496 F615 R616 E617 F621 A622 M625 F646 I677 L680 S681 L684 | L496-V619 HydrophobicContact CD1-CB 4.21Å; L496-V619 HydrophobicContact CD1-CG1 4.02Å; L496-V619 HydrophobicContact CD1-CG2 3.81Å; L496-V619 HydrophobicContact CD2-CG1 4.27Å; F615-V619 HydrophobicContact CD1-CG2 4.39Å; F615-V619 HydrophobicContact CE1-CG2 4.12Å; F615-V619 HydrophobicContact CZ-CG2 4.43Å; F615-V619 WeakPolarHBondContact O-CG2 3.14Å; F615-V619 PolarHBondContact O-N 3.46Å; R616-V619 PolarHBondContact O-N 3.45Å; E617-V619 PolarHBondContact O-N 3.37Å; V619-F621 VanDerWaalsContact C-N 3.32Å; V619-F621 PolarHBondContact O-N 3.16Å; V619-A622 PolarHBondContact O-N 3.2Å; V619-M625 HydrophobicContact CG2-CE 4.02Å; V619-F646 HydrophobicContact CG2-CE2 3.97Å; V619-F646 HydrophobicContact CG2-CZ 4Å; V619-I677 HydrophobicContact CB-CD1 4.45Å; V619-I677 HydrophobicContact CB-CG1 4.42Å; V619-I677 HydrophobicContact CG1-CG1 4.19Å; V619-I677 HydrophobicContact CG2-CD1 4.14Å; V619-I677 HydrophobicContact CG2-CG1 4.34Å; V619-L680 HydrophobicContact CG1-CB 4.24Å; V619-S681 WeakPolarHBondContact O-CB 3.29Å; V619-L684 HydrophobicContact CB-CD1 4.39Å; V619-L684 HydrophobicContact CG1-CD1 3.5Å |
| 620 | C | 93.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 16.8 Ų | 16.8 | 8% | 0.081 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.1 | -47.9 | 175.8 | -84.9 | 0 | 0 | 0 | 0 | 111.9 | C513 R616 E617 A622 S681 | C513-C620 WeakPolarHBondContact CA-SG 3.38Å; C513-C620 HydrophobicContact CB-CB 3.64Å; C513-C620 WeakPolarHBondContact CB-SG 3.4Å; C513-C620 WeakPolarHBondContact SG-CB 3.35Å; C513-C620 CovalentContact SG-SG 2.04Å; C513-C620 PolarHBondContact SG-SG 3.14Å; R616-C620 WeakPolarHBondContact O-CB 3.12Å; R616-C620 PolarHBondContact O-N 3.21Å; R616-C620 PolarHBondContact O-SG 3.42Å; E617-C620 WeakPolarHBondContact O-CB 3.07Å; E617-C620 PolarHBondContact O-N 3.2Å; C620-A622 VanDerWaalsContact C-N 3.26Å; C620-A622 PolarHBondContact O-N 3.09Å; C620-S681 PolarHBondContact O-OG 3.23Å |
| 621 | F | 95.9 | Very high | 94.6 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 17% | 0.167 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.9 | 178.7 | -56.1 | -54.1 | 0 | 0 | 0 | 113.8 | P514 V516 P595 L598 Q599 E617 A618 V619 V623 | P514-F621 HydrophobicContact CG-CE2 4.01Å; P514-F621 HydrophobicContact CG-CZ 3.86Å; P514-F621 WeakPolarHBondContact O-CZ 3.3Å; V516-F621 HydrophobicContact CG2-CZ 4.04Å; P595-F621 WeakPolarHBondContact O-CE2 3.47Å; L598-F621 HydrophobicContact CB-CB 4.46Å; L598-F621 HydrophobicContact CB-CD2 3.68Å; L598-F621 HydrophobicContact CB-CE2 4.42Å; L598-F621 HydrophobicContact CB-CG 4.47Å; L598-F621 VanDerWaalsContact O-CB 3.27Å; L598-F621 WeakPolarHBondContact O-CB 3.3Å; Q599-F621 HydrophobicContact CB-CD1 3.86Å; Q599-F621 HydrophobicContact CB-CD2 4.22Å; Q599-F621 HydrophobicContact CB-CE1 3.73Å; Q599-F621 HydrophobicContact CB-CE2 4.08Å; Q599-F621 HydrophobicContact CB-CG 4.11Å; Q599-F621 HydrophobicContact CB-CZ 3.83Å; Q599-F621 HydrophobicContact CG-CD1 3.91Å; Q599-F621 HydrophobicContact CG-CE1 3.65Å; Q599-F621 HydrophobicContact CG-CZ 4.15Å; E617-F621 HydrophobicContact CB-CE2 4.47Å; E617-F621 WeakPolarHBondContact O-CD2 3.37Å; E617-F621 PolarHBondContact O-N 3.41Å; A618-F621 CarbonylContact O-C 3.49Å; V619-F621 VanDerWaalsContact C-N 3.32Å; V619-F621 PolarHBondContact O-N 3.16Å; F621-V623 VanDerWaalsContact C-N 3.34Å; F621-V623 HydrophobicContact CB-CG2 4.27Å; F621-V623 PolarHBondContact O-N 3.48Å |
| 622 | A | 97 | Very high | 94.5 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A618 V619 C620 P624 K674 I677 A678 | A618-A622 CarbonylContact O-C 3.53Å; A618-A622 WeakPolarHBondContact O-CA 3.27Å; A618-A622 PolarHBondContact O-N 2.86Å; V619-A622 PolarHBondContact O-N 3.2Å; C620-A622 VanDerWaalsContact C-N 3.26Å; C620-A622 PolarHBondContact O-N 3.09Å; A622-P624 WeakPolarHBondContact O-CD 3.43Å; A622-K674 VanDerWaalsContact O-CD 3.24Å; A622-K674 WeakPolarHBondContact O-CD 3.28Å; A622-K674 VanDerWaalsContact O-CE 3.29Å; A622-K674 WeakPolarHBondContact O-CE 3.43Å; A622-K674 PolarHBondContact O-NZ 2.9Å; A622-I677 VanDerWaalsContact C-CG2 3.47Å; A622-I677 HydrophobicContact CB-CG2 4.15Å; A622-I677 VanDerWaalsContact O-CG2 3.26Å; A622-I677 WeakPolarHBondContact O-CG2 3.44Å; A622-A678 HydrophobicContact CB-CB 4.16Å |
| 623 | V | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | trans | -96.1 | 113.5 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | L598 T603 F606 A618 F621 I677 | L598-V623 HydrophobicContact CD2-CB 4.34Å; L598-V623 HydrophobicContact CD2-CG1 4.31Å; L598-V623 HydrophobicContact CD2-CG2 4.25Å; L598-V623 WeakPolarHBondContact O-CG2 3.32Å; T603-V623 HydrophobicContact CG2-CG1 3.93Å; T603-V623 HydrophobicContact CG2-CG2 4.21Å; F606-V623 HydrophobicContact CB-CG1 3.78Å; A618-V623 HydrophobicContact CB-CB 4.45Å; A618-V623 PolarHBondContact O-N 3.37Å; F621-V623 VanDerWaalsContact C-N 3.34Å; F621-V623 HydrophobicContact CB-CG2 4.27Å; F621-V623 PolarHBondContact O-N 3.48Å; V623-I677 WeakPolarHBondContact O-CD1 3.49Å | ||
| 624 | P | 98.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | trans | -53.9 | 153.6 | 174.2 | -28.2 | 37 | 0 | 0 | 0 | 112.8 | F606 A622 V667 K674 I677 | F606-P624 PolarHBondContact N-O 3.49Å; A622-P624 WeakPolarHBondContact O-CD 3.43Å; P624-V667 HydrophobicContact CB-CG1 3.64Å; P624-K674 HydrophobicContact CG-CB 3.89Å; P624-K674 HydrophobicContact CG-CD 3.99Å; P624-I677 HydrophobicContact CG-CG2 4.17Å | ||
| 625 | M | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.9 | -171.6 | -79.3 | 177.4 | -80.2 | 0 | 0 | 114.5 | F606 T608 F615 A618 V619 M641 F646 G647 I648 I677 | F606-M625 HydrophobicContact CB-CG 4.01Å; F606-M625 HydrophobicContact CD1-CG 3.82Å; F606-M625 HydrophobicContact CD1-SD 3.91Å; F606-M625 HydrophobicContact CE1-SD 4.48Å; F606-M625 HydrophobicContact CG-CG 4.32Å; F606-M625 CarbonylContact O-C 3.38Å; F606-M625 WeakPolarHBondContact O-CA 3.36Å; T608-M625 HydrophobicContact CG2-CB 4.47Å; T608-M625 HydrophobicContact CG2-CG 4.15Å; T608-M625 HydrophobicContact CG2-SD 3.84Å; F615-M625 HydrophobicContact CD2-CE 3.57Å; F615-M625 HydrophobicContact CD2-SD 3.59Å; F615-M625 VanDerWaalsContact CD2-SD 3.59Å; F615-M625 HydrophobicContact CE2-CE 3.49Å; F615-M625 VanDerWaalsContact CE2-CE 3.49Å; F615-M625 HydrophobicContact CE2-SD 4Å; F615-M625 HydrophobicContact CG-CE 4.33Å; F615-M625 HydrophobicContact CG-SD 4.44Å; F615-M625 HydrophobicContact CZ-CE 4.22Å; A618-M625 HydrophobicContact CB-CE 3.95Å; A618-M625 HydrophobicContact CB-CG 4.17Å; A618-M625 HydrophobicContact CB-SD 3.75Å; V619-M625 HydrophobicContact CG2-CE 4.02Å; M625-M641 HydrophobicContact CB-SD 3.4Å; M625-M641 WeakPolarHBondContact CB-SD 3.38Å; M625-M641 HydrophobicContact CE-SD 4.47Å; M625-F646 HydrophobicContact CE-CD2 3.89Å; M625-F646 HydrophobicContact CE-CE2 3.45Å; M625-F646 VanDerWaalsContact CE-CE2 3.45Å; M625-F646 PolarHBondContact N-O 3.04Å; M625-G647 CarbonylContact O-C 3.55Å; M625-G647 WeakPolarHBondContact O-CA 3.25Å; M625-I648 PolarHBondContact O-N 3.49Å; M625-I648 VanDerWaalsContact O-N 3.13Å; M625-I677 HydrophobicContact CE-CD1 4.21Å |
| 626 | L | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.9 | 160 | -177 | 63.8 | 0 | 0 | 0 | 107.2 | L605 F606 I607 T608 I648 L650 F660 A663 M664 | L605-L626 HydrophobicContact CD1-CB 4.32Å; F606-L626 PolarHBondContact O-N 3.1Å; I607-L626 CarbonylContact C-O 3.58Å; I607-L626 VanDerWaalsContact CA-O 3.28Å; I607-L626 WeakPolarHBondContact CA-O 3.37Å; I607-L626 HydrophobicContact CB-CB 4.49Å; I607-L626 HydrophobicContact CD1-CD2 4.3Å; I607-L626 HydrophobicContact CG1-CB 4.17Å; I607-L626 HydrophobicContact CG1-CD2 4.37Å; I607-L626 HydrophobicContact CG2-CB 4.24Å; I607-L626 HydrophobicContact CG2-CD2 4.25Å; I607-L626 HydrophobicContact CG2-CG 4.37Å; T608-L626 PolarHBondContact N-O 3.49Å; L626-I648 HydrophobicContact CD1-CB 3.81Å; L626-I648 HydrophobicContact CD1-CG2 4.04Å; L626-L650 HydrophobicContact CD1-CD1 3.58Å; L626-L650 HydrophobicContact CD1-CG 3.73Å; L626-L650 HydrophobicContact CD2-CD1 3.7Å; L626-L650 HydrophobicContact CG-CD1 3.74Å; L626-L650 HydrophobicContact CG-CG 4.32Å; L626-F660 HydrophobicContact CD2-CD2 3.88Å; L626-F660 HydrophobicContact CD2-CE2 3.59Å; L626-F660 HydrophobicContact CD2-CZ 4.47Å; L626-A663 HydrophobicContact CD1-CB 3.7Å; L626-A663 HydrophobicContact CD2-CB 4.34Å; L626-M664 HydrophobicContact CD2-CG 3.66Å |
| 627 | S | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | -174.5 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | T608 S610 T638 I648 R649 L650 | T608-S627 CarbonylContact O-C 2.98Å; T608-S627 WeakPolarHBondContact O-CA 3.4Å; S610-S627 WeakPolarHBondContact CB-OG 3.26Å; S610-S627 VanDerWaalsContact OG-CB 3.24Å; S610-S627 WeakPolarHBondContact OG-CB 3.01Å; S610-S627 PolarHBondContact OG-OG 3.21Å; S627-T638 PolarHBondContact OG-OG1 2.96Å; S627-I648 PolarHBondContact N-O 2.96Å; S627-R649 CarbonylContact O-C 3.49Å; S627-R649 WeakPolarHBondContact O-CA 3.4Å; S627-L650 PolarHBondContact O-N 2.94Å |
| 628 | I | 97.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | -119.3 | 83.5 | 172 | -57.3 | 161 | 0 | 0 | 0 | 107.2 | F540 I607 T608 H609 L630 L650 K652 L655 F660 | F540-I628 HydrophobicContact CE1-CB 4.45Å; F540-I628 HydrophobicContact CZ-CB 3.75Å; F540-I628 HydrophobicContact CZ-CD1 3.85Å; F540-I628 HydrophobicContact CZ-CG1 4.32Å; F540-I628 HydrophobicContact CZ-CG2 4.28Å; I607-I628 HydrophobicContact CG2-CD1 4.44Å; T608-I628 PolarHBondContact O-N 2.69Å; H609-I628 WeakPolarHBondContact CA-O 3.32Å; I628-L630 PolarHBondContact O-N 3Å; I628-L650 HydrophobicContact CD1-CD1 4.46Å; I628-L650 HydrophobicContact CG1-CB 3.8Å; I628-L650 HydrophobicContact CG1-CD1 4.22Å; I628-K652 HydrophobicContact CG2-CB 3.73Å; I628-L655 HydrophobicContact CD1-CD1 4.41Å; I628-L655 HydrophobicContact CD1-CD2 4.15Å; I628-F660 HydrophobicContact CD1-CD2 4.33Å; I628-F660 HydrophobicContact CD1-CE2 3.85Å | ||
| 629 | P | 96.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | trans | -65.8 | 133.6 | -177.6 | 26.7 | -34 | 0 | 0 | 0 | 110.9 | Q634 V635 T638 R649 | P629-Q634 HydrophobicContact CB-CB 3.9Å; P629-V635 HydrophobicContact CB-CG2 4.07Å; P629-V635 HydrophobicContact CG-CG2 4.45Å; P629-T638 HydrophobicContact CG-CG2 4.34Å; P629-R649 HydrophobicContact CG-CG 4.32Å | ||
| 630 | L | 94.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 22% | 0.22 | 17% | 0.17 | C | C | . | . | trans | -93 | -46.2 | -178.5 | -59.1 | -179.3 | 0 | 0 | 0 | 112.2 | F540 A544 H609 I628 K652 | F540-L630 HydrophobicContact CD1-CD1 4.01Å; F540-L630 HydrophobicContact CD1-CD2 4.4Å; F540-L630 HydrophobicContact CD1-CG 4.45Å; F540-L630 HydrophobicContact CE1-CD2 4.16Å; A544-L630 HydrophobicContact CB-CD1 3.72Å; H609-L630 HydrophobicContact CB-CD1 4.37Å; H609-L630 HydrophobicContact CB-CG 4.17Å; I628-L630 PolarHBondContact O-N 3Å; L630-K652 HydrophobicContact CD2-CD 4.08Å; L630-K652 PolarHBondContact O-NZ 3.13Å | ||
| 631 | F | 91.4 | Very high | 94.5 | Very high | 113 Ų | 113 | 29.3 Ų | 29.3 | 50% | 0.496 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -166.3 | 171.3 | -178.8 | 61.5 | -90 | 0 | 0 | 0 | 112.9 | L543 Q634 | L543-F631 HydrophobicContact CD1-CZ 4.35Å; F631-Q634 VanDerWaalsContact N-OE1 3.16Å; F631-Q634 VanDerWaalsContact O-CB 3.25Å; F631-Q634 WeakPolarHBondContact O-CB 3.43Å; F631-Q634 VanDerWaalsContact O-CG 3.31Å; F631-Q634 WeakPolarHBondContact O-CG 3.48Å; F631-Q634 PolarHBondContact O-NE2 3.11Å; F631-Q634 PolarHBondContact O-OE1 3.18Å |
| 632 | G | 89.4 | Confident | 94.5 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 59% | 0.588 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -140 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q634 | G632-Q634 PolarHBondContact O-N 2.73Š|
| 633 | D | 88.2 | Confident | 94.2 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.1 | -179.1 | 64.4 | -34.7 | 0 | 0 | 0 | 113.5 | V635 R636 I637 | D633-V635 PolarHBondContact O-N 3.34Å; D633-R636 WeakPolarHBondContact O-CB 3.38Å; D633-R636 PolarHBondContact O-N 2.83Å; D633-I637 HydrophobicContact CB-CD1 4.41Å; D633-I637 WeakPolarHBondContact O-CG1 3.49Å; D633-I637 PolarHBondContact O-N 3.31Å; D633-I637 WeakPolarHBondContact OD2-CD1 3.22Å |
| 634 | Q | 93 | Very high | 93.8 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.6 | -38.7 | 177.9 | -63 | 162.2 | 25.8 | 0 | 0 | 112.7 | H609 P629 F631 G632 R636 I637 T638 | H609-Q634 PolarHBondContact CD2-NE2 3.28Å; H609-Q634 VanDerWaalsContact O-CB 3.25Å; H609-Q634 WeakPolarHBondContact O-CB 3.48Å; H609-Q634 WeakPolarHBondContact O-CG 3.34Å; P629-Q634 HydrophobicContact CB-CB 3.9Å; F631-Q634 VanDerWaalsContact N-OE1 3.16Å; F631-Q634 VanDerWaalsContact O-CB 3.25Å; F631-Q634 WeakPolarHBondContact O-CB 3.43Å; F631-Q634 VanDerWaalsContact O-CG 3.31Å; F631-Q634 WeakPolarHBondContact O-CG 3.48Å; F631-Q634 PolarHBondContact O-NE2 3.11Å; F631-Q634 PolarHBondContact O-OE1 3.18Å; G632-Q634 PolarHBondContact O-N 2.73Å; Q634-R636 VanDerWaalsContact C-N 3.34Å; Q634-R636 PolarHBondContact O-N 3.47Å; Q634-I637 PolarHBondContact O-N 2.03Å; Q634-T638 VanDerWaalsContact O-CB 3.24Å; Q634-T638 WeakPolarHBondContact O-CB 3.46Å; Q634-T638 PolarHBondContact O-N 2.82Å; Q634-T638 PolarHBondContact O-OG1 2.92Å |
| 635 | V | 93.3 | Very high | 93.6 | Very high | 75 Ų | 75 | 36.3 Ų | 36.3 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | P629 D633 A639 | P629-V635 HydrophobicContact CB-CG2 4.07Å; P629-V635 HydrophobicContact CG-CG2 4.45Å; D633-V635 PolarHBondContact O-N 3.34Å; V635-A639 PolarHBondContact O-N 3.37Å |
| 636 | R | 90.4 | Very high | 93.5 | Very high | 109 Ų | 109 | 36.3 Ų | 36.3 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.2 | -46.7 | 177.8 | 179.8 | -171.7 | 178.7 | -87.2 | 4.3 | 111.3 | D497 D633 Q634 T638 A639 L640 | D497-R636 IonicContact OD1-CZ 3.3Å; D497-R636 IonicContact OD1-NH1 2.63Å; D497-R636 IonicContact OD1-NH2 2.83Å; D497-R636 PolarHBondContact OD1-NH2 3.21Å; D497-R636 IonicContact OD2-CZ 3.61Å; D497-R636 IonicContact OD2-NH1 3.38Å; D497-R636 PolarHBondContact OD2-NH1 3.42Å; D497-R636 VanDerWaalsContact OD2-NH1 3.1Å; D497-R636 IonicContact OD2-NH2 3.96Å; D497-R636 PolarHBondContact OD2-NH2 3.45Å; D633-R636 WeakPolarHBondContact O-CB 3.38Å; D633-R636 PolarHBondContact O-N 2.83Å; Q634-R636 VanDerWaalsContact C-N 3.34Å; Q634-R636 PolarHBondContact O-N 3.47Å; R636-T638 VanDerWaalsContact C-N 3.25Å; R636-T638 PolarHBondContact O-N 3.2Å; R636-A639 WeakPolarHBondContact O-CB 3.47Å; R636-A639 PolarHBondContact O-N 3.14Å; R636-A639 VanDerWaalsContact O-N 3.08Å; R636-L640 PolarHBondContact O-N 3.01Å |
| 637 | I | 92 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 178.5 | -64.5 | 168 | 0 | 0 | 0 | 110.3 | M492 S610 I612 F615 D633 Q634 A639 L640 M641 | M492-I637 HydrophobicContact CE-CD1 3.85Å; M492-I637 HydrophobicContact CE-CG1 3.86Å; M492-I637 HydrophobicContact CE-CG2 4Å; M492-I637 HydrophobicContact CG-CG1 4.44Å; M492-I637 HydrophobicContact SD-CG1 4.14Å; M492-I637 HydrophobicContact SD-CG2 4.15Å; S610-I637 WeakPolarHBondContact O-CD1 3.37Å; I612-I637 HydrophobicContact CB-CD1 3.95Å; I612-I637 HydrophobicContact CD1-CD1 4.14Å; I612-I637 HydrophobicContact CG1-CD1 4.43Å; F615-I637 HydrophobicContact CB-CG2 4.14Å; F615-I637 HydrophobicContact CD1-CG2 3.65Å; F615-I637 HydrophobicContact CD2-CG2 3.47Å; F615-I637 VanDerWaalsContact CD2-CG2 3.47Å; F615-I637 HydrophobicContact CE1-CG2 3.77Å; F615-I637 HydrophobicContact CE2-CG2 3.61Å; F615-I637 HydrophobicContact CG-CG2 3.46Å; F615-I637 VanDerWaalsContact CG-CG2 3.46Å; F615-I637 HydrophobicContact CZ-CG2 3.74Å; D633-I637 HydrophobicContact CB-CD1 4.41Å; D633-I637 WeakPolarHBondContact O-CG1 3.49Å; D633-I637 PolarHBondContact O-N 3.31Å; D633-I637 WeakPolarHBondContact OD2-CD1 3.22Å; Q634-I637 PolarHBondContact O-N 2.03Å; I637-A639 VanDerWaalsContact C-N 3.34Å; I637-A639 PolarHBondContact O-N 2.83Å; I637-L640 WeakPolarHBondContact O-CB 3.25Å; I637-L640 PolarHBondContact O-N 3.23Å; I637-M641 PolarHBondContact O-N 3.1Å |
| 638 | T | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.6 | -58 | 0 | 0 | 0 | 0 | 112.2 | S610 S627 P629 Q634 R636 L640 M641 V642 R649 | S610-T638 WeakPolarHBondContact CB-OG1 3.47Å; S610-T638 PolarHBondContact OG-OG1 3.27Å; S627-T638 PolarHBondContact OG-OG1 2.96Å; P629-T638 HydrophobicContact CG-CG2 4.34Å; Q634-T638 VanDerWaalsContact O-CB 3.24Å; Q634-T638 WeakPolarHBondContact O-CB 3.46Å; Q634-T638 PolarHBondContact O-N 2.82Å; Q634-T638 PolarHBondContact O-OG1 2.92Å; R636-T638 VanDerWaalsContact C-N 3.25Å; R636-T638 PolarHBondContact O-N 3.2Å; T638-L640 VanDerWaalsContact C-N 3.33Å; T638-L640 PolarHBondContact O-N 3.5Å; T638-M641 HydrophobicContact CG2-CE 3.94Å; T638-M641 WeakPolarHBondContact O-CB 3.4Å; T638-M641 PolarHBondContact O-N 2.98Å; T638-V642 WeakPolarHBondContact O-CG2 3.37Å; T638-V642 PolarHBondContact O-N 2.79Å; T638-V642 VanDerWaalsContact O-N 3.09Å; T638-R649 HydrophobicContact CG2-CB 3.53Å; T638-R649 HydrophobicContact CG2-CG 3.46Å; T638-R649 VanDerWaalsContact CG2-CG 3.46Å |
| 639 | A | 93.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V635 R636 I637 V642 M643 | V635-A639 PolarHBondContact O-N 3.37Å; R636-A639 WeakPolarHBondContact O-CB 3.47Å; R636-A639 PolarHBondContact O-N 3.14Å; R636-A639 VanDerWaalsContact O-N 3.08Å; I637-A639 VanDerWaalsContact C-N 3.34Å; I637-A639 PolarHBondContact O-N 2.83Å; A639-V642 PolarHBondContact O-N 3.47Å; A639-M643 WeakPolarHBondContact O-CB 3.24Å; A639-M643 PolarHBondContact O-N 3.49Å |
| 640 | L | 90.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 174.5 | -67.3 | 172 | 0 | 0 | 0 | 111.8 | M492 I498 R636 I637 T638 V642 M643 H644 | M492-L640 HydrophobicContact CG-CD1 4.15Å; M492-L640 HydrophobicContact SD-CD1 4.44Å; I498-L640 HydrophobicContact CG1-CD2 4.11Å; R636-L640 PolarHBondContact O-N 3.01Å; I637-L640 WeakPolarHBondContact O-CB 3.25Å; I637-L640 PolarHBondContact O-N 3.23Å; T638-L640 VanDerWaalsContact C-N 3.33Å; T638-L640 PolarHBondContact O-N 3.5Å; L640-V642 PolarHBondContact O-N 3.19Å; L640-M643 HydrophobicContact CD2-CE 4.1Å; L640-M643 HydrophobicContact CD2-SD 4.42Å; L640-M643 WeakPolarHBondContact O-CB 3.38Å; L640-M643 PolarHBondContact O-N 2.99Å; L640-H644 PolarHBondContact O-N 2.8Å; L640-H644 PolarHBondContact O-ND1 3.31Å |
| 641 | M | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.4 | 170.5 | -169.3 | 80.4 | 0 | 0 | 113.1 | F615 M625 I637 T638 H644 G645 F646 I648 | F615-M641 HydrophobicContact CE2-CB 3.75Å; F615-M641 HydrophobicContact CE2-CG 4.31Å; F615-M641 HydrophobicContact CE2-SD 4.4Å; F615-M641 HydrophobicContact CZ-CB 3.96Å; M625-M641 HydrophobicContact CB-SD 3.4Å; M625-M641 WeakPolarHBondContact CB-SD 3.38Å; M625-M641 HydrophobicContact CE-SD 4.47Å; I637-M641 PolarHBondContact O-N 3.1Å; T638-M641 HydrophobicContact CG2-CE 3.94Å; T638-M641 WeakPolarHBondContact O-CB 3.4Å; T638-M641 PolarHBondContact O-N 2.98Å; M641-H644 PolarHBondContact O-N 3.01Å; M641-G645 PolarHBondContact O-N 3.14Å; M641-F646 HydrophobicContact CB-CD2 4.26Å; M641-F646 HydrophobicContact CB-CE2 3.68Å; M641-F646 HydrophobicContact CB-CZ 3.98Å; M641-F646 HydrophobicContact CG-CD2 3.55Å; M641-F646 HydrophobicContact CG-CE2 3.44Å; M641-F646 VanDerWaalsContact CG-CE2 3.44Å; M641-F646 HydrophobicContact CG-CG 4.34Å; M641-F646 HydrophobicContact CG-CZ 4.18Å; M641-F646 PolarHBondContact O-N 3.45Å; M641-I648 WeakPolarHBondContact CE-O 3.39Å |
| 642 | V | 95.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 44.3 Ų | 44.3 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | T638 A639 L640 H644 G645 R649 | T638-V642 WeakPolarHBondContact O-CG2 3.37Å; T638-V642 PolarHBondContact O-N 2.79Å; T638-V642 VanDerWaalsContact O-N 3.09Å; A639-V642 PolarHBondContact O-N 3.47Å; L640-V642 PolarHBondContact O-N 3.19Å; V642-H644 VanDerWaalsContact C-N 3.32Å; V642-H644 PolarHBondContact O-N 3.02Å; V642-G645 WeakPolarHBondContact O-CA 3.26Å; V642-G645 PolarHBondContact O-N 3.29Å; V642-R649 HydrophobicContact CG2-CB 3.98Å |
| 643 | M | 90.7 | Very high | 93.8 | Very high | 107 Ų | 107 | 46.7 Ų | 46.7 | 53% | 0.527 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 175.9 | 179.5 | -163.1 | -63.7 | 0 | 0 | 111.9 | I498 A639 L640 G645 | I498-M643 HydrophobicContact CD1-CE 4.01Å; I498-M643 HydrophobicContact CG1-CE 3.88Å; I498-M643 HydrophobicContact CG1-SD 4.45Å; A639-M643 WeakPolarHBondContact O-CB 3.24Å; A639-M643 PolarHBondContact O-N 3.49Å; L640-M643 HydrophobicContact CD2-CE 4.1Å; L640-M643 HydrophobicContact CD2-SD 4.42Å; L640-M643 WeakPolarHBondContact O-CB 3.38Å; L640-M643 PolarHBondContact O-N 2.99Å; M643-G645 PolarHBondContact O-N 3.4Å |
| 644 | H | 91 | Very high | 94 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.9 | 177.1 | -70.1 | 89.7 | 0 | 0 | 0 | 113.3 | M495 L496 L640 M641 V642 F646 R676 L680 | M495-H644 PolarHBondContact O-NE2 2.72Å; L496-H644 PolarHBondContact O-CE1 2.95Å; L640-H644 PolarHBondContact O-N 2.8Å; L640-H644 PolarHBondContact O-ND1 3.31Å; M641-H644 PolarHBondContact O-N 3.01Å; V642-H644 VanDerWaalsContact C-N 3.32Å; V642-H644 PolarHBondContact O-N 3.02Å; H644-F646 HydrophobicContact CB-CD1 3.41Å; H644-F646 VanDerWaalsContact CB-CD1 3.41Å; H644-F646 HydrophobicContact CB-CE1 3.29Å; H644-F646 HydrophobicContact CB-CZ 4.46Å; H644-F646 AromaticContact CG-CE1 3.94Å; H644-F646 PolarHBondContact O-N 3.37Å; H644-R676 WeakPolarHBondContact O-CD 3.35Å; H644-L680 HydrophobicContact CB-CD1 3.97Å |
| 645 | G | 94.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 23.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | M641 V642 M643 Y673 R676 | M641-G645 PolarHBondContact O-N 3.14Å; V642-G645 WeakPolarHBondContact O-CA 3.26Å; V642-G645 PolarHBondContact O-N 3.29Å; M643-G645 PolarHBondContact O-N 3.4Å; G645-Y673 WeakPolarHBondContact O-CD1 3.25Å; G645-R676 WeakPolarHBondContact O-CD 3.41Å |
| 646 | F | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -105.8 | 10.8 | 177.2 | 60.6 | -100.1 | 0 | 0 | 0 | 114.9 | L496 F615 V619 M625 M641 H644 R676 I677 L680 | L496-F646 HydrophobicContact CD2-CE1 4.08Å; L496-F646 HydrophobicContact CD2-CZ 4.25Å; F615-F646 HydrophobicContact CE1-CZ 4.4Å; F615-F646 AromaticContact CE2-CE2 3.98Å; F615-F646 HydrophobicContact CE2-CE2 3.98Å; F615-F646 HydrophobicContact CE2-CZ 4.33Å; F615-F646 AromaticContact CZ-CE2 3.77Å; F615-F646 HydrophobicContact CZ-CE2 3.77Å; F615-F646 AromaticContact CZ-CZ 3.66Å; F615-F646 HydrophobicContact CZ-CZ 3.66Å; V619-F646 HydrophobicContact CG2-CE2 3.97Å; V619-F646 HydrophobicContact CG2-CZ 4Å; M625-F646 HydrophobicContact CE-CD2 3.89Å; M625-F646 HydrophobicContact CE-CE2 3.45Å; M625-F646 VanDerWaalsContact CE-CE2 3.45Å; M625-F646 PolarHBondContact N-O 3.04Å; M641-F646 HydrophobicContact CB-CD2 4.26Å; M641-F646 HydrophobicContact CB-CE2 3.68Å; M641-F646 HydrophobicContact CB-CZ 3.98Å; M641-F646 HydrophobicContact CG-CD2 3.55Å; M641-F646 HydrophobicContact CG-CE2 3.44Å; M641-F646 VanDerWaalsContact CG-CE2 3.44Å; M641-F646 HydrophobicContact CG-CG 4.34Å; M641-F646 HydrophobicContact CG-CZ 4.18Å; M641-F646 PolarHBondContact O-N 3.45Å; H644-F646 HydrophobicContact CB-CD1 3.41Å; H644-F646 VanDerWaalsContact CB-CD1 3.41Å; H644-F646 HydrophobicContact CB-CE1 3.29Å; H644-F646 HydrophobicContact CB-CZ 4.46Å; H644-F646 AromaticContact CG-CE1 3.94Å; H644-F646 PolarHBondContact O-N 3.37Å; F646-R676 HydrophobicContact CB-CB 4.38Å; F646-I677 HydrophobicContact CB-CB 3.67Å; F646-I677 HydrophobicContact CB-CD1 4.45Å; F646-I677 HydrophobicContact CB-CG1 4.23Å; F646-I677 HydrophobicContact CD2-CB 4.44Å; F646-I677 HydrophobicContact CD2-CD1 3.75Å; F646-I677 HydrophobicContact CD2-CG1 4.06Å; F646-I677 HydrophobicContact CE2-CD1 4.27Å; F646-I677 HydrophobicContact CG-CB 4.05Å; F646-I677 HydrophobicContact CG-CD1 4.23Å; F646-I677 HydrophobicContact CG-CG1 4.07Å; F646-L680 HydrophobicContact CD1-CD1 3.5Å; F646-L680 HydrophobicContact CE1-CD1 3.41Å; F646-L680 VanDerWaalsContact CE1-CD1 3.41Å |
| 647 | G | 97.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M625 | M625-G647 CarbonylContact O-C 3.55Å; M625-G647 WeakPolarHBondContact O-CA 3.25Å |
| 648 | I | 98.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.138 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.5 | 179.8 | -62.3 | 179.2 | 0 | 0 | 0 | 109.5 | M625 L626 S627 M641 A663 K666 V667 Y673 | M625-I648 PolarHBondContact O-N 3.49Å; M625-I648 VanDerWaalsContact O-N 3.13Å; L626-I648 HydrophobicContact CD1-CB 3.81Å; L626-I648 HydrophobicContact CD1-CG2 4.04Å; S627-I648 PolarHBondContact N-O 2.96Å; M641-I648 WeakPolarHBondContact CE-O 3.39Å; I648-A663 HydrophobicContact CG2-CB 4.38Å; I648-K666 HydrophobicContact CD1-CB 4.13Å; I648-K666 HydrophobicContact CD1-CD 3.71Å; I648-K666 HydrophobicContact CD1-CG 3.99Å; I648-V667 HydrophobicContact CB-CG2 4.46Å; I648-V667 HydrophobicContact CD1-CG2 3.62Å; I648-V667 HydrophobicContact CG1-CG2 3.84Å; I648-Y673 HydrophobicContact CG1-CE1 4.11Å |
| 649 | R | 97.9 | Very high | 94.9 | Very high | 132 Ų | 132 | 57.1 Ų | 57.1 | 50% | 0.498 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.9 | 168.8 | -175.9 | 171.2 | 78.7 | 89.9 | 0.4 | 110.3 | S627 P629 T638 V642 | S627-R649 CarbonylContact O-C 3.49Å; S627-R649 WeakPolarHBondContact O-CA 3.4Å; P629-R649 HydrophobicContact CG-CG 4.32Å; T638-R649 HydrophobicContact CG2-CB 3.53Å; T638-R649 HydrophobicContact CG2-CG 3.46Å; T638-R649 VanDerWaalsContact CG2-CG 3.46Å; V642-R649 HydrophobicContact CG2-CB 3.98Å |
| 650 | L | 97.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -111.6 | 147.3 | 168.2 | -71 | 177.6 | 0 | 0 | 0 | 110.7 | L626 S627 I628 L655 F660 A663 | L626-L650 HydrophobicContact CD1-CD1 3.58Å; L626-L650 HydrophobicContact CD1-CG 3.73Å; L626-L650 HydrophobicContact CD2-CD1 3.7Å; L626-L650 HydrophobicContact CG-CD1 3.74Å; L626-L650 HydrophobicContact CG-CG 4.32Å; S627-L650 PolarHBondContact O-N 2.94Å; I628-L650 HydrophobicContact CD1-CD1 4.46Å; I628-L650 HydrophobicContact CG1-CB 3.8Å; I628-L650 HydrophobicContact CG1-CD1 4.22Å; L650-L655 HydrophobicContact CB-CD1 4.18Å; L650-L655 HydrophobicContact CD1-CD1 3.72Å; L650-L655 HydrophobicContact CG-CD1 4.42Å; L650-F660 HydrophobicContact CD1-CD2 3.6Å; L650-F660 HydrophobicContact CD1-CE2 4.22Å; L650-A663 HydrophobicContact CD1-CB 4.1Å; L650-A663 HydrophobicContact CD2-CB 3.87Å; L650-A663 HydrophobicContact CG-CB 4.28Å | ||
| 651 | D | 94.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | trans | -93.3 | 117.7 | 175.2 | -173 | -24.1 | 0 | 0 | 0 | 109.1 | T653 K654 L655 | D651-T653 VanDerWaalsContact CG-OG1 3.29Å; D651-T653 PolarHBondContact O-N 3.13Å; D651-T653 VanDerWaalsContact O-N 3.13Å; D651-T653 WeakPolarHBondContact OD1-CB 3.37Å; D651-T653 PolarHBondContact OD1-N 2.97Å; D651-T653 PolarHBondContact OD1-OG1 3.04Å; D651-T653 PolarHBondContact OD2-OG1 3.41Å; D651-K654 HydrophobicContact CB-CB 4.35Å; D651-K654 PolarHBondContact O-N 2.87Å; D651-K654 VanDerWaalsContact O-N 3.09Å; D651-L655 PolarHBondContact O-N 2.69Å | ||
| 652 | K | 92 | Very high | 95.7 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -58.5 | -25.6 | -179.2 | 71.7 | -177.6 | -173.7 | -179.4 | 0 | 113.3 | I628 L630 | I628-K652 HydrophobicContact CG2-CB 3.73Å; L630-K652 HydrophobicContact CD2-CD 4.08Å; L630-K652 PolarHBondContact O-NZ 3.13Å |
| 653 | T | 91.6 | Very high | 95.8 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -82.8 | -15.5 | -178.7 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | D651 | D651-T653 VanDerWaalsContact CG-OG1 3.29Å; D651-T653 PolarHBondContact O-N 3.13Å; D651-T653 VanDerWaalsContact O-N 3.13Å; D651-T653 WeakPolarHBondContact OD1-CB 3.37Å; D651-T653 PolarHBondContact OD1-N 2.97Å; D651-T653 PolarHBondContact OD1-OG1 3.04Å; D651-T653 PolarHBondContact OD2-OG1 3.41Å |
| 654 | K | 92.7 | Very high | 96.1 | Very high | 154 Ų | 154 | 52.6 Ų | 52.6 | 67% | 0.67 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -118.9 | 15 | -178 | -58.2 | -179.6 | -177.3 | 179 | 0 | 111.9 | D651 T656 | D651-K654 HydrophobicContact CB-CB 4.35Å; D651-K654 PolarHBondContact O-N 2.87Å; D651-K654 VanDerWaalsContact O-N 3.09Å; K654-T656 PolarHBondContact O-N 3Å |
| 655 | L | 95.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | trans | -74.9 | 122 | -176.2 | -163.1 | 76 | 0 | 0 | 0 | 109.5 | I553 I557 I628 L650 D651 F660 | I553-L655 HydrophobicContact CD1-CB 3.83Å; I553-L655 HydrophobicContact CG2-CD2 4.02Å; I557-L655 HydrophobicContact CD1-CD2 4.02Å; I557-L655 HydrophobicContact CG1-CD2 3.86Å; I628-L655 HydrophobicContact CD1-CD1 4.41Å; I628-L655 HydrophobicContact CD1-CD2 4.15Å; L650-L655 HydrophobicContact CB-CD1 4.18Å; L650-L655 HydrophobicContact CD1-CD1 3.72Å; L650-L655 HydrophobicContact CG-CD1 4.42Å; D651-L655 PolarHBondContact O-N 2.69Å; L655-F660 HydrophobicContact CD1-CB 4.02Å; L655-F660 HydrophobicContact CD1-CD2 3.93Å; L655-F660 HydrophobicContact CD1-CG 4.32Å; L655-F660 HydrophobicContact CG-CB 4.38Å | ||
| 656 | T | 96.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 37% | 0.368 | 30% | 0.295 | S | S | . | . | trans | -128.1 | 166.1 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | K654 E658 T659 F660 | K654-T656 PolarHBondContact O-N 3Å; T656-E658 PolarHBondContact O-N 3.11Å; T656-T659 PolarHBondContact N-OG1 2.81Å; T656-T659 PolarHBondContact O-N 2.99Å; T656-T659 PolarHBondContact O-OG1 3.46Å; T656-T659 VanDerWaalsContact O-OG1 3.11Å; T656-T659 WeakPolarHBondContact OG1-CB 3.43Å; T656-T659 VanDerWaalsContact OG1-CG2 3.29Å; T656-T659 WeakPolarHBondContact OG1-CG2 3.41Å; T656-T659 PolarHBondContact OG1-N 3.16Å; T656-T659 PolarHBondContact OG1-OG1 3.17Å; T656-F660 VanDerWaalsContact O-CB 3.31Å; T656-F660 WeakPolarHBondContact O-CB 3.43Å; T656-F660 PolarHBondContact O-N 2.92Å | ||
| 657 | R | 97 | Very high | 96.8 | Very high | 96 Ų | 96 | 61.8 Ų | 61.8 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.7 | -44.7 | 176.1 | 175.6 | -173.4 | 179.3 | -138.3 | 3.1 | 110.8 | A559 A560 Y661 | A559-R657 HydrophobicContact CB-CG 4.03Å; A559-R657 PolarHBondContact O-NE 3.25Å; A559-R657 VanDerWaalsContact O-NE 3.13Å; A560-R657 HydrophobicContact CB-CG 4.3Å; R657-Y661 VanDerWaalsContact O-CB 3.23Å; R657-Y661 WeakPolarHBondContact O-CB 3.22Å; R657-Y661 PolarHBondContact O-N 2.84Å |
| 658 | E | 97.5 | Very high | 96.7 | Very high | 113 Ų | 113 | 63 Ų | 63 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.5 | -44.7 | -175.5 | -63.4 | 65.9 | -140 | 0 | 0 | 111.3 | T656 S662 | T656-E658 PolarHBondContact O-N 3.11Å; E658-S662 WeakPolarHBondContact O-CB 3.43Å; E658-S662 PolarHBondContact O-N 3.31Å |
| 659 | T | 97.2 | Very high | 96.7 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 37% | 0.368 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 179.5 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | T656 A663 | T656-T659 PolarHBondContact N-OG1 2.81Å; T656-T659 PolarHBondContact O-N 2.99Å; T656-T659 PolarHBondContact O-OG1 3.46Å; T656-T659 VanDerWaalsContact O-OG1 3.11Å; T656-T659 WeakPolarHBondContact OG1-CB 3.43Å; T656-T659 VanDerWaalsContact OG1-CG2 3.29Å; T656-T659 WeakPolarHBondContact OG1-CG2 3.41Å; T656-T659 PolarHBondContact OG1-N 3.16Å; T656-T659 PolarHBondContact OG1-OG1 3.17Å; T659-A663 WeakPolarHBondContact O-CB 3.47Å; T659-A663 PolarHBondContact O-N 3.5Å; T659-A663 VanDerWaalsContact O-N 3.09Å |
| 660 | F | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 177.7 | -169.5 | -122.6 | 0 | 0 | 0 | 111.7 | F538 I557 A560 F561 I607 L626 I628 L650 L655 T656 A663 M664 | F538-F660 HydrophobicContact CZ-CZ 4.36Å; I557-F660 HydrophobicContact CB-CD1 4.28Å; I557-F660 HydrophobicContact CB-CE1 4.02Å; I557-F660 HydrophobicContact CG1-CD1 4.1Å; I557-F660 HydrophobicContact CG1-CE1 3.98Å; I557-F660 HydrophobicContact CG1-CZ 4.31Å; I557-F660 HydrophobicContact CG2-CD1 4.23Å; I557-F660 HydrophobicContact CG2-CE1 3.5Å; I557-F660 HydrophobicContact CG2-CZ 4.04Å; A560-F660 HydrophobicContact CB-CB 4.39Å; A560-F660 HydrophobicContact CB-CD1 3.66Å; A560-F660 HydrophobicContact CB-CG 4.5Å; F561-F660 HydrophobicContact CD1-CE1 4.17Å; F561-F660 AromaticContact CE1-CE1 3.6Å; F561-F660 HydrophobicContact CE1-CE1 3.6Å; F561-F660 HydrophobicContact CE1-CZ 4.04Å; F561-F660 AromaticContact CZ-CE1 3.92Å; F561-F660 HydrophobicContact CZ-CE1 3.92Å; F561-F660 HydrophobicContact CZ-CZ 4.15Å; I607-F660 HydrophobicContact CD1-CE1 4.43Å; I607-F660 HydrophobicContact CD1-CE2 4.18Å; I607-F660 HydrophobicContact CD1-CZ 3.61Å; I607-F660 HydrophobicContact CG2-CE2 3.95Å; I607-F660 HydrophobicContact CG2-CZ 4.05Å; L626-F660 HydrophobicContact CD2-CD2 3.88Å; L626-F660 HydrophobicContact CD2-CE2 3.59Å; L626-F660 HydrophobicContact CD2-CZ 4.47Å; I628-F660 HydrophobicContact CD1-CD2 4.33Å; I628-F660 HydrophobicContact CD1-CE2 3.85Å; L650-F660 HydrophobicContact CD1-CD2 3.6Å; L650-F660 HydrophobicContact CD1-CE2 4.22Å; L655-F660 HydrophobicContact CD1-CB 4.02Å; L655-F660 HydrophobicContact CD1-CD2 3.93Å; L655-F660 HydrophobicContact CD1-CG 4.32Å; L655-F660 HydrophobicContact CG-CB 4.38Å; T656-F660 VanDerWaalsContact O-CB 3.31Å; T656-F660 WeakPolarHBondContact O-CB 3.43Å; T656-F660 PolarHBondContact O-N 2.92Å; F660-A663 PolarHBondContact O-N 3.08Å; F660-M664 HydrophobicContact CD1-CE 3.62Å; F660-M664 HydrophobicContact CD1-SD 4.29Å; F660-M664 HydrophobicContact CE1-CE 3.71Å; F660-M664 HydrophobicContact CE1-SD 3.85Å; F660-M664 HydrophobicContact CG-CE 4.29Å; F660-M664 HydrophobicContact CZ-CE 4.48Å; F660-M664 HydrophobicContact CZ-SD 4.1Å; F660-M664 WeakPolarHBondContact O-CG 3.41Å; F660-M664 PolarHBondContact O-N 3.15Å |
| 661 | Y | 98.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 174.7 | 173.5 | -100 | 0 | 0 | 0 | 112.1 | Q563 L564 R657 A663 M664 W665 | Q563-Y661 HydrophobicContact CB-CD2 3.52Å; Q563-Y661 HydrophobicContact CB-CE2 3.37Å; Q563-Y661 HydrophobicContact CB-CG 4.41Å; Q563-Y661 HydrophobicContact CG-CD2 4.36Å; Q563-Y661 HydrophobicContact CG-CE2 4.45Å; L564-Y661 HydrophobicContact CD2-CD2 4.42Å; L564-Y661 HydrophobicContact CD2-CE2 3.78Å; L564-Y661 HydrophobicContact CG-CD2 4.25Å; L564-Y661 HydrophobicContact CG-CE2 4.01Å; R657-Y661 VanDerWaalsContact O-CB 3.23Å; R657-Y661 WeakPolarHBondContact O-CB 3.22Å; R657-Y661 PolarHBondContact O-N 2.84Å; Y661-A663 VanDerWaalsContact C-N 3.31Å; Y661-A663 PolarHBondContact O-N 2.83Å; Y661-M664 PolarHBondContact O-N 3.37Å; Y661-W665 WeakPolarHBondContact O-CB 3.43Å; Y661-W665 PolarHBondContact O-N 3.32Å |
| 662 | S | 98 | Very high | 96.8 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | E658 W665 K666 | E658-S662 WeakPolarHBondContact O-CB 3.43Å; E658-S662 PolarHBondContact O-N 3.31Å; S662-W665 PolarHBondContact O-N 3.02Å; S662-K666 WeakPolarHBondContact O-CB 3.44Å; S662-K666 PolarHBondContact O-N 3.43Å |
| 663 | A | 98.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L626 I648 L650 T659 F660 Y661 K666 V667 | L626-A663 HydrophobicContact CD1-CB 3.7Å; L626-A663 HydrophobicContact CD2-CB 4.34Å; I648-A663 HydrophobicContact CG2-CB 4.38Å; L650-A663 HydrophobicContact CD1-CB 4.1Å; L650-A663 HydrophobicContact CD2-CB 3.87Å; L650-A663 HydrophobicContact CG-CB 4.28Å; T659-A663 WeakPolarHBondContact O-CB 3.47Å; T659-A663 PolarHBondContact O-N 3.5Å; T659-A663 VanDerWaalsContact O-N 3.09Å; F660-A663 PolarHBondContact O-N 3.08Å; Y661-A663 VanDerWaalsContact C-N 3.31Å; Y661-A663 PolarHBondContact O-N 2.83Å; A663-K666 PolarHBondContact O-N 3.06Å; A663-V667 PolarHBondContact O-N 3Å |
| 664 | M | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 172.6 | -71.8 | -172 | -69.2 | 0 | 0 | 110.9 | A560 F561 L564 L605 I607 L626 F660 Y661 K666 V667 L668 | A560-M664 HydrophobicContact CB-CE 3.89Å; F561-M664 HydrophobicContact CD1-CE 3.92Å; F561-M664 HydrophobicContact CD1-SD 3.87Å; F561-M664 HydrophobicContact CE1-CE 4.13Å; F561-M664 HydrophobicContact CE1-SD 3.57Å; F561-M664 VanDerWaalsContact CE1-SD 3.57Å; L564-M664 HydrophobicContact CD1-CB 4.31Å; L564-M664 HydrophobicContact CD1-CE 3.85Å; L564-M664 HydrophobicContact CD1-SD 4.02Å; L605-M664 HydrophobicContact CD2-CB 4.23Å; L605-M664 HydrophobicContact CD2-CG 4.11Å; I607-M664 HydrophobicContact CD1-CG 3.99Å; I607-M664 HydrophobicContact CD1-SD 3.6Å; I607-M664 VanDerWaalsContact CD1-SD 3.6Å; L626-M664 HydrophobicContact CD2-CG 3.66Å; F660-M664 HydrophobicContact CD1-CE 3.62Å; F660-M664 HydrophobicContact CD1-SD 4.29Å; F660-M664 HydrophobicContact CE1-CE 3.71Å; F660-M664 HydrophobicContact CE1-SD 3.85Å; F660-M664 HydrophobicContact CG-CE 4.29Å; F660-M664 HydrophobicContact CZ-CE 4.48Å; F660-M664 HydrophobicContact CZ-SD 4.1Å; F660-M664 WeakPolarHBondContact O-CG 3.41Å; F660-M664 PolarHBondContact O-N 3.15Å; Y661-M664 PolarHBondContact O-N 3.37Å; M664-K666 VanDerWaalsContact C-N 3.29Å; M664-K666 PolarHBondContact O-N 3.49Å; M664-V667 PolarHBondContact O-N 3.31Å; M664-L668 WeakPolarHBondContact O-CB 3.11Å; M664-L668 WeakPolarHBondContact O-CG 3.4Å; M664-L668 PolarHBondContact O-N 3.34Å |
| 665 | W | 98 | Very high | 97.5 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 180 | -168.6 | -111.1 | 0 | 0 | 0 | 111.5 | L564 Y567 Y661 S662 V667 L668 Q669 | L564-W665 HydrophobicContact CD2-CE3 3.74Å; L564-W665 HydrophobicContact CD2-CZ3 3.88Å; Y567-W665 HydrophobicContact CE2-CZ3 4.42Å; Y661-W665 WeakPolarHBondContact O-CB 3.43Å; Y661-W665 PolarHBondContact O-N 3.32Å; S662-W665 PolarHBondContact O-N 3.02Å; W665-V667 PolarHBondContact O-N 3.34Å; W665-L668 PolarHBondContact O-N 2.98Å; W665-Q669 HydrophobicContact CD2-CG 4.05Å; W665-Q669 HydrophobicContact CG-CG 4.26Å; W665-Q669 VanDerWaalsContact CH2-NE2 3.31Å; W665-Q669 HydrophobicContact CZ2-CG 4.14Å; W665-Q669 VanDerWaalsContact CZ2-NE2 3.29Å; W665-Q669 WeakPolarHBondContact O-CB 3.27Å; W665-Q669 VanDerWaalsContact O-CG 3.29Å; W665-Q669 WeakPolarHBondContact O-CG 3.4Å; W665-Q669 PolarHBondContact O-N 3.5Å |
| 666 | K | 98.3 | Very high | 97.5 | Very high | 114 Ų | 114 | 69.3 Ų | 69.3 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58 | -48.2 | 177.2 | -176.3 | 171.3 | 176.8 | -173.6 | 0 | 112.6 | I648 S662 A663 M664 L668 Q669 D670 Y673 | I648-K666 HydrophobicContact CD1-CB 4.13Å; I648-K666 HydrophobicContact CD1-CD 3.71Å; I648-K666 HydrophobicContact CD1-CG 3.99Å; S662-K666 WeakPolarHBondContact O-CB 3.44Å; S662-K666 PolarHBondContact O-N 3.43Å; A663-K666 PolarHBondContact O-N 3.06Å; M664-K666 VanDerWaalsContact C-N 3.29Å; M664-K666 PolarHBondContact O-N 3.49Å; K666-L668 VanDerWaalsContact C-N 3.35Å; K666-Q669 PolarHBondContact O-N 2.98Å; K666-D670 VanDerWaalsContact O-CB 3.31Å; K666-D670 WeakPolarHBondContact O-CB 3.34Å; K666-D670 PolarHBondContact O-N 3.27Å; K666-Y673 WeakPolarHBondContact CE-OH 3.44Å; K666-Y673 HydrophobicContact CG-CE2 4.4Å |
| 667 | V | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | L605 P624 I648 A663 M664 W665 Y673 | L605-V667 HydrophobicContact CD1-CB 4.16Å; L605-V667 HydrophobicContact CD1-CG1 3.69Å; P624-V667 HydrophobicContact CB-CG1 3.64Å; I648-V667 HydrophobicContact CB-CG2 4.46Å; I648-V667 HydrophobicContact CD1-CG2 3.62Å; I648-V667 HydrophobicContact CG1-CG2 3.84Å; A663-V667 PolarHBondContact O-N 3Å; M664-V667 PolarHBondContact O-N 3.31Å; W665-V667 PolarHBondContact O-N 3.34Å; V667-Y673 HydrophobicContact CB-CD2 4.35Å; V667-Y673 HydrophobicContact CG1-CD2 4.24Å; V667-Y673 HydrophobicContact CG1-CG 4.22Å; V667-Y673 HydrophobicContact CG2-CD2 4.32Å; V667-Y673 HydrophobicContact CG2-CE2 4.33Å |
| 668 | L | 97.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.5 | -33.6 | 178.7 | -69.3 | 167.8 | 0 | 0 | 0 | 113.1 | I536 L564 Y567 I604 L605 M664 W665 K666 | I536-L668 HydrophobicContact CD1-CD1 4.06Å; L564-L668 HydrophobicContact CD1-CD1 4.27Å; L564-L668 HydrophobicContact CD2-CD1 4.43Å; Y567-L668 HydrophobicContact CD2-CD1 4.36Å; Y567-L668 HydrophobicContact CE1-CD2 4.27Å; Y567-L668 HydrophobicContact CE2-CD1 3.95Å; I604-L668 HydrophobicContact CD1-CD2 3.46Å; I604-L668 VanDerWaalsContact CD1-CD2 3.46Å; I604-L668 HydrophobicContact CG1-CD2 3.94Å; L605-L668 HydrophobicContact CB-CD2 4.11Å; L605-L668 HydrophobicContact CD2-CD2 4.31Å; L605-L668 HydrophobicContact CD2-CG 4.24Å; M664-L668 WeakPolarHBondContact O-CB 3.11Å; M664-L668 WeakPolarHBondContact O-CG 3.4Å; M664-L668 PolarHBondContact O-N 3.34Å; W665-L668 PolarHBondContact O-N 2.98Å; K666-L668 VanDerWaalsContact C-N 3.35Å |
| 669 | Q | 97.1 | Very high | 97.1 | Very high | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -87.5 | -38.1 | -179.4 | -63.2 | -51.8 | -41.6 | 0 | 0 | 113.2 | W665 K666 R671 | W665-Q669 HydrophobicContact CD2-CG 4.05Å; W665-Q669 HydrophobicContact CG-CG 4.26Å; W665-Q669 VanDerWaalsContact CH2-NE2 3.31Å; W665-Q669 HydrophobicContact CZ2-CG 4.14Å; W665-Q669 VanDerWaalsContact CZ2-NE2 3.29Å; W665-Q669 WeakPolarHBondContact O-CB 3.27Å; W665-Q669 VanDerWaalsContact O-CG 3.29Å; W665-Q669 WeakPolarHBondContact O-CG 3.4Å; W665-Q669 PolarHBondContact O-N 3.5Å; K666-Q669 PolarHBondContact O-N 2.98Å; Q669-R671 PolarHBondContact O-N 3.33Å |
| 670 | D | 97.9 | Very high | 96.8 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | trans | -84.3 | 101.8 | -176.9 | -177.3 | -5.8 | 0 | 0 | 0 | 111.4 | K666 S672 Y673 | K666-D670 VanDerWaalsContact O-CB 3.31Å; K666-D670 WeakPolarHBondContact O-CB 3.34Å; K666-D670 PolarHBondContact O-N 3.27Å; D670-S672 PolarHBondContact O-N 2.99Å; D670-S672 WeakPolarHBondContact OD1-CB 3.49Å; D670-S672 PolarHBondContact OD1-N 2.82Å; D670-S672 PolarHBondContact OD1-OG 2.98Å; D670-S672 PolarHBondContact OD2-OG 2.86Å; D670-Y673 HydrophobicContact CB-CD2 3.79Å; D670-Y673 HydrophobicContact CB-CE2 3.71Å; D670-Y673 WeakPolarHBondContact O-CD2 3.45Å; D670-Y673 PolarHBondContact O-N 2.96Å; D670-Y673 WeakPolarHBondContact OD2-CE2 3.29Å | ||
| 671 | R | 96.9 | Very high | 96.5 | Very high | 202 Ų | 202 | 61.1 Ų | 61.1 | 76% | 0.762 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.6 | -16.7 | 178.7 | -66.9 | -174.8 | 179.1 | -175.7 | 0.2 | 113.6 | Q669 Y673 K674 Q675 | Q669-R671 PolarHBondContact O-N 3.33Å; R671-Y673 VanDerWaalsContact C-N 3.27Å; R671-Y673 PolarHBondContact O-N 2.76Å; R671-K674 PolarHBondContact O-N 3.33Å; R671-Q675 WeakPolarHBondContact O-CG 3.38Å; R671-Q675 PolarHBondContact O-N 2.8Å |
| 672 | S | 97.2 | Very high | 96.2 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | D670 Q675 R676 | D670-S672 PolarHBondContact O-N 2.99Å; D670-S672 WeakPolarHBondContact OD1-CB 3.49Å; D670-S672 PolarHBondContact OD1-N 2.82Å; D670-S672 PolarHBondContact OD1-OG 2.98Å; D670-S672 PolarHBondContact OD2-OG 2.86Å; S672-Q675 PolarHBondContact O-N 3.36Å; S672-R676 WeakPolarHBondContact O-CB 3.49Å; S672-R676 VanDerWaalsContact O-CG 3.24Å; S672-R676 WeakPolarHBondContact O-CG 3.36Å; S672-R676 PolarHBondContact O-N 3.34Å |
| 673 | Y | 98.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174.2 | -63.8 | -76.3 | 0 | 0 | 0 | 111.4 | G645 I648 K666 V667 D670 R671 R676 I677 | G645-Y673 WeakPolarHBondContact O-CD1 3.25Å; I648-Y673 HydrophobicContact CG1-CE1 4.11Å; K666-Y673 WeakPolarHBondContact CE-OH 3.44Å; K666-Y673 HydrophobicContact CG-CE2 4.4Å; V667-Y673 HydrophobicContact CB-CD2 4.35Å; V667-Y673 HydrophobicContact CG1-CD2 4.24Å; V667-Y673 HydrophobicContact CG1-CG 4.22Å; V667-Y673 HydrophobicContact CG2-CD2 4.32Å; V667-Y673 HydrophobicContact CG2-CE2 4.33Å; D670-Y673 HydrophobicContact CB-CD2 3.79Å; D670-Y673 HydrophobicContact CB-CE2 3.71Å; D670-Y673 WeakPolarHBondContact O-CD2 3.45Å; D670-Y673 PolarHBondContact O-N 2.96Å; D670-Y673 WeakPolarHBondContact OD2-CE2 3.29Å; R671-Y673 VanDerWaalsContact C-N 3.27Å; R671-Y673 PolarHBondContact O-N 2.76Å; Y673-R676 PolarHBondContact O-N 2.83Å; Y673-I677 PolarHBondContact O-N 3.45Å; Y673-I677 VanDerWaalsContact O-N 3.13Å |
| 674 | K | 98 | Very high | 95.2 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 176.7 | -176.5 | 66.5 | 176.9 | -171 | 0 | 112 | A622 P624 R671 I677 A678 | A622-K674 VanDerWaalsContact O-CD 3.24Å; A622-K674 WeakPolarHBondContact O-CD 3.28Å; A622-K674 VanDerWaalsContact O-CE 3.29Å; A622-K674 WeakPolarHBondContact O-CE 3.43Å; A622-K674 PolarHBondContact O-NZ 2.9Å; P624-K674 HydrophobicContact CG-CB 3.89Å; P624-K674 HydrophobicContact CG-CD 3.99Å; R671-K674 PolarHBondContact O-N 3.33Å; K674-I677 HydrophobicContact CD-CG2 4.47Å; K674-I677 WeakPolarHBondContact O-CG2 3.29Å; K674-A678 WeakPolarHBondContact O-CB 3.28Å; K674-A678 PolarHBondContact O-N 2.9Å |
| 675 | Q | 96.4 | Very high | 94.6 | Very high | 113 Ų | 113 | 61.7 Ų | 61.7 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.5 | -71 | 171.9 | -4.8 | 0 | 0 | 112.1 | R671 S672 K679 | R671-Q675 WeakPolarHBondContact O-CG 3.38Å; R671-Q675 PolarHBondContact O-N 2.8Å; S672-Q675 PolarHBondContact O-N 3.36Å; Q675-K679 WeakPolarHBondContact O-CG 3.46Å; Q675-K679 PolarHBondContact O-N 3.13Å; Q675-K679 VanDerWaalsContact O-N 3.13Å |
| 676 | R | 94.5 | Very high | 94.1 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 179.4 | -73.5 | 170.6 | -172.6 | -76.9 | 1.7 | 112 | H644 G645 F646 S672 Y673 K679 L680 | H644-R676 WeakPolarHBondContact O-CD 3.35Å; G645-R676 WeakPolarHBondContact O-CD 3.41Å; F646-R676 HydrophobicContact CB-CB 4.38Å; S672-R676 WeakPolarHBondContact O-CB 3.49Å; S672-R676 VanDerWaalsContact O-CG 3.24Å; S672-R676 WeakPolarHBondContact O-CG 3.36Å; S672-R676 PolarHBondContact O-N 3.34Å; Y673-R676 PolarHBondContact O-N 2.83Å; R676-K679 PolarHBondContact O-N 3.02Å; R676-L680 PolarHBondContact O-N 3Å; R676-L680 VanDerWaalsContact O-N 3.17Å |
| 677 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 177.4 | -155.8 | 173.1 | 0 | 0 | 0 | 112.7 | V619 A622 V623 P624 M625 F646 Y673 K674 K679 L680 S681 | V619-I677 HydrophobicContact CB-CD1 4.45Å; V619-I677 HydrophobicContact CB-CG1 4.42Å; V619-I677 HydrophobicContact CG1-CG1 4.19Å; V619-I677 HydrophobicContact CG2-CD1 4.14Å; V619-I677 HydrophobicContact CG2-CG1 4.34Å; A622-I677 VanDerWaalsContact C-CG2 3.47Å; A622-I677 HydrophobicContact CB-CG2 4.15Å; A622-I677 VanDerWaalsContact O-CG2 3.26Å; A622-I677 WeakPolarHBondContact O-CG2 3.44Å; V623-I677 WeakPolarHBondContact O-CD1 3.49Å; P624-I677 HydrophobicContact CG-CG2 4.17Å; M625-I677 HydrophobicContact CE-CD1 4.21Å; F646-I677 HydrophobicContact CB-CB 3.67Å; F646-I677 HydrophobicContact CB-CD1 4.45Å; F646-I677 HydrophobicContact CB-CG1 4.23Å; F646-I677 HydrophobicContact CD2-CB 4.44Å; F646-I677 HydrophobicContact CD2-CD1 3.75Å; F646-I677 HydrophobicContact CD2-CG1 4.06Å; F646-I677 HydrophobicContact CE2-CD1 4.27Å; F646-I677 HydrophobicContact CG-CB 4.05Å; F646-I677 HydrophobicContact CG-CD1 4.23Å; F646-I677 HydrophobicContact CG-CG1 4.07Å; Y673-I677 PolarHBondContact O-N 3.45Å; Y673-I677 VanDerWaalsContact O-N 3.13Å; K674-I677 HydrophobicContact CD-CG2 4.47Å; K674-I677 WeakPolarHBondContact O-CG2 3.29Å; I677-K679 VanDerWaalsContact C-N 3.32Å; I677-K679 PolarHBondContact O-N 2.96Å; I677-L680 PolarHBondContact O-N 2.95Å; I677-S681 WeakPolarHBondContact O-CB 3.42Å; I677-S681 PolarHBondContact O-N 3.2Å |
| 678 | A | 95.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A622 K674 A682 | A622-A678 HydrophobicContact CB-CB 4.16Å; K674-A678 WeakPolarHBondContact O-CB 3.28Å; K674-A678 PolarHBondContact O-N 2.9Å; A678-A682 WeakPolarHBondContact O-CB 3.37Å; A678-A682 PolarHBondContact O-N 2.89Å |
| 679 | K | 92.2 | Very high | 92.1 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 39% | 0.391 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 172 | -73.4 | 172.6 | -178.3 | -178.6 | 0 | 111.4 | Q675 R676 I677 A682 M683 | Q675-K679 WeakPolarHBondContact O-CG 3.46Å; Q675-K679 PolarHBondContact O-N 3.13Å; Q675-K679 VanDerWaalsContact O-N 3.13Å; R676-K679 PolarHBondContact O-N 3.02Å; I677-K679 VanDerWaalsContact C-N 3.32Å; I677-K679 PolarHBondContact O-N 2.96Å; K679-A682 PolarHBondContact O-N 3.45Å; K679-M683 HydrophobicContact CB-CE 4.32Å; K679-M683 WeakPolarHBondContact O-CG 3.39Å; K679-M683 PolarHBondContact O-N 3.14Å |
| 680 | L | 90.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 177.9 | -72.7 | 166.8 | 0 | 0 | 0 | 112.4 | L496 V619 H644 F646 R676 I677 A682 M683 L684 | L496-L680 HydrophobicContact CD2-CB 4.31Å; L496-L680 HydrophobicContact CD2-CD1 3.7Å; L496-L680 HydrophobicContact CD2-CD2 4.02Å; L496-L680 HydrophobicContact CD2-CG 4.23Å; V619-L680 HydrophobicContact CG1-CB 4.24Å; H644-L680 HydrophobicContact CB-CD1 3.97Å; F646-L680 HydrophobicContact CD1-CD1 3.5Å; F646-L680 HydrophobicContact CE1-CD1 3.41Å; F646-L680 VanDerWaalsContact CE1-CD1 3.41Å; R676-L680 PolarHBondContact O-N 3Å; R676-L680 VanDerWaalsContact O-N 3.17Å; I677-L680 PolarHBondContact O-N 2.95Å; L680-A682 VanDerWaalsContact C-N 3.33Å; L680-A682 PolarHBondContact O-N 3.29Å; L680-M683 PolarHBondContact O-N 3.34Å; L680-L684 WeakPolarHBondContact O-CB 3.48Å; L680-L684 VanDerWaalsContact O-CG 3.3Å; L680-L684 WeakPolarHBondContact O-CG 3.49Å; L680-L684 PolarHBondContact O-N 2.95Å |
| 681 | S | 92.7 | Very high | 90.5 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.3 | -47.4 | 172.5 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | V619 C620 I677 M683 L684 S685 | V619-S681 WeakPolarHBondContact O-CB 3.29Å; C620-S681 PolarHBondContact O-OG 3.23Å; I677-S681 WeakPolarHBondContact O-CB 3.42Å; I677-S681 PolarHBondContact O-N 3.2Å; S681-M683 VanDerWaalsContact C-N 3.35Å; S681-M683 PolarHBondContact O-N 3.43Å; S681-L684 PolarHBondContact O-N 3.13Å; S681-S685 WeakPolarHBondContact O-CB 3.42Å; S681-S685 PolarHBondContact O-N 3.5Å; S681-S685 PolarHBondContact O-OG 2.71Å |
| 682 | A | 92 | Very high | 89.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A678 K679 L680 S685 D686 | A678-A682 WeakPolarHBondContact O-CB 3.37Å; A678-A682 PolarHBondContact O-N 2.89Å; K679-A682 PolarHBondContact O-N 3.45Å; L680-A682 VanDerWaalsContact C-N 3.33Å; L680-A682 PolarHBondContact O-N 3.29Å; A682-S685 PolarHBondContact O-N 2.59Å; A682-D686 WeakPolarHBondContact O-CB 3.2Å; A682-D686 PolarHBondContact O-N 2.9Å |
| 683 | M | 88.4 | Confident | 89.2 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 174.9 | -70.1 | -179.7 | -151.9 | 0 | 0 | 112.1 | F446 H450 M495 K679 L680 S681 S685 D686 | F446-M683 HydrophobicContact CE2-CB 4.46Å; F446-M683 HydrophobicContact CZ-CB 3.92Å; F446-M683 HydrophobicContact CZ-CG 4.08Å; H450-M683 HydrophobicContact CB-CE 4.14Å; H450-M683 HydrophobicContact CB-CG 3.95Å; H450-M683 HydrophobicContact CB-SD 4.37Å; M495-M683 HydrophobicContact CE-CB 4.16Å; M495-M683 HydrophobicContact SD-CB 3.5Å; M495-M683 VanDerWaalsContact SD-CB 3.5Å; M495-M683 HydrophobicContact SD-CG 4.21Å; M495-M683 HydrophobicContact SD-SD 3.94Å; K679-M683 HydrophobicContact CB-CE 4.32Å; K679-M683 WeakPolarHBondContact O-CG 3.39Å; K679-M683 PolarHBondContact O-N 3.14Å; L680-M683 PolarHBondContact O-N 3.34Å; S681-M683 VanDerWaalsContact C-N 3.35Å; S681-M683 PolarHBondContact O-N 3.43Å; M683-S685 PolarHBondContact O-N 3.48Å; M683-D686 PolarHBondContact O-N 3.42Å |
| 684 | L | 85.8 | Confident | 88.6 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.4 | -24.2 | 177.2 | -73.1 | 176.2 | 0 | 0 | 0 | 113.3 | P493 M495 L496 V619 L680 S681 N687 | P493-L684 HydrophobicContact CB-CD2 3.48Å; P493-L684 VanDerWaalsContact CB-CD2 3.48Å; P493-L684 HydrophobicContact CG-CD1 4.28Å; P493-L684 HydrophobicContact CG-CD2 4.04Å; M495-L684 HydrophobicContact CB-CD2 4.31Å; L496-L684 HydrophobicContact CD1-CD1 4.44Å; V619-L684 HydrophobicContact CB-CD1 4.39Å; V619-L684 HydrophobicContact CG1-CD1 3.5Å; L680-L684 WeakPolarHBondContact O-CB 3.48Å; L680-L684 VanDerWaalsContact O-CG 3.3Å; L680-L684 WeakPolarHBondContact O-CG 3.49Å; L680-L684 PolarHBondContact O-N 2.95Å; S681-L684 PolarHBondContact O-N 3.13Å; L684-N687 PolarHBondContact O-ND2 3Å |
| 685 | S | 86.5 | Confident | 88 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -86.6 | -16.5 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | S681 A682 M683 N687 | S681-S685 WeakPolarHBondContact O-CB 3.42Å; S681-S685 PolarHBondContact O-N 3.5Å; S681-S685 PolarHBondContact O-OG 2.71Å; A682-S685 PolarHBondContact O-N 2.59Å; M683-S685 PolarHBondContact O-N 3.48Å; S685-N687 PolarHBondContact O-N 3.16Å |
| 686 | D | 88 | Confident | 87.7 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | trans | -91.6 | 73 | 179.7 | -169.9 | -8.4 | 0 | 0 | 0 | 109.4 | F442 F446 R449 H450 A682 M683 | F442-D686 WeakPolarHBondContact CZ-O 3.33Å; F446-D686 HydrophobicContact CD2-CB 4.11Å; F446-D686 HydrophobicContact CE2-CB 3.91Å; F446-D686 WeakPolarHBondContact CE2-O 3.35Å; R449-D686 IonicContact CZ-OD1 2.67Å; R449-D686 IonicContact CZ-OD2 2.85Å; R449-D686 IonicContact NE-OD1 2.73Å; R449-D686 IonicContact NE-OD2 2.81Å; R449-D686 PolarHBondContact NE-OD2 2.88Å; R449-D686 IonicContact NH2-OD1 2.59Å; R449-D686 PolarHBondContact NH2-OD1 3.37Å; R449-D686 IonicContact NH2-OD2 3.44Å; R449-D686 PolarHBondContact NH2-OD2 3.31Å; H450-D686 IonicContact CD2-OD2 3.66Å; H450-D686 PolarHBondContact CD2-OD2 3.05Å; H450-D686 IonicContact NE2-OD2 3.78Å; H450-D686 PolarHBondContact NE2-OD2 3.26Å; A682-D686 WeakPolarHBondContact O-CB 3.2Å; A682-D686 PolarHBondContact O-N 2.9Å; M683-D686 PolarHBondContact O-N 3.42Å | ||
| 687 | N | 83.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 47.9 Ų | 47.9 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | trans | -108.5 | 145.2 | 177.7 | -61.9 | -53.6 | 0 | 0 | 0 | 111 | L684 S685 | L684-N687 PolarHBondContact O-ND2 3Å; S685-N687 PolarHBondContact O-N 3.16Å | ||
| 688 | V | 84.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -79 | -32.8 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | I434 F442 | I434-V688 HydrophobicContact CD1-CG2 3.31Å; F442-V688 HydrophobicContact CB-CB 4.45Å; F442-V688 HydrophobicContact CB-CG2 4.18Å; F442-V688 HydrophobicContact CD1-CB 3.68Å; F442-V688 HydrophobicContact CD1-CG1 4.02Å; F442-V688 HydrophobicContact CD1-CG2 4.31Å; F442-V688 HydrophobicContact CD2-CB 3.66Å; F442-V688 HydrophobicContact CD2-CG2 3.89Å; F442-V688 HydrophobicContact CE1-CB 3.76Å; F442-V688 HydrophobicContact CE1-CG1 4.08Å; F442-V688 HydrophobicContact CE2-CB 3.73Å; F442-V688 HydrophobicContact CE2-CG2 4.39Å; F442-V688 HydrophobicContact CG-CB 3.63Å; F442-V688 HydrophobicContact CG-CG1 4.4Å; F442-V688 HydrophobicContact CG-CG2 3.84Å; F442-V688 HydrophobicContact CZ-CB 3.78Å |
| 689 | I | 83.5 | Confident | 86.9 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.195 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -135.5 | 141.7 | -175.8 | -60.5 | 150.2 | 0 | 0 | 0 | 108.7 | L433 I434 E691 K694 | L433-I689 HydrophobicContact CD1-CG2 4.44Å; L433-I689 HydrophobicContact CD2-CD1 3.8Å; L433-I689 HydrophobicContact CD2-CG2 3.98Å; L433-I689 HydrophobicContact CG-CD1 3.83Å; L433-I689 HydrophobicContact CG-CG1 4.49Å; L433-I689 HydrophobicContact CG-CG2 4.32Å; I434-I689 HydrophobicContact CB-CD1 4.01Å; I434-I689 HydrophobicContact CD1-CD1 4.41Å; I434-I689 HydrophobicContact CG2-CD1 3.85Å; I689-E691 PolarHBondContact O-N 3.31Å; I689-K694 HydrophobicContact CG2-CB 4.28Å |
| 690 | D | 82.7 | Confident | 87 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -62.3 | 124.9 | 168.7 | 177.9 | -91.1 | 0 | 0 | 0 | 110.6 | T692 K693 K694 | D690-T692 VanDerWaalsContact C-N 3.28Å; D690-T692 PolarHBondContact O-N 3.43Å; D690-T692 WeakPolarHBondContact OD1-CA 3.14Å; D690-T692 VanDerWaalsContact OD1-CB 3.23Å; D690-T692 WeakPolarHBondContact OD1-CB 3.49Å; D690-T692 PolarHBondContact OD1-N 3.24Å; D690-K693 HydrophobicContact CB-CB 4.13Å; D690-K693 HydrophobicContact CB-CD 4.07Å; D690-K693 HydrophobicContact CB-CG 4Å; D690-K693 WeakPolarHBondContact O-CB 3.38Å; D690-K693 PolarHBondContact O-N 2.86Å; D690-K693 VanDerWaalsContact O-N 3.08Å; D690-K693 PolarHBondContact OD1-N 3.42Å; D690-K694 PolarHBondContact O-N 3.31Å | ||
| 691 | E | 78.9 | Confident | 87.1 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -28.8 | -172.2 | -73.1 | -81.3 | 144.1 | 0 | 0 | 112.3 | L509 D510 I689 K694 G695 | L509-E691 WeakPolarHBondContact CD2-O 3.48Å; D510-E691 HydrophobicContact CB-CB 3.9Å; D510-E691 HydrophobicContact CB-CG 3.63Å; D510-E691 PolarHBondContact N-OE2 3.06Å; D510-E691 WeakPolarHBondContact O-CB 3.36Å; I689-E691 PolarHBondContact O-N 3.31Å; E691-K694 VanDerWaalsContact CD-NZ 3.33Å; E691-K694 WeakPolarHBondContact O-CB 3.36Å; E691-K694 PolarHBondContact O-N 2.72Å; E691-K694 WeakPolarHBondContact OE1-CD 3.43Å; E691-K694 IonicContact OE1-NZ 3Å; E691-K694 PolarHBondContact OE1-NZ 3.37Å; E691-K694 WeakPolarHBondContact OE2-CD 3.22Å; E691-K694 IonicContact OE2-NZ 3.21Å; E691-K694 PolarHBondContact OE2-NZ 3.07Å; E691-G695 PolarHBondContact O-N 2.85Å |
| 692 | T | 81.8 | Confident | 87 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.2 | -42.6 | 172.1 | -48.1 | 0 | 0 | 0 | 0 | 111 | D690 K694 G695 S696 | D690-T692 VanDerWaalsContact C-N 3.28Å; D690-T692 PolarHBondContact O-N 3.43Å; D690-T692 WeakPolarHBondContact OD1-CA 3.14Å; D690-T692 VanDerWaalsContact OD1-CB 3.23Å; D690-T692 WeakPolarHBondContact OD1-CB 3.49Å; D690-T692 PolarHBondContact OD1-N 3.24Å; T692-K694 VanDerWaalsContact C-N 3.33Å; T692-K694 PolarHBondContact O-N 3.36Å; T692-G695 PolarHBondContact O-N 3.2Å; T692-S696 PolarHBondContact O-N 2.95Å |
| 693 | K | 85.3 | Confident | 87.1 | Confident | 145 Ų | 145 | 56.3 Ų | 56.3 | 63% | 0.63 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 173.8 | -69.5 | -174.2 | -178.4 | 179.1 | 0 | 112.1 | D690 G695 S696 F697 | D690-K693 HydrophobicContact CB-CB 4.13Å; D690-K693 HydrophobicContact CB-CD 4.07Å; D690-K693 HydrophobicContact CB-CG 4Å; D690-K693 WeakPolarHBondContact O-CB 3.38Å; D690-K693 PolarHBondContact O-N 2.86Å; D690-K693 VanDerWaalsContact O-N 3.08Å; D690-K693 PolarHBondContact OD1-N 3.42Å; K693-G695 VanDerWaalsContact C-N 3.35Å; K693-S696 PolarHBondContact O-N 2.86Å; K693-F697 WeakPolarHBondContact O-CB 3.48Å; K693-F697 PolarHBondContact O-N 3.47Å |
| 694 | K | 85.3 | Confident | 87.4 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 174.2 | 178.8 | -170.6 | 175.5 | -166.6 | 0 | 111.6 | L433 S508 L509 I689 D690 E691 T692 F697 W698 | L433-K694 HydrophobicContact CD2-CB 3.87Å; L433-K694 HydrophobicContact CD2-CG 3.89Å; S508-K694 PolarHBondContact O-NZ 3.13Å; L509-K694 HydrophobicContact CD2-CB 4.37Å; L509-K694 HydrophobicContact CD2-CD 4.24Å; L509-K694 HydrophobicContact CD2-CG 4.24Å; I689-K694 HydrophobicContact CG2-CB 4.28Å; D690-K694 PolarHBondContact O-N 3.31Å; E691-K694 VanDerWaalsContact CD-NZ 3.33Å; E691-K694 WeakPolarHBondContact O-CB 3.36Å; E691-K694 PolarHBondContact O-N 2.72Å; E691-K694 WeakPolarHBondContact OE1-CD 3.43Å; E691-K694 IonicContact OE1-NZ 3Å; E691-K694 PolarHBondContact OE1-NZ 3.37Å; E691-K694 WeakPolarHBondContact OE2-CD 3.22Å; E691-K694 IonicContact OE2-NZ 3.21Å; E691-K694 PolarHBondContact OE2-NZ 3.07Å; T692-K694 VanDerWaalsContact C-N 3.33Å; T692-K694 PolarHBondContact O-N 3.36Å; K694-F697 PolarHBondContact O-N 3.16Å; K694-W698 PolarHBondContact O-N 3.23Å; K694-W698 VanDerWaalsContact O-N 3.14Å |
| 695 | G | 85.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L509 E691 T692 K693 F697 W698 I699 | L509-G695 VanDerWaalsContact CD1-CA 3.42Å; E691-G695 PolarHBondContact O-N 2.85Å; T692-G695 PolarHBondContact O-N 3.2Å; K693-G695 VanDerWaalsContact C-N 3.35Å; G695-F697 VanDerWaalsContact C-N 3.29Å; G695-F697 PolarHBondContact O-N 2.95Å; G695-W698 PolarHBondContact O-N 2.57Å; G695-I699 WeakPolarHBondContact O-CG1 3.42Å; G695-I699 PolarHBondContact O-N 3.05Å; G695-I699 VanDerWaalsContact O-N 3.11Å |
| 696 | S | 89.5 | Confident | 87.9 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 49% | 0.49 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | T692 K693 S700 | T692-S696 PolarHBondContact O-N 2.95Å; K693-S696 PolarHBondContact O-N 2.86Å; S696-S700 WeakPolarHBondContact O-CB 3.47Å; S696-S700 PolarHBondContact O-N 2.9Å; S696-S700 PolarHBondContact O-OG 2.76Å |
| 697 | F | 91.4 | Very high | 87.8 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59 | -50.1 | 176.8 | 172.4 | -91.3 | 0 | 0 | 0 | 111.8 | D431 L433 K693 K694 G695 S700 F701 | D431-F697 WeakPolarHBondContact O-CZ 3.41Å; D431-F697 WeakPolarHBondContact OD1-CE2 3.4Å; L433-F697 HydrophobicContact CB-CD1 3.77Å; L433-F697 HydrophobicContact CB-CD2 4.12Å; L433-F697 HydrophobicContact CB-CE1 3.81Å; L433-F697 HydrophobicContact CB-CE2 4.14Å; L433-F697 HydrophobicContact CB-CG 3.93Å; L433-F697 HydrophobicContact CB-CZ 4Å; L433-F697 HydrophobicContact CD1-CB 3.83Å; L433-F697 HydrophobicContact CD1-CD1 4.41Å; L433-F697 HydrophobicContact CD1-CD2 3.85Å; L433-F697 HydrophobicContact CD1-CG 3.75Å; L433-F697 HydrophobicContact CD2-CB 4.27Å; L433-F697 HydrophobicContact CD2-CD1 4.21Å; L433-F697 HydrophobicContact CD2-CG 4.26Å; L433-F697 HydrophobicContact CG-CD1 4.36Å; L433-F697 HydrophobicContact CG-CG 4.2Å; L433-F697 VanDerWaalsContact N-CZ 3.35Å; K693-F697 WeakPolarHBondContact O-CB 3.48Å; K693-F697 PolarHBondContact O-N 3.47Å; K694-F697 PolarHBondContact O-N 3.16Å; G695-F697 VanDerWaalsContact C-N 3.29Å; G695-F697 PolarHBondContact O-N 2.95Å; F697-S700 CarbonylContact O-C 3.48Å; F697-S700 PolarHBondContact O-N 3.19Å; F697-F701 HydrophobicContact CE1-CB 4.22Å; F697-F701 HydrophobicContact CE1-CD2 4.25Å; F697-F701 HydrophobicContact CZ-CB 4.5Å; F697-F701 HydrophobicContact CZ-CD2 4.12Å; F697-F701 WeakPolarHBondContact O-CB 3.46Å; F697-F701 PolarHBondContact O-N 3.43Å |
| 698 | W | 88.5 | Confident | 87.8 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.2 | -35.1 | -176.7 | -76.3 | 118.3 | 0 | 0 | 0 | 113.4 | M240 F507 K694 G695 S700 F701 Y702 | M240-W698 HydrophobicContact CE-CH2 3.78Å; M240-W698 HydrophobicContact CE-CZ3 3.77Å; F507-W698 AromaticContact CD1-CD1 3.84Å; F507-W698 HydrophobicContact CD1-CG 4.2Å; F507-W698 HydrophobicContact CE1-CB 3.59Å; F507-W698 AromaticContact CE1-CD1 3.33Å; F507-W698 AromaticContact CE1-CD2 4Å; F507-W698 HydrophobicContact CE1-CD2 4Å; F507-W698 AromaticContact CE1-CG 3.35Å; F507-W698 HydrophobicContact CE1-CG 3.35Å; F507-W698 AromaticContact CE1-NE1 3.94Å; F507-W698 HydrophobicContact CE2-CB 4.41Å; F507-W698 AromaticContact CE2-CD1 3.91Å; F507-W698 HydrophobicContact CE2-CG 4.42Å; F507-W698 HydrophobicContact CZ-CB 3.37Å; F507-W698 AromaticContact CZ-CD1 3.4Å; F507-W698 VanDerWaalsContact CZ-CD1 3.4Å; F507-W698 AromaticContact CZ-CG 3.52Å; F507-W698 HydrophobicContact CZ-CG 3.52Å; K694-W698 PolarHBondContact O-N 3.23Å; K694-W698 VanDerWaalsContact O-N 3.14Å; G695-W698 PolarHBondContact O-N 2.57Å; W698-S700 VanDerWaalsContact C-N 3.33Å; W698-F701 HydrophobicContact CE3-CB 4.11Å; W698-F701 AromaticContact CE3-CD1 4Å; W698-F701 HydrophobicContact CE3-CD1 4Å; W698-F701 AromaticContact CE3-CG 3.99Å; W698-F701 HydrophobicContact CE3-CG 3.99Å; W698-F701 AromaticContact CZ3-CD1 3.99Å; W698-F701 HydrophobicContact CZ3-CD1 3.99Å; W698-F701 HydrophobicContact CZ3-CD2 4.3Å; W698-F701 HydrophobicContact CZ3-CE1 4.2Å; W698-F701 HydrophobicContact CZ3-CE2 4.49Å; W698-F701 HydrophobicContact CZ3-CG 4.05Å; W698-F701 HydrophobicContact CZ3-CZ 4.45Å; W698-F701 PolarHBondContact O-N 3.46Å; W698-Y702 PolarHBondContact O-N 3.33Å |
| 699 | I | 89.4 | Confident | 87.6 | Confident | 96 Ų | 96 | 55.9 Ų | 55.9 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 170.3 | -67.4 | 167.8 | 0 | 0 | 0 | 109.2 | G695 F701 Y702 L703 | G695-I699 WeakPolarHBondContact O-CG1 3.42Å; G695-I699 PolarHBondContact O-N 3.05Å; G695-I699 VanDerWaalsContact O-N 3.11Å; I699-F701 VanDerWaalsContact C-N 3.34Å; I699-F701 PolarHBondContact O-N 2.83Å; I699-Y702 PolarHBondContact O-N 3.06Å; I699-L703 HydrophobicContact CG2-CD1 4.39Å; I699-L703 WeakPolarHBondContact O-CG 3.41Å; I699-L703 PolarHBondContact O-N 3.25Å; I699-L703 VanDerWaalsContact O-N 3.12Å |
| 700 | S | 93.8 | Very high | 87.3 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | S696 F697 W698 L703 R704 | S696-S700 WeakPolarHBondContact O-CB 3.47Å; S696-S700 PolarHBondContact O-N 2.9Å; S696-S700 PolarHBondContact O-OG 2.76Å; F697-S700 CarbonylContact O-C 3.48Å; F697-S700 PolarHBondContact O-N 3.19Å; W698-S700 VanDerWaalsContact C-N 3.33Å; S700-L703 PolarHBondContact O-N 3.27Å; S700-R704 WeakPolarHBondContact O-CG 3.37Å; S700-R704 PolarHBondContact O-N 3.01Å |
| 701 | F | 92.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.1 | 176.7 | -84.5 | 0 | 0 | 0 | 110.4 | M240 M428 D431 F697 W698 I699 L703 R704 H705 M712 | M240-F701 HydrophobicContact CE-CE1 4.19Å; M240-F701 HydrophobicContact CE-CE2 4.21Å; M240-F701 HydrophobicContact CE-CZ 3.66Å; M240-F701 HydrophobicContact SD-CZ 4Å; M428-F701 HydrophobicContact CB-CZ 4.14Å; M428-F701 HydrophobicContact CG-CZ 4.35Å; M428-F701 WeakPolarHBondContact O-CE2 3.49Å; D431-F701 HydrophobicContact CB-CD2 4.08Å; D431-F701 HydrophobicContact CB-CE2 3.93Å; D431-F701 WeakPolarHBondContact O-CD2 3.34Å; D431-F701 WeakPolarHBondContact O-CE2 3.49Å; F697-F701 HydrophobicContact CE1-CB 4.22Å; F697-F701 HydrophobicContact CE1-CD2 4.25Å; F697-F701 HydrophobicContact CZ-CB 4.5Å; F697-F701 HydrophobicContact CZ-CD2 4.12Å; F697-F701 WeakPolarHBondContact O-CB 3.46Å; F697-F701 PolarHBondContact O-N 3.43Å; W698-F701 HydrophobicContact CE3-CB 4.11Å; W698-F701 AromaticContact CE3-CD1 4Å; W698-F701 HydrophobicContact CE3-CD1 4Å; W698-F701 AromaticContact CE3-CG 3.99Å; W698-F701 HydrophobicContact CE3-CG 3.99Å; W698-F701 AromaticContact CZ3-CD1 3.99Å; W698-F701 HydrophobicContact CZ3-CD1 3.99Å; W698-F701 HydrophobicContact CZ3-CD2 4.3Å; W698-F701 HydrophobicContact CZ3-CE1 4.2Å; W698-F701 HydrophobicContact CZ3-CE2 4.49Å; W698-F701 HydrophobicContact CZ3-CG 4.05Å; W698-F701 HydrophobicContact CZ3-CZ 4.45Å; W698-F701 PolarHBondContact O-N 3.46Å; I699-F701 VanDerWaalsContact C-N 3.34Å; I699-F701 PolarHBondContact O-N 2.83Å; F701-L703 VanDerWaalsContact C-N 3.32Å; F701-L703 PolarHBondContact O-N 3.24Å; F701-R704 PolarHBondContact O-N 2.92Å; F701-H705 AromaticContact CD2-CD2 3.81Å; F701-H705 HydrophobicContact CE1-CB 4.48Å; F701-H705 AromaticContact CE2-CD2 3.72Å; F701-H705 AromaticContact CZ-CD2 3.93Å; F701-H705 PolarHBondContact O-CD2 3.03Å; F701-H705 VanDerWaalsContact O-CD2 3.31Å; F701-H705 PolarHBondContact O-N 3.34Å; F701-M712 HydrophobicContact CE1-CE 4.23Å |
| 702 | Y | 90.2 | Very high | 87.1 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.1 | 177 | -104.3 | 0 | 0 | 0 | 111.9 | L484 W698 I699 R704 H705 P706 | L484-Y702 HydrophobicContact CD2-CD2 4.03Å; L484-Y702 HydrophobicContact CD2-CE2 3.13Å; L484-Y702 WeakPolarHBondContact CD2-OH 3.25Å; W698-Y702 PolarHBondContact O-N 3.33Å; I699-Y702 PolarHBondContact O-N 3.06Å; Y702-R704 VanDerWaalsContact C-N 3.34Å; Y702-R704 PolarHBondContact O-N 3.08Å; Y702-H705 CarbonylContact O-C 3.55Å; Y702-H705 PolarHBondContact O-N 2.95Å; Y702-P706 WeakPolarHBondContact CE2-O 3.49Å; Y702-P706 WeakPolarHBondContact O-CA 3.28Å; Y702-P706 VanDerWaalsContact O-N 3.11Å |
| 703 | L | 94.2 | Very high | 87 | Confident | 124 Ų | 124 | 54.6 Ų | 54.6 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.7 | -37.1 | 176 | -65.8 | 174.7 | 0 | 0 | 0 | 112.5 | I699 S700 F701 | I699-L703 HydrophobicContact CG2-CD1 4.39Å; I699-L703 WeakPolarHBondContact O-CG 3.41Å; I699-L703 PolarHBondContact O-N 3.25Å; I699-L703 VanDerWaalsContact O-N 3.12Å; S700-L703 PolarHBondContact O-N 3.27Å; F701-L703 VanDerWaalsContact C-N 3.32Å; F701-L703 PolarHBondContact O-N 3.24Å |
| 704 | R | 95 | Very high | 86.8 | Confident | 117 Ų | 117 | 49.8 Ų | 49.8 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71 | -32 | 173.8 | -70.1 | -172.5 | -58.1 | -91.4 | 6 | 112.5 | D431 S700 F701 Y702 | D431-R704 VanDerWaalsContact CG-NH2 3.27Å; D431-R704 IonicContact OD1-CZ 3.78Å; D431-R704 IonicContact OD1-NE 3.46Å; D431-R704 IonicContact OD1-NH2 2.61Å; D431-R704 PolarHBondContact OD1-NH2 3.2Å; D431-R704 IonicContact OD2-CZ 2.87Å; D431-R704 VanDerWaalsContact OD2-CZ 3.26Å; D431-R704 IonicContact OD2-NE 2.78Å; D431-R704 PolarHBondContact OD2-NE 3.14Å; D431-R704 IonicContact OD2-NH2 2.76Å; D431-R704 PolarHBondContact OD2-NH2 3.22Å; S700-R704 WeakPolarHBondContact O-CG 3.37Å; S700-R704 PolarHBondContact O-N 3.01Å; F701-R704 PolarHBondContact O-N 2.92Å; Y702-R704 VanDerWaalsContact C-N 3.34Å; Y702-R704 PolarHBondContact O-N 3.08Å |
| 705 | H | 93.3 | Very high | 86.6 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | trans | -129.6 | 71.5 | -176.7 | -52.3 | -75.4 | 0 | 0 | 0 | 112.2 | M428 D431 F701 Y702 Q707 S708 | M428-H705 HydrophobicContact CG-CB 3.69Å; M428-H705 WeakPolarHBondContact CG-ND1 3.22Å; M428-H705 HydrophobicContact SD-CB 4.08Å; D431-H705 IonicContact OD2-CD2 2.81Å; D431-H705 PolarHBondContact OD2-CD2 3.43Å; D431-H705 IonicContact OD2-NE2 2.8Å; D431-H705 PolarHBondContact OD2-NE2 3.15Å; F701-H705 AromaticContact CD2-CD2 3.81Å; F701-H705 HydrophobicContact CE1-CB 4.48Å; F701-H705 AromaticContact CE2-CD2 3.72Å; F701-H705 AromaticContact CZ-CD2 3.93Å; F701-H705 PolarHBondContact O-CD2 3.03Å; F701-H705 VanDerWaalsContact O-CD2 3.31Å; F701-H705 PolarHBondContact O-N 3.34Å; Y702-H705 CarbonylContact O-C 3.55Å; Y702-H705 PolarHBondContact O-N 2.95Å; H705-Q707 PolarHBondContact O-N 2.93Å; H705-Q707 VanDerWaalsContact O-N 3.11Å; H705-S708 WeakPolarHBondContact O-CB 3.39Å; H705-S708 PolarHBondContact O-N 2.61Å; H705-S708 PolarHBondContact O-OG 3.46Å | ||
| 706 | P | 89.8 | Confident | 86.4 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.1 | -173.3 | -26.5 | 35.6 | 0 | 0 | 0 | 114.6 | Y702 S708 | Y702-P706 WeakPolarHBondContact CE2-O 3.49Å; Y702-P706 WeakPolarHBondContact O-CA 3.28Å; Y702-P706 VanDerWaalsContact O-N 3.11Å; P706-S708 PolarHBondContact O-N 2.8Å |
| 707 | Q | 84.9 | Confident | 85.8 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.3 | 176.1 | 71.3 | -75.5 | -6.1 | 0 | 0 | 113.9 | M428 H705 G709 S710 | M428-Q707 HydrophobicContact SD-CG 4.25Å; H705-Q707 PolarHBondContact O-N 2.93Å; H705-Q707 VanDerWaalsContact O-N 3.11Å; Q707-G709 PolarHBondContact O-N 3.5Å; Q707-G709 VanDerWaalsContact O-N 3.16Å; Q707-S710 PolarHBondContact O-N 3.16Å; Q707-S710 PolarHBondContact O-OG 3.46Å |
| 708 | S | 85.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.6 | -33.4 | -174.4 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | H705 P706 S710 H711 M712 | H705-S708 WeakPolarHBondContact O-CB 3.39Å; H705-S708 PolarHBondContact O-N 2.61Å; H705-S708 PolarHBondContact O-OG 3.46Å; P706-S708 PolarHBondContact O-N 2.8Å; S708-S710 PolarHBondContact O-N 3.25Å; S708-S710 VanDerWaalsContact O-N 3.11Å; S708-H711 WeakPolarHBondContact O-CA 3.41Å; S708-H711 WeakPolarHBondContact O-CB 3.47Å; S708-H711 PolarHBondContact O-N 3.39Å; S708-M712 VanDerWaalsContact O-CG 3.29Å; S708-M712 WeakPolarHBondContact O-CG 3.36Å; S708-M712 PolarHBondContact O-N 2.87Å; S708-M712 VanDerWaalsContact OG-CE 3.3Å; S708-M712 WeakPolarHBondContact OG-CE 3.43Å |
| 709 | G | 79.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.9 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q707 M712 R713 | Q707-G709 PolarHBondContact O-N 3.5Å; Q707-G709 VanDerWaalsContact O-N 3.16Å; G709-M712 PolarHBondContact O-N 3.34Å; G709-R713 VanDerWaalsContact O-CG 3.23Å; G709-R713 WeakPolarHBondContact O-CG 3.21Å; G709-R713 PolarHBondContact O-N 3.49Å |
| 710 | S | 78.1 | Confident | 85.1 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 47% | 0.469 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.7 | -31.2 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | Q707 S708 K715 | Q707-S710 PolarHBondContact O-N 3.16Å; Q707-S710 PolarHBondContact O-OG 3.46Å; S708-S710 PolarHBondContact O-N 3.25Å; S708-S710 VanDerWaalsContact O-N 3.11Å; S710-K715 PolarHBondContact O-NZ 2.89Å |
| 711 | H | 78.5 | Confident | 84.7 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 20% | 0.199 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.5 | -32.1 | 174.5 | -67.3 | -87.7 | 0 | 0 | 0 | 111.6 | I244 H389 S708 | I244-H711 WeakPolarHBondContact CG1-O 3.48Å; H389-H711 AromaticContact CE1-ND1 3.71Å; H389-H711 AromaticContact ND1-CE1 3.6Å; H389-H711 AromaticContact ND1-ND1 3.24Å; H389-H711 PolarHBondContact ND1-ND1 2.89Å; S708-H711 WeakPolarHBondContact O-CA 3.41Å; S708-H711 WeakPolarHBondContact O-CB 3.47Å; S708-H711 PolarHBondContact O-N 3.39Å |
| 712 | M | 77.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -89.9 | -4.5 | -175.3 | -58.4 | -166.5 | -82.5 | 0 | 0 | 114.6 | M504 N505 F701 S708 G709 | M504-M712 HydrophobicContact CE-CB 4.15Å; M504-M712 HydrophobicContact CE-CG 3.35Å; M504-M712 HydrophobicContact CE-SD 3.39Å; M504-M712 WeakPolarHBondContact CE-SD 3.33Å; N505-M712 HydrophobicContact CB-CB 3.98Å; N505-M712 WeakPolarHBondContact CB-O 3.46Å; F701-M712 HydrophobicContact CE1-CE 4.23Å; S708-M712 VanDerWaalsContact O-CG 3.29Å; S708-M712 WeakPolarHBondContact O-CG 3.36Å; S708-M712 PolarHBondContact O-N 2.87Å; S708-M712 VanDerWaalsContact OG-CE 3.3Å; S708-M712 WeakPolarHBondContact OG-CE 3.43Å; G709-M712 PolarHBondContact O-N 3.34Å |
| 713 | R | 78.9 | Confident | 84.5 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 35% | 0.347 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -78.7 | 129.8 | 178.6 | -86 | 171 | 176.9 | -166.8 | -2.7 | 112.6 | S482 G709 K715 I717 | S482-R713 PolarHBondContact O-NH2 3Å; G709-R713 VanDerWaalsContact O-CG 3.23Å; G709-R713 WeakPolarHBondContact O-CG 3.21Å; G709-R713 PolarHBondContact O-N 3.49Å; R713-K715 PolarHBondContact O-N 3.1Å; R713-I717 HydrophobicContact CG-CD1 4.46Å |
| 714 | L | 81.6 | Confident | 84.2 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | trans | -53.9 | 130.6 | 163.9 | -80.1 | 178.5 | 0 | 0 | 0 | 110.9 | I244 P246 T503 I717 | I244-L714 HydrophobicContact CG2-CD2 4.08Å; I244-L714 HydrophobicContact CG2-CG 4.48Å; I244-L714 WeakPolarHBondContact O-CD2 3.46Å; P246-L714 HydrophobicContact CG-CD2 4.21Å; T503-L714 HydrophobicContact CG2-CD1 3.81Å; T503-L714 HydrophobicContact CG2-CD2 3.63Å; T503-L714 HydrophobicContact CG2-CG 3.76Å; L714-I717 HydrophobicContact CB-CG2 3.59Å; L714-I717 HydrophobicContact CD1-CG2 4.05Å; L714-I717 WeakPolarHBondContact O-CG1 3.49Å | ||
| 715 | K | 82 | Confident | 83.9 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -77.4 | -22.6 | -179.5 | -60.4 | -51.5 | -176.3 | -168 | 0 | 114 | Y189 P191 F388 S710 R713 I717 | Y189-K715 HydrophobicContact CE1-CG 4.12Å; P191-K715 HydrophobicContact CG-CB 4.01Å; F388-K715 VanDerWaalsContact CZ-CE 3.45Å; S710-K715 PolarHBondContact O-NZ 2.89Å; R713-K715 PolarHBondContact O-N 3.1Å; K715-I717 VanDerWaalsContact C-N 3.34Å; K715-I717 PolarHBondContact O-N 2.95Å |
| 716 | G | 80.9 | Confident | 83.8 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -70.3 | -21.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | T718 M719 | G716-T718 PolarHBondContact O-N 3.3Å; G716-T718 VanDerWaalsContact O-N 3.15Å; G716-M719 WeakPolarHBondContact O-CB 3.46Å; G716-M719 PolarHBondContact O-N 3.24Å; G716-M719 VanDerWaalsContact O-N 3.11Å |
| 717 | I | 77.1 | Confident | 84 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -64.9 | -24.6 | -171.3 | 69.9 | -173.6 | 0 | 0 | 0 | 113.5 | R713 L714 K715 | R713-I717 HydrophobicContact CG-CD1 4.46Å; L714-I717 HydrophobicContact CB-CG2 3.59Å; L714-I717 HydrophobicContact CD1-CG2 4.05Å; L714-I717 WeakPolarHBondContact O-CG1 3.49Å; K715-I717 VanDerWaalsContact C-N 3.34Å; K715-I717 PolarHBondContact O-N 2.95Å |
| 718 | T | 79.7 | Confident | 84.4 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -100.5 | 10.9 | -177.9 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | R192 G716 | R192-T718 PolarHBondContact NH2-OG1 2.82Å; G716-T718 PolarHBondContact O-N 3.3Å; G716-T718 VanDerWaalsContact O-N 3.15Å |
| 719 | M | 85.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -101.2 | 141.6 | -178.5 | -63.9 | 174.8 | 65.4 | 0 | 0 | 110 | V180 P191 R192 G716 T723 | V180-M719 HydrophobicContact CG1-SD 3.69Å; P191-M719 HydrophobicContact CB-SD 4.09Å; P191-M719 WeakPolarHBondContact O-CE 3.26Å; R192-M719 HydrophobicContact CG-CG 4.32Å; G716-M719 WeakPolarHBondContact O-CB 3.46Å; G716-M719 PolarHBondContact O-N 3.24Å; G716-M719 VanDerWaalsContact O-N 3.11Å; M719-T723 HydrophobicContact CE-CG2 3.47Å; M719-T723 VanDerWaalsContact CE-CG2 3.47Å |
| 720 | A | 89 | Confident | 85.6 | Confident | 66 Ų | 66 | 55.2 Ų | 55.2 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | trans | -60.7 | 149.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L722 T723 Y724 | A720-L722 VanDerWaalsContact C-N 3.25Å; A720-L722 PolarHBondContact O-N 2.93Å; A720-L722 VanDerWaalsContact O-N 3.17Å; A720-T723 WeakPolarHBondContact O-CB 3.44Å; A720-T723 PolarHBondContact O-N 3.38Å; A720-Y724 PolarHBondContact O-N 3.2Å | ||
| 721 | S | 85.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.6 | -38.4 | -175.4 | -130.8 | 0 | 0 | 0 | 0 | 113.8 | R725 | S721-R725 PolarHBondContact O-N 3.03Å; S721-R725 VanDerWaalsContact O-N 3.14Å; S721-R725 PolarHBondContact OG-NH1 3.42Å |
| 722 | L | 88.6 | Confident | 87.2 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 58% | 0.581 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.4 | -45.8 | 176.9 | -64.2 | 177.6 | 0 | 0 | 0 | 111.2 | A720 R725 S726 F727 | A720-L722 VanDerWaalsContact C-N 3.25Å; A720-L722 PolarHBondContact O-N 2.93Å; A720-L722 VanDerWaalsContact O-N 3.17Å; L722-R725 PolarHBondContact O-N 2.85Å; L722-S726 PolarHBondContact O-N 3.12Å; L722-S726 VanDerWaalsContact O-N 3.09Å; L722-F727 HydrophobicContact CD2-CB 4.25Å; L722-F727 HydrophobicContact CD2-CD2 3.93Å; L722-F727 PolarHBondContact O-N 3.09Å |
| 723 | T | 89.3 | Confident | 88 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 179.3 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | R197 M719 A720 R725 S726 | R197-T723 PolarHBondContact NH1-O 3.26Å; R197-T723 VanDerWaalsContact NH1-O 3.09Å; M719-T723 HydrophobicContact CE-CG2 3.47Å; M719-T723 VanDerWaalsContact CE-CG2 3.47Å; A720-T723 WeakPolarHBondContact O-CB 3.44Å; A720-T723 PolarHBondContact O-N 3.38Å; T723-R725 VanDerWaalsContact C-N 3.35Å; T723-S726 PolarHBondContact O-N 3.13Å |
| 724 | Y | 89.1 | Confident | 88.9 | Confident | 71 Ų | 71 | 56 Ų | 56 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -31.5 | 178.4 | 177.4 | -103.7 | 0 | 0 | 0 | 113 | P177 S179 V180 A720 S726 | P177-Y724 WeakPolarHBondContact CB-O 3.26Å; P177-Y724 WeakPolarHBondContact CD-OH 2.89Å; P177-Y724 HydrophobicContact CG-CD1 4.06Å; P177-Y724 HydrophobicContact CG-CE1 3.57Å; P177-Y724 HydrophobicContact CG-CE2 4.08Å; P177-Y724 VanDerWaalsContact CG-O 3.31Å; P177-Y724 WeakPolarHBondContact CG-O 3.49Å; S179-Y724 PolarHBondContact OG-O 2.84Å; V180-Y724 HydrophobicContact CG1-CD2 3.77Å; V180-Y724 HydrophobicContact CG1-CE2 3.81Å; V180-Y724 HydrophobicContact CG2-CE2 4.07Å; A720-Y724 PolarHBondContact O-N 3.2Å; Y724-S726 VanDerWaalsContact C-N 3.35Å |
| 725 | R | 88.1 | Confident | 89.6 | Confident | 110 Ų | 110 | 59.4 Ų | 59.4 | 42% | 0.415 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.7 | 174.2 | -65.8 | -169 | -172.9 | 84.3 | -0.2 | 113.4 | S721 L722 T723 F727 | S721-R725 PolarHBondContact O-N 3.03Å; S721-R725 VanDerWaalsContact O-N 3.14Å; S721-R725 PolarHBondContact OG-NH1 3.42Å; L722-R725 PolarHBondContact O-N 2.85Å; T723-R725 VanDerWaalsContact C-N 3.35Å; R725-F727 HydrophobicContact CB-CD1 4.26Å; R725-F727 HydrophobicContact CB-CD2 3.95Å; R725-F727 HydrophobicContact CB-CE1 4.21Å; R725-F727 HydrophobicContact CB-CE2 3.92Å; R725-F727 HydrophobicContact CB-CG 4.12Å; R725-F727 HydrophobicContact CB-CZ 4.05Å; R725-F727 HydrophobicContact CG-CE2 4.4Å; R725-F727 PolarHBondContact O-N 2.88Å |
| 726 | S | 91.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 26.3 | -175.2 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | S179 L722 T723 Y724 D728 V729 L730 | S179-S726 VanDerWaalsContact CB-OG 3.31Å; S179-S726 WeakPolarHBondContact CB-OG 3.45Å; L722-S726 PolarHBondContact O-N 3.12Å; L722-S726 VanDerWaalsContact O-N 3.09Å; T723-S726 PolarHBondContact O-N 3.13Å; Y724-S726 VanDerWaalsContact C-N 3.35Å; S726-D728 VanDerWaalsContact C-N 3.29Å; S726-D728 PolarHBondContact O-N 3.24Å; S726-V729 WeakPolarHBondContact O-CB 3.48Å; S726-V729 PolarHBondContact O-N 3.41Å; S726-V729 VanDerWaalsContact O-N 3.15Å; S726-L730 WeakPolarHBondContact O-CG 3.08Å; S726-L730 PolarHBondContact O-N 3.34Å |
| 727 | F | 92.8 | Very high | 90.9 | Very high | 110 Ų | 110 | 66.1 Ų | 66.1 | 48% | 0.482 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.8 | -31.6 | -178.4 | -74.2 | -31.2 | 0 | 0 | 0 | 112.9 | L722 R725 L730 G731 | L722-F727 HydrophobicContact CD2-CB 4.25Å; L722-F727 HydrophobicContact CD2-CD2 3.93Å; L722-F727 PolarHBondContact O-N 3.09Å; R725-F727 HydrophobicContact CB-CD1 4.26Å; R725-F727 HydrophobicContact CB-CD2 3.95Å; R725-F727 HydrophobicContact CB-CE1 4.21Å; R725-F727 HydrophobicContact CB-CE2 3.92Å; R725-F727 HydrophobicContact CB-CG 4.12Å; R725-F727 HydrophobicContact CB-CZ 4.05Å; R725-F727 HydrophobicContact CG-CE2 4.4Å; R725-F727 PolarHBondContact O-N 2.88Å; F727-L730 HydrophobicContact CD1-CD1 4.23Å; F727-G731 PolarHBondContact O-N 3.08Å |
| 728 | D | 93.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 170.8 | 56.8 | -23.2 | 0 | 0 | 0 | 112.5 | R197 S726 F732 | R197-D728 IonicContact CZ-OD1 2.86Å; R197-D728 IonicContact CZ-OD2 3.35Å; R197-D728 IonicContact NH1-OD1 3.66Å; R197-D728 PolarHBondContact NH1-OD1 2.68Å; R197-D728 IonicContact NH1-OD2 3.37Å; R197-D728 PolarHBondContact NH1-OD2 3.44Å; R197-D728 IonicContact NH2-OD1 3.45Å; R197-D728 IonicContact NH2-OD2 3.12Å; R197-D728 PolarHBondContact NH2-OD2 3.15Å; S726-D728 VanDerWaalsContact C-N 3.29Å; S726-D728 PolarHBondContact O-N 3.24Å; D728-F732 WeakPolarHBondContact O-CB 3.41Å; D728-F732 PolarHBondContact O-N 2.76Å |
| 729 | V | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | F194 R197 L198 V201 S726 G731 F732 M733 | F194-V729 HydrophobicContact CD2-CG2 4.01Å; F194-V729 HydrophobicContact CE2-CB 4.34Å; F194-V729 HydrophobicContact CE2-CG2 3.71Å; F194-V729 HydrophobicContact CZ-CG2 4.27Å; R197-V729 HydrophobicContact CB-CG2 3.93Å; L198-V729 HydrophobicContact CB-CG1 4.15Å; L198-V729 HydrophobicContact CD1-CG1 3.72Å; V201-V729 HydrophobicContact CB-CG1 4.09Å; V201-V729 HydrophobicContact CG1-CG1 4.37Å; V201-V729 HydrophobicContact CG2-CB 4.48Å; V201-V729 HydrophobicContact CG2-CG1 3.95Å; S726-V729 WeakPolarHBondContact O-CB 3.48Å; S726-V729 PolarHBondContact O-N 3.41Å; S726-V729 VanDerWaalsContact O-N 3.15Å; V729-G731 VanDerWaalsContact C-N 3.34Å; V729-G731 PolarHBondContact O-N 3.3Å; V729-F732 WeakPolarHBondContact O-CB 3.41Å; V729-F732 PolarHBondContact O-N 2.95Å; V729-M733 HydrophobicContact CG1-SD 4.29Å; V729-M733 WeakPolarHBondContact O-CG 3.5Å; V729-M733 PolarHBondContact O-N 3.26Å |
| 730 | L | 94 | Very high | 93.2 | Very high | 62 Ų | 62 | 72.8 Ų | 72.8 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.2 | -68.9 | 173.9 | 0 | 0 | 0 | 111.4 | V201 F205 S726 F727 M733 C734 | V201-L730 HydrophobicContact CG1-CD2 4.12Å; F205-L730 HydrophobicContact CE2-CD2 4.4Å; F205-L730 HydrophobicContact CZ-CD2 4.48Å; S726-L730 WeakPolarHBondContact O-CG 3.08Å; S726-L730 PolarHBondContact O-N 3.34Å; F727-L730 HydrophobicContact CD1-CD1 4.23Å; L730-M733 PolarHBondContact O-N 3.32Å; L730-C734 PolarHBondContact O-N 3.06Å; L730-C734 PolarHBondContact O-SG 2.99Å |
| 731 | G | 95.6 | Very high | 93.5 | Very high | 31 Ų | 31 | 77 Ų | 77 | 32% | 0.32 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F727 V729 M733 C734 I735 | F727-G731 PolarHBondContact O-N 3.08Å; V729-G731 VanDerWaalsContact C-N 3.34Å; V729-G731 PolarHBondContact O-N 3.3Å; G731-M733 PolarHBondContact O-N 3.41Å; G731-C734 PolarHBondContact O-N 2.79Å; G731-I735 WeakPolarHBondContact O-CG1 3.1Å; G731-I735 PolarHBondContact O-N 3.01Å |
| 732 | F | 96 | Very high | 94 | Very high | 81 Ų | 81 | 81.7 Ų | 81.7 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174.2 | 174.4 | -102.6 | 0 | 0 | 0 | 112.6 | F194 L198 D728 V729 C734 I735 L736 | F194-F732 HydrophobicContact CE1-CD1 4.06Å; F194-F732 HydrophobicContact CE1-CE1 4.3Å; F194-F732 HydrophobicContact CE1-CG 4.34Å; F194-F732 HydrophobicContact CE2-CB 4.39Å; F194-F732 HydrophobicContact CZ-CB 3.77Å; F194-F732 AromaticContact CZ-CD1 3.72Å; F194-F732 HydrophobicContact CZ-CD1 3.72Å; F194-F732 HydrophobicContact CZ-CD2 4.4Å; F194-F732 HydrophobicContact CZ-CE1 4.4Å; F194-F732 AromaticContact CZ-CG 3.7Å; F194-F732 HydrophobicContact CZ-CG 3.7Å; L198-F732 HydrophobicContact CD2-CE1 4.32Å; D728-F732 WeakPolarHBondContact O-CB 3.41Å; D728-F732 PolarHBondContact O-N 2.76Å; V729-F732 WeakPolarHBondContact O-CB 3.41Å; V729-F732 PolarHBondContact O-N 2.95Å; F732-C734 PolarHBondContact O-N 2.95Å; F732-I735 PolarHBondContact O-N 3.01Å; F732-L736 HydrophobicContact CD1-CD1 4.06Å; F732-L736 HydrophobicContact CE1-CD1 3.42Å; F732-L736 VanDerWaalsContact CE1-CD1 3.42Å; F732-L736 HydrophobicContact CE1-CG 4.19Å; F732-L736 HydrophobicContact CE2-CD1 4.4Å; F732-L736 HydrophobicContact CE2-CG 4.39Å; F732-L736 HydrophobicContact CZ-CD1 3.63Å; F732-L736 HydrophobicContact CZ-CD2 4.34Å; F732-L736 HydrophobicContact CZ-CG 4.08Å; F732-L736 PolarHBondContact O-N 3.16Å |
| 733 | M | 94.5 | Very high | 94.3 | Very high | 41 Ų | 41 | 81.1 Ų | 81.1 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.8 | -70.3 | 176.3 | 66.6 | 0 | 0 | 112.1 | L198 V201 L202 F205 V729 L730 G731 L736 L737 | L198-M733 HydrophobicContact CD1-CG 4.09Å; L198-M733 HydrophobicContact CD1-SD 4.16Å; V201-M733 HydrophobicContact CG1-SD 3.81Å; L202-M733 HydrophobicContact CD2-CE 3.95Å; F205-M733 HydrophobicContact CD2-CE 4.35Å; F205-M733 HydrophobicContact CE2-CE 4.11Å; V729-M733 HydrophobicContact CG1-SD 4.29Å; V729-M733 WeakPolarHBondContact O-CG 3.5Å; V729-M733 PolarHBondContact O-N 3.26Å; L730-M733 PolarHBondContact O-N 3.32Å; G731-M733 PolarHBondContact O-N 3.41Å; M733-L736 PolarHBondContact O-N 3.01Å; M733-L737 WeakPolarHBondContact O-CG 3.47Å; M733-L737 PolarHBondContact O-N 3.07Å |
| 734 | C | 96.1 | Very high | 94.5 | Very high | 70 Ų | 70 | 82.8 Ų | 82.8 | 47% | 0.473 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | L730 G731 F732 L736 L737 L738 | L730-C734 PolarHBondContact O-N 3.06Å; L730-C734 PolarHBondContact O-SG 2.99Å; G731-C734 PolarHBondContact O-N 2.79Å; F732-C734 PolarHBondContact O-N 2.95Å; C734-L736 PolarHBondContact O-N 3.09Å; C734-L737 PolarHBondContact O-N 3.4Å; C734-L738 WeakPolarHBondContact O-CB 3.33Å; C734-L738 VanDerWaalsContact O-CG 3.31Å; C734-L738 WeakPolarHBondContact O-CG 3.36Å; C734-L738 PolarHBondContact O-N 3.25Å |
| 735 | I | 97.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 82.6 Ų | 82.6 | 59% | 0.59 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 175.9 | -68 | 164.9 | 0 | 0 | 0 | 110.8 | G731 F732 L738 A739 | G731-I735 WeakPolarHBondContact O-CG1 3.1Å; G731-I735 PolarHBondContact O-N 3.01Å; F732-I735 PolarHBondContact O-N 3.01Å; I735-L738 PolarHBondContact O-N 3.28Å; I735-A739 WeakPolarHBondContact O-CB 3.18Å; I735-A739 PolarHBondContact O-N 2.58Å |
| 736 | L | 96 | Very high | 94.9 | Very high | 93 Ų | 93 | 79.1 Ų | 79.1 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.6 | -72.6 | -179.6 | 0 | 0 | 0 | 112.5 | F732 M733 C734 A739 F740 | F732-L736 HydrophobicContact CD1-CD1 4.06Å; F732-L736 HydrophobicContact CE1-CD1 3.42Å; F732-L736 VanDerWaalsContact CE1-CD1 3.42Å; F732-L736 HydrophobicContact CE1-CG 4.19Å; F732-L736 HydrophobicContact CE2-CD1 4.4Å; F732-L736 HydrophobicContact CE2-CG 4.39Å; F732-L736 HydrophobicContact CZ-CD1 3.63Å; F732-L736 HydrophobicContact CZ-CD2 4.34Å; F732-L736 HydrophobicContact CZ-CG 4.08Å; F732-L736 PolarHBondContact O-N 3.16Å; M733-L736 PolarHBondContact O-N 3.01Å; C734-L736 PolarHBondContact O-N 3.09Å; L736-A739 PolarHBondContact O-N 3.19Å; L736-F740 WeakPolarHBondContact O-CB 3.46Å; L736-F740 PolarHBondContact O-N 2.9Å |
| 737 | L | 94.5 | Very high | 94.9 | Very high | 119 Ų | 119 | 81.6 Ų | 81.6 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 177.1 | -71.3 | 172.7 | 0 | 0 | 0 | 111.9 | M733 C734 F740 Y741 | M733-L737 WeakPolarHBondContact O-CG 3.47Å; M733-L737 PolarHBondContact O-N 3.07Å; C734-L737 PolarHBondContact O-N 3.4Å; L737-F740 PolarHBondContact O-N 2.57Å; L737-Y741 WeakPolarHBondContact O-CB 3.26Å; L737-Y741 PolarHBondContact O-N 3.45Å |
| 738 | L | 96.8 | Very high | 94.9 | Very high | 119 Ų | 119 | 81.8 Ų | 81.8 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 175.9 | -70.9 | 171.7 | 0 | 0 | 0 | 111.9 | C734 I735 Y741 Y742 | C734-L738 WeakPolarHBondContact O-CB 3.33Å; C734-L738 VanDerWaalsContact O-CG 3.31Å; C734-L738 WeakPolarHBondContact O-CG 3.36Å; C734-L738 PolarHBondContact O-N 3.25Å; I735-L738 PolarHBondContact O-N 3.28Å; L738-Y741 PolarHBondContact O-N 3.18Å; L738-Y742 WeakPolarHBondContact O-CB 3.23Å; L738-Y742 PolarHBondContact O-N 2.79Å |
| 739 | A | 96.9 | Very high | 94.7 | Very high | 46 Ų | 46 | 84.8 Ų | 84.8 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I735 L736 Y742 I743 | I735-A739 WeakPolarHBondContact O-CB 3.18Å; I735-A739 PolarHBondContact O-N 2.58Å; L736-A739 PolarHBondContact O-N 3.19Å; A739-Y742 PolarHBondContact O-N 3Å; A739-I743 WeakPolarHBondContact O-CD1 3.1Å; A739-I743 WeakPolarHBondContact O-CG1 3.45Å; A739-I743 PolarHBondContact O-N 3.19Å |
| 740 | F | 95.8 | Very high | 94.4 | Very high | 130 Ų | 130 | 90.1 Ų | 90.1 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 175.8 | -176.4 | -107.5 | 0 | 0 | 0 | 112.1 | L736 L737 I743 I744 | L736-F740 WeakPolarHBondContact O-CB 3.46Å; L736-F740 PolarHBondContact O-N 2.9Å; L737-F740 PolarHBondContact O-N 2.57Å; F740-I743 PolarHBondContact O-N 2.9Å; F740-I744 HydrophobicContact CD1-CD1 3.75Å; F740-I744 HydrophobicContact CE1-CD1 3.27Å; F740-I744 HydrophobicContact CE1-CG1 4.34Å; F740-I744 HydrophobicContact CE2-CD1 4.29Å; F740-I744 HydrophobicContact CG-CD1 4.45Å; F740-I744 HydrophobicContact CZ-CD1 3.58Å; F740-I744 HydrophobicContact CZ-CG1 4.34Å; F740-I744 WeakPolarHBondContact O-CG1 3.26Å; F740-I744 PolarHBondContact O-N 2.87Å |
| 741 | Y | 95.6 | Very high | 93.8 | Very high | 153 Ų | 153 | 91.3 Ų | 91.3 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.1 | -46.2 | 174.6 | 176.3 | -95.6 | 0 | 0 | 0 | 112 | L737 L738 I743 I744 H745 | L737-Y741 WeakPolarHBondContact O-CB 3.26Å; L737-Y741 PolarHBondContact O-N 3.45Å; L738-Y741 PolarHBondContact O-N 3.18Å; Y741-I743 VanDerWaalsContact C-N 3.34Å; Y741-I743 PolarHBondContact O-N 3.31Å; Y741-I744 PolarHBondContact O-N 2.84Å; Y741-H745 WeakPolarHBondContact O-CB 3.41Å; Y741-H745 PolarHBondContact O-N 3.38Å |
| 742 | Y | 95.8 | Very high | 93.2 | Very high | 163 Ų | 163 | 94.7 Ų | 94.7 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 177.2 | -180 | -94.6 | 0 | 0 | 0 | 112.2 | L738 A739 H745 S746 | L738-Y742 WeakPolarHBondContact O-CB 3.23Å; L738-Y742 PolarHBondContact O-N 2.79Å; A739-Y742 PolarHBondContact O-N 3Å; Y742-H745 PolarHBondContact O-N 3.36Å; Y742-S746 VanDerWaalsContact O-CB 3.23Å; Y742-S746 WeakPolarHBondContact O-CB 3.3Å; Y742-S746 PolarHBondContact O-N 3.16Å |
| 743 | I | 95.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175.2 | -69.6 | 163.4 | 0 | 0 | 0 | 110.5 | A739 F740 Y741 H745 S746 V747 | A739-I743 WeakPolarHBondContact O-CD1 3.1Å; A739-I743 WeakPolarHBondContact O-CG1 3.45Å; A739-I743 PolarHBondContact O-N 3.19Å; F740-I743 PolarHBondContact O-N 2.9Å; Y741-I743 VanDerWaalsContact C-N 3.34Å; Y741-I743 PolarHBondContact O-N 3.31Å; I743-H745 VanDerWaalsContact C-N 3.34Å; I743-H745 PolarHBondContact O-N 2.96Å; I743-S746 PolarHBondContact O-N 3.25Å; I743-V747 HydrophobicContact CG2-CG2 4.32Å; I743-V747 WeakPolarHBondContact O-CB 3.41Å; I743-V747 WeakPolarHBondContact O-CG2 3.46Å; I743-V747 PolarHBondContact O-N 2.84Å |
| 744 | I | 94.2 | Very high | 91.9 | Very high | 67 Ų | 67 | 100.3 Ų | 100.3 | 34% | 0.344 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.7 | -70.8 | 172.2 | 0 | 0 | 0 | 110.7 | F740 Y741 V747 Q748 | F740-I744 HydrophobicContact CD1-CD1 3.75Å; F740-I744 HydrophobicContact CE1-CD1 3.27Å; F740-I744 HydrophobicContact CE1-CG1 4.34Å; F740-I744 HydrophobicContact CE2-CD1 4.29Å; F740-I744 HydrophobicContact CG-CD1 4.45Å; F740-I744 HydrophobicContact CZ-CD1 3.58Å; F740-I744 HydrophobicContact CZ-CG1 4.34Å; F740-I744 WeakPolarHBondContact O-CG1 3.26Å; F740-I744 PolarHBondContact O-N 2.87Å; Y741-I744 PolarHBondContact O-N 2.84Å; I744-V747 PolarHBondContact O-N 3.42Å; I744-Q748 HydrophobicContact CG2-CG 4.47Å; I744-Q748 WeakPolarHBondContact O-CB 3.16Å; I744-Q748 WeakPolarHBondContact O-CG 3.26Å; I744-Q748 PolarHBondContact O-N 3.48Å |
| 745 | H | 93.2 | Very high | 91 | Very high | 67 Ų | 67 | 100.9 Ų | 100.9 | 31% | 0.31 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.8 | -168 | -82.2 | 0 | 0 | 0 | 112 | Y741 Y742 I743 Q748 E749 | Y741-H745 WeakPolarHBondContact O-CB 3.41Å; Y741-H745 PolarHBondContact O-N 3.38Å; Y742-H745 PolarHBondContact O-N 3.36Å; I743-H745 VanDerWaalsContact C-N 3.34Å; I743-H745 PolarHBondContact O-N 2.96Å; H745-Q748 PolarHBondContact O-N 3.46Å; H745-E749 IonicContact CE1-OE1 2.95Å; H745-E749 PolarHBondContact CE1-OE1 3.12Å; H745-E749 VanDerWaalsContact CE1-OE1 3.3Å; H745-E749 IonicContact CE1-OE2 2.92Å; H745-E749 PolarHBondContact CE1-OE2 3.45Å; H745-E749 VanDerWaalsContact CE1-OE2 3.31Å; H745-E749 IonicContact ND1-OE2 3.26Å; H745-E749 IonicContact NE2-OE1 3.05Å; H745-E749 PolarHBondContact O-N 2.83Å |
| 746 | S | 92.7 | Very high | 89.8 | Confident | 36 Ų | 36 | 99.7 Ų | 99.7 | 25% | 0.252 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | Y742 I743 Q748 H750 | Y742-S746 VanDerWaalsContact O-CB 3.23Å; Y742-S746 WeakPolarHBondContact O-CB 3.3Å; Y742-S746 PolarHBondContact O-N 3.16Å; I743-S746 PolarHBondContact O-N 3.25Å; S746-Q748 VanDerWaalsContact C-N 3.34Å; S746-Q748 PolarHBondContact O-N 3.4Å; S746-H750 VanDerWaalsContact O-CB 3.3Å; S746-H750 WeakPolarHBondContact O-CB 3.41Å; S746-H750 PolarHBondContact O-N 3.05Å |
| 747 | V | 92 | Very high | 88.2 | Confident | 56 Ų | 56 | 102.2 Ų | 102.2 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | I | π-helix | trans | -61 | -44 | 172.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | I743 I744 I751 L752 | I743-V747 HydrophobicContact CG2-CG2 4.32Å; I743-V747 WeakPolarHBondContact O-CB 3.41Å; I743-V747 WeakPolarHBondContact O-CG2 3.46Å; I743-V747 PolarHBondContact O-N 2.84Å; I744-V747 PolarHBondContact O-N 3.42Å; V747-I751 HydrophobicContact CG1-CB 4.4Å; V747-I751 HydrophobicContact CG2-CD1 4.03Å; V747-I751 CarbonylContact O-C 3.56Å; V747-I751 WeakPolarHBondContact O-CA 3.41Å; V747-I751 WeakPolarHBondContact O-CB 3.31Å; V747-I751 PolarHBondContact O-N 3.24Å; V747-I751 VanDerWaalsContact O-N 3.13Å; V747-L752 HydrophobicContact CG1-CD1 4.42Å; V747-L752 PolarHBondContact O-N 3.38Å |
| 748 | Q | 91 | Very high | 86.3 | Confident | 114 Ų | 114 | 105.5 Ų | 105.5 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | I | π-helix | trans | -67.5 | -40.2 | -180 | -75.6 | 176.4 | -27.6 | 0 | 0 | 113.6 | I744 H745 S746 L752 P753 | I744-Q748 HydrophobicContact CG2-CG 4.47Å; I744-Q748 WeakPolarHBondContact O-CB 3.16Å; I744-Q748 WeakPolarHBondContact O-CG 3.26Å; I744-Q748 PolarHBondContact O-N 3.48Å; H745-Q748 PolarHBondContact O-N 3.46Å; S746-Q748 VanDerWaalsContact C-N 3.34Å; S746-Q748 PolarHBondContact O-N 3.4Å; Q748-L752 WeakPolarHBondContact O-CB 3.46Å; Q748-P753 WeakPolarHBondContact O-CD 3.3Å |
| 749 | E | 89.4 | Confident | 84.2 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | I | π-helix | trans | -87.1 | -34.8 | -177.1 | -76.6 | -158.9 | 152.6 | 0 | 0 | 114.2 | H745 P753 | H745-E749 IonicContact CE1-OE1 2.95Å; H745-E749 PolarHBondContact CE1-OE1 3.12Å; H745-E749 VanDerWaalsContact CE1-OE1 3.3Å; H745-E749 IonicContact CE1-OE2 2.92Å; H745-E749 PolarHBondContact CE1-OE2 3.45Å; H745-E749 VanDerWaalsContact CE1-OE2 3.31Å; H745-E749 IonicContact ND1-OE2 3.26Å; H745-E749 IonicContact NE2-OE1 3.05Å; H745-E749 PolarHBondContact O-N 2.83Å; E749-P753 WeakPolarHBondContact O-CD 3.34Å; E749-P753 WeakPolarHBondContact O-CG 3.41Å |
| 750 | H | 89 | Confident | 81.7 | Confident | 112 Ų | 112 | 110.6 Ų | 110.6 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | I | π-helix | trans | -109.3 | -31.8 | -169.5 | -61 | 71.1 | 0 | 0 | 0 | 112.5 | S746 L754 | S746-H750 VanDerWaalsContact O-CB 3.3Å; S746-H750 WeakPolarHBondContact O-CB 3.41Å; S746-H750 PolarHBondContact O-N 3.05Å; H750-L754 WeakPolarHBondContact O-CD1 3.48Å; H750-L754 WeakPolarHBondContact O-CG 3.46Å |
| 751 | I | 82.8 | Confident | 79.5 | Confident | 87 Ų | 87 | 113.6 Ų | 113.6 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | I | π-helix | trans | -97.8 | -46.8 | -174.6 | -57.5 | -179.3 | 0 | 0 | 0 | 110.6 | V747 L754 L755 | V747-I751 HydrophobicContact CG1-CB 4.4Å; V747-I751 HydrophobicContact CG2-CD1 4.03Å; V747-I751 CarbonylContact O-C 3.56Å; V747-I751 WeakPolarHBondContact O-CA 3.41Å; V747-I751 WeakPolarHBondContact O-CB 3.31Å; V747-I751 PolarHBondContact O-N 3.24Å; V747-I751 VanDerWaalsContact O-N 3.13Å; I751-L754 PolarHBondContact O-N 2.61Å; I751-L755 PolarHBondContact O-N 3.34Å; I751-L755 VanDerWaalsContact O-N 3.09Å |
| 752 | L | 82.8 | Confident | 77 | Confident | 102 Ų | 102 | 113.2 Ų | 113.2 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -56.9 | -44 | -178.6 | -128.4 | 87.1 | 0 | 0 | 0 | 113 | V747 Q748 L754 L755 | V747-L752 HydrophobicContact CG1-CD1 4.42Å; V747-L752 PolarHBondContact O-N 3.38Å; Q748-L752 WeakPolarHBondContact O-CB 3.46Å; L752-L754 VanDerWaalsContact C-N 3.26Å; L752-L754 PolarHBondContact O-N 3.11Å; L752-L755 HydrophobicContact CD1-CD1 4.41Å; L752-L755 WeakPolarHBondContact O-CB 3.3Å; L752-L755 PolarHBondContact O-N 3.2Å |
| 753 | P | 82.7 | Confident | 74.6 | Confident | 95 Ų | 95 | 112.3 Ų | 112.3 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -72.3 | -18 | 178.4 | -21.7 | 36.8 | 0 | 0 | 0 | 114 | Q748 E749 | Q748-P753 WeakPolarHBondContact O-CD 3.3Å; E749-P753 WeakPolarHBondContact O-CD 3.34Å; E749-P753 WeakPolarHBondContact O-CG 3.41Å |
| 754 | L | 81.1 | Confident | 71.9 | Confident | 145 Ų | 145 | 121.4 Ų | 121.4 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -87.2 | -15.8 | 174.4 | -66.9 | 178.4 | 0 | 0 | 0 | 112.4 | H750 I751 L752 | H750-L754 WeakPolarHBondContact O-CD1 3.48Å; H750-L754 WeakPolarHBondContact O-CG 3.46Å; I751-L754 PolarHBondContact O-N 2.61Å; L752-L754 VanDerWaalsContact C-N 3.26Å; L752-L754 PolarHBondContact O-N 3.11Å |
| 755 | L | 75.7 | Confident | 70.8 | Confident | 82 Ų | 82 | 124.2 Ų | 124.2 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -67.2 | 126 | 171.4 | -69.4 | 169.1 | 0 | 0 | 0 | 107.5 | I751 L752 D757 | I751-L755 PolarHBondContact O-N 3.34Å; I751-L755 VanDerWaalsContact O-N 3.09Å; L752-L755 HydrophobicContact CD1-CD1 4.41Å; L752-L755 WeakPolarHBondContact O-CB 3.3Å; L752-L755 PolarHBondContact O-N 3.2Å; L755-D757 PolarHBondContact O-N 3.13Å |
| 756 | P | 72.5 | Confident | 69.6 | Low | 89 Ų | 89 | 127.2 Ų | 127.2 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | trans | -56.5 | 137.8 | -179.6 | 20.1 | -30.1 | 0 | 0 | 0 | 110.1 | K758 L759 | P756-K758 PolarHBondContact O-N 2.87Å; P756-L759 PolarHBondContact O-N 3.07Å | ||
| 757 | D | 62.7 | Low | 68.3 | Low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -50.5 | -10 | 177.6 | -76.6 | -37.3 | 0 | 0 | 0 | 114.5 | L755 L759 N760 | L755-D757 PolarHBondContact O-N 3.13Å; D757-L759 PolarHBondContact O-N 3.13Å; D757-N760 PolarHBondContact O-N 2.9Å; D757-N760 VanDerWaalsContact O-N 3.12Å |
| 758 | K | 54.8 | Low | 66.9 | Low | 187 Ų | 187 | 136.7 Ų | 136.7 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -66.5 | 4 | 173.5 | -70.2 | -169.2 | 174.6 | -176.5 | 0 | 115.1 | P756 | P756-K758 PolarHBondContact O-N 2.87Š|
| 759 | L | 52.2 | Low | 65.4 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -101 | 5.3 | 168.5 | -87.5 | 155 | 0 | 0 | 0 | 114.5 | P756 D757 Y761 | P756-L759 PolarHBondContact O-N 3.07Å; D757-L759 PolarHBondContact O-N 3.13Å; L759-Y761 PolarHBondContact O-N 2.75Å |
| 760 | N | 44.3 | Very low | 63.8 | Low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | trans | -69.6 | 67.4 | 155.4 | -89.7 | -16.6 | 0 | 0 | 0 | 109.6 | D757 D762 | D757-N760 PolarHBondContact O-N 2.9Å; D757-N760 VanDerWaalsContact O-N 3.12Å; N760-D762 PolarHBondContact O-N 2.6Å | ||
| 761 | Y | 49.2 | Very low | 62 | Low | 194 Ų | 194 | 141.4 Ų | 141.4 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -74 | 108.8 | 151.5 | -91.3 | -86.2 | 0 | 0 | 0 | 106.2 | L759 V763 | L759-Y761 PolarHBondContact O-N 2.75Å; Y761-V763 VanDerWaalsContact C-N 3.34Å; Y761-V763 PolarHBondContact O-N 2.57Å | ||
| 762 | D | 44.3 | Very low | 60.4 | Low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -37.5 | 97.1 | 158.8 | -89.2 | -48.6 | 0 | 0 | 0 | 109.7 | N760 R764 | N760-D762 PolarHBondContact O-N 2.6Å; D762-R764 PolarHBondContact O-N 2.77Å | ||
| 763 | V | 46 | Very low | 58.6 | Low | 144 Ų | 144 | 149.3 Ų | 149.3 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | trans | -87.3 | 81.2 | 157.3 | -174.6 | 0 | 0 | 0 | 0 | 105.2 | Y761 | Y761-V763 VanDerWaalsContact C-N 3.34Å; Y761-V763 PolarHBondContact O-N 2.57Å | ||
| 764 | R | 37.6 | Very low | 56.4 | Low | 292 Ų | 292 | 154.2 Ų | 154.2 | 100% | 1.102 | 76% | 0.756 | S | S | * | * | trans | -74.1 | 0 | 155.9 | -81.4 | -171.1 | -177.2 | -171.6 | 1.2 | 109.9 | D762 | D762-R764 PolarHBondContact O-N 2.77Š|
Retrieved 764 of 764 residues in 166.5 ms
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