| 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 | 36.8 | Very low | 54.4 | Low | 210 Ų | 210 | 123.9 Ų | 123.9 | 100% | 1.034 | 64% | 0.641 | S | S | * | * | 0 | 112.2 | 0 | -76.3 | 178.4 | -176.1 | 0 | 0 | 106.2 | H3 | M1-H3 PolarHBondContact O-N 2.9Š| |||
| 2 | E | 32.5 | Very low | 56.4 | Low | 195 Ų | 195 | 122 Ų | 122 | 91% | 0.911 | 62% | 0.619 | S | S | * | * | trans | -65.4 | 124.1 | -178 | -70.4 | 171.2 | 155.8 | 0 | 0 | 110 | R4 | E2-R4 PolarHBondContact O-N 3.38Š| ||
| 3 | H | 45.6 | Very low | 57.8 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 45% | 0.449 | 62% | 0.62 | S | S | . | * | trans | -70.7 | 112.3 | 176.7 | -76.8 | -85.6 | 0 | 0 | 0 | 108.8 | M1 I5 | M1-H3 PolarHBondContact O-N 2.9Å; H3-I5 PolarHBondContact O-N 3.12Å | ||
| 4 | R | 52.4 | Low | 59.4 | Low | 218 Ų | 218 | 115.4 Ų | 115.4 | 82% | 0.823 | 61% | 0.609 | S | S | * | * | trans | -65.6 | 117.1 | 173.9 | -72.6 | -177.3 | 178 | -178 | -1.8 | 108.6 | E2 V6 | E2-R4 PolarHBondContact O-N 3.38Å; R4-V6 PolarHBondContact O-N 2.86Å | ||
| 5 | I | 57.2 | Low | 60.7 | Low | 124 Ų | 124 | 118.5 Ų | 118.5 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | trans | -65.8 | 118.8 | 173.1 | -61.7 | 170 | 0 | 0 | 0 | 107.4 | H3 G7 | H3-I5 PolarHBondContact O-N 3.12Å; I5-G7 PolarHBondContact O-N 2.96Å | ||
| 6 | V | 61.5 | Low | 62.1 | Low | 21 Ų | 21 | 112.1 Ų | 112.1 | 13% | 0.127 | 58% | 0.576 | C | S | . | * | trans | -78.1 | 98 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | R4 R12 R15 L16 N62 | R4-V6 PolarHBondContact O-N 2.86Å; V6-R12 HydrophobicContact CG1-CG 4.15Å; V6-R12 PolarHBondContact O-NE 3.23Å; V6-R15 HydrophobicContact CG1-CB 4.3Å; V6-L16 HydrophobicContact CB-CD2 4.1Å; V6-L16 HydrophobicContact CG2-CD2 3.95Å; V6-N62 PolarHBondContact N-OD1 3.37Å | ||
| 7 | G | 57.3 | Low | 63.4 | Low | 40 Ų | 40 | 109.4 Ų | 109.4 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | trans | -56.5 | 156.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I5 G9 | I5-G7 PolarHBondContact O-N 2.96Å; G7-G9 PolarHBondContact O-N 2.73Å | ||
| 8 | P | 57.8 | Low | 64.5 | Low | 131 Ų | 131 | 106.6 Ų | 106.6 | 85% | 0.851 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -65.4 | 119.3 | 178 | 26.8 | -31.7 | 0 | 0 | 0 | 110.2 | ||
| 9 | G | 66.9 | Low | 65.5 | Low | 39 Ų | 39 | 104.3 Ų | 104.3 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | trans | -165 | 168.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G7 R12 | G7-G9 PolarHBondContact O-N 2.73Å; G9-R12 WeakPolarHBondContact O-CB 3.41Å; G9-R12 PolarHBondContact O-N 2.69Å | ||
| 10 | P | 56.5 | Low | 66.6 | Low | 106 Ų | 106 | 99.6 Ų | 99.6 | 69% | 0.688 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 143.1 | 176 | 25.4 | -32.9 | 0 | 0 | 0 | 110.3 | R12 | P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 2.79Å |
| 11 | Y | 73.8 | Confident | 67.4 | Low | 182 Ų | 182 | 94.8 Ų | 94.8 | 71% | 0.714 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 18.9 | -177.8 | -44 | -78.3 | 0 | 0 | 0 | 116.3 | A13 T14 R15 | Y11-A13 VanDerWaalsContact C-N 3.29Å; Y11-A13 PolarHBondContact O-N 3.44Å; Y11-T14 WeakPolarHBondContact O-CB 3.41Å; Y11-T14 PolarHBondContact O-N 2.91Å; Y11-R15 PolarHBondContact O-N 3.13Å |
| 12 | R | 78.1 | Confident | 69.7 | Low | 101 Ų | 101 | 89.3 Ų | 89.3 | 38% | 0.381 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -50.6 | -45.2 | 175.6 | 179.9 | 172.3 | -177.4 | -104 | -2.2 | 113.2 | V6 G9 P10 T14 R15 L16 | V6-R12 HydrophobicContact CG1-CG 4.15Å; V6-R12 PolarHBondContact O-NE 3.23Å; G9-R12 WeakPolarHBondContact O-CB 3.41Å; G9-R12 PolarHBondContact O-N 2.69Å; P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 2.79Å; R12-T14 VanDerWaalsContact C-N 3.33Å; R12-T14 PolarHBondContact O-N 3.45Å; R12-R15 PolarHBondContact O-N 2.62Å; R12-L16 HydrophobicContact CG-CD1 4.1Å; R12-L16 WeakPolarHBondContact O-CG 3.39Å; R12-L16 PolarHBondContact O-N 2.88Å |
| 13 | A | 75.6 | Confident | 72.2 | Confident | 77 Ų | 77 | 82.3 Ų | 82.3 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y11 L16 W17 | Y11-A13 VanDerWaalsContact C-N 3.29Å; Y11-A13 PolarHBondContact O-N 3.44Å; A13-L16 PolarHBondContact O-N 3.03Å; A13-W17 WeakPolarHBondContact O-CB 3.29Å; A13-W17 PolarHBondContact O-N 3.5Å |
| 14 | T | 79.7 | Confident | 74.2 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 177.4 | -45.4 | 0 | 0 | 0 | 0 | 111.9 | Y11 R12 W17 N18 | Y11-T14 WeakPolarHBondContact O-CB 3.41Å; Y11-T14 PolarHBondContact O-N 2.91Å; R12-T14 VanDerWaalsContact C-N 3.33Å; R12-T14 PolarHBondContact O-N 3.45Å; T14-W17 PolarHBondContact O-N 2.88Å; T14-N18 VanDerWaalsContact O-CG 3.23Å; T14-N18 PolarHBondContact O-N 2.95Å; T14-N18 PolarHBondContact O-ND2 3.33Å |
| 15 | R | 78.3 | Confident | 75.7 | Confident | 163 Ų | 163 | 69.8 Ų | 69.8 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.6 | -47.5 | 174.6 | -76.2 | -175.3 | 176.4 | 174.6 | -1.2 | 111.8 | V6 Y11 R12 W17 N18 E19 | V6-R15 HydrophobicContact CG1-CB 4.3Å; Y11-R15 PolarHBondContact O-N 3.13Å; R12-R15 PolarHBondContact O-N 2.62Å; R15-W17 VanDerWaalsContact C-N 3.31Å; R15-W17 PolarHBondContact O-N 3.3Å; R15-N18 PolarHBondContact O-N 3.22Å; R15-E19 WeakPolarHBondContact O-CB 3.46Å; R15-E19 PolarHBondContact O-N 3.36Å |
| 16 | L | 83.1 | Confident | 76.8 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.1 | -70.9 | 172.2 | 0 | 0 | 0 | 111.8 | V6 R12 A13 T20 N62 F63 | V6-L16 HydrophobicContact CB-CD2 4.1Å; V6-L16 HydrophobicContact CG2-CD2 3.95Å; R12-L16 HydrophobicContact CG-CD1 4.1Å; R12-L16 WeakPolarHBondContact O-CG 3.39Å; R12-L16 PolarHBondContact O-N 2.88Å; A13-L16 PolarHBondContact O-N 3.03Å; L16-T20 WeakPolarHBondContact O-CB 3.2Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 2.99Å; L16-N62 HydrophobicContact CD2-CB 3.75Å; L16-F63 HydrophobicContact CB-CE2 4.39Å; L16-F63 HydrophobicContact CB-CZ 4.04Å; L16-F63 HydrophobicContact CD1-CZ 4.39Å; L16-F63 HydrophobicContact CD2-CE2 4.13Å |
| 17 | W | 84.9 | Confident | 77.9 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 25% | 0.25 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.7 | -51.7 | 173.4 | 173.8 | -86.1 | 0 | 0 | 0 | 111.7 | A13 T14 R15 E19 T20 V21 L75 K78 F79 N82 V84 | A13-W17 WeakPolarHBondContact O-CB 3.29Å; A13-W17 PolarHBondContact O-N 3.5Å; T14-W17 PolarHBondContact O-N 2.88Å; R15-W17 VanDerWaalsContact C-N 3.31Å; R15-W17 PolarHBondContact O-N 3.3Å; W17-E19 PolarHBondContact O-N 3.08Å; W17-T20 PolarHBondContact O-N 3.34Å; W17-V21 HydrophobicContact CZ2-CG2 4.39Å; W17-V21 WeakPolarHBondContact O-CG2 3Å; W17-V21 PolarHBondContact O-N 2.7Å; W17-L75 HydrophobicContact CE3-CD1 3.84Å; W17-L75 HydrophobicContact CH2-CD1 4.44Å; W17-L75 HydrophobicContact CZ3-CD1 3.47Å; W17-L75 VanDerWaalsContact CZ3-CD1 3.47Å; W17-K78 HydrophobicContact CH2-CB 3.53Å; W17-K78 HydrophobicContact CZ3-CB 3.77Å; W17-F79 HydrophobicContact CD2-CE1 4.42Å; W17-F79 HydrophobicContact CE3-CE1 4.16Å; W17-F79 AromaticContact CH2-CD1 3.4Å; W17-F79 HydrophobicContact CH2-CD1 3.4Å; W17-F79 VanDerWaalsContact CH2-CD1 3.4Å; W17-F79 AromaticContact CH2-CE1 3.63Å; W17-F79 HydrophobicContact CH2-CE1 3.63Å; W17-F79 AromaticContact CZ2-CD1 3.76Å; W17-F79 HydrophobicContact CZ2-CD1 3.76Å; W17-F79 AromaticContact CZ2-CE1 3.87Å; W17-F79 HydrophobicContact CZ2-CE1 3.87Å; W17-F79 AromaticContact CZ3-CD1 3.96Å; W17-F79 HydrophobicContact CZ3-CD1 3.96Å; W17-F79 AromaticContact CZ3-CE1 3.8Å; W17-F79 HydrophobicContact CZ3-CE1 3.8Å; W17-N82 HydrophobicContact CZ2-CB 4.25Å; W17-N82 WeakPolarHBondContact CZ2-ND2 3.39Å; W17-V84 HydrophobicContact CZ2-CG2 4.44Å |
| 18 | N | 83.6 | Confident | 79.4 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | -178.8 | -70 | -15.3 | 0 | 0 | 0 | 111.9 | T14 R15 T20 V21 E22 L112 | T14-N18 VanDerWaalsContact O-CG 3.23Å; T14-N18 PolarHBondContact O-N 2.95Å; T14-N18 PolarHBondContact O-ND2 3.33Å; R15-N18 PolarHBondContact O-N 3.22Å; N18-T20 VanDerWaalsContact C-N 3.33Å; N18-T20 PolarHBondContact O-N 3.45Å; N18-V21 PolarHBondContact O-N 3.2Å; N18-E22 WeakPolarHBondContact O-CG 3.49Å; N18-E22 PolarHBondContact O-N 3.05Å; N18-L112 HydrophobicContact CB-CD2 4.22Å; N18-L112 WeakPolarHBondContact OD1-CD2 3.22Å |
| 19 | E | 83.5 | Confident | 80.6 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.8 | -176 | 178.7 | -173.3 | 0 | 0 | 111.6 | R15 W17 V21 E22 L23 | R15-E19 WeakPolarHBondContact O-CB 3.46Å; R15-E19 PolarHBondContact O-N 3.36Å; W17-E19 PolarHBondContact O-N 3.08Å; E19-V21 PolarHBondContact O-N 3.26Å; E19-E22 PolarHBondContact O-N 3.41Å; E19-L23 HydrophobicContact CG-CD1 4.05Å; E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 WeakPolarHBondContact O-CG 3.34Å; E19-L23 PolarHBondContact O-N 3.2Å |
| 20 | T | 86.2 | Confident | 81.5 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.8 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | L16 W17 N18 F24 L53 L56 L57 L75 F79 | L16-T20 WeakPolarHBondContact O-CB 3.2Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 2.99Å; W17-T20 PolarHBondContact O-N 3.34Å; N18-T20 VanDerWaalsContact C-N 3.33Å; N18-T20 PolarHBondContact O-N 3.45Å; T20-F24 WeakPolarHBondContact O-CB 3.43Å; T20-F24 PolarHBondContact O-N 2.95Å; T20-L53 HydrophobicContact CG2-CD1 3.74Å; T20-L56 HydrophobicContact CG2-CD2 4.44Å; T20-L57 HydrophobicContact CG2-CD2 4.31Å; T20-L75 HydrophobicContact CG2-CD2 4.27Å; T20-F79 HydrophobicContact CG2-CZ 4.13Å |
| 21 | V | 85.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | W17 N18 E19 F24 R25 F79 V84 L112 | W17-V21 HydrophobicContact CZ2-CG2 4.39Å; W17-V21 WeakPolarHBondContact O-CG2 3Å; W17-V21 PolarHBondContact O-N 2.7Å; N18-V21 PolarHBondContact O-N 3.2Å; E19-V21 PolarHBondContact O-N 3.26Å; V21-F24 PolarHBondContact O-N 3.13Å; V21-R25 PolarHBondContact O-N 3.26Å; V21-F79 HydrophobicContact CG2-CD1 4.37Å; V21-F79 HydrophobicContact CG2-CE1 3.64Å; V21-F79 HydrophobicContact CG2-CE2 4.24Å; V21-F79 HydrophobicContact CG2-CZ 3.56Å; V21-V84 HydrophobicContact CG1-CG1 3.78Å; V21-V84 HydrophobicContact CG1-CG2 4.11Å; V21-V84 HydrophobicContact CG2-CG1 4.27Å; V21-V84 HydrophobicContact CG2-CG2 4.04Å; V21-L112 HydrophobicContact CB-CD1 3.98Å; V21-L112 HydrophobicContact CB-CG 4.38Å; V21-L112 HydrophobicContact CG1-CD1 3.59Å; V21-L112 HydrophobicContact CG1-CD2 4.29Å; V21-L112 HydrophobicContact CG1-CG 3.75Å |
| 22 | E | 84.6 | Confident | 83.2 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 176.8 | -75.4 | -168 | 175.1 | 0 | 0 | 111.6 | N18 E19 R25 A26 L112 | N18-E22 WeakPolarHBondContact O-CG 3.49Å; N18-E22 PolarHBondContact O-N 3.05Å; E19-E22 PolarHBondContact O-N 3.41Å; E22-R25 PolarHBondContact O-N 2.97Å; E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.03Å; E22-L112 HydrophobicContact CB-CD1 4.48Å; E22-L112 HydrophobicContact CG-CD1 3.43Å; E22-L112 VanDerWaalsContact CG-CD1 3.43Å |
| 23 | L | 84.1 | Confident | 83.4 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 178.3 | -71.5 | 171.7 | 0 | 0 | 0 | 111.7 | E19 A26 K27 W52 L56 | E19-L23 HydrophobicContact CG-CD1 4.05Å; E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 WeakPolarHBondContact O-CG 3.34Å; E19-L23 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.64Å; L23-K27 HydrophobicContact CD2-CD 4.48Å; L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 PolarHBondContact O-N 2.89Å; L23-W52 WeakPolarHBondContact O-CH2 3.37Å; L23-L56 HydrophobicContact CB-CD2 3.95Å; L23-L56 HydrophobicContact CD1-CD1 4.36Å; L23-L56 HydrophobicContact CD1-CD2 4.47Å |
| 24 | F | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 177.7 | -174 | -105.4 | 0 | 0 | 0 | 111.5 | T20 V21 A26 M28 F44 A49 W52 L53 L76 F79 I85 F106 | T20-F24 WeakPolarHBondContact O-CB 3.43Å; T20-F24 PolarHBondContact O-N 2.95Å; V21-F24 PolarHBondContact O-N 3.13Å; F24-A26 PolarHBondContact O-N 3.17Å; F24-M28 HydrophobicContact CD2-SD 4.33Å; F24-M28 HydrophobicContact CE2-CG 4.26Å; F24-M28 HydrophobicContact CE2-SD 3.64Å; F24-M28 HydrophobicContact CZ-CG 4.35Å; F24-M28 HydrophobicContact CZ-SD 4.13Å; F24-M28 WeakPolarHBondContact O-CB 3.37Å; F24-M28 PolarHBondContact O-N 3.23Å; F24-F44 HydrophobicContact CZ-CZ 4.47Å; F24-A49 HydrophobicContact CE2-CB 4.39Å; F24-A49 HydrophobicContact CZ-CB 4.04Å; F24-W52 HydrophobicContact CB-CZ3 4.1Å; F24-W52 AromaticContact CD2-CE3 3.57Å; F24-W52 HydrophobicContact CD2-CE3 3.57Å; F24-W52 AromaticContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CE2-CE3 4.04Å; F24-W52 HydrophobicContact CE2-CZ3 4.47Å; F24-W52 HydrophobicContact CG-CZ3 4.29Å; F24-L53 HydrophobicContact CD2-CB 4.16Å; F24-L53 HydrophobicContact CD2-CD1 3.92Å; F24-L53 HydrophobicContact CD2-CG 4.45Å; F24-L53 HydrophobicContact CE2-CB 4.06Å; F24-L76 HydrophobicContact CE1-CD2 4.33Å; F24-L76 HydrophobicContact CE2-CD2 4.33Å; F24-L76 HydrophobicContact CZ-CD2 3.86Å; F24-F79 HydrophobicContact CB-CE2 4.17Å; F24-F79 AromaticContact CD1-CD2 3.9Å; F24-F79 HydrophobicContact CD1-CD2 3.9Å; F24-F79 AromaticContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CE1-CD2 4.07Å; F24-F79 HydrophobicContact CE1-CE2 4.34Å; F24-F79 HydrophobicContact CG-CD2 4.49Å; F24-F79 AromaticContact CG-CE2 3.94Å; F24-F79 HydrophobicContact CG-CE2 3.94Å; F24-I85 HydrophobicContact CE1-CG2 3.73Å; F24-F106 AromaticContact CD1-CE1 3.6Å; F24-F106 HydrophobicContact CD1-CE1 3.6Å; F24-F106 AromaticContact CD1-CZ 3.82Å; F24-F106 HydrophobicContact CD1-CZ 3.82Å; F24-F106 AromaticContact CE1-CE1 3.46Å; F24-F106 HydrophobicContact CE1-CE1 3.46Å; F24-F106 VanDerWaalsContact CE1-CE1 3.46Å; F24-F106 AromaticContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CZ-CE1 4.49Å; F24-F106 HydrophobicContact CZ-CZ 4.31Å |
| 25 | R | 83.3 | Confident | 83 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 175.4 | -94.4 | -169.5 | 135.3 | 110.5 | -13.2 | 113.7 | V21 E22 V84 F106 P107 S109 | V21-R25 PolarHBondContact O-N 3.26Å; E22-R25 PolarHBondContact O-N 2.97Å; R25-V84 PolarHBondContact NH1-O 3.12Å; R25-F106 HydrophobicContact CG-CD1 3.74Å; R25-F106 HydrophobicContact CG-CE1 3.8Å; R25-F106 HydrophobicContact CG-CG 4.31Å; R25-F106 HydrophobicContact CG-CZ 4.44Å; R25-P107 PolarHBondContact NH2-O 3.3Å; R25-S109 PolarHBondContact NH2-O 3.16Å |
| 26 | A | 81.5 | Confident | 82.3 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -79.9 | -31.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E22 L23 F24 | E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.03Å; L23-A26 PolarHBondContact O-N 2.64Å; F24-A26 PolarHBondContact O-N 3.17Å |
| 27 | K | 85.1 | Confident | 81.6 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -121.4 | -5.1 | -168.6 | -64.8 | -172.8 | 178.5 | -178 | 0 | 114.9 | L23 W52 | L23-K27 HydrophobicContact CD2-CD 4.48Å; L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 PolarHBondContact O-N 2.89Å; K27-W52 HydrophobicContact CB-CH2 3.98Å; K27-W52 HydrophobicContact CB-CZ2 3.45Å; K27-W52 VanDerWaalsContact CB-CZ2 3.45Å; K27-W52 PolarHBondContact O-NE1 3.11Å |
| 28 | M | 87.5 | Confident | 81 | Confident | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.049 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -65.3 | 125.2 | 174.5 | -178.8 | 73.6 | -165.1 | 0 | 0 | 110 | F24 L30 F44 E48 A49 W52 F106 | F24-M28 HydrophobicContact CD2-SD 4.33Å; F24-M28 HydrophobicContact CE2-CG 4.26Å; F24-M28 HydrophobicContact CE2-SD 3.64Å; F24-M28 HydrophobicContact CZ-CG 4.35Å; F24-M28 HydrophobicContact CZ-SD 4.13Å; F24-M28 WeakPolarHBondContact O-CB 3.37Å; F24-M28 PolarHBondContact O-N 3.23Å; M28-L30 PolarHBondContact O-N 3.43Å; M28-F44 HydrophobicContact CE-CB 3.92Å; M28-F44 HydrophobicContact CE-CD2 4.12Å; M28-F44 HydrophobicContact CE-CG 3.98Å; M28-F44 HydrophobicContact CG-CD1 4.45Å; M28-E48 HydrophobicContact CE-CB 4.26Å; M28-A49 HydrophobicContact CE-CB 3.98Å; M28-W52 HydrophobicContact CE-CB 4.2Å; M28-W52 HydrophobicContact SD-CB 3.58Å; M28-W52 VanDerWaalsContact SD-CB 3.58Å; M28-W52 HydrophobicContact SD-CD2 3.81Å; M28-W52 HydrophobicContact SD-CE3 4.01Å; M28-W52 HydrophobicContact SD-CG 3.62Å; M28-F106 HydrophobicContact CB-CE2 4.01Å; M28-F106 HydrophobicContact CB-CZ 3.86Å; M28-F106 HydrophobicContact CG-CE2 4.16Å; M28-F106 HydrophobicContact CG-CZ 4.02Å |
| 29 | P | 82.4 | Confident | 80.8 | Confident | 60 Ų | 60 | 84.4 Ų | 84.4 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 121.5 | 179.5 | 27.4 | -33.4 | 0 | 0 | 0 | 110.6 | W52 | P29-W52 VanDerWaalsContact CD-CD1 3.46Š|
| 30 | L | 85.8 | Confident | 80.6 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 38% | 0.382 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 128.8 | 173.3 | -61.3 | -179 | 0 | 0 | 0 | 109.7 | M28 H42 F44 F106 | M28-L30 PolarHBondContact O-N 3.43Å; L30-H42 HydrophobicContact CD1-CB 4.23Å; L30-F44 HydrophobicContact CD2-CD1 3.54Å; L30-F44 HydrophobicContact CD2-CE1 4.11Å; L30-F106 HydrophobicContact CD1-CD2 4.26Å; L30-F106 HydrophobicContact CD2-CD2 3.81Å; L30-F106 HydrophobicContact CD2-CE2 3.72Å; L30-F106 HydrophobicContact CG-CE2 4.47Å |
| 31 | R | 83.4 | Confident | 80.3 | Confident | 145 Ų | 145 | 90.2 Ų | 90.2 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 169.2 | -177.1 | -70.7 | 178 | 175.7 | 170.2 | -3.6 | 111.1 | C43 E48 | R31-C43 PolarHBondContact N-O 3.4Å; R31-C43 PolarHBondContact O-N 3.1Å; R31-E48 IonicContact NH1-OE1 2.83Å; R31-E48 PolarHBondContact NH1-OE1 3.33Å |
| 32 | K | 83.1 | Confident | 80.2 | Confident | 132 Ų | 132 | 96.6 Ų | 96.6 | 57% | 0.574 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120 | 170.6 | -174.5 | 168.7 | -175.2 | 157.4 | 0 | 108.9 | Y40 E41 | K32-Y40 WeakPolarHBondContact CA-O 3.27Å; K32-E41 HydrophobicContact CD-CG 4.06Å; K32-E41 WeakPolarHBondContact CE-OE1 3.41Å; K32-E41 HydrophobicContact CG-CG 4.13Å; K32-E41 IonicContact NZ-OE1 2.73Å; K32-E41 PolarHBondContact NZ-OE1 3.35Å |
| 33 | H | 82.9 | Confident | 80.3 | Confident | 33 Ų | 33 | 92.2 Ų | 92.2 | 15% | 0.153 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.7 | 177.6 | -65.7 | -89.8 | 0 | 0 | 0 | 110.7 | Y40 C43 E48 L103 | H33-Y40 PolarHBondContact N-O 3.25Å; H33-Y40 PolarHBondContact O-N 2.99Å; H33-C43 PolarHBondContact CD2-O 3.44Å; H33-E48 IonicContact CE1-OE1 3.7Å; H33-E48 IonicContact CE1-OE2 2.71Å; H33-E48 PolarHBondContact CE1-OE2 3.44Å; H33-E48 IonicContact NE2-OE2 2.92Å; H33-E48 PolarHBondContact NE2-OE2 2.81Å; H33-L103 HydrophobicContact CB-CD1 4.08Å; H33-L103 HydrophobicContact CB-CD2 3.57Å |
| 34 | R | 74.4 | Confident | 80.6 | Confident | 184 Ų | 184 | 89.9 Ų | 89.9 | 69% | 0.694 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.8 | 173.4 | -171.2 | 175.9 | 179.2 | 174.8 | -0.5 | 109.3 | K38 | R34-K38 WeakPolarHBondContact CA-O 2.82Å |
| 35 | C | 72.3 | Confident | 80.7 | Confident | 51 Ų | 51 | 90.8 Ų | 90.8 | 35% | 0.345 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129.3 | 177 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | F37 K38 Y40 L103 | C35-F37 PolarHBondContact O-N 2.88Å; C35-K38 PolarHBondContact N-O 3.44Å; C35-K38 PolarHBondContact O-N 2.93Å; C35-K38 VanDerWaalsContact O-N 3.12Å; C35-K38 VanDerWaalsContact O-O 3.05Å; C35-Y40 HydrophobicContact CB-CE2 4.34Å; C35-L103 HydrophobicContact CB-CD1 3.65Å |
| 36 | R | 63.5 | Low | 81 | Confident | 222 Ų | 222 | 88.3 Ų | 88.3 | 84% | 0.838 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 56.5 | -180 | -60.3 | -177.2 | -178.3 | -168.7 | 0.1 | 113.5 | K38 | R36-K38 PolarHBondContact O-N 3.01Š|
| 37 | F | 67.8 | Low | 81.4 | Confident | 188 Ų | 188 | 85.6 Ų | 85.6 | 83% | 0.825 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 0.5 | 179.7 | -58.3 | -83.8 | 0 | 0 | 0 | 116.6 | C35 | C35-F37 PolarHBondContact O-N 2.88Š|
| 38 | K | 72 | Confident | 81.6 | Confident | 141 Ų | 141 | 82.2 Ų | 82.2 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.7 | 172.2 | -64.8 | -172.6 | 177.9 | -172.9 | 0 | 110.3 | R34 C35 R36 Y40 | R34-K38 WeakPolarHBondContact CA-O 2.82Å; C35-K38 PolarHBondContact N-O 3.44Å; C35-K38 PolarHBondContact O-N 2.93Å; C35-K38 VanDerWaalsContact O-N 3.12Å; C35-K38 VanDerWaalsContact O-O 3.05Å; R36-K38 PolarHBondContact O-N 3.01Å; K38-Y40 HydrophobicContact CB-CE2 3.96Å |
| 39 | S | 79.9 | Confident | 81.8 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.1 | 173.7 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 40 | Y | 80.8 | Confident | 82.2 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 29% | 0.286 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.6 | 177.5 | -61.2 | -86.3 | 0 | 0 | 0 | 109.5 | K32 H33 C35 K38 C43 I88 L103 | K32-Y40 WeakPolarHBondContact CA-O 3.27Å; H33-Y40 PolarHBondContact N-O 3.25Å; H33-Y40 PolarHBondContact O-N 2.99Å; C35-Y40 HydrophobicContact CB-CE2 4.34Å; K38-Y40 HydrophobicContact CB-CE2 3.96Å; Y40-C43 PolarHBondContact O-SG 3.04Å; Y40-C43 VanDerWaalsContact O-SG 3.34Å; Y40-I88 HydrophobicContact CD1-CD1 3.66Å; Y40-I88 HydrophobicContact CD1-CG1 3.66Å; Y40-I88 HydrophobicContact CD2-CD1 4.01Å; Y40-I88 HydrophobicContact CE1-CD1 4.32Å; Y40-I88 HydrophobicContact CE1-CG1 4.04Å; Y40-I88 HydrophobicContact CE1-CG2 4.19Å; Y40-I88 HydrophobicContact CG-CD1 3.47Å; Y40-I88 VanDerWaalsContact CG-CD1 3.47Å; Y40-I88 HydrophobicContact CG-CG1 4.04Å; Y40-L103 HydrophobicContact CD2-CD1 3.87Å; Y40-L103 HydrophobicContact CE2-CD1 4.45Å |
| 41 | E | 79.4 | Confident | 82.4 | Confident | 121 Ų | 121 | 79.1 Ų | 79.1 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 156 | 178.7 | -61 | -172.2 | 168 | 0 | 0 | 109.9 | K32 C43 | K32-E41 HydrophobicContact CD-CG 4.06Å; K32-E41 WeakPolarHBondContact CE-OE1 3.41Å; K32-E41 HydrophobicContact CG-CG 4.13Å; K32-E41 IonicContact NZ-OE1 2.73Å; K32-E41 PolarHBondContact NZ-OE1 3.35Å; E41-C43 VanDerWaalsContact C-N 3.32Å; E41-C43 PolarHBondContact O-N 3.49Å |
| 42 | H | 82.6 | Confident | 82.8 | Confident | 135 Ų | 135 | 75 Ų | 75 | 63% | 0.625 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56 | 38.5 | -178 | -53.8 | -72.4 | 0 | 0 | 0 | 115 | L30 | L30-H42 HydrophobicContact CD1-CB 4.23Å |
| 43 | C | 86.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 169 | 179.9 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | R31 H33 Y40 E41 I88 Y104 | R31-C43 PolarHBondContact N-O 3.4Å; R31-C43 PolarHBondContact O-N 3.1Å; H33-C43 PolarHBondContact CD2-O 3.44Å; Y40-C43 PolarHBondContact O-SG 3.04Å; Y40-C43 VanDerWaalsContact O-SG 3.34Å; E41-C43 VanDerWaalsContact C-N 3.32Å; E41-C43 PolarHBondContact O-N 3.49Å; C43-I88 HydrophobicContact CB-CD1 3.82Å; C43-Y104 WeakPolarHBondContact CA-O 3.43Å; C43-Y104 WeakPolarHBondContact CB-O 3.15Å |
| 44 | F | 90.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.3 | 176.7 | 53.2 | -92.1 | 0 | 0 | 0 | 110 | F24 M28 L30 A49 I85 L103 Y104 F106 | F24-F44 HydrophobicContact CZ-CZ 4.47Å; M28-F44 HydrophobicContact CE-CB 3.92Å; M28-F44 HydrophobicContact CE-CD2 4.12Å; M28-F44 HydrophobicContact CE-CG 3.98Å; M28-F44 HydrophobicContact CG-CD1 4.45Å; L30-F44 HydrophobicContact CD2-CD1 3.54Å; L30-F44 HydrophobicContact CD2-CE1 4.11Å; F44-A49 HydrophobicContact CD2-CB 3.65Å; F44-A49 HydrophobicContact CE2-CB 3.66Å; F44-I85 HydrophobicContact CZ-CB 4.48Å; F44-I85 HydrophobicContact CZ-CG2 3.87Å; F44-L103 WeakPolarHBondContact O-CA 3.43Å; F44-Y104 PolarHBondContact N-O 3.42Å; F44-Y104 PolarHBondContact O-N 2.9Å; F44-F106 HydrophobicContact CD1-CE2 4.26Å; F44-F106 HydrophobicContact CE1-CD1 4.43Å; F44-F106 AromaticContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CE1 4.18Å; F44-F106 AromaticContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CG 4.3Å; F44-F106 AromaticContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CZ-CE1 4.28Å; F44-F106 HydrophobicContact CZ-CE2 4.46Å; F44-F106 HydrophobicContact CZ-CZ 4.16Å |
| 45 | T | 90.3 | Very high | 84 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 153.3 | 171.2 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | A47 E48 A49 H102 L103 | T45-A47 PolarHBondContact O-N 3.01Å; T45-E48 WeakPolarHBondContact CB-OE2 3.46Å; T45-E48 PolarHBondContact N-OE2 3.37Å; T45-E48 PolarHBondContact O-N 2.87Å; T45-E48 WeakPolarHBondContact OG1-CB 3.35Å; T45-E48 VanDerWaalsContact OG1-CD 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.37Å; T45-E48 PolarHBondContact OG1-N 3.01Å; T45-E48 PolarHBondContact OG1-OE2 3.05Å; T45-A49 PolarHBondContact O-N 3.43Å; T45-H102 CarbonylContact C-O 3.24Å; T45-H102 WeakPolarHBondContact CA-O 3.19Å; T45-L103 HydrophobicContact CG2-CD2 3.74Å |
| 46 | A | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | E48 A49 V50 F97 E98 N100 H102 Y104 | A46-E48 PolarHBondContact O-N 3.3Å; A46-A49 PolarHBondContact O-N 3.36Å; A46-V50 VanDerWaalsContact O-CG2 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.43Å; A46-V50 PolarHBondContact O-N 3.29Å; A46-F97 HydrophobicContact CB-CE1 4.39Å; A46-F97 HydrophobicContact CB-CE2 3.64Å; A46-F97 HydrophobicContact CB-CZ 3.51Å; A46-E98 WeakPolarHBondContact CB-O 3.19Å; A46-N100 WeakPolarHBondContact CB-O 3.43Å; A46-H102 PolarHBondContact N-O 3.48Å; A46-Y104 HydrophobicContact CB-CD2 4.04Å; A46-Y104 HydrophobicContact CB-CE2 3.71Å |
| 47 | A | 88.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 54 Ų | 54 | 21% | 0.207 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | T45 A49 V50 D51 D99 N100 | T45-A47 PolarHBondContact O-N 3.01Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.3Å; A47-V50 PolarHBondContact O-N 3.02Å; A47-D51 VanDerWaalsContact O-CG 3.23Å; A47-D51 PolarHBondContact O-N 2.95Å; A47-D99 VanDerWaalsContact CA-OD1 3.29Å; A47-D99 WeakPolarHBondContact CA-OD1 3.23Å; A47-N100 PolarHBondContact N-O 2.92Å |
| 48 | E | 90.3 | Very high | 86.5 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.4 | -74.5 | 165.2 | 139.4 | 0 | 0 | 111.8 | M28 R31 H33 T45 A46 D51 W52 | M28-E48 HydrophobicContact CE-CB 4.26Å; R31-E48 IonicContact NH1-OE1 2.83Å; R31-E48 PolarHBondContact NH1-OE1 3.33Å; H33-E48 IonicContact CE1-OE1 3.7Å; H33-E48 IonicContact CE1-OE2 2.71Å; H33-E48 PolarHBondContact CE1-OE2 3.44Å; H33-E48 IonicContact NE2-OE2 2.92Å; H33-E48 PolarHBondContact NE2-OE2 2.81Å; T45-E48 WeakPolarHBondContact CB-OE2 3.46Å; T45-E48 PolarHBondContact N-OE2 3.37Å; T45-E48 PolarHBondContact O-N 2.87Å; T45-E48 WeakPolarHBondContact OG1-CB 3.35Å; T45-E48 VanDerWaalsContact OG1-CD 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.37Å; T45-E48 PolarHBondContact OG1-N 3.01Å; T45-E48 PolarHBondContact OG1-OE2 3.05Å; A46-E48 PolarHBondContact O-N 3.3Å; E48-D51 PolarHBondContact O-N 3.43Å; E48-W52 WeakPolarHBondContact O-CB 3.18Å; E48-W52 PolarHBondContact O-N 2.95Å |
| 49 | A | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F24 M28 F44 T45 A46 A47 L53 L76 | F24-A49 HydrophobicContact CE2-CB 4.39Å; F24-A49 HydrophobicContact CZ-CB 4.04Å; M28-A49 HydrophobicContact CE-CB 3.98Å; F44-A49 HydrophobicContact CD2-CB 3.65Å; F44-A49 HydrophobicContact CE2-CB 3.66Å; T45-A49 PolarHBondContact O-N 3.43Å; A46-A49 PolarHBondContact O-N 3.36Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.3Å; A49-L53 WeakPolarHBondContact O-CB 3.37Å; A49-L53 PolarHBondContact O-N 2.87Å; A49-L76 HydrophobicContact CB-CD1 4.27Å; A49-L76 HydrophobicContact CB-CD2 4.41Å |
| 50 | V | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -48.2 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | A46 A47 W52 H54 R69 T72 V73 L76 F97 D99 | A46-V50 VanDerWaalsContact O-CG2 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.43Å; A46-V50 PolarHBondContact O-N 3.29Å; A47-V50 PolarHBondContact O-N 3.02Å; V50-W52 PolarHBondContact O-N 3.47Å; V50-H54 WeakPolarHBondContact O-CB 3.23Å; V50-H54 PolarHBondContact O-N 3.33Å; V50-R69 HydrophobicContact CG1-CG 3.49Å; V50-R69 VanDerWaalsContact CG1-CG 3.49Å; V50-T72 HydrophobicContact CG1-CG2 4.44Å; V50-V73 HydrophobicContact CG1-CG2 4.15Å; V50-V73 HydrophobicContact CG2-CG2 3.81Å; V50-L76 HydrophobicContact CB-CD1 4.3Å; V50-L76 HydrophobicContact CG2-CD1 3.55Å; V50-F97 HydrophobicContact CG2-CE1 3.81Å; V50-F97 HydrophobicContact CG2-CZ 4.06Å; V50-D99 HydrophobicContact CG2-CB 4.34Å |
| 51 | D | 89.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57 | -49.8 | 179.5 | -70.1 | -24.6 | 0 | 0 | 0 | 111.4 | A47 E48 E55 R69 | A47-D51 VanDerWaalsContact O-CG 3.23Å; A47-D51 PolarHBondContact O-N 2.95Å; E48-D51 PolarHBondContact O-N 3.43Å; D51-E55 PolarHBondContact O-N 3.36Å; D51-E55 VanDerWaalsContact O-N 3.1Å; D51-R69 IonicContact OD1-CZ 3.33Å; D51-R69 IonicContact OD1-NH1 3.12Å; D51-R69 PolarHBondContact OD1-NH1 3.34Å; D51-R69 IonicContact OD1-NH2 3.13Å; D51-R69 PolarHBondContact OD1-NH2 3.49Å |
| 52 | W | 91.3 | Very high | 85.9 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -46.8 | -176.8 | -171.5 | 94.3 | 0 | 0 | 0 | 112.3 | L23 F24 K27 M28 P29 E48 V50 H54 E55 L56 | L23-W52 WeakPolarHBondContact O-CH2 3.37Å; F24-W52 HydrophobicContact CB-CZ3 4.1Å; F24-W52 AromaticContact CD2-CE3 3.57Å; F24-W52 HydrophobicContact CD2-CE3 3.57Å; F24-W52 AromaticContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CE2-CE3 4.04Å; F24-W52 HydrophobicContact CE2-CZ3 4.47Å; F24-W52 HydrophobicContact CG-CZ3 4.29Å; K27-W52 HydrophobicContact CB-CH2 3.98Å; K27-W52 HydrophobicContact CB-CZ2 3.45Å; K27-W52 VanDerWaalsContact CB-CZ2 3.45Å; K27-W52 PolarHBondContact O-NE1 3.11Å; M28-W52 HydrophobicContact CE-CB 4.2Å; M28-W52 HydrophobicContact SD-CB 3.58Å; M28-W52 VanDerWaalsContact SD-CB 3.58Å; M28-W52 HydrophobicContact SD-CD2 3.81Å; M28-W52 HydrophobicContact SD-CE3 4.01Å; M28-W52 HydrophobicContact SD-CG 3.62Å; P29-W52 VanDerWaalsContact CD-CD1 3.46Å; E48-W52 WeakPolarHBondContact O-CB 3.18Å; E48-W52 PolarHBondContact O-N 2.95Å; V50-W52 PolarHBondContact O-N 3.47Å; W52-H54 VanDerWaalsContact C-N 3.29Å; W52-H54 PolarHBondContact O-N 3.44Å; W52-E55 PolarHBondContact O-N 3.18Å; W52-L56 HydrophobicContact CE3-CB 4.42Å; W52-L56 HydrophobicContact CH2-CB 4.37Å; W52-L56 HydrophobicContact CH2-CD1 4.16Å; W52-L56 HydrophobicContact CH2-CD2 3.8Å; W52-L56 HydrophobicContact CH2-CG 4.33Å; W52-L56 HydrophobicContact CZ3-CB 4.06Å; W52-L56 HydrophobicContact CZ3-CD2 3.6Å; W52-L56 HydrophobicContact CZ3-CG 4.27Å; W52-L56 PolarHBondContact O-N 3.28Å |
| 53 | L | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -33.3 | -179.5 | -175.1 | 63 | 0 | 0 | 0 | 111.3 | T20 F24 A49 L56 L57 T72 L75 L76 F79 | T20-L53 HydrophobicContact CG2-CD1 3.74Å; F24-L53 HydrophobicContact CD2-CB 4.16Å; F24-L53 HydrophobicContact CD2-CD1 3.92Å; F24-L53 HydrophobicContact CD2-CG 4.45Å; F24-L53 HydrophobicContact CE2-CB 4.06Å; A49-L53 WeakPolarHBondContact O-CB 3.37Å; A49-L53 PolarHBondContact O-N 2.87Å; L53-L56 HydrophobicContact CD1-CD2 4.16Å; L53-L56 PolarHBondContact O-N 3.44Å; L53-L57 HydrophobicContact CD1-CG 4.43Å; L53-L57 HydrophobicContact CG-CD1 4.13Å; L53-L57 HydrophobicContact CG-CG 4.42Å; L53-L57 WeakPolarHBondContact O-CB 2.9Å; L53-L57 WeakPolarHBondContact O-CG 3.32Å; L53-L57 PolarHBondContact O-N 2.84Å; L53-T72 HydrophobicContact CB-CG2 3.77Å; L53-T72 HydrophobicContact CD2-CG2 3.86Å; L53-T72 HydrophobicContact CG-CG2 3.81Å; L53-L75 HydrophobicContact CD2-CD2 4.06Å; L53-L75 HydrophobicContact CD2-CG 4.39Å; L53-L76 HydrophobicContact CD2-CD1 4.15Å; L53-L76 HydrophobicContact CD2-CD2 3.82Å; L53-L76 HydrophobicContact CD2-CG 3.68Å; L53-F79 HydrophobicContact CD2-CE2 4.32Å |
| 54 | H | 89.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 175.4 | -173 | 67.6 | 0 | 0 | 0 | 111.1 | V50 W52 L56 L57 R58 V67 R69 T72 | V50-H54 WeakPolarHBondContact O-CB 3.23Å; V50-H54 PolarHBondContact O-N 3.33Å; W52-H54 VanDerWaalsContact C-N 3.29Å; W52-H54 PolarHBondContact O-N 3.44Å; H54-L56 PolarHBondContact O-N 3.05Å; H54-L57 PolarHBondContact O-N 3.46Å; H54-R58 WeakPolarHBondContact O-CG 3.42Å; H54-R58 PolarHBondContact O-N 3.31Å; H54-V67 PolarHBondContact CE1-O 3.43Å; H54-R69 PolarHBondContact CE1-N 3.04Å; H54-R69 VanDerWaalsContact CE1-N 3.3Å; H54-T72 HydrophobicContact CB-CG2 4.1Å; H54-T72 PolarHBondContact ND1-OG1 2.8Å; H54-T72 VanDerWaalsContact ND1-OG1 3.16Å |
| 55 | E | 87.3 | Confident | 83.7 | Confident | 115 Ų | 115 | 46.8 Ų | 46.8 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.4 | -167.8 | 59.8 | -149.7 | 0 | 0 | 111.7 | D51 W52 L57 R58 C59 | D51-E55 PolarHBondContact O-N 3.36Å; D51-E55 VanDerWaalsContact O-N 3.1Å; W52-E55 PolarHBondContact O-N 3.18Å; E55-L57 PolarHBondContact O-N 3.34Å; E55-R58 PolarHBondContact O-N 2.68Å; E55-C59 WeakPolarHBondContact O-CB 3.13Å; E55-C59 PolarHBondContact O-N 3.26Å; E55-C59 PolarHBondContact O-SG 3.37Å |
| 56 | L | 85.9 | Confident | 83 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 176.6 | -176.7 | 73.3 | 0 | 0 | 0 | 111.8 | T20 L23 W52 L53 H54 C59 S60 | T20-L56 HydrophobicContact CG2-CD2 4.44Å; L23-L56 HydrophobicContact CB-CD2 3.95Å; L23-L56 HydrophobicContact CD1-CD1 4.36Å; L23-L56 HydrophobicContact CD1-CD2 4.47Å; W52-L56 HydrophobicContact CE3-CB 4.42Å; W52-L56 HydrophobicContact CH2-CB 4.37Å; W52-L56 HydrophobicContact CH2-CD1 4.16Å; W52-L56 HydrophobicContact CH2-CD2 3.8Å; W52-L56 HydrophobicContact CH2-CG 4.33Å; W52-L56 HydrophobicContact CZ3-CB 4.06Å; W52-L56 HydrophobicContact CZ3-CD2 3.6Å; W52-L56 HydrophobicContact CZ3-CG 4.27Å; W52-L56 PolarHBondContact O-N 3.28Å; L53-L56 HydrophobicContact CD1-CD2 4.16Å; L53-L56 PolarHBondContact O-N 3.44Å; H54-L56 PolarHBondContact O-N 3.05Å; L56-C59 PolarHBondContact O-N 3.06Å; L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 3Å; L56-S60 VanDerWaalsContact O-N 3.11Å |
| 57 | L | 85.9 | Confident | 82.7 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | -178.9 | -69.8 | 171.1 | 0 | 0 | 0 | 111.3 | T20 L53 H54 E55 S60 F63 V67 T72 L75 | T20-L57 HydrophobicContact CG2-CD2 4.31Å; L53-L57 HydrophobicContact CD1-CG 4.43Å; L53-L57 HydrophobicContact CG-CD1 4.13Å; L53-L57 HydrophobicContact CG-CG 4.42Å; L53-L57 WeakPolarHBondContact O-CB 2.9Å; L53-L57 WeakPolarHBondContact O-CG 3.32Å; L53-L57 PolarHBondContact O-N 2.84Å; H54-L57 PolarHBondContact O-N 3.46Å; E55-L57 PolarHBondContact O-N 3.34Å; L57-S60 PolarHBondContact O-N 2.94Å; L57-S60 PolarHBondContact O-OG 3.17Å; L57-F63 HydrophobicContact CD2-CD1 4.3Å; L57-F63 HydrophobicContact CD2-CD2 4Å; L57-F63 HydrophobicContact CD2-CE1 4.34Å; L57-F63 HydrophobicContact CD2-CE2 4.01Å; L57-F63 HydrophobicContact CD2-CG 4.12Å; L57-F63 HydrophobicContact CD2-CZ 4.18Å; L57-V67 HydrophobicContact CB-CB 4.42Å; L57-V67 HydrophobicContact CB-CG1 4.15Å; L57-V67 HydrophobicContact CB-CG2 4.28Å; L57-V67 HydrophobicContact CD1-CG1 4.03Å; L57-T72 HydrophobicContact CD1-CG2 4.33Å; L57-L75 HydrophobicContact CD1-CD2 4.01Å; L57-L75 HydrophobicContact CD2-CD2 4.39Å |
| 58 | R | 83.5 | Confident | 82.6 | Confident | 117 Ų | 117 | 57.2 Ų | 57.2 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 176.9 | -68.1 | -172.7 | 94.6 | 162.9 | 6.5 | 113.2 | H54 E55 S60 P65 | H54-R58 WeakPolarHBondContact O-CG 3.42Å; H54-R58 PolarHBondContact O-N 3.31Å; E55-R58 PolarHBondContact O-N 2.68Å; R58-S60 PolarHBondContact O-N 3.2Å; R58-P65 PolarHBondContact NE-O 3.18Å; R58-P65 VanDerWaalsContact NE-O 3.13Å; R58-P65 PolarHBondContact NH2-O 2.91Å |
| 59 | C | 78.8 | Confident | 82.6 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.6 | -18.8 | 176.2 | -70.4 | 0 | 0 | 0 | 0 | 113 | E55 L56 | E55-C59 WeakPolarHBondContact O-CB 3.13Å; E55-C59 PolarHBondContact O-N 3.26Å; E55-C59 PolarHBondContact O-SG 3.37Å; L56-C59 PolarHBondContact O-N 3.06Å |
| 60 | S | 78.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | trans | -79.3 | 125.9 | -177.8 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | L56 L57 R58 N62 F63 G64 | L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 3Å; L56-S60 VanDerWaalsContact O-N 3.11Å; L57-S60 PolarHBondContact O-N 2.94Å; L57-S60 PolarHBondContact O-OG 3.17Å; R58-S60 PolarHBondContact O-N 3.2Å; S60-N62 PolarHBondContact O-N 3.49Å; S60-F63 PolarHBondContact O-N 3.16Å; S60-F63 WeakPolarHBondContact OG-CD2 3.47Å; S60-G64 PolarHBondContact O-N 3.06Å; S60-G64 VanDerWaalsContact O-N 3.11Å | ||
| 61 | Q | 68.9 | Low | 82.2 | Confident | 138 Ų | 138 | 72.1 Ų | 72.1 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.3 | -179.8 | -129.3 | 168.5 | 18.8 | 0 | 0 | 113.5 | ||
| 62 | N | 73.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -24.2 | -178.7 | -68.3 | -49.3 | 0 | 0 | 0 | 114.3 | V6 L16 S60 | V6-N62 PolarHBondContact N-OD1 3.37Å; L16-N62 HydrophobicContact CD2-CB 3.75Å; S60-N62 PolarHBondContact O-N 3.49Å |
| 63 | F | 73.6 | Confident | 82.2 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -28.3 | -177.1 | -65.8 | -92.6 | 0 | 0 | 0 | 112.7 | L16 L57 S60 V67 | L16-F63 HydrophobicContact CB-CE2 4.39Å; L16-F63 HydrophobicContact CB-CZ 4.04Å; L16-F63 HydrophobicContact CD1-CZ 4.39Å; L16-F63 HydrophobicContact CD2-CE2 4.13Å; L57-F63 HydrophobicContact CD2-CD1 4.3Å; L57-F63 HydrophobicContact CD2-CD2 4Å; L57-F63 HydrophobicContact CD2-CE1 4.34Å; L57-F63 HydrophobicContact CD2-CE2 4.01Å; L57-F63 HydrophobicContact CD2-CG 4.12Å; L57-F63 HydrophobicContact CD2-CZ 4.18Å; S60-F63 PolarHBondContact O-N 3.16Å; S60-F63 WeakPolarHBondContact OG-CD2 3.47Å; F63-V67 HydrophobicContact CB-CG2 3.88Å |
| 64 | G | 67.4 | Low | 82.2 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | 75.1 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S60 E66 | S60-G64 PolarHBondContact O-N 3.06Å; S60-G64 VanDerWaalsContact O-N 3.11Å; G64-E66 PolarHBondContact O-N 3.37Å | ||
| 65 | P | 72.1 | Confident | 82.2 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -1.4 | -175.3 | 30.1 | -35.4 | 0 | 0 | 0 | 114.8 | R58 | R58-P65 PolarHBondContact NE-O 3.18Å; R58-P65 VanDerWaalsContact NE-O 3.13Å; R58-P65 PolarHBondContact NH2-O 2.91Å |
| 66 | E | 75.4 | Confident | 82.4 | Confident | 174 Ų | 174 | 67.7 Ų | 67.7 | 81% | 0.813 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.9 | -176.9 | -62.8 | -167.5 | 162.1 | 0 | 0 | 114.4 | G64 T68 | G64-E66 PolarHBondContact O-N 3.37Å; E66-T68 PolarHBondContact O-N 2.96Å |
| 67 | V | 83.2 | Confident | 82.6 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | trans | -62 | 126.3 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | H54 L57 F63 Q71 | H54-V67 PolarHBondContact CE1-O 3.43Å; L57-V67 HydrophobicContact CB-CB 4.42Å; L57-V67 HydrophobicContact CB-CG1 4.15Å; L57-V67 HydrophobicContact CB-CG2 4.28Å; L57-V67 HydrophobicContact CD1-CG1 4.03Å; F63-V67 HydrophobicContact CB-CG2 3.88Å; V67-Q71 HydrophobicContact CG1-CB 4.41Å | ||
| 68 | T | 88 | Confident | 82.7 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | trans | -90 | 151.6 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | E66 K70 Q71 T72 | E66-T68 PolarHBondContact O-N 2.96Å; T68-K70 PolarHBondContact O-N 2.96Å; T68-Q71 WeakPolarHBondContact O-CB 3.41Å; T68-Q71 PolarHBondContact O-N 2.95Å; T68-Q71 VanDerWaalsContact OG1-CD 3.3Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.49Å; T68-Q71 PolarHBondContact OG1-N 3.22Å; T68-Q71 PolarHBondContact OG1-OE1 3.23Å; T68-T72 PolarHBondContact O-N 3.45Å; T68-T72 VanDerWaalsContact O-N 3.16Å; T68-T72 PolarHBondContact O-OG1 3.32Å | ||
| 69 | R | 89.2 | Confident | 83 | Confident | 91 Ų | 91 | 67.1 Ų | 67.1 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.7 | -34.9 | 175.9 | -167.5 | -178.6 | -177.1 | 96.7 | 5.9 | 112.4 | V50 D51 H54 Q71 T72 V73 D99 | V50-R69 HydrophobicContact CG1-CG 3.49Å; V50-R69 VanDerWaalsContact CG1-CG 3.49Å; D51-R69 IonicContact OD1-CZ 3.33Å; D51-R69 IonicContact OD1-NH1 3.12Å; D51-R69 PolarHBondContact OD1-NH1 3.34Å; D51-R69 IonicContact OD1-NH2 3.13Å; D51-R69 PolarHBondContact OD1-NH2 3.49Å; H54-R69 PolarHBondContact CE1-N 3.04Å; H54-R69 VanDerWaalsContact CE1-N 3.3Å; R69-Q71 PolarHBondContact O-N 2.89Å; R69-T72 WeakPolarHBondContact O-CB 3.41Å; R69-T72 PolarHBondContact O-N 2.68Å; R69-V73 WeakPolarHBondContact O-CG2 3.28Å; R69-V73 PolarHBondContact O-N 3.33Å; R69-D99 IonicContact CZ-OD2 3.14Å; R69-D99 IonicContact NE-OD2 2.8Å; R69-D99 PolarHBondContact NE-OD2 3.35Å; R69-D99 IonicContact NH2-OD1 2.69Å; R69-D99 PolarHBondContact NH2-OD1 3.5Å; R69-D99 IonicContact NH2-OD2 2.68Å; R69-D99 PolarHBondContact NH2-OD2 3.14Å; R69-D99 VanDerWaalsContact NH2-OD2 3.13Å |
| 70 | K | 87.4 | Confident | 83.4 | Confident | 172 Ų | 172 | 63.8 Ų | 63.8 | 75% | 0.748 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | 176 | -69.3 | -176.9 | 178.9 | 178.9 | 0 | 112.5 | T68 V73 Q74 | T68-K70 PolarHBondContact O-N 2.96Å; K70-V73 PolarHBondContact O-N 3.19Å; K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.47Å |
| 71 | Q | 87.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 174.8 | -72.2 | 162.3 | -39.9 | 0 | 0 | 111.6 | V67 T68 R69 V73 Q74 L75 | V67-Q71 HydrophobicContact CG1-CB 4.41Å; T68-Q71 WeakPolarHBondContact O-CB 3.41Å; T68-Q71 PolarHBondContact O-N 2.95Å; T68-Q71 VanDerWaalsContact OG1-CD 3.3Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.49Å; T68-Q71 PolarHBondContact OG1-N 3.22Å; T68-Q71 PolarHBondContact OG1-OE1 3.23Å; R69-Q71 PolarHBondContact O-N 2.89Å; Q71-V73 PolarHBondContact O-N 3.4Å; Q71-Q74 WeakPolarHBondContact O-CB 3.46Å; Q71-Q74 PolarHBondContact O-N 3.46Å; Q71-L75 PolarHBondContact O-N 3.47Å |
| 72 | T | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 172.5 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | V50 L53 H54 L57 T68 R69 Q74 L75 L76 | V50-T72 HydrophobicContact CG1-CG2 4.44Å; L53-T72 HydrophobicContact CB-CG2 3.77Å; L53-T72 HydrophobicContact CD2-CG2 3.86Å; L53-T72 HydrophobicContact CG-CG2 3.81Å; H54-T72 HydrophobicContact CB-CG2 4.1Å; H54-T72 PolarHBondContact ND1-OG1 2.8Å; H54-T72 VanDerWaalsContact ND1-OG1 3.16Å; L57-T72 HydrophobicContact CD1-CG2 4.33Å; T68-T72 PolarHBondContact O-N 3.45Å; T68-T72 VanDerWaalsContact O-N 3.16Å; T68-T72 PolarHBondContact O-OG1 3.32Å; R69-T72 WeakPolarHBondContact O-CB 3.41Å; R69-T72 PolarHBondContact O-N 2.68Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-Q74 PolarHBondContact O-N 3.42Å; T72-L75 WeakPolarHBondContact O-CB 3.32Å; T72-L75 PolarHBondContact O-N 3.49Å; T72-L76 HydrophobicContact CG2-CD1 4.35Å; T72-L76 PolarHBondContact O-N 3.26Å |
| 73 | V | 91.2 | Very high | 85.1 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.139 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | V50 R69 K70 Q71 L75 L76 K77 F97 D99 | V50-V73 HydrophobicContact CG1-CG2 4.15Å; V50-V73 HydrophobicContact CG2-CG2 3.81Å; R69-V73 WeakPolarHBondContact O-CG2 3.28Å; R69-V73 PolarHBondContact O-N 3.33Å; K70-V73 PolarHBondContact O-N 3.19Å; Q71-V73 PolarHBondContact O-N 3.4Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3Å; V73-L76 PolarHBondContact O-N 3.44Å; V73-K77 WeakPolarHBondContact O-CG 3.46Å; V73-K77 PolarHBondContact O-N 3.08Å; V73-F97 HydrophobicContact CG1-CD1 4.01Å; V73-F97 HydrophobicContact CG1-CE1 4.32Å; V73-D99 HydrophobicContact CG2-CB 4.08Å |
| 74 | Q | 88.8 | Confident | 85.7 | Confident | 126 Ų | 126 | 60.7 Ų | 60.7 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.2 | -37 | 175 | -72.2 | 177.6 | -13.1 | 0 | 0 | 112.4 | K70 Q71 T72 K77 K78 | K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.47Å; Q71-Q74 WeakPolarHBondContact O-CB 3.46Å; Q71-Q74 PolarHBondContact O-N 3.46Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-Q74 PolarHBondContact O-N 3.42Å; Q74-K77 WeakPolarHBondContact O-CB 3.22Å; Q74-K77 PolarHBondContact O-N 2.93Å; Q74-K78 PolarHBondContact O-N 2.93Å |
| 75 | L | 90.6 | Very high | 86.6 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.5 | -174.3 | 60.2 | 0 | 0 | 0 | 111.5 | W17 T20 L53 L57 Q71 T72 V73 K77 K78 F79 | W17-L75 HydrophobicContact CE3-CD1 3.84Å; W17-L75 HydrophobicContact CH2-CD1 4.44Å; W17-L75 HydrophobicContact CZ3-CD1 3.47Å; W17-L75 VanDerWaalsContact CZ3-CD1 3.47Å; T20-L75 HydrophobicContact CG2-CD2 4.27Å; L53-L75 HydrophobicContact CD2-CD2 4.06Å; L53-L75 HydrophobicContact CD2-CG 4.39Å; L57-L75 HydrophobicContact CD1-CD2 4.01Å; L57-L75 HydrophobicContact CD2-CD2 4.39Å; Q71-L75 PolarHBondContact O-N 3.47Å; T72-L75 WeakPolarHBondContact O-CB 3.32Å; T72-L75 PolarHBondContact O-N 3.49Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 2.96Å; L75-K78 CarbonylContact O-C 3.26Å; L75-K78 WeakPolarHBondContact O-CA 3.47Å; L75-K78 WeakPolarHBondContact O-CB 3.48Å; L75-K78 PolarHBondContact O-N 3.17Å; L75-F79 HydrophobicContact CD1-CD1 4.38Å; L75-F79 HydrophobicContact CD1-CE1 3.86Å; L75-F79 HydrophobicContact CD2-CE1 4.48Å; L75-F79 HydrophobicContact CD2-CZ 4.44Å; L75-F79 HydrophobicContact CG-CD1 4.35Å; L75-F79 HydrophobicContact CG-CE1 3.88Å; L75-F79 HydrophobicContact CG-CZ 4.25Å; L75-F79 WeakPolarHBondContact O-CD1 3.38Å; L75-F79 PolarHBondContact O-N 2.77Å |
| 76 | L | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -33.7 | 176.1 | -75.1 | 163.4 | 0 | 0 | 0 | 112.9 | F24 A49 V50 L53 T72 V73 K78 F79 L80 I85 F97 | F24-L76 HydrophobicContact CE1-CD2 4.33Å; F24-L76 HydrophobicContact CE2-CD2 4.33Å; F24-L76 HydrophobicContact CZ-CD2 3.86Å; A49-L76 HydrophobicContact CB-CD1 4.27Å; A49-L76 HydrophobicContact CB-CD2 4.41Å; V50-L76 HydrophobicContact CB-CD1 4.3Å; V50-L76 HydrophobicContact CG2-CD1 3.55Å; L53-L76 HydrophobicContact CD2-CD1 4.15Å; L53-L76 HydrophobicContact CD2-CD2 3.82Å; L53-L76 HydrophobicContact CD2-CG 3.68Å; T72-L76 HydrophobicContact CG2-CD1 4.35Å; T72-L76 PolarHBondContact O-N 3.26Å; V73-L76 PolarHBondContact O-N 3.44Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 3.46Å; L76-F79 HydrophobicContact CD2-CD2 4.01Å; L76-F79 WeakPolarHBondContact O-CB 3.37Å; L76-F79 PolarHBondContact O-N 2.97Å; L76-F79 VanDerWaalsContact O-N 3.08Å; L76-L80 PolarHBondContact O-N 3.45Å; L76-I85 HydrophobicContact CD2-CD1 4.24Å; L76-F97 HydrophobicContact CB-CD1 3.6Å; L76-F97 HydrophobicContact CB-CD2 4.42Å; L76-F97 HydrophobicContact CB-CE1 3.48Å; L76-F97 VanDerWaalsContact CB-CE1 3.48Å; L76-F97 HydrophobicContact CB-CE2 4.3Å; L76-F97 HydrophobicContact CB-CG 4.1Å; L76-F97 HydrophobicContact CB-CZ 3.86Å; L76-F97 HydrophobicContact CD1-CE1 3.65Å; L76-F97 HydrophobicContact CD1-CZ 3.68Å; L76-F97 HydrophobicContact CG-CE1 4.16Å; L76-F97 HydrophobicContact CG-CZ 4.25Å |
| 77 | K | 90.1 | Very high | 87.9 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 27% | 0.274 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57 | -41.8 | 167.9 | -75.7 | 179.8 | 173.2 | -159.2 | 0 | 111.7 | V73 Q74 L75 L80 K81 E95 F97 | V73-K77 WeakPolarHBondContact O-CG 3.46Å; V73-K77 PolarHBondContact O-N 3.08Å; Q74-K77 WeakPolarHBondContact O-CB 3.22Å; Q74-K77 PolarHBondContact O-N 2.93Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 2.96Å; K77-L80 PolarHBondContact O-N 2.99Å; K77-K81 PolarHBondContact O-N 3.32Å; K77-K81 VanDerWaalsContact O-N 3.08Å; K77-E95 HydrophobicContact CB-CB 4.17Å; K77-E95 VanDerWaalsContact CD-O 3.32Å; K77-E95 WeakPolarHBondContact CD-O 2.96Å; K77-E95 WeakPolarHBondContact CE-O 3.45Å; K77-F97 HydrophobicContact CB-CB 4.45Å; K77-F97 WeakPolarHBondContact CE-O 3.35Å; K77-F97 HydrophobicContact CG-CB 3.74Å |
| 78 | K | 88.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 49 Ų | 49 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.7 | -30.7 | 175 | -60.6 | -62 | -178.5 | -166.9 | 0 | 112.3 | W17 Q74 L75 L76 K81 N82 E95 | W17-K78 HydrophobicContact CH2-CB 3.53Å; W17-K78 HydrophobicContact CZ3-CB 3.77Å; Q74-K78 PolarHBondContact O-N 2.93Å; L75-K78 CarbonylContact O-C 3.26Å; L75-K78 WeakPolarHBondContact O-CA 3.47Å; L75-K78 WeakPolarHBondContact O-CB 3.48Å; L75-K78 PolarHBondContact O-N 3.17Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 3.46Å; K78-K81 PolarHBondContact O-N 3.39Å; K78-N82 WeakPolarHBondContact O-CB 3.44Å; K78-N82 PolarHBondContact O-N 2.68Å; K78-N82 PolarHBondContact O-ND2 2.8Å; K78-E95 IonicContact NZ-OE1 2.67Å; K78-E95 PolarHBondContact NZ-OE1 2.94Å; K78-E95 IonicContact NZ-OE2 2.99Å; K78-E95 PolarHBondContact NZ-OE2 3.34Å |
| 79 | F | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 173.9 | -78.7 | 18.2 | 0 | 0 | 0 | 111.2 | W17 T20 V21 F24 L53 L75 L76 N82 H83 V84 I85 | W17-F79 HydrophobicContact CD2-CE1 4.42Å; W17-F79 HydrophobicContact CE3-CE1 4.16Å; W17-F79 AromaticContact CH2-CD1 3.4Å; W17-F79 HydrophobicContact CH2-CD1 3.4Å; W17-F79 VanDerWaalsContact CH2-CD1 3.4Å; W17-F79 AromaticContact CH2-CE1 3.63Å; W17-F79 HydrophobicContact CH2-CE1 3.63Å; W17-F79 AromaticContact CZ2-CD1 3.76Å; W17-F79 HydrophobicContact CZ2-CD1 3.76Å; W17-F79 AromaticContact CZ2-CE1 3.87Å; W17-F79 HydrophobicContact CZ2-CE1 3.87Å; W17-F79 AromaticContact CZ3-CD1 3.96Å; W17-F79 HydrophobicContact CZ3-CD1 3.96Å; W17-F79 AromaticContact CZ3-CE1 3.8Å; W17-F79 HydrophobicContact CZ3-CE1 3.8Å; T20-F79 HydrophobicContact CG2-CZ 4.13Å; V21-F79 HydrophobicContact CG2-CD1 4.37Å; V21-F79 HydrophobicContact CG2-CE1 3.64Å; V21-F79 HydrophobicContact CG2-CE2 4.24Å; V21-F79 HydrophobicContact CG2-CZ 3.56Å; F24-F79 HydrophobicContact CB-CE2 4.17Å; F24-F79 AromaticContact CD1-CD2 3.9Å; F24-F79 HydrophobicContact CD1-CD2 3.9Å; F24-F79 AromaticContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CE1-CD2 4.07Å; F24-F79 HydrophobicContact CE1-CE2 4.34Å; F24-F79 HydrophobicContact CG-CD2 4.49Å; F24-F79 AromaticContact CG-CE2 3.94Å; F24-F79 HydrophobicContact CG-CE2 3.94Å; L53-F79 HydrophobicContact CD2-CE2 4.32Å; L75-F79 HydrophobicContact CD1-CD1 4.38Å; L75-F79 HydrophobicContact CD1-CE1 3.86Å; L75-F79 HydrophobicContact CD2-CE1 4.48Å; L75-F79 HydrophobicContact CD2-CZ 4.44Å; L75-F79 HydrophobicContact CG-CD1 4.35Å; L75-F79 HydrophobicContact CG-CE1 3.88Å; L75-F79 HydrophobicContact CG-CZ 4.25Å; L75-F79 WeakPolarHBondContact O-CD1 3.38Å; L75-F79 PolarHBondContact O-N 2.77Å; L76-F79 HydrophobicContact CD2-CD2 4.01Å; L76-F79 WeakPolarHBondContact O-CB 3.37Å; L76-F79 PolarHBondContact O-N 2.97Å; L76-F79 VanDerWaalsContact O-N 3.08Å; F79-N82 PolarHBondContact O-N 2.94Å; F79-H83 PolarHBondContact O-N 2.83Å; F79-V84 HydrophobicContact CB-CB 3.81Å; F79-V84 HydrophobicContact CB-CG1 4.19Å; F79-V84 HydrophobicContact CB-CG2 4.4Å; F79-V84 HydrophobicContact CD1-CG2 4.42Å; F79-V84 HydrophobicContact CD2-CB 4.29Å; F79-V84 HydrophobicContact CD2-CG1 3.74Å; F79-V84 HydrophobicContact CE2-CG1 4.25Å; F79-V84 HydrophobicContact CG-CB 3.99Å; F79-V84 HydrophobicContact CG-CG1 3.95Å; F79-V84 HydrophobicContact CG-CG2 4.33Å; F79-V84 WeakPolarHBondContact O-CB 3.48Å; F79-V84 PolarHBondContact O-N 2.95Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 4.09Å |
| 80 | L | 87.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 175.9 | -175.3 | 60.9 | 0 | 0 | 0 | 112.1 | L76 K77 I85 W92 G93 Q94 D96 F97 Y104 | L76-L80 PolarHBondContact O-N 3.45Å; K77-L80 PolarHBondContact O-N 2.99Å; L80-I85 HydrophobicContact CB-CD1 4.2Å; L80-I85 HydrophobicContact CB-CG1 3.99Å; L80-I85 HydrophobicContact CD1-CG1 4.18Å; L80-I85 WeakPolarHBondContact CD1-O 3.45Å; L80-W92 HydrophobicContact CD1-CB 4.36Å; L80-G93 PolarHBondContact O-N 2.86Å; L80-Q94 WeakPolarHBondContact CD2-O 3.4Å; L80-Q94 WeakPolarHBondContact CG-O 3.32Å; L80-D96 VanDerWaalsContact CD2-OD1 3.29Å; L80-D96 WeakPolarHBondContact CD2-OD1 3.45Å; L80-F97 HydrophobicContact CD2-CB 4.02Å; L80-Y104 HydrophobicContact CD1-CD1 4.41Å; L80-Y104 HydrophobicContact CD1-CE1 4.12Å; L80-Y104 HydrophobicContact CD2-CE1 4.18Å |
| 81 | K | 86.3 | Confident | 86.4 | Confident | 92 Ų | 92 | 48.6 Ų | 48.6 | 40% | 0.4 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.5 | -177.8 | 172.5 | -172.8 | 174.8 | 0 | 113.3 | K77 K78 H83 E95 | K77-K81 PolarHBondContact O-N 3.32Å; K77-K81 VanDerWaalsContact O-N 3.08Å; K78-K81 PolarHBondContact O-N 3.39Å; K81-H83 VanDerWaalsContact C-N 3.28Å; K81-H83 PolarHBondContact O-N 2.68Å; K81-E95 HydrophobicContact CB-CG 4.08Å; K81-E95 HydrophobicContact CD-CG 3.79Å; K81-E95 WeakPolarHBondContact CD-OE1 3.49Å; K81-E95 HydrophobicContact CG-CG 4.48Å; K81-E95 IonicContact NZ-OE1 3.55Å; K81-E95 PolarHBondContact NZ-OE1 2.88Å |
| 82 | N | 84.1 | Confident | 86.2 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 17.8 | -176.1 | -66.6 | -37.5 | 0 | 0 | 0 | 113.4 | W17 K78 F79 V84 P111 | W17-N82 HydrophobicContact CZ2-CB 4.25Å; W17-N82 WeakPolarHBondContact CZ2-ND2 3.39Å; K78-N82 WeakPolarHBondContact O-CB 3.44Å; K78-N82 PolarHBondContact O-N 2.68Å; K78-N82 PolarHBondContact O-ND2 2.8Å; F79-N82 PolarHBondContact O-N 2.94Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.35Å; N82-P111 WeakPolarHBondContact O-CB 3.33Å |
| 83 | H | 85.4 | Confident | 85.3 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 33.1 | 177.6 | -162.9 | -121.2 | 0 | 0 | 0 | 114.4 | F79 K81 E86 W92 P107 P111 | F79-H83 PolarHBondContact O-N 2.83Å; K81-H83 VanDerWaalsContact C-N 3.28Å; K81-H83 PolarHBondContact O-N 2.68Å; H83-E86 IonicContact NE2-OE2 3.6Å; H83-W92 HydrophobicContact CB-CD2 4.04Å; H83-W92 HydrophobicContact CB-CE3 3.74Å; H83-W92 HydrophobicContact CB-CH2 4.48Å; H83-W92 HydrophobicContact CB-CZ3 3.98Å; H83-W92 AromaticContact CD2-CD1 3.35Å; H83-W92 AromaticContact CD2-CD2 3.32Å; H83-W92 AromaticContact CD2-CE2 3.46Å; H83-W92 VanDerWaalsContact CD2-CE2 3.46Å; H83-W92 AromaticContact CD2-CE3 3.96Å; H83-W92 AromaticContact CD2-CG 3.27Å; H83-W92 AromaticContact CD2-NE1 3.45Å; H83-W92 PolarHBondContact CD2-NE1 3.24Å; H83-W92 AromaticContact CG-CD2 3.88Å; H83-W92 AromaticContact NE2-CD1 3.62Å; H83-W92 AromaticContact NE2-CE2 3.88Å; H83-W92 AromaticContact NE2-NE1 3.52Å; H83-P107 VanDerWaalsContact CE1-CB 3.44Å; H83-P107 WeakPolarHBondContact CE1-CB 3.47Å; H83-P111 WeakPolarHBondContact O-CD 3.29Å; H83-P111 WeakPolarHBondContact O-CG 3.49Å |
| 84 | V | 85.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -79 | -36.7 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | W17 V21 R25 F79 N82 P107 P111 | W17-V84 HydrophobicContact CZ2-CG2 4.44Å; V21-V84 HydrophobicContact CG1-CG1 3.78Å; V21-V84 HydrophobicContact CG1-CG2 4.11Å; V21-V84 HydrophobicContact CG2-CG1 4.27Å; V21-V84 HydrophobicContact CG2-CG2 4.04Å; R25-V84 PolarHBondContact NH1-O 3.12Å; F79-V84 HydrophobicContact CB-CB 3.81Å; F79-V84 HydrophobicContact CB-CG1 4.19Å; F79-V84 HydrophobicContact CB-CG2 4.4Å; F79-V84 HydrophobicContact CD1-CG2 4.42Å; F79-V84 HydrophobicContact CD2-CB 4.29Å; F79-V84 HydrophobicContact CD2-CG1 3.74Å; F79-V84 HydrophobicContact CE2-CG1 4.25Å; F79-V84 HydrophobicContact CG-CB 3.99Å; F79-V84 HydrophobicContact CG-CG1 3.95Å; F79-V84 HydrophobicContact CG-CG2 4.33Å; F79-V84 WeakPolarHBondContact O-CB 3.48Å; F79-V84 PolarHBondContact O-N 2.95Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.35Å; V84-P107 VanDerWaalsContact O-CD 3.32Å; V84-P107 WeakPolarHBondContact O-CD 3.44Å; V84-P111 HydrophobicContact CB-CG 4.24Å; V84-P111 HydrophobicContact CG2-CG 3.62Å |
| 85 | I | 87.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -128 | 153.2 | 174.1 | 60.8 | 178.5 | 0 | 0 | 0 | 108.9 | F24 F44 L76 F79 L80 F97 F106 | F24-I85 HydrophobicContact CE1-CG2 3.73Å; F44-I85 HydrophobicContact CZ-CB 4.48Å; F44-I85 HydrophobicContact CZ-CG2 3.87Å; L76-I85 HydrophobicContact CD2-CD1 4.24Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 4.09Å; L80-I85 HydrophobicContact CB-CD1 4.2Å; L80-I85 HydrophobicContact CB-CG1 3.99Å; L80-I85 HydrophobicContact CD1-CG1 4.18Å; L80-I85 WeakPolarHBondContact CD1-O 3.45Å; I85-F97 HydrophobicContact CD1-CD2 4.08Å; I85-F97 HydrophobicContact CD1-CE2 4.15Å; I85-F106 HydrophobicContact CG2-CD1 4.1Å; I85-F106 HydrophobicContact CG2-CE1 3.9Å |
| 86 | E | 88.1 | Confident | 83.8 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.7 | 173.3 | 61 | 176.9 | -164 | 0 | 0 | 110.7 | H83 W92 Y104 R105 P107 | H83-E86 IonicContact NE2-OE2 3.6Å; E86-W92 HydrophobicContact CB-CB 4.41Å; E86-Y104 WeakPolarHBondContact O-CA 3.48Å; E86-R105 HydrophobicContact CG-CG 3.69Å; E86-R105 PolarHBondContact N-O 3.07Å; E86-R105 PolarHBondContact O-N 3.41Å; E86-R105 IonicContact OE1-CZ 3.38Å; E86-R105 IonicContact OE1-NE 3.39Å; E86-R105 PolarHBondContact OE1-NE 3Å; E86-R105 IonicContact OE1-NH2 2.65Å; E86-R105 PolarHBondContact OE1-NH2 2.95Å; E86-P107 HydrophobicContact CB-CG 4.14Å; E86-P107 HydrophobicContact CG-CB 4.44Å; E86-P107 HydrophobicContact CG-CG 3.85Å |
| 87 | D | 86.8 | Confident | 83.8 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 152 | 167.4 | -175 | -31.8 | 0 | 0 | 0 | 109.2 | K89 G90 K91 H102 | D87-K89 PolarHBondContact O-N 3.18Å; D87-K89 PolarHBondContact OD1-N 3.5Å; D87-G90 WeakPolarHBondContact O-CA 3.49Å; D87-G90 PolarHBondContact O-N 3.41Å; D87-K91 HydrophobicContact CB-CB 4.02Å; D87-K91 WeakPolarHBondContact CB-O 3.42Å; D87-K91 PolarHBondContact N-O 3.36Å; D87-H102 VanDerWaalsContact CG-CE1 3.49Å; D87-H102 IonicContact OD1-CE1 2.62Å; D87-H102 PolarHBondContact OD1-CE1 3.1Å; D87-H102 IonicContact OD2-CE1 3.45Å; D87-H102 PolarHBondContact OD2-CE1 3.33Å; D87-H102 VanDerWaalsContact OD2-CE1 3.3Å; D87-H102 IonicContact OD2-NE2 2.79Å |
| 88 | I | 81.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -22.1 | 172.2 | -134.9 | 142 | 0 | 0 | 0 | 113.6 | Y40 C43 G90 L103 | Y40-I88 HydrophobicContact CD1-CD1 3.66Å; Y40-I88 HydrophobicContact CD1-CG1 3.66Å; Y40-I88 HydrophobicContact CD2-CD1 4.01Å; Y40-I88 HydrophobicContact CE1-CD1 4.32Å; Y40-I88 HydrophobicContact CE1-CG1 4.04Å; Y40-I88 HydrophobicContact CE1-CG2 4.19Å; Y40-I88 HydrophobicContact CG-CD1 3.47Å; Y40-I88 VanDerWaalsContact CG-CD1 3.47Å; Y40-I88 HydrophobicContact CG-CG1 4.04Å; C43-I88 HydrophobicContact CB-CD1 3.82Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-L103 HydrophobicContact CB-CB 4.43Å; I88-L103 HydrophobicContact CD1-CB 3.47Å; I88-L103 VanDerWaalsContact CD1-CB 3.47Å; I88-L103 HydrophobicContact CD1-CD1 3.79Å; I88-L103 HydrophobicContact CD1-CG 4.26Å; I88-L103 PolarHBondContact N-O 3.19Å |
| 89 | K | 78.1 | Confident | 83.6 | Confident | 151 Ų | 151 | 59.5 Ų | 59.5 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.1 | 172.9 | -64.1 | 179.7 | -178.6 | 174.2 | 0 | 114.3 | D87 | D87-K89 PolarHBondContact O-N 3.18Å; D87-K89 PolarHBondContact OD1-N 3.5Å |
| 90 | G | 77.1 | Confident | 83.5 | Confident | 29 Ų | 29 | 62 Ų | 62 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 75.8 | 19.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D87 I88 | D87-G90 WeakPolarHBondContact O-CA 3.49Å; D87-G90 PolarHBondContact O-N 3.41Å; I88-G90 VanDerWaalsContact C-N 3.35Å |
| 91 | K | 79.8 | Confident | 83.4 | Confident | 143 Ų | 143 | 72.6 Ų | 72.6 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | trans | -87.6 | 135.1 | 176.1 | -64.3 | -174.7 | 177.2 | -171.7 | 0 | 110.6 | D87 | D87-K91 HydrophobicContact CB-CB 4.02Å; D87-K91 WeakPolarHBondContact CB-O 3.42Å; D87-K91 PolarHBondContact N-O 3.36Å | ||
| 92 | W | 81.8 | Confident | 83.5 | Confident | 140 Ų | 140 | 71.8 Ų | 71.8 | 53% | 0.53 | 34% | 0.343 | S | S | . | . | trans | -154.9 | 172.5 | 178.3 | 61.5 | -91.9 | 0 | 0 | 0 | 110.4 | L80 H83 E86 | L80-W92 HydrophobicContact CD1-CB 4.36Å; H83-W92 HydrophobicContact CB-CD2 4.04Å; H83-W92 HydrophobicContact CB-CE3 3.74Å; H83-W92 HydrophobicContact CB-CH2 4.48Å; H83-W92 HydrophobicContact CB-CZ3 3.98Å; H83-W92 AromaticContact CD2-CD1 3.35Å; H83-W92 AromaticContact CD2-CD2 3.32Å; H83-W92 AromaticContact CD2-CE2 3.46Å; H83-W92 VanDerWaalsContact CD2-CE2 3.46Å; H83-W92 AromaticContact CD2-CE3 3.96Å; H83-W92 AromaticContact CD2-CG 3.27Å; H83-W92 AromaticContact CD2-NE1 3.45Å; H83-W92 PolarHBondContact CD2-NE1 3.24Å; H83-W92 AromaticContact CG-CD2 3.88Å; H83-W92 AromaticContact NE2-CD1 3.62Å; H83-W92 AromaticContact NE2-CE2 3.88Å; H83-W92 AromaticContact NE2-NE1 3.52Å; E86-W92 HydrophobicContact CB-CB 4.41Å | ||
| 93 | G | 71.6 | Confident | 83.7 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 96.5 | -12.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L80 | L80-G93 PolarHBondContact O-N 2.86Š|
| 94 | Q | 75.9 | Confident | 83.8 | Confident | 132 Ų | 132 | 67.4 Ų | 67.4 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -97.5 | 152.9 | 172 | -61.7 | -169.1 | 3.2 | 0 | 0 | 111 | L80 D96 | L80-Q94 WeakPolarHBondContact CD2-O 3.4Å; L80-Q94 WeakPolarHBondContact CG-O 3.32Å; Q94-D96 VanDerWaalsContact C-N 3.28Å; Q94-D96 HydrophobicContact CB-CB 4.45Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.31Å; Q94-D96 PolarHBondContact O-N 2.92Å |
| 95 | E | 82.8 | Confident | 83.9 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | trans | -96.1 | 35.7 | 177.3 | -64.9 | -172.4 | -159.5 | 0 | 0 | 111.4 | K77 K78 K81 F97 | K77-E95 HydrophobicContact CB-CB 4.17Å; K77-E95 VanDerWaalsContact CD-O 3.32Å; K77-E95 WeakPolarHBondContact CD-O 2.96Å; K77-E95 WeakPolarHBondContact CE-O 3.45Å; K78-E95 IonicContact NZ-OE1 2.67Å; K78-E95 PolarHBondContact NZ-OE1 2.94Å; K78-E95 IonicContact NZ-OE2 2.99Å; K78-E95 PolarHBondContact NZ-OE2 3.34Å; K81-E95 HydrophobicContact CB-CG 4.08Å; K81-E95 HydrophobicContact CD-CG 3.79Å; K81-E95 WeakPolarHBondContact CD-OE1 3.49Å; K81-E95 HydrophobicContact CG-CG 4.48Å; K81-E95 IonicContact NZ-OE1 3.55Å; K81-E95 PolarHBondContact NZ-OE1 2.88Å; E95-F97 VanDerWaalsContact C-N 3.32Å | ||
| 96 | D | 82.2 | Confident | 83.9 | Confident | 91 Ų | 91 | 73.6 Ų | 73.6 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | trans | -90.1 | 12.7 | -175.7 | 63.9 | -29.8 | 0 | 0 | 0 | 113.7 | L80 Q94 E98 | L80-D96 VanDerWaalsContact CD2-OD1 3.29Å; L80-D96 WeakPolarHBondContact CD2-OD1 3.45Å; Q94-D96 VanDerWaalsContact C-N 3.28Å; Q94-D96 HydrophobicContact CB-CB 4.45Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.31Å; Q94-D96 PolarHBondContact O-N 2.92Å; D96-E98 PolarHBondContact O-N 3.37Å | ||
| 97 | F | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -65.4 | 129.5 | 177.1 | -178.5 | -86.2 | 0 | 0 | 0 | 112 | A46 V50 V73 L76 K77 L80 I85 E95 Y104 | A46-F97 HydrophobicContact CB-CE1 4.39Å; A46-F97 HydrophobicContact CB-CE2 3.64Å; A46-F97 HydrophobicContact CB-CZ 3.51Å; V50-F97 HydrophobicContact CG2-CE1 3.81Å; V50-F97 HydrophobicContact CG2-CZ 4.06Å; V73-F97 HydrophobicContact CG1-CD1 4.01Å; V73-F97 HydrophobicContact CG1-CE1 4.32Å; L76-F97 HydrophobicContact CB-CD1 3.6Å; L76-F97 HydrophobicContact CB-CD2 4.42Å; L76-F97 HydrophobicContact CB-CE1 3.48Å; L76-F97 VanDerWaalsContact CB-CE1 3.48Å; L76-F97 HydrophobicContact CB-CE2 4.3Å; L76-F97 HydrophobicContact CB-CG 4.1Å; L76-F97 HydrophobicContact CB-CZ 3.86Å; L76-F97 HydrophobicContact CD1-CE1 3.65Å; L76-F97 HydrophobicContact CD1-CZ 3.68Å; L76-F97 HydrophobicContact CG-CE1 4.16Å; L76-F97 HydrophobicContact CG-CZ 4.25Å; K77-F97 HydrophobicContact CB-CB 4.45Å; K77-F97 WeakPolarHBondContact CE-O 3.35Å; K77-F97 HydrophobicContact CG-CB 3.74Å; L80-F97 HydrophobicContact CD2-CB 4.02Å; I85-F97 HydrophobicContact CD1-CD2 4.08Å; I85-F97 HydrophobicContact CD1-CE2 4.15Å; E95-F97 VanDerWaalsContact C-N 3.32Å; F97-Y104 HydrophobicContact CD2-CD2 4.46Å; F97-Y104 HydrophobicContact CD2-CE1 4.03Å; F97-Y104 AromaticContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CE2 3.87Å; F97-Y104 AromaticContact CD2-CZ 3.62Å; F97-Y104 HydrophobicContact CE2-CD2 4.02Å; F97-Y104 HydrophobicContact CE2-CE1 4.5Å; F97-Y104 AromaticContact CE2-CE2 3.73Å; F97-Y104 HydrophobicContact CE2-CE2 3.73Å; F97-Y104 AromaticContact CE2-CZ 3.98Å | ||
| 98 | E | 86.8 | Confident | 82.7 | Confident | 121 Ų | 121 | 78.4 Ų | 78.4 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | trans | -132 | 151.6 | 178.5 | -67.9 | -177.1 | 171.9 | 0 | 0 | 111.2 | A46 D96 N100 | A46-E98 WeakPolarHBondContact CB-O 3.19Å; D96-E98 PolarHBondContact O-N 3.37Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.98Å; E98-N100 PolarHBondContact O-OD1 3.49Å | ||
| 99 | D | 88.4 | Confident | 81.7 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -74.4 | 82.5 | 177.2 | -170.5 | 2.4 | 0 | 0 | 0 | 110.5 | A47 V50 R69 V73 | A47-D99 VanDerWaalsContact CA-OD1 3.29Å; A47-D99 WeakPolarHBondContact CA-OD1 3.23Å; V50-D99 HydrophobicContact CG2-CB 4.34Å; R69-D99 IonicContact CZ-OD2 3.14Å; R69-D99 IonicContact NE-OD2 2.8Å; R69-D99 PolarHBondContact NE-OD2 3.35Å; R69-D99 IonicContact NH2-OD1 2.69Å; R69-D99 PolarHBondContact NH2-OD1 3.5Å; R69-D99 IonicContact NH2-OD2 2.68Å; R69-D99 PolarHBondContact NH2-OD2 3.14Å; R69-D99 VanDerWaalsContact NH2-OD2 3.13Å; V73-D99 HydrophobicContact CG2-CB 4.08Å |
| 100 | N | 87.6 | Confident | 80.7 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -140 | -171.5 | -175.3 | 65.5 | 22.9 | 0 | 0 | 0 | 111.3 | A46 A47 E98 H102 | A46-N100 WeakPolarHBondContact CB-O 3.43Å; A47-N100 PolarHBondContact N-O 2.92Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.98Å; E98-N100 PolarHBondContact O-OD1 3.49Å; N100-H102 VanDerWaalsContact C-N 3.29Å; N100-H102 PolarHBondContact O-N 3.43Å; N100-H102 WeakPolarHBondContact OD1-CA 3.29Å; N100-H102 WeakPolarHBondContact OD1-CB 3.38Å; N100-H102 PolarHBondContact OD1-N 3.14Å |
| 101 | R | 85.7 | Confident | 79.7 | Confident | 226 Ų | 226 | 77.3 Ų | 77.3 | 85% | 0.853 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -90.6 | 16.6 | 177.4 | -62.1 | -173.7 | -179.1 | -172.8 | 0.9 | 113.5 | ||
| 102 | H | 87.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | trans | -67.1 | 140.5 | 175.1 | -158.6 | -46.5 | 0 | 0 | 0 | 109.5 | T45 A46 D87 N100 Y104 | T45-H102 CarbonylContact C-O 3.24Å; T45-H102 WeakPolarHBondContact CA-O 3.19Å; A46-H102 PolarHBondContact N-O 3.48Å; D87-H102 VanDerWaalsContact CG-CE1 3.49Å; D87-H102 IonicContact OD1-CE1 2.62Å; D87-H102 PolarHBondContact OD1-CE1 3.1Å; D87-H102 IonicContact OD2-CE1 3.45Å; D87-H102 PolarHBondContact OD2-CE1 3.33Å; D87-H102 VanDerWaalsContact OD2-CE1 3.3Å; D87-H102 IonicContact OD2-NE2 2.79Å; N100-H102 VanDerWaalsContact C-N 3.29Å; N100-H102 PolarHBondContact O-N 3.43Å; N100-H102 WeakPolarHBondContact OD1-CA 3.29Å; N100-H102 WeakPolarHBondContact OD1-CB 3.38Å; N100-H102 PolarHBondContact OD1-N 3.14Å; H102-Y104 HydrophobicContact CB-CE2 3.89Å | ||
| 103 | L | 88.2 | Confident | 76.5 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.6 | -179.1 | -60 | 174.7 | 0 | 0 | 0 | 111 | H33 C35 Y40 F44 T45 I88 | H33-L103 HydrophobicContact CB-CD1 4.08Å; H33-L103 HydrophobicContact CB-CD2 3.57Å; C35-L103 HydrophobicContact CB-CD1 3.65Å; Y40-L103 HydrophobicContact CD2-CD1 3.87Å; Y40-L103 HydrophobicContact CE2-CD1 4.45Å; F44-L103 WeakPolarHBondContact O-CA 3.43Å; T45-L103 HydrophobicContact CG2-CD2 3.74Å; I88-L103 HydrophobicContact CB-CB 4.43Å; I88-L103 HydrophobicContact CD1-CB 3.47Å; I88-L103 VanDerWaalsContact CD1-CB 3.47Å; I88-L103 HydrophobicContact CD1-CD1 3.79Å; I88-L103 HydrophobicContact CD1-CG 4.26Å; I88-L103 PolarHBondContact N-O 3.19Å |
| 104 | Y | 88.4 | Confident | 75 | Confident | 9 Ų | 9 | 78 Ų | 78 | 4% | 0.035 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 158.8 | 175.3 | -67.1 | -90.5 | 0 | 0 | 0 | 109.5 | C43 F44 A46 L80 E86 F97 H102 | C43-Y104 WeakPolarHBondContact CA-O 3.43Å; C43-Y104 WeakPolarHBondContact CB-O 3.15Å; F44-Y104 PolarHBondContact N-O 3.42Å; F44-Y104 PolarHBondContact O-N 2.9Å; A46-Y104 HydrophobicContact CB-CD2 4.04Å; A46-Y104 HydrophobicContact CB-CE2 3.71Å; L80-Y104 HydrophobicContact CD1-CD1 4.41Å; L80-Y104 HydrophobicContact CD1-CE1 4.12Å; L80-Y104 HydrophobicContact CD2-CE1 4.18Å; E86-Y104 WeakPolarHBondContact O-CA 3.48Å; F97-Y104 HydrophobicContact CD2-CD2 4.46Å; F97-Y104 HydrophobicContact CD2-CE1 4.03Å; F97-Y104 AromaticContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CE2 3.87Å; F97-Y104 AromaticContact CD2-CZ 3.62Å; F97-Y104 HydrophobicContact CE2-CD2 4.02Å; F97-Y104 HydrophobicContact CE2-CE1 4.5Å; F97-Y104 AromaticContact CE2-CE2 3.73Å; F97-Y104 HydrophobicContact CE2-CE2 3.73Å; F97-Y104 AromaticContact CE2-CZ 3.98Å; H102-Y104 HydrophobicContact CB-CE2 3.89Å |
| 105 | R | 88 | Confident | 73.1 | Confident | 101 Ų | 101 | 81.1 Ų | 81.1 | 38% | 0.381 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 162.1 | 174.8 | 68.1 | -178 | -170.7 | 176.3 | 7.5 | 110.3 | E86 | E86-R105 HydrophobicContact CG-CG 3.69Å; E86-R105 PolarHBondContact N-O 3.07Å; E86-R105 PolarHBondContact O-N 3.41Å; E86-R105 IonicContact OE1-CZ 3.38Å; E86-R105 IonicContact OE1-NE 3.39Å; E86-R105 PolarHBondContact OE1-NE 3Å; E86-R105 IonicContact OE1-NH2 2.65Å; E86-R105 PolarHBondContact OE1-NH2 2.95Å |
| 106 | F | 87.4 | Confident | 70.7 | Confident | 31 Ų | 31 | 83.5 Ų | 83.5 | 14% | 0.136 | 42% | 0.424 | C | S | . | . | trans | -79.9 | 135.1 | 169.8 | -67.5 | -64.3 | 0 | 0 | 0 | 109.7 | F24 R25 M28 L30 F44 I85 | F24-F106 AromaticContact CD1-CE1 3.6Å; F24-F106 HydrophobicContact CD1-CE1 3.6Å; F24-F106 AromaticContact CD1-CZ 3.82Å; F24-F106 HydrophobicContact CD1-CZ 3.82Å; F24-F106 AromaticContact CE1-CE1 3.46Å; F24-F106 HydrophobicContact CE1-CE1 3.46Å; F24-F106 VanDerWaalsContact CE1-CE1 3.46Å; F24-F106 AromaticContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CZ-CE1 4.49Å; F24-F106 HydrophobicContact CZ-CZ 4.31Å; R25-F106 HydrophobicContact CG-CD1 3.74Å; R25-F106 HydrophobicContact CG-CE1 3.8Å; R25-F106 HydrophobicContact CG-CG 4.31Å; R25-F106 HydrophobicContact CG-CZ 4.44Å; M28-F106 HydrophobicContact CB-CE2 4.01Å; M28-F106 HydrophobicContact CB-CZ 3.86Å; M28-F106 HydrophobicContact CG-CE2 4.16Å; M28-F106 HydrophobicContact CG-CZ 4.02Å; L30-F106 HydrophobicContact CD1-CD2 4.26Å; L30-F106 HydrophobicContact CD2-CD2 3.81Å; L30-F106 HydrophobicContact CD2-CE2 3.72Å; L30-F106 HydrophobicContact CG-CE2 4.47Å; F44-F106 HydrophobicContact CD1-CE2 4.26Å; F44-F106 HydrophobicContact CE1-CD1 4.43Å; F44-F106 AromaticContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CE1 4.18Å; F44-F106 AromaticContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CG 4.3Å; F44-F106 AromaticContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CZ-CE1 4.28Å; F44-F106 HydrophobicContact CZ-CE2 4.46Å; F44-F106 HydrophobicContact CZ-CZ 4.16Å; I85-F106 HydrophobicContact CG2-CD1 4.1Å; I85-F106 HydrophobicContact CG2-CE1 3.9Å | ||
| 107 | P | 81.9 | Confident | 68.3 | Low | 5 Ų | 5 | 87 Ų | 87 | 3% | 0.032 | 44% | 0.435 | C | S | . | . | trans | -59.8 | 152.2 | 171.1 | -21.3 | 30.6 | 0 | 0 | 0 | 111.4 | R25 H83 V84 E86 S109 | R25-P107 PolarHBondContact NH2-O 3.3Å; H83-P107 VanDerWaalsContact CE1-CB 3.44Å; H83-P107 WeakPolarHBondContact CE1-CB 3.47Å; V84-P107 VanDerWaalsContact O-CD 3.32Å; V84-P107 WeakPolarHBondContact O-CD 3.44Å; E86-P107 HydrophobicContact CB-CG 4.14Å; E86-P107 HydrophobicContact CG-CB 4.44Å; E86-P107 HydrophobicContact CG-CG 3.85Å; P107-S109 PolarHBondContact O-N 3.38Å | ||
| 108 | P | 68.1 | Low | 65.5 | Low | 128 Ų | 128 | 95.9 Ų | 95.9 | 83% | 0.831 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -63.6 | -26.1 | 177.3 | 23.5 | -31.7 | 0 | 0 | 0 | 112.6 | ||
| 109 | S | 60 | Low | 62.8 | Low | 77 Ų | 77 | 95 Ų | 95 | 54% | 0.538 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -108.5 | 131.4 | 176.1 | 29.7 | 0 | 0 | 0 | 0 | 111.5 | R25 P107 | R25-S109 PolarHBondContact NH2-O 3.16Å; P107-S109 PolarHBondContact O-N 3.38Å |
| 110 | S | 56.6 | Low | 60.2 | Low | 54 Ų | 54 | 97.7 Ų | 97.7 | 38% | 0.378 | 50% | 0.5 | S | S | . | . | trans | -76.8 | 133.9 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 111 | L112 | S110-L112 PolarHBondContact O-N 2.82Å; S110-L112 PolarHBondContact OG-N 3.33Å | ||
| 111 | P | 56.3 | Low | 57.9 | Low | 53 Ų | 53 | 103.8 Ų | 103.8 | 34% | 0.344 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -74.1 | -15.5 | 174.2 | 34.5 | -36.5 | 0 | 0 | 0 | 111.7 | N82 H83 V84 K113 | N82-P111 WeakPolarHBondContact O-CB 3.33Å; H83-P111 WeakPolarHBondContact O-CD 3.29Å; H83-P111 WeakPolarHBondContact O-CG 3.49Å; V84-P111 HydrophobicContact CB-CG 4.24Å; V84-P111 HydrophobicContact CG2-CG 3.62Å; P111-K113 PolarHBondContact O-N 3.19Å; P111-K113 VanDerWaalsContact O-N 3.13Å |
| 112 | L | 50.2 | Low | 55.6 | Low | 25 Ų | 25 | 101 Ų | 101 | 13% | 0.131 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -70.3 | 107.3 | 160.7 | -60.2 | -179.8 | 0 | 0 | 0 | 105.8 | N18 V21 E22 S110 P114 | N18-L112 HydrophobicContact CB-CD2 4.22Å; N18-L112 WeakPolarHBondContact OD1-CD2 3.22Å; V21-L112 HydrophobicContact CB-CD1 3.98Å; V21-L112 HydrophobicContact CB-CG 4.38Å; V21-L112 HydrophobicContact CG1-CD1 3.59Å; V21-L112 HydrophobicContact CG1-CD2 4.29Å; V21-L112 HydrophobicContact CG1-CG 3.75Å; E22-L112 HydrophobicContact CB-CD1 4.48Å; E22-L112 HydrophobicContact CG-CD1 3.43Å; E22-L112 VanDerWaalsContact CG-CD1 3.43Å; S110-L112 PolarHBondContact O-N 2.82Å; S110-L112 PolarHBondContact OG-N 3.33Å; L112-P114 VanDerWaalsContact O-CD 3.26Å; L112-P114 WeakPolarHBondContact O-CD 3.28Å |
| 113 | K | 45.6 | Very low | 53.1 | Low | 190 Ų | 190 | 104.1 Ų | 104.1 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | trans | -44.1 | 116.6 | 160.3 | -84.7 | -176.5 | 176.7 | -179.8 | 0 | 105.5 | P111 Y115 | P111-K113 PolarHBondContact O-N 3.19Å; P111-K113 VanDerWaalsContact O-N 3.13Å; K113-Y115 PolarHBondContact O-N 3.12Å | ||
| 114 | P | 38.4 | Very low | 50.6 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 75% | 0.747 | 56% | 0.56 | S | S | * | * | trans | -55.6 | 116.1 | 175.9 | 14.1 | -20.5 | 0 | 0 | 0 | 105.9 | L112 | L112-P114 VanDerWaalsContact O-CD 3.26Å; L112-P114 WeakPolarHBondContact O-CD 3.28Å | ||
| 115 | Y | 36.8 | Very low | 48.1 | Very low | 199 Ų | 199 | 113.9 Ų | 113.9 | 78% | 0.78 | 59% | 0.585 | S | S | * | * | trans | -51.4 | 133.1 | 152.7 | -103.5 | -93.5 | 0 | 0 | 0 | 104.7 | K113 K117 | K113-Y115 PolarHBondContact O-N 3.12Å; Y115-K117 PolarHBondContact O-N 3.34Å | ||
| 116 | P | 32.8 | Very low | 45.7 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 77% | 0.773 | 60% | 0.599 | S | S | * | * | trans | -60 | 90.8 | -176.8 | 23 | -31.7 | 0 | 0 | 0 | 108.5 | K118 | P116-K118 VanDerWaalsContact C-N 3.29Å; P116-K118 PolarHBondContact O-N 3.48Å | ||
| 117 | K | 31.3 | Very low | 43 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | trans | -68.5 | 101.6 | 163.4 | -72.9 | -175.7 | -179.6 | 177.4 | 0 | 102.4 | Y115 P119 | Y115-K117 PolarHBondContact O-N 3.34Å; K117-P119 WeakPolarHBondContact O-CD 3.5Å; K117-P119 VanDerWaalsContact O-N 3.1Å | ||
| 118 | K | 30.6 | Very low | 40.8 | Very low | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 122 | 160.4 | -79.8 | 178.5 | 177.3 | 174.4 | 0 | 104.9 | P116 | P116-K118 VanDerWaalsContact C-N 3.29Å; P116-K118 PolarHBondContact O-N 3.48Å |
| 119 | P | 29.3 | Very low | 39.2 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 147.2 | 168.7 | 22.9 | -30.9 | 0 | 0 | 0 | 107.4 | K117 Y121 | K117-P119 WeakPolarHBondContact O-CD 3.5Å; K117-P119 VanDerWaalsContact O-N 3.1Å; P119-Y121 PolarHBondContact O-N 2.85Å |
| 120 | P | 35.2 | Very low | 38 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -50 | 118.2 | 161.6 | 23.3 | -29.9 | 0 | 0 | 0 | 105.4 | Q122 | P120-Q122 PolarHBondContact O-N 3.36Š|
| 121 | Y | 38.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | trans | -64.8 | 85.6 | -174.2 | 177.5 | -113.6 | 0 | 0 | 0 | 108.1 | P119 K123 | P119-Y121 PolarHBondContact O-N 2.85Å; Y121-K123 HydrophobicContact CD1-CG 4.01Å; Y121-K123 HydrophobicContact CE1-CB 4.48Å; Y121-K123 HydrophobicContact CE1-CD 3.6Å; Y121-K123 VanDerWaalsContact CE1-CE 3.45Å; Y121-K123 HydrophobicContact CE1-CG 3.27Å; Y121-K123 HydrophobicContact CE2-CG 4.03Å; Y121-K123 PolarHBondContact O-N 3.25Å; Y121-K123 WeakPolarHBondContact OH-CE 3.29Å; Y121-K123 VanDerWaalsContact OH-CG 3.27Å; Y121-K123 WeakPolarHBondContact OH-CG 3.29Å | ||
| 122 | Q | 36.5 | Very low | 36.8 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | trans | -78 | 105.4 | 158.6 | -121.3 | 171.9 | -10.8 | 0 | 0 | 104.9 | P120 D124 | P120-Q122 PolarHBondContact O-N 3.36Å; Q122-D124 PolarHBondContact O-N 3.41Å | ||
| 123 | K | 35.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 61% | 0.609 | 74% | 0.737 | S | S | * | * | trans | -64 | 72.3 | 162.8 | -89.9 | 177.1 | 166.2 | 178.5 | 0 | 108.5 | Y121 V125 | Y121-K123 HydrophobicContact CD1-CG 4.01Å; Y121-K123 HydrophobicContact CE1-CB 4.48Å; Y121-K123 HydrophobicContact CE1-CD 3.6Å; Y121-K123 VanDerWaalsContact CE1-CE 3.45Å; Y121-K123 HydrophobicContact CE1-CG 3.27Å; Y121-K123 HydrophobicContact CE2-CG 4.03Å; Y121-K123 PolarHBondContact O-N 3.25Å; Y121-K123 WeakPolarHBondContact OH-CE 3.29Å; Y121-K123 VanDerWaalsContact OH-CG 3.27Å; Y121-K123 WeakPolarHBondContact OH-CG 3.29Å; K123-V125 HydrophobicContact CB-CG2 4.12Å; K123-V125 HydrophobicContact CG-CG2 4.08Å; K123-V125 PolarHBondContact O-N 3.18Å | ||
| 124 | D | 36.5 | Very low | 35.9 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | -85.6 | 71.8 | 148.1 | -72 | -34.1 | 0 | 0 | 0 | 106.2 | Q122 I126 | Q122-D124 PolarHBondContact O-N 3.41Å; D124-I126 PolarHBondContact O-N 3.36Å | ||
| 125 | V | 36 | Very low | 35.8 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 56% | 0.564 | 74% | 0.738 | S | S | * | * | trans | -58.7 | 109.8 | 160.7 | 176.2 | 0 | 0 | 0 | 0 | 104.4 | K123 K127 | K123-V125 HydrophobicContact CB-CG2 4.12Å; K123-V125 HydrophobicContact CG-CG2 4.08Å; K123-V125 PolarHBondContact O-N 3.18Å; V125-K127 HydrophobicContact CG1-CG 4.32Å; V125-K127 PolarHBondContact O-N 2.91Å | ||
| 126 | I | 37 | Very low | 35.9 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | -53.5 | 101.3 | 153.3 | -62 | 171.1 | 0 | 0 | 0 | 104.4 | D124 F128 | D124-I126 PolarHBondContact O-N 3.36Å; I126-F128 HydrophobicContact CB-CD2 4.44Å; I126-F128 HydrophobicContact CB-CE2 4.2Å; I126-F128 HydrophobicContact CG2-CD2 3.94Å; I126-F128 HydrophobicContact CG2-CE2 3.66Å; I126-F128 HydrophobicContact CG2-CZ 4.18Å; I126-F128 PolarHBondContact O-N 3.09Å | ||
| 127 | K | 30.6 | Very low | 36.1 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -68.9 | 89 | 175.1 | -74.9 | -171.3 | 178.2 | -174.9 | 0 | 106.9 | V125 | V125-K127 HydrophobicContact CG1-CG 4.32Å; V125-K127 PolarHBondContact O-N 2.91Å | ||
| 128 | F | 34.7 | Very low | 36.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 69% | 0.689 | 74% | 0.743 | S | S | * | * | trans | -61 | 138.8 | 155.2 | -74.8 | -84.6 | 0 | 0 | 0 | 107.5 | I126 E130 | I126-F128 HydrophobicContact CB-CD2 4.44Å; I126-F128 HydrophobicContact CB-CE2 4.2Å; I126-F128 HydrophobicContact CG2-CD2 3.94Å; I126-F128 HydrophobicContact CG2-CE2 3.66Å; I126-F128 HydrophobicContact CG2-CZ 4.18Å; I126-F128 PolarHBondContact O-N 3.09Å; F128-E130 PolarHBondContact O-N 3.1Å | ||
| 129 | P | 35.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -53.5 | 117.1 | -179.8 | -22.4 | 31 | 0 | 0 | 0 | 109.9 | W131 | P129-W131 PolarHBondContact O-N 2.7Å; P129-W131 VanDerWaalsContact O-N 3.07Å | ||
| 130 | E | 35.2 | Very low | 36.7 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -64.4 | 107 | 171.7 | -87.1 | 175.1 | 144.6 | 0 | 0 | 107.9 | F128 N132 | F128-E130 PolarHBondContact O-N 3.1Å; E130-N132 PolarHBondContact O-N 3.31Å | ||
| 131 | W | 46.5 | Very low | 36.5 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -82.8 | 20.3 | 178.1 | -80 | 93.1 | 0 | 0 | 0 | 113.6 | P129 | P129-W131 PolarHBondContact O-N 2.7Å; P129-W131 VanDerWaalsContact O-N 3.07Å | ||
| 132 | N | 41.3 | Very low | 36.2 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -123.1 | 68.5 | -177.5 | -70.8 | -15 | 0 | 0 | 0 | 110.5 | E130 | E130-N132 PolarHBondContact O-N 3.31Š| ||
| 133 | D | 37.9 | Very low | 36.1 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -142.8 | 129.7 | 144.2 | -91.3 | -33.8 | 0 | 0 | 0 | 107.8 | ||||
| 134 | P | 38.2 | Very low | 35.9 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.5 | 168 | 24.6 | -20.1 | 0 | 0 | 0 | 109.4 | ||
| 135 | T | 37.3 | Very low | 35.8 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 138.4 | 160.1 | 32.3 | 0 | 0 | 0 | 0 | 109.6 | G137 | T135-G137 PolarHBondContact O-N 2.88Š|
| 136 | P | 38.6 | Very low | 35.5 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -75.4 | 121.1 | -179.7 | 29.6 | -31.5 | 0 | 0 | 0 | 109.7 | ||
| 137 | G | 37.1 | Very low | 35.2 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 128.4 | 98 | 168 | 0 | 0 | 0 | 0 | 0 | 112.5 | T135 | T135-G137 PolarHBondContact O-N 2.88Š| ||
| 138 | T | 30.9 | Very low | 35.4 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | -176.7 | 124.5 | 112.3 | -54.3 | 0 | 0 | 0 | 0 | 106.3 | Q140 | T138-Q140 PolarHBondContact O-N 2.96Š| |||
| 139 | S | 37.7 | Very low | 35.6 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -45.6 | 120 | -180 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 140 | Q | 34.4 | Very low | 35.4 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -80.4 | 112.8 | 159.5 | -77.2 | -170.3 | -36 | 0 | 0 | 108.5 | T138 N142 | T138-Q140 PolarHBondContact O-N 2.96Å; Q140-N142 PolarHBondContact O-N 3.21Å | ||
| 141 | E | 31.3 | Very low | 35.5 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121.5 | 166 | -73.4 | -178.8 | 150.7 | 0 | 0 | 109.5 | ||
| 142 | N | 32.7 | Very low | 35.2 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 122 | 172.5 | -68.3 | -60.1 | 0 | 0 | 0 | 109.5 | Q140 P144 | Q140-N142 PolarHBondContact O-N 3.21Å; N142-P144 WeakPolarHBondContact O-CD 3.31Å |
| 143 | I | 32.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 120 | 162.3 | -58.4 | 170.3 | 0 | 0 | 0 | 107.2 | V145 | I143-V145 PolarHBondContact O-N 3.29Š|
| 144 | P | 32.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 117.3 | -177.7 | 31.5 | -29.5 | 0 | 0 | 0 | 110.2 | N142 | N142-P144 WeakPolarHBondContact O-CD 3.31Š|
| 145 | V | 33.8 | Very low | 35.2 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -98.3 | 115.3 | 163.5 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | I143 | I143-V145 PolarHBondContact O-N 3.29Š| ||
| 146 | R | 30.3 | Very low | 35.3 | Very low | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 138 | -179.9 | -72.1 | 178.9 | 174.8 | 178.1 | -1.9 | 111 | V148 | R146-V148 PolarHBondContact O-N 3.27Š| ||
| 147 | P | 31.1 | Very low | 35.4 | Very low | 118 Ų | 118 | 152 Ų | 152 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -78.6 | 122.7 | 169.2 | 23.9 | -16.1 | 0 | 0 | 0 | 109.6 | V149 | P147-V149 PolarHBondContact O-N 3.11Š| ||
| 148 | V | 32.8 | Very low | 35.3 | Very low | 128 Ų | 128 | 159.6 Ų | 159.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 113.4 | 167.5 | 172.6 | 0 | 0 | 0 | 0 | 107.6 | R146 M150 | R146-V148 PolarHBondContact O-N 3.27Å; V148-M150 PolarHBondContact O-N 3.06Å | ||
| 149 | V | 40.6 | Very low | 35.9 | Very low | 125 Ų | 125 | 163 Ų | 163 | 76% | 0.758 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 121.4 | 168.1 | 180 | 0 | 0 | 0 | 0 | 107.6 | P147 | P147-V149 PolarHBondContact O-N 3.11Š| ||
| 150 | M | 31.1 | Very low | 36 | Very low | 175 Ų | 175 | 161.9 Ų | 161.9 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | trans | -115.3 | 120.2 | 174.4 | -154.2 | 89.6 | 144.7 | 0 | 0 | 109 | V148 | V148-M150 PolarHBondContact O-N 3.06Š| ||
| 151 | N | 36.3 | Very low | 36.3 | Very low | 146 Ų | 146 | 160.7 Ų | 160.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 153.8 | -173.3 | -81.1 | -18 | 0 | 0 | 0 | 114.8 | E153 | N151-E153 PolarHBondContact O-N 3.11Å; N151-E153 VanDerWaalsContact O-N 3.11Å | ||
| 152 | S | 39.8 | Very low | 36.7 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -71.8 | 17.1 | -167.5 | -178.8 | 0 | 0 | 0 | 0 | 118.2 | ||
| 153 | E | 39.4 | Very low | 37 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -112.5 | 11.3 | -163.8 | -77 | -174.8 | 168.5 | 0 | 0 | 117.9 | N151 | N151-E153 PolarHBondContact O-N 3.11Å; N151-E153 VanDerWaalsContact O-N 3.11Å |
| 154 | M | 39.6 | Very low | 37.4 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -132 | 40.7 | 177.4 | -69.7 | -144.2 | -66.3 | 0 | 0 | 115.4 | ||||
| 155 | W | 38.8 | Very low | 38 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 71% | 0.705 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -9.6 | -177.9 | 92.1 | -92.9 | 0 | 0 | 0 | 115.8 | ||
| 156 | Y | 38.9 | Very low | 38.5 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 6.1 | -170.4 | -66.8 | -72.9 | 0 | 0 | 0 | 116.8 | ||
| 157 | K | 41.3 | Very low | 39.4 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -138.1 | 83.1 | 178 | -75.2 | -177.1 | -179.7 | 175.4 | 0 | 111.6 | ||
| 158 | R | 35.9 | Very low | 40.3 | Very low | 225 Ų | 225 | 143.9 Ų | 143.9 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | trans | -170.1 | 107.7 | 142.6 | -103.2 | 157.4 | -170.9 | 143.5 | 2.8 | 109.7 | S160 | R158-S160 PolarHBondContact O-N 3.27Š| ||
| 159 | H | 42.3 | Very low | 41 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | trans | -65.1 | 91.1 | 154.7 | -73.9 | 80.1 | 0 | 0 | 0 | 107 | ||||
| 160 | S | 39.2 | Very low | 41.5 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 57% | 0.573 | 74% | 0.743 | S | S | * | * | trans | -156 | 111 | 166.1 | 46 | 0 | 0 | 0 | 0 | 105.3 | R158 A162 | R158-S160 PolarHBondContact O-N 3.27Å; S160-A162 PolarHBondContact O-N 3.39Å | ||
| 161 | I | 41.7 | Very low | 42.5 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -21.7 | 129.2 | 173.7 | -63.2 | 155 | 0 | 0 | 0 | 110.9 | I163 | I161-I163 PolarHBondContact O-N 3.05Š| ||
| 162 | A | 39.2 | Very low | 43.3 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -54.9 | 89.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S160 G164 | S160-A162 PolarHBondContact O-N 3.39Å; A162-G164 PolarHBondContact O-N 2.92Å | ||
| 163 | I | 38.9 | Very low | 43.7 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -73.2 | 92.2 | 154.8 | -59.8 | 174.9 | 0 | 0 | 0 | 102.4 | I161 V166 | I161-I163 PolarHBondContact O-N 3.05Å; I163-V166 HydrophobicContact CG2-CG2 4.24Å | ||
| 164 | G | 40.8 | Very low | 44.6 | Very low | 57 Ų | 57 | 136.3 Ų | 136.3 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | trans | -47.3 | 144.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A162 V166 | A162-G164 PolarHBondContact O-N 2.92Å; G164-V166 PolarHBondContact O-N 2.71Å; G164-V166 VanDerWaalsContact O-N 3.11Å | ||
| 165 | E | 46.1 | Very low | 45.4 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | trans | -29.2 | 116.8 | 179.2 | -67.3 | 177.5 | 151.8 | 0 | 0 | 111.5 | P167 | E165-P167 VanDerWaalsContact O-CD 3.25Å; E165-P167 WeakPolarHBondContact O-CD 3.48Å | ||
| 166 | V | 44.3 | Very low | 46.6 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | trans | -56 | 118.3 | 176 | -177.6 | 0 | 0 | 0 | 0 | 106.3 | I163 G164 A168 | I163-V166 HydrophobicContact CG2-CG2 4.24Å; G164-V166 PolarHBondContact O-N 2.71Å; G164-V166 VanDerWaalsContact O-N 3.11Å; V166-A168 PolarHBondContact O-N 2.83Å; V166-A168 VanDerWaalsContact O-N 3.07Å | ||
| 167 | P | 49.1 | Very low | 48.3 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 46% | 0.455 | 66% | 0.663 | S | S | . | * | trans | -56 | 122.9 | -177.1 | -23.5 | 32 | 0 | 0 | 0 | 108.6 | E165 C169 P418 | E165-P167 VanDerWaalsContact O-CD 3.25Å; E165-P167 WeakPolarHBondContact O-CD 3.48Å; P167-C169 PolarHBondContact O-N 2.93Å; P167-P418 HydrophobicContact CB-CB 3.91Å; P167-P418 HydrophobicContact CB-CG 3.64Å | ||
| 168 | A | 50.3 | Low | 50.3 | Low | 78 Ų | 78 | 124.2 Ų | 124.2 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | trans | -56.4 | 112.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V166 R170 P418 | V166-A168 PolarHBondContact O-N 2.83Å; V166-A168 VanDerWaalsContact O-N 3.07Å; A168-R170 PolarHBondContact O-N 2.68Å; A168-R170 VanDerWaalsContact O-N 3.11Å; A168-P418 VanDerWaalsContact O-CG 3.26Å; A168-P418 WeakPolarHBondContact O-CG 3.39Å | ||
| 169 | C | 46.6 | Very low | 52.7 | Low | 71 Ų | 71 | 120.8 Ų | 120.8 | 48% | 0.48 | 64% | 0.639 | S | S | . | * | trans | -59.2 | 115.8 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 109 | P167 Y417 | P167-C169 PolarHBondContact O-N 2.93Å; C169-Y417 VanDerWaalsContact SG-CE1 3.57Å | ||
| 170 | R | 52.1 | Low | 54.8 | Low | 196 Ų | 196 | 114 Ų | 114 | 74% | 0.74 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 111.6 | 170.1 | -71.3 | -174.4 | -179.6 | 175 | 0.1 | 108.2 | A168 V172 | A168-R170 PolarHBondContact O-N 2.68Å; A168-R170 VanDerWaalsContact O-N 3.11Å; R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.08Å |
| 171 | L | 51.8 | Low | 57 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.7 | 94.9 | 168.1 | -75.2 | 167 | 0 | 0 | 0 | 108.6 | H173 V413 I415 | L171-H173 PolarHBondContact O-N 3.06Å; L171-H173 PolarHBondContact O-ND1 3.47Å; L171-V413 HydrophobicContact CD2-CG1 4.22Å; L171-I415 HydrophobicContact CD2-CG1 4.11Å |
| 172 | V | 52.5 | Low | 59.3 | Low | 72 Ų | 72 | 107 Ų | 107 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 97.1 | 171.2 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | R170 R174 K416 | R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.08Å; V172-R174 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact O-N 3.09Å; V172-K416 HydrophobicContact CG2-CB 4.2Å; V172-K416 HydrophobicContact CG2-CD 4.31Å; V172-K416 HydrophobicContact CG2-CG 4.45Å |
| 173 | H | 50.1 | Low | 61.8 | Low | 144 Ų | 144 | 103.8 Ų | 103.8 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | trans | -65.2 | 109.6 | 167.9 | -77.2 | 72.6 | 0 | 0 | 0 | 107.7 | L171 R175 | L171-H173 PolarHBondContact O-N 3.06Å; L171-H173 PolarHBondContact O-ND1 3.47Å; H173-R175 PolarHBondContact O-N 3.24Å | ||
| 174 | R | 56.6 | Low | 64.3 | Low | 115 Ų | 115 | 101.8 Ų | 101.8 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | trans | -62.1 | 137.5 | 170.7 | -143.3 | -176.9 | -164.3 | 160.7 | 4.7 | 107.6 | V172 Q176 L410 | V172-R174 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact O-N 3.09Å; R174-Q176 PolarHBondContact O-N 2.89Å; R174-L410 VanDerWaalsContact CD-O 3.25Å; R174-L410 WeakPolarHBondContact CD-O 3.34Å; R174-L410 PolarHBondContact NH1-O 3Å | ||
| 175 | R | 56.6 | Low | 66.6 | Low | 178 Ų | 178 | 100.1 Ų | 100.1 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | trans | -45.3 | 134.7 | 173.5 | -90 | -178.1 | 173 | 146 | -1.5 | 109.2 | H173 L177 | H173-R175 PolarHBondContact O-N 3.24Å; R175-L177 PolarHBondContact O-N 3.46Å | ||
| 176 | Q | 64 | Low | 68.9 | Low | 186 Ų | 186 | 91.5 Ų | 91.5 | 87% | 0.869 | 47% | 0.469 | S | S | * | . | trans | -54.3 | 126.9 | 176.5 | -70.3 | -179.5 | -4.9 | 0 | 0 | 109 | R174 T178 | R174-Q176 PolarHBondContact O-N 2.89Å; Q176-T178 PolarHBondContact O-N 3.36Å; Q176-T178 VanDerWaalsContact O-N 3.14Å | ||
| 177 | L | 76.2 | Confident | 71.2 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 24% | 0.241 | 44% | 0.442 | C | S | . | . | trans | -67.7 | 112 | 178.2 | -166 | 79 | 0 | 0 | 0 | 107.9 | R175 N181 V182 I185 V407 L410 R411 | R175-L177 PolarHBondContact O-N 3.46Å; L177-N181 HydrophobicContact CD1-CB 3.78Å; L177-N181 HydrophobicContact CG-CB 4.04Å; L177-V182 HydrophobicContact CD2-CG2 3.43Å; L177-V182 VanDerWaalsContact CD2-CG2 3.43Å; L177-V182 HydrophobicContact CG-CG2 4.05Å; L177-I185 HydrophobicContact CD1-CD1 4.43Å; L177-I185 HydrophobicContact CD2-CD1 4.41Å; L177-V407 HydrophobicContact CD2-CG1 3.9Å; L177-L410 HydrophobicContact CD1-CD1 4.48Å; L177-R411 HydrophobicContact CB-CG 4.41Å; L177-R411 HydrophobicContact CD2-CG 4.34Å | ||
| 178 | T | 82.9 | Confident | 73.3 | Confident | 74 Ų | 74 | 86.7 Ų | 86.7 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | trans | -69.3 | 159.3 | 176.4 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | Q176 A180 N181 V182 | Q176-T178 PolarHBondContact O-N 3.36Å; Q176-T178 VanDerWaalsContact O-N 3.14Å; T178-A180 VanDerWaalsContact C-N 3.3Å; T178-A180 PolarHBondContact O-N 2.97Å; T178-N181 WeakPolarHBondContact O-CB 3.45Å; T178-N181 PolarHBondContact O-N 3.28Å; T178-N181 VanDerWaalsContact O-N 3.11Å; T178-N181 PolarHBondContact OG1-N 3.24Å; T178-N181 PolarHBondContact OG1-ND2 3.29Å; T178-N181 PolarHBondContact OG1-OD1 2.97Å; T178-V182 PolarHBondContact O-N 3.48Å | ||
| 179 | E | 85 | Confident | 75.3 | Confident | 153 Ų | 153 | 85.6 Ų | 85.6 | 72% | 0.715 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.5 | -41.8 | 176.3 | -171.1 | 174.8 | -171.2 | 0 | 0 | 111.9 | N181 V182 E183 | E179-N181 VanDerWaalsContact C-N 3.25Å; E179-N181 PolarHBondContact O-N 2.84Å; E179-V182 WeakPolarHBondContact O-CA 3.27Å; E179-V182 WeakPolarHBondContact O-CB 3.4Å; E179-V182 PolarHBondContact O-N 2.97Å; E179-E183 PolarHBondContact O-N 3.04Å |
| 180 | A | 86.4 | Confident | 77.6 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.4 | -34.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T178 E183 E184 | T178-A180 VanDerWaalsContact C-N 3.3Å; T178-A180 PolarHBondContact O-N 2.97Å; A180-E183 PolarHBondContact O-N 2.94Å; A180-E184 WeakPolarHBondContact O-CB 3.2Å; A180-E184 PolarHBondContact O-N 2.69Å |
| 181 | N | 86.4 | Confident | 79.6 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.7 | -35.9 | 175.9 | -67.2 | -11.5 | 0 | 0 | 0 | 111.5 | L177 T178 E179 I185 | L177-N181 HydrophobicContact CD1-CB 3.78Å; L177-N181 HydrophobicContact CG-CB 4.04Å; T178-N181 WeakPolarHBondContact O-CB 3.45Å; T178-N181 PolarHBondContact O-N 3.28Å; T178-N181 VanDerWaalsContact O-N 3.11Å; T178-N181 PolarHBondContact OG1-N 3.24Å; T178-N181 PolarHBondContact OG1-ND2 3.29Å; T178-N181 PolarHBondContact OG1-OD1 2.97Å; E179-N181 VanDerWaalsContact C-N 3.25Å; E179-N181 PolarHBondContact O-N 2.84Å; N181-I185 WeakPolarHBondContact O-CD1 3.45Å; N181-I185 WeakPolarHBondContact O-CG1 3.37Å; N181-I185 PolarHBondContact O-N 3.25Å |
| 182 | V | 88.9 | Confident | 81.5 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 12% | 0.121 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 175 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | L177 T178 E179 E184 I185 W186 V407 | L177-V182 HydrophobicContact CD2-CG2 3.43Å; L177-V182 VanDerWaalsContact CD2-CG2 3.43Å; L177-V182 HydrophobicContact CG-CG2 4.05Å; T178-V182 PolarHBondContact O-N 3.48Å; E179-V182 WeakPolarHBondContact O-CA 3.27Å; E179-V182 WeakPolarHBondContact O-CB 3.4Å; E179-V182 PolarHBondContact O-N 2.97Å; V182-E184 VanDerWaalsContact C-N 3.32Å; V182-E184 PolarHBondContact O-N 3.45Å; V182-I185 PolarHBondContact O-N 2.73Å; V182-W186 VanDerWaalsContact O-CD1 3.29Å; V182-W186 PolarHBondContact O-N 3.17Å; V182-V407 HydrophobicContact CG2-CG1 4.46Å |
| 183 | E | 92.1 | Very high | 83.5 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.3 | -46 | 174.6 | -76 | -172.8 | -155.5 | 0 | 0 | 112.6 | E179 A180 W186 K187 S214 K215 I218 | E179-E183 PolarHBondContact O-N 3.04Å; A180-E183 PolarHBondContact O-N 2.94Å; E183-W186 WeakPolarHBondContact O-CB 3.47Å; E183-W186 PolarHBondContact O-N 3.2Å; E183-K187 PolarHBondContact O-N 3.43Å; E183-S214 WeakPolarHBondContact O-CB 3.28Å; E183-S214 PolarHBondContact OE2-OG 2.06Å; E183-K215 WeakPolarHBondContact OE1-CE 3.18Å; E183-K215 WeakPolarHBondContact OE2-CE 3.28Å; E183-I218 HydrophobicContact CB-CD1 4.41Å; E183-I218 HydrophobicContact CG-CD1 3.78Å |
| 184 | E | 90.9 | Very high | 85.5 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -35.1 | 179.1 | -172.1 | 58.2 | -158.5 | 0 | 0 | 112.5 | A180 V182 W186 K187 S188 | A180-E184 WeakPolarHBondContact O-CB 3.2Å; A180-E184 PolarHBondContact O-N 2.69Å; V182-E184 VanDerWaalsContact C-N 3.32Å; V182-E184 PolarHBondContact O-N 3.45Å; E184-W186 VanDerWaalsContact C-N 3.35Å; E184-K187 PolarHBondContact O-N 2.84Å; E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3Å; E184-S188 PolarHBondContact O-N 3.26Å; E184-S188 PolarHBondContact O-OG 3.12Å |
| 185 | I | 90 | Very high | 87.2 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 172.8 | -69 | 161.6 | 0 | 0 | 0 | 110 | L177 N181 V182 S188 M189 I403 R406 V407 L410 | L177-I185 HydrophobicContact CD1-CD1 4.43Å; L177-I185 HydrophobicContact CD2-CD1 4.41Å; N181-I185 WeakPolarHBondContact O-CD1 3.45Å; N181-I185 WeakPolarHBondContact O-CG1 3.37Å; N181-I185 PolarHBondContact O-N 3.25Å; V182-I185 PolarHBondContact O-N 2.73Å; I185-S188 WeakPolarHBondContact CA-OG 3.34Å; I185-S188 PolarHBondContact O-OG 2.77Å; I185-M189 HydrophobicContact CG2-CG 4.23Å; I185-M189 HydrophobicContact CG2-SD 3.74Å; I185-M189 VanDerWaalsContact O-CB 3.29Å; I185-M189 WeakPolarHBondContact O-CB 3.4Å; I185-M189 WeakPolarHBondContact O-CG 3.36Å; I185-M189 PolarHBondContact O-N 2.85Å; I185-I403 HydrophobicContact CG2-CG2 4.1Å; I185-R406 HydrophobicContact CG2-CG 4.42Å; I185-V407 HydrophobicContact CD1-CG2 4.17Å; I185-V407 HydrophobicContact CG2-CG2 4.17Å; I185-L410 HydrophobicContact CD1-CD1 3.55Å |
| 186 | W | 93.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.7 | -88.5 | 99.9 | 0 | 0 | 0 | 111.8 | V182 E183 E184 T190 I217 I218 V221 Y222 Q400 I403 | V182-W186 VanDerWaalsContact O-CD1 3.29Å; V182-W186 PolarHBondContact O-N 3.17Å; E183-W186 WeakPolarHBondContact O-CB 3.47Å; E183-W186 PolarHBondContact O-N 3.2Å; E184-W186 VanDerWaalsContact C-N 3.35Å; W186-T190 WeakPolarHBondContact O-CB 3.39Å; W186-T190 PolarHBondContact O-N 3.48Å; W186-T190 PolarHBondContact O-OG1 3.01Å; W186-I217 HydrophobicContact CE3-CG2 3.81Å; W186-I217 HydrophobicContact CZ3-CG2 4.47Å; W186-I218 HydrophobicContact CB-CD1 4.29Å; W186-I218 HydrophobicContact CB-CG1 4Å; W186-I218 HydrophobicContact CD2-CG1 4.07Å; W186-I218 HydrophobicContact CG-CD1 4.06Å; W186-I218 HydrophobicContact CG-CG1 3.61Å; W186-V221 HydrophobicContact CH2-CB 4.31Å; W186-V221 HydrophobicContact CH2-CG1 3.8Å; W186-V221 HydrophobicContact CH2-CG2 4.04Å; W186-V221 HydrophobicContact CZ2-CG1 4.44Å; W186-V221 HydrophobicContact CZ3-CB 4.45Å; W186-V221 HydrophobicContact CZ3-CG1 4.37Å; W186-V221 HydrophobicContact CZ3-CG2 3.75Å; W186-Y222 HydrophobicContact CH2-CE2 4.44Å; W186-Y222 AromaticContact CZ2-CE2 3.7Å; W186-Y222 HydrophobicContact CZ2-CE2 3.7Å; W186-Y222 AromaticContact CZ2-CZ 3.92Å; W186-Y222 WeakPolarHBondContact CZ2-OH 3.45Å; W186-Q400 HydrophobicContact CH2-CB 4.23Å; W186-Q400 HydrophobicContact CH2-CG 4.15Å; W186-I403 HydrophobicContact CD2-CD1 3.88Å; W186-I403 HydrophobicContact CD2-CG2 3.75Å; W186-I403 VanDerWaalsContact CE2-CG2 3.47Å; W186-I403 HydrophobicContact CE3-CD1 3.3Å; W186-I403 HydrophobicContact CE3-CG1 4.49Å; W186-I403 HydrophobicContact CE3-CG2 4.26Å; W186-I403 HydrophobicContact CG-CG2 4.1Å; W186-I403 HydrophobicContact CH2-CB 4.23Å; W186-I403 HydrophobicContact CH2-CD1 4.03Å; W186-I403 HydrophobicContact CH2-CG2 4.25Å; W186-I403 HydrophobicContact CZ2-CB 4.17Å; W186-I403 HydrophobicContact CZ2-CG2 3.75Å; W186-I403 HydrophobicContact CZ3-CB 4.45Å; W186-I403 HydrophobicContact CZ3-CD1 3.39Å; W186-I403 HydrophobicContact CZ3-CG1 4.49Å; W186-I403 HydrophobicContact CZ3-CG2 4.49Å |
| 187 | K | 93.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 54 Ų | 54 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -55.6 | 177.5 | -178.8 | 172.4 | 175.5 | 164.4 | 0 | 111.6 | E183 E184 M189 T190 L191 I209 V212 | E183-K187 PolarHBondContact O-N 3.43Å; E184-K187 PolarHBondContact O-N 2.84Å; K187-M189 PolarHBondContact O-N 3.36Å; K187-T190 PolarHBondContact O-N 3.01Å; K187-L191 HydrophobicContact CG-CD1 3.98Å; K187-L191 WeakPolarHBondContact O-CB 3.33Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.46Å; K187-L191 PolarHBondContact O-N 3.36Å; K187-I209 VanDerWaalsContact CE-O 3.27Å; K187-I209 WeakPolarHBondContact CE-O 3.47Å; K187-I209 PolarHBondContact NZ-O 3.06Å; K187-V212 WeakPolarHBondContact CE-O 3.25Å; K187-V212 HydrophobicContact CG-CG1 4.3Å; K187-V212 PolarHBondContact NZ-O 3.23Å |
| 188 | S | 92.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | -175.8 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | E184 I185 S192 | E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3Å; E184-S188 PolarHBondContact O-N 3.26Å; E184-S188 PolarHBondContact O-OG 3.12Å; I185-S188 WeakPolarHBondContact CA-OG 3.34Å; I185-S188 PolarHBondContact O-OG 2.77Å; S188-S192 VanDerWaalsContact O-CB 3.29Å; S188-S192 WeakPolarHBondContact O-CB 3.44Å; S188-S192 PolarHBondContact O-N 3.24Å |
| 189 | M | 92.9 | Very high | 91.1 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 179.1 | -70.4 | -170.7 | 64.1 | 0 | 0 | 112.1 | I185 K187 S192 Y193 I403 R406 | I185-M189 HydrophobicContact CG2-CG 4.23Å; I185-M189 HydrophobicContact CG2-SD 3.74Å; I185-M189 VanDerWaalsContact O-CB 3.29Å; I185-M189 WeakPolarHBondContact O-CB 3.4Å; I185-M189 WeakPolarHBondContact O-CG 3.36Å; I185-M189 PolarHBondContact O-N 2.85Å; K187-M189 PolarHBondContact O-N 3.36Å; M189-S192 PolarHBondContact O-N 3.42Å; M189-Y193 VanDerWaalsContact O-CB 3.31Å; M189-Y193 WeakPolarHBondContact O-CB 3.14Å; M189-Y193 PolarHBondContact O-N 3.14Å; M189-I403 HydrophobicContact CB-CD1 3.91Å; M189-I403 HydrophobicContact CB-CG1 3.75Å; M189-I403 HydrophobicContact CE-CG1 3.74Å; M189-I403 HydrophobicContact CG-CG1 4.28Å; M189-I403 HydrophobicContact SD-CB 4.34Å; M189-I403 HydrophobicContact SD-CG1 3.68Å; M189-R406 HydrophobicContact CE-CB 4.47Å; M189-R406 HydrophobicContact SD-CB 4.03Å; M189-R406 HydrophobicContact SD-CG 3.94Å |
| 190 | T | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177 | -56.4 | 0 | 0 | 0 | 0 | 111 | W186 K187 Y193 L194 I217 I314 L318 L399 | W186-T190 WeakPolarHBondContact O-CB 3.39Å; W186-T190 PolarHBondContact O-N 3.48Å; W186-T190 PolarHBondContact O-OG1 3.01Å; K187-T190 PolarHBondContact O-N 3.01Å; T190-Y193 PolarHBondContact O-N 3.31Å; T190-L194 PolarHBondContact O-N 3.39Å; T190-I217 HydrophobicContact CG2-CD1 4.29Å; T190-I217 HydrophobicContact CG2-CG2 4.48Å; T190-I314 HydrophobicContact CG2-CG2 3.78Å; T190-L318 HydrophobicContact CG2-CD2 4.01Å; T190-L399 HydrophobicContact CG2-CD2 4.15Å |
| 191 | L | 93.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.7 | -68.1 | 176.5 | 0 | 0 | 0 | 111.9 | K187 Y193 L194 Q195 L203 L207 I209 V212 | K187-L191 HydrophobicContact CG-CD1 3.98Å; K187-L191 WeakPolarHBondContact O-CB 3.33Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.46Å; K187-L191 PolarHBondContact O-N 3.36Å; L191-Y193 VanDerWaalsContact C-N 3.25Å; L191-Y193 PolarHBondContact O-N 3.49Å; L191-L194 PolarHBondContact O-N 2.89Å; L191-Q195 WeakPolarHBondContact O-CB 3.43Å; L191-Q195 PolarHBondContact O-N 3.14Å; L191-L203 HydrophobicContact CB-CD1 4Å; L191-L203 HydrophobicContact CD2-CD1 4.11Å; L191-L203 WeakPolarHBondContact O-CD1 3.3Å; L191-L207 HydrophobicContact CD2-CD2 3.55Å; L191-I209 HydrophobicContact CD1-CG1 4.46Å; L191-I209 HydrophobicContact CD1-CG2 3.84Å; L191-V212 HydrophobicContact CD2-CG2 4.43Å |
| 192 | S | 91.9 | Very high | 91.1 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 112 | S188 M189 K196 | S188-S192 VanDerWaalsContact O-CB 3.29Å; S188-S192 WeakPolarHBondContact O-CB 3.44Å; S188-S192 PolarHBondContact O-N 3.24Å; M189-S192 PolarHBondContact O-N 3.42Å; S192-K196 WeakPolarHBondContact O-CB 3.34Å; S192-K196 PolarHBondContact O-N 3.14Å |
| 193 | Y | 93.1 | Very high | 91 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 176.7 | -163.9 | -95.9 | 0 | 0 | 0 | 111.6 | M189 T190 L191 Q195 K196 I197 I314 L399 | M189-Y193 VanDerWaalsContact O-CB 3.31Å; M189-Y193 WeakPolarHBondContact O-CB 3.14Å; M189-Y193 PolarHBondContact O-N 3.14Å; T190-Y193 PolarHBondContact O-N 3.31Å; L191-Y193 VanDerWaalsContact C-N 3.25Å; L191-Y193 PolarHBondContact O-N 3.49Å; Y193-Q195 PolarHBondContact O-N 3.41Å; Y193-K196 PolarHBondContact O-N 3.35Å; Y193-I197 HydrophobicContact CD1-CD1 3.4Å; Y193-I197 VanDerWaalsContact CD1-CD1 3.4Å; Y193-I197 HydrophobicContact CD1-CG1 4.23Å; Y193-I197 HydrophobicContact CE1-CD1 3.25Å; Y193-I197 HydrophobicContact CE1-CG1 4.11Å; Y193-I197 HydrophobicContact CG-CD1 4.46Å; Y193-I197 WeakPolarHBondContact O-CG1 3.32Å; Y193-I197 PolarHBondContact O-N 2.88Å; Y193-I314 HydrophobicContact CD1-CD1 3.46Å; Y193-I314 VanDerWaalsContact CD1-CD1 3.46Å; Y193-I314 HydrophobicContact CD1-CG1 3.76Å; Y193-I314 HydrophobicContact CE1-CD1 3.8Å; Y193-I314 HydrophobicContact CE1-CG1 4.04Å; Y193-I314 HydrophobicContact CG-CD1 4.48Å; Y193-L399 HydrophobicContact CD2-CD1 4.41Å; Y193-L399 HydrophobicContact CG-CD1 4.15Å |
| 194 | L | 93.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 174.2 | -177.1 | 59.7 | 0 | 0 | 0 | 111.8 | T190 L191 K196 I197 L198 L203 I314 L318 | T190-L194 PolarHBondContact O-N 3.39Å; L191-L194 PolarHBondContact O-N 2.89Å; L194-K196 VanDerWaalsContact C-N 3.3Å; L194-K196 PolarHBondContact O-N 3.12Å; L194-I197 PolarHBondContact O-N 2.83Å; L194-L198 HydrophobicContact CD1-CD1 3.96Å; L194-L198 HydrophobicContact CD1-CG 4.05Å; L194-L198 HydrophobicContact CG-CD1 3.97Å; L194-L198 HydrophobicContact CG-CG 4.38Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.42Å; L194-L203 HydrophobicContact CG-CD2 4.49Å; L194-I314 HydrophobicContact CB-CG2 3.82Å; L194-I314 HydrophobicContact CD1-CB 4.42Å; L194-I314 HydrophobicContact CD1-CG2 4.16Å; L194-I314 HydrophobicContact CG-CG2 4.43Å; L194-L318 HydrophobicContact CD2-CD1 4.14Å |
| 195 | Q | 92.9 | Very high | 90 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 177.5 | -175.4 | -179 | -12.9 | 0 | 0 | 111.7 | L191 Y193 I197 L198 G199 L200 D201 L203 | L191-Q195 WeakPolarHBondContact O-CB 3.43Å; L191-Q195 PolarHBondContact O-N 3.14Å; Y193-Q195 PolarHBondContact O-N 3.41Å; Q195-I197 PolarHBondContact O-N 3.5Å; Q195-L198 PolarHBondContact O-N 3.34Å; Q195-G199 PolarHBondContact O-N 3.46Å; Q195-L200 WeakPolarHBondContact CG-O 3.21Å; Q195-L200 PolarHBondContact NE2-O 3Å; Q195-L200 PolarHBondContact O-N 3.45Å; Q195-D201 VanDerWaalsContact NE2-C 3.27Å; Q195-D201 PolarHBondContact NE2-O 3.36Å; Q195-L203 HydrophobicContact CB-CD1 3.97Å; Q195-L203 HydrophobicContact CB-CD2 4.05Å; Q195-L203 HydrophobicContact CB-CG 3.82Å; Q195-L203 HydrophobicContact CG-CD2 4.45Å; Q195-L203 HydrophobicContact CG-CG 4.17Å |
| 196 | K | 92 | Very high | 89.7 | Confident | 172 Ų | 172 | 60.7 Ų | 60.7 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 178.5 | -176.3 | -177.1 | 175.7 | -172.9 | 0 | 112.2 | S192 Y193 L194 G199 | S192-K196 WeakPolarHBondContact O-CB 3.34Å; S192-K196 PolarHBondContact O-N 3.14Å; Y193-K196 PolarHBondContact O-N 3.35Å; L194-K196 VanDerWaalsContact C-N 3.3Å; L194-K196 PolarHBondContact O-N 3.12Å; K196-G199 PolarHBondContact O-N 3.28Å |
| 197 | I | 92.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 178.4 | -68.3 | 166.2 | 0 | 0 | 0 | 111.2 | Y193 L194 Q195 G199 L301 V307 E310 A311 I314 | Y193-I197 HydrophobicContact CD1-CD1 3.4Å; Y193-I197 VanDerWaalsContact CD1-CD1 3.4Å; Y193-I197 HydrophobicContact CD1-CG1 4.23Å; Y193-I197 HydrophobicContact CE1-CD1 3.25Å; Y193-I197 HydrophobicContact CE1-CG1 4.11Å; Y193-I197 HydrophobicContact CG-CD1 4.46Å; Y193-I197 WeakPolarHBondContact O-CG1 3.32Å; Y193-I197 PolarHBondContact O-N 2.88Å; L194-I197 PolarHBondContact O-N 2.83Å; Q195-I197 PolarHBondContact O-N 3.5Å; I197-G199 PolarHBondContact O-N 3.18Å; I197-L301 HydrophobicContact CG2-CD1 4.35Å; I197-V307 HydrophobicContact CG2-CG1 3.71Å; I197-E310 HydrophobicContact CD1-CB 4.18Å; I197-A311 HydrophobicContact CG2-CB 3.65Å; I197-I314 HydrophobicContact CD1-CG1 4.12Å |
| 198 | L | 89.2 | Confident | 89 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71 | -19.7 | 178.8 | -62.8 | -179.4 | 0 | 0 | 0 | 112.4 | L194 Q195 L200 L203 V206 V298 L301 | L194-L198 HydrophobicContact CD1-CD1 3.96Å; L194-L198 HydrophobicContact CD1-CG 4.05Å; L194-L198 HydrophobicContact CG-CD1 3.97Å; L194-L198 HydrophobicContact CG-CG 4.38Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.42Å; Q195-L198 PolarHBondContact O-N 3.34Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 HydrophobicContact CB-CD1 3.75Å; L198-L200 HydrophobicContact CB-CG 3.77Å; L198-L200 HydrophobicContact CD1-CD1 3.84Å; L198-L200 HydrophobicContact CG-CD1 4.45Å; L198-L203 HydrophobicContact CD1-CD2 4.3Å; L198-V206 HydrophobicContact CD1-CG1 4.45Å; L198-V298 HydrophobicContact CD2-CG2 4.06Å; L198-L301 HydrophobicContact CD2-CD1 3.64Å |
| 199 | G | 87.1 | Confident | 88.7 | Confident | 64 Ų | 64 | 64 Ų | 64 | 66% | 0.66 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 31.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q195 K196 I197 | Q195-G199 PolarHBondContact O-N 3.46Å; K196-G199 PolarHBondContact O-N 3.28Å; I197-G199 PolarHBondContact O-N 3.18Å |
| 200 | L | 88.3 | Confident | 88.3 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | trans | -97.3 | 144 | -177.4 | -59.8 | 172.1 | 0 | 0 | 0 | 111.3 | Q195 L198 S202 L203 V206 | Q195-L200 WeakPolarHBondContact CG-O 3.21Å; Q195-L200 PolarHBondContact NE2-O 3Å; Q195-L200 PolarHBondContact O-N 3.45Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 HydrophobicContact CB-CD1 3.75Å; L198-L200 HydrophobicContact CB-CG 3.77Å; L198-L200 HydrophobicContact CD1-CD1 3.84Å; L198-L200 HydrophobicContact CG-CD1 4.45Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 WeakPolarHBondContact CB-O 3.44Å; L200-L203 HydrophobicContact CD1-CD2 4.28Å; L200-V206 HydrophobicContact CD1-CB 4.45Å; L200-V206 HydrophobicContact CD1-CG2 3.65Å | ||
| 201 | D | 83.4 | Confident | 87.9 | Confident | 169 Ų | 169 | 74.7 Ų | 74.7 | 90% | 0.904 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -72.6 | -27.6 | 175.1 | -67.5 | -40.1 | 0 | 0 | 0 | 112.2 | Q195 | Q195-D201 VanDerWaalsContact NE2-C 3.27Å; Q195-D201 PolarHBondContact NE2-O 3.36Å |
| 202 | S | 86.3 | Confident | 87.7 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | trans | -147.2 | 152.7 | 174.4 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L200 E204 | L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 WeakPolarHBondContact CB-O 3.44Å; S202-E204 WeakPolarHBondContact OG-CG 3.28Å; S202-E204 PolarHBondContact OG-N 3.37Å | ||
| 203 | L | 86.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -91.9 | -4.3 | 173.8 | -72.3 | 177.6 | 0 | 0 | 0 | 113.5 | L191 L194 Q195 L198 L200 E205 V206 L207 | L191-L203 HydrophobicContact CB-CD1 4Å; L191-L203 HydrophobicContact CD2-CD1 4.11Å; L191-L203 WeakPolarHBondContact O-CD1 3.3Å; L194-L203 HydrophobicContact CG-CD2 4.49Å; Q195-L203 HydrophobicContact CB-CD1 3.97Å; Q195-L203 HydrophobicContact CB-CD2 4.05Å; Q195-L203 HydrophobicContact CB-CG 3.82Å; Q195-L203 HydrophobicContact CG-CD2 4.45Å; Q195-L203 HydrophobicContact CG-CG 4.17Å; L198-L203 HydrophobicContact CD1-CD2 4.3Å; L200-L203 HydrophobicContact CD1-CD2 4.28Å; L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 3.25Å; L203-V206 PolarHBondContact O-N 3.49Å; L203-L207 PolarHBondContact O-N 3.37Å |
| 204 | E | 83 | Confident | 87.6 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 72% | 0.724 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.8 | -173.7 | -70.9 | 175.9 | 173.3 | 0 | 0 | 113.8 | S202 V206 | S202-E204 WeakPolarHBondContact OG-CG 3.28Å; S202-E204 PolarHBondContact OG-N 3.37Å; E204-V206 VanDerWaalsContact C-N 3.28Å; E204-V206 PolarHBondContact O-N 3.16Å |
| 205 | E | 79.4 | Confident | 87.6 | Confident | 183 Ų | 183 | 77.4 Ų | 77.4 | 86% | 0.855 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.9 | 177.8 | -63.9 | -175.6 | 172.5 | 0 | 0 | 113.2 | L203 | L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 3.25Å |
| 206 | V | 83.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -26.3 | -170.1 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | L198 L200 L203 E204 A294 | L198-V206 HydrophobicContact CD1-CG1 4.45Å; L200-V206 HydrophobicContact CD1-CB 4.45Å; L200-V206 HydrophobicContact CD1-CG2 3.65Å; L203-V206 PolarHBondContact O-N 3.49Å; E204-V206 VanDerWaalsContact C-N 3.28Å; E204-V206 PolarHBondContact O-N 3.16Å; V206-A294 HydrophobicContact CG1-CB 3.89Å; V206-A294 PolarHBondContact O-N 2.93Å |
| 207 | L | 87.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | trans | -152.8 | 131.4 | -173.5 | -175.1 | 67 | 0 | 0 | 0 | 111.8 | L191 L203 I209 V212 L291 L318 | L191-L207 HydrophobicContact CD2-CD2 3.55Å; L203-L207 PolarHBondContact O-N 3.37Å; L207-I209 PolarHBondContact O-N 2.89Å; L207-I209 VanDerWaalsContact O-N 3.16Å; L207-V212 HydrophobicContact CD1-CG2 4.23Å; L207-V212 HydrophobicContact CD2-CG2 3.62Å; L207-V212 HydrophobicContact CG-CG2 3.99Å; L207-L291 HydrophobicContact CD1-CD2 3.38Å; L207-L318 HydrophobicContact CD2-CD1 4.08Å | ||
| 208 | D | 85.6 | Confident | 87.8 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | trans | -77.2 | 102.3 | 165.9 | -171.5 | -11 | 0 | 0 | 0 | 110.5 | K210 L211 | D208-K210 PolarHBondContact O-N 2.82Å; D208-K210 VanDerWaalsContact O-N 3.08Å; D208-K210 VanDerWaalsContact OD1-CB 3.29Å; D208-K210 WeakPolarHBondContact OD1-CB 3.39Å; D208-K210 PolarHBondContact OD1-N 3.22Å; D208-L211 HydrophobicContact CB-CB 4.48Å; D208-L211 HydrophobicContact CB-CD1 3.96Å; D208-L211 HydrophobicContact CB-CG 4.06Å; D208-L211 PolarHBondContact O-N 3.35Å | ||
| 209 | I | 85.8 | Confident | 88 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 36% | 0.359 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.7 | 179.8 | -59.6 | 170.5 | 0 | 0 | 0 | 111.8 | K187 L191 L207 L211 V212 | K187-I209 VanDerWaalsContact CE-O 3.27Å; K187-I209 WeakPolarHBondContact CE-O 3.47Å; K187-I209 PolarHBondContact NZ-O 3.06Å; L191-I209 HydrophobicContact CD1-CG1 4.46Å; L191-I209 HydrophobicContact CD1-CG2 3.84Å; L207-I209 PolarHBondContact O-N 2.89Å; L207-I209 VanDerWaalsContact O-N 3.16Å; I209-L211 VanDerWaalsContact C-N 3.34Å; I209-V212 PolarHBondContact O-N 2.85Å |
| 210 | K | 85 | Confident | 88.4 | Confident | 184 Ų | 184 | 67.6 Ų | 67.6 | 80% | 0.8 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -30.9 | -179.6 | -62.4 | 175.9 | -177.8 | 170.1 | 0 | 112.4 | D208 V212 | D208-K210 PolarHBondContact O-N 2.82Å; D208-K210 VanDerWaalsContact O-N 3.08Å; D208-K210 VanDerWaalsContact OD1-CB 3.29Å; D208-K210 WeakPolarHBondContact OD1-CB 3.39Å; D208-K210 PolarHBondContact OD1-N 3.22Å; K210-V212 VanDerWaalsContact C-N 3.32Å |
| 211 | L | 86.2 | Confident | 88.7 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.6 | -179 | -60 | 179.8 | 0 | 0 | 0 | 112.8 | D208 I209 N213 H290 | D208-L211 HydrophobicContact CB-CB 4.48Å; D208-L211 HydrophobicContact CB-CD1 3.96Å; D208-L211 HydrophobicContact CB-CG 4.06Å; D208-L211 PolarHBondContact O-N 3.35Å; I209-L211 VanDerWaalsContact C-N 3.34Å; L211-N213 PolarHBondContact O-N 3.17Å; L211-H290 HydrophobicContact CD1-CB 4.37Å; L211-H290 VanDerWaalsContact CD1-ND1 3.32Å; L211-H290 WeakPolarHBondContact CD1-ND1 3.48Å |
| 212 | V | 89.6 | Confident | 89.1 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 9% | 0.085 | 30% | 0.302 | C | S | . | . | trans | -72.5 | 118.8 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | K187 L191 L207 I209 K210 I217 L318 | K187-V212 WeakPolarHBondContact CE-O 3.25Å; K187-V212 HydrophobicContact CG-CG1 4.3Å; K187-V212 PolarHBondContact NZ-O 3.23Å; L191-V212 HydrophobicContact CD2-CG2 4.43Å; L207-V212 HydrophobicContact CD1-CG2 4.23Å; L207-V212 HydrophobicContact CD2-CG2 3.62Å; L207-V212 HydrophobicContact CG-CG2 3.99Å; I209-V212 PolarHBondContact O-N 2.85Å; K210-V212 VanDerWaalsContact C-N 3.32Å; V212-I217 HydrophobicContact CG1-CD1 4.25Å; V212-L318 HydrophobicContact CG1-CD2 4.02Å | ||
| 213 | N | 91.1 | Very high | 89.4 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | trans | -94.5 | 116 | 177.6 | -169 | -29.4 | 0 | 0 | 0 | 111.3 | L211 K215 F216 | L211-N213 PolarHBondContact O-N 3.17Å; N213-K215 PolarHBondContact O-N 2.94Å; N213-K215 VanDerWaalsContact OD1-CB 3.31Å; N213-K215 WeakPolarHBondContact OD1-CB 3.33Å; N213-K215 PolarHBondContact OD1-N 3.14Å; N213-F216 HydrophobicContact CB-CD1 4.25Å; N213-F216 HydrophobicContact CB-CD2 3.64Å; N213-F216 HydrophobicContact CB-CE1 4.38Å; N213-F216 HydrophobicContact CB-CE2 3.78Å; N213-F216 HydrophobicContact CB-CG 3.87Å; N213-F216 HydrophobicContact CB-CZ 4.15Å; N213-F216 PolarHBondContact O-N 3.43Å | ||
| 214 | S | 91.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.5 | -36.5 | 176.7 | 44.6 | 0 | 0 | 0 | 0 | 113.3 | E183 F216 I217 I218 | E183-S214 WeakPolarHBondContact O-CB 3.28Å; E183-S214 PolarHBondContact OE2-OG 2.06Å; S214-F216 VanDerWaalsContact C-N 3.3Å; S214-F216 PolarHBondContact O-N 3.24Å; S214-I217 WeakPolarHBondContact O-CB 3.2Å; S214-I217 PolarHBondContact O-N 3.4Å; S214-I218 PolarHBondContact O-N 3.28Å |
| 215 | K | 92.3 | Very high | 90 | Very high | 122 Ų | 122 | 57.3 Ų | 57.3 | 53% | 0.53 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -32.7 | -177.7 | -62 | -178.1 | 170.6 | -178.8 | 0 | 112.2 | E183 N213 I217 H219 | E183-K215 WeakPolarHBondContact OE1-CE 3.18Å; E183-K215 WeakPolarHBondContact OE2-CE 3.28Å; N213-K215 PolarHBondContact O-N 2.94Å; N213-K215 VanDerWaalsContact OD1-CB 3.31Å; N213-K215 WeakPolarHBondContact OD1-CB 3.33Å; N213-K215 PolarHBondContact OD1-N 3.14Å; K215-I217 VanDerWaalsContact C-N 3.35Å; K215-H219 VanDerWaalsContact O-CB 3.25Å; K215-H219 WeakPolarHBondContact O-CB 3.34Å; K215-H219 PolarHBondContact O-N 3.2Å |
| 216 | F | 94.3 | Very high | 90.2 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.3 | -63.3 | -10.9 | 0 | 0 | 0 | 110.8 | N213 S214 H219 N220 P320 P321 | N213-F216 HydrophobicContact CB-CD1 4.25Å; N213-F216 HydrophobicContact CB-CD2 3.64Å; N213-F216 HydrophobicContact CB-CE1 4.38Å; N213-F216 HydrophobicContact CB-CE2 3.78Å; N213-F216 HydrophobicContact CB-CG 3.87Å; N213-F216 HydrophobicContact CB-CZ 4.15Å; N213-F216 PolarHBondContact O-N 3.43Å; S214-F216 VanDerWaalsContact C-N 3.3Å; S214-F216 PolarHBondContact O-N 3.24Å; F216-H219 PolarHBondContact O-N 3.38Å; F216-N220 WeakPolarHBondContact O-CB 3.2Å; F216-N220 PolarHBondContact O-N 3.45Å; F216-N220 PolarHBondContact O-ND2 3.44Å; F216-N220 VanDerWaalsContact O-ND2 3.17Å; F216-P320 HydrophobicContact CD2-CB 4.43Å; F216-P320 HydrophobicContact CD2-CG 4.36Å; F216-P320 HydrophobicContact CE2-CB 4.19Å; F216-P320 HydrophobicContact CE2-CG 4.04Å; F216-P321 HydrophobicContact CD1-CG 4.27Å |
| 217 | I | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -51.9 | 178.4 | -55.9 | 173.6 | 0 | 0 | 0 | 110.1 | W186 T190 V212 S214 K215 H219 N220 V221 L317 L318 | W186-I217 HydrophobicContact CE3-CG2 3.81Å; W186-I217 HydrophobicContact CZ3-CG2 4.47Å; T190-I217 HydrophobicContact CG2-CD1 4.29Å; T190-I217 HydrophobicContact CG2-CG2 4.48Å; V212-I217 HydrophobicContact CG1-CD1 4.25Å; S214-I217 WeakPolarHBondContact O-CB 3.2Å; S214-I217 PolarHBondContact O-N 3.4Å; K215-I217 VanDerWaalsContact C-N 3.35Å; I217-H219 PolarHBondContact O-N 2.9Å; I217-N220 PolarHBondContact O-N 3.11Å; I217-V221 VanDerWaalsContact O-CG2 3.32Å; I217-V221 WeakPolarHBondContact O-CG2 3.27Å; I217-V221 PolarHBondContact O-N 3.05Å; I217-L317 HydrophobicContact CG2-CB 4.47Å; I217-L318 HydrophobicContact CD1-CD2 3.73Å; I217-L318 HydrophobicContact CG1-CD2 3.99Å |
| 218 | I | 94.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | -178.8 | -66.8 | 172.4 | 0 | 0 | 0 | 110.9 | E183 W186 S214 N220 V221 Y222 | E183-I218 HydrophobicContact CB-CD1 4.41Å; E183-I218 HydrophobicContact CG-CD1 3.78Å; W186-I218 HydrophobicContact CB-CD1 4.29Å; W186-I218 HydrophobicContact CB-CG1 4Å; W186-I218 HydrophobicContact CD2-CG1 4.07Å; W186-I218 HydrophobicContact CG-CD1 4.06Å; W186-I218 HydrophobicContact CG-CG1 3.61Å; S214-I218 PolarHBondContact O-N 3.28Å; I218-N220 VanDerWaalsContact C-N 3.32Å; I218-N220 PolarHBondContact O-N 3.29Å; I218-V221 PolarHBondContact O-N 3.45Å; I218-V221 VanDerWaalsContact O-N 3.13Å; I218-Y222 HydrophobicContact CG2-CD2 3.81Å; I218-Y222 HydrophobicContact CG2-CE2 4.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.45Å; I218-Y222 PolarHBondContact O-N 3.25Å |
| 219 | H | 94.3 | Very high | 90.4 | Very high | 28 Ų | 28 | 62 Ų | 62 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.5 | -179 | -72.6 | 0 | 0 | 0 | 111.4 | K215 F216 I217 V221 S223 I231 D233 P321 | K215-H219 VanDerWaalsContact O-CB 3.25Å; K215-H219 WeakPolarHBondContact O-CB 3.34Å; K215-H219 PolarHBondContact O-N 3.2Å; F216-H219 PolarHBondContact O-N 3.38Å; I217-H219 PolarHBondContact O-N 2.9Å; H219-V221 PolarHBondContact O-N 2.97Å; H219-S223 WeakPolarHBondContact O-CA 3.47Å; H219-S223 WeakPolarHBondContact O-CB 3.32Å; H219-S223 PolarHBondContact O-N 2.98Å; H219-I231 PolarHBondContact CE1-O 2.82Å; H219-I231 PolarHBondContact NE2-O 3.32Å; H219-D233 IonicContact CD2-OD2 3.97Å; H219-D233 IonicContact NE2-OD2 2.76Å; H219-P321 HydrophobicContact CB-CG 4.16Å; H219-P321 WeakPolarHBondContact ND1-CB 3.34Å; H219-P321 WeakPolarHBondContact ND1-CG 3.29Å |
| 220 | N | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -24.6 | 176.5 | -80.5 | -26.5 | 0 | 0 | 0 | 113.3 | F216 I217 I218 V224 L317 L319 R324 | F216-N220 WeakPolarHBondContact O-CB 3.2Å; F216-N220 PolarHBondContact O-N 3.45Å; F216-N220 PolarHBondContact O-ND2 3.44Å; F216-N220 VanDerWaalsContact O-ND2 3.17Å; I217-N220 PolarHBondContact O-N 3.11Å; I218-N220 VanDerWaalsContact C-N 3.32Å; I218-N220 PolarHBondContact O-N 3.29Å; N220-V224 WeakPolarHBondContact O-CG1 3.26Å; N220-L317 HydrophobicContact CB-CD2 3.97Å; N220-L317 PolarHBondContact ND2-O 3.38Å; N220-L319 PolarHBondContact ND2-O 3.38Å; N220-R324 PolarHBondContact O-NH1 3.43Å; N220-R324 WeakPolarHBondContact OD1-CD 3.27Å |
| 221 | V | 93.6 | Very high | 91 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -84.4 | -50 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | W186 I217 I218 H219 L317 V395 Q400 | W186-V221 HydrophobicContact CH2-CB 4.31Å; W186-V221 HydrophobicContact CH2-CG1 3.8Å; W186-V221 HydrophobicContact CH2-CG2 4.04Å; W186-V221 HydrophobicContact CZ2-CG1 4.44Å; W186-V221 HydrophobicContact CZ3-CB 4.45Å; W186-V221 HydrophobicContact CZ3-CG1 4.37Å; W186-V221 HydrophobicContact CZ3-CG2 3.75Å; I217-V221 VanDerWaalsContact O-CG2 3.32Å; I217-V221 WeakPolarHBondContact O-CG2 3.27Å; I217-V221 PolarHBondContact O-N 3.05Å; I218-V221 PolarHBondContact O-N 3.45Å; I218-V221 VanDerWaalsContact O-N 3.13Å; H219-V221 PolarHBondContact O-N 2.97Å; V221-L317 HydrophobicContact CG2-CD1 4.17Å; V221-L317 HydrophobicContact CG2-CD2 4.02Å; V221-V395 HydrophobicContact CB-CG1 4.3Å; V221-V395 HydrophobicContact CG1-CG1 3.99Å; V221-V395 HydrophobicContact CG2-CG1 4.09Å; V221-Q400 HydrophobicContact CG1-CB 4.47Å; V221-Q400 HydrophobicContact CG1-CG 4.06Å |
| 222 | Y | 93 | Very high | 91.2 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -95.5 | -30.5 | -169 | -67.5 | -69.5 | 0 | 0 | 0 | 114.5 | W186 I218 V224 E404 | W186-Y222 HydrophobicContact CH2-CE2 4.44Å; W186-Y222 AromaticContact CZ2-CE2 3.7Å; W186-Y222 HydrophobicContact CZ2-CE2 3.7Å; W186-Y222 AromaticContact CZ2-CZ 3.92Å; W186-Y222 WeakPolarHBondContact CZ2-OH 3.45Å; I218-Y222 HydrophobicContact CG2-CD2 3.81Å; I218-Y222 HydrophobicContact CG2-CE2 4.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.45Å; I218-Y222 PolarHBondContact O-N 3.25Å; Y222-V224 VanDerWaalsContact C-N 3.31Å; Y222-V224 PolarHBondContact O-N 3.26Å; Y222-V224 VanDerWaalsContact O-N 3.13Å; Y222-E404 WeakPolarHBondContact CE1-OE1 3.49Å; Y222-E404 WeakPolarHBondContact OH-CG 3.29Å; Y222-E404 PolarHBondContact OH-OE1 3.22Å |
| 223 | S | 92.8 | Very high | 90.9 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -90.9 | 61.7 | -177.9 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | H219 V230 I231 | H219-S223 WeakPolarHBondContact O-CA 3.47Å; H219-S223 WeakPolarHBondContact O-CB 3.32Å; H219-S223 PolarHBondContact O-N 2.98Å; S223-V230 CarbonylContact O-C 3.53Å; S223-V230 WeakPolarHBondContact O-CA 3.31Å; S223-I231 PolarHBondContact O-N 2.94Å |
| 224 | V | 91.8 | Very high | 90.7 | Very high | 44 Ų | 44 | 57 Ų | 57 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -122.4 | 145.2 | 179.8 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | N220 Y222 V229 V230 V395 | N220-V224 WeakPolarHBondContact O-CG1 3.26Å; Y222-V224 VanDerWaalsContact C-N 3.31Å; Y222-V224 PolarHBondContact O-N 3.26Å; Y222-V224 VanDerWaalsContact O-N 3.13Å; V224-V229 CarbonylContact C-O 3.55Å; V224-V229 WeakPolarHBondContact CA-O 3.29Å; V224-V230 HydrophobicContact CG1-CG2 4.38Å; V224-V395 HydrophobicContact CG1-CG2 4.26Å |
| 225 | S | 89.4 | Confident | 90.2 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | trans | -71.7 | 169.5 | 175.9 | 87.4 | 0 | 0 | 0 | 0 | 111.5 | Q227 G228 V229 | S225-Q227 PolarHBondContact O-N 3.4Å; S225-Q227 VanDerWaalsContact O-N 3.07Å; S225-Q227 PolarHBondContact OG-N 3.49Å; S225-Q227 VanDerWaalsContact OG-N 3.15Å; S225-Q227 PolarHBondContact OG-OE1 3.48Å; S225-G228 WeakPolarHBondContact O-CA 3.28Å; S225-G228 PolarHBondContact O-N 2.88Å; S225-V229 PolarHBondContact N-O 3.27Å; S225-V229 PolarHBondContact OG-N 3.49Å | ||
| 226 | K | 85 | Confident | 89.7 | Confident | 212 Ų | 212 | 63.5 Ų | 63.5 | 92% | 0.922 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26 | 172.9 | -64.7 | -175 | 179.1 | -178 | 0 | 113.4 | G228 | K226-G228 VanDerWaalsContact C-N 3.33Š|
| 227 | Q | 83.6 | Confident | 89.2 | Confident | 132 Ų | 132 | 64.9 Ų | 64.9 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.4 | 176.6 | -55.5 | 80.8 | 8.7 | 0 | 0 | 112.5 | S225 V229 R332 | S225-Q227 PolarHBondContact O-N 3.4Å; S225-Q227 VanDerWaalsContact O-N 3.07Å; S225-Q227 PolarHBondContact OG-N 3.49Å; S225-Q227 VanDerWaalsContact OG-N 3.15Å; S225-Q227 PolarHBondContact OG-OE1 3.48Å; Q227-V229 PolarHBondContact O-N 3.38Å; Q227-R332 PolarHBondContact O-NH2 2.8Å |
| 228 | G | 84.9 | Confident | 88.8 | Confident | 25 Ų | 25 | 67.9 Ų | 67.9 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 75.3 | 16.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | S225 K226 Q328 | S225-G228 WeakPolarHBondContact O-CA 3.28Å; S225-G228 PolarHBondContact O-N 2.88Å; K226-G228 VanDerWaalsContact C-N 3.33Å; G228-Q328 PolarHBondContact O-NE2 3.34Å |
| 229 | V | 90.3 | Very high | 88.6 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 130 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | V224 S225 Q227 I231 R325 R332 | V224-V229 CarbonylContact C-O 3.55Å; V224-V229 WeakPolarHBondContact CA-O 3.29Å; S225-V229 PolarHBondContact N-O 3.27Å; S225-V229 PolarHBondContact OG-N 3.49Å; Q227-V229 PolarHBondContact O-N 3.38Å; V229-I231 PolarHBondContact O-N 3.43Å; V229-R325 HydrophobicContact CG1-CG 4.26Å; V229-R332 VanDerWaalsContact CG2-NH2 3.33Å |
| 230 | V | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 126.7 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | S223 V224 L232 P321 R324 R325 | S223-V230 CarbonylContact O-C 3.53Å; S223-V230 WeakPolarHBondContact O-CA 3.31Å; V224-V230 HydrophobicContact CG1-CG2 4.38Å; V230-L232 HydrophobicContact CG1-CD2 4.38Å; V230-P321 HydrophobicContact CG1-CB 3.95Å; V230-R324 HydrophobicContact CG2-CB 4.34Å; V230-R324 HydrophobicContact CG2-CG 3.99Å; V230-R325 HydrophobicContact CB-CB 4.26Å; V230-R325 WeakPolarHBondContact O-CD 3.36Å; V230-R325 PolarHBondContact O-NH1 3.4Å |
| 231 | I | 91.5 | Very high | 88.3 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 127.2 | 176 | -60.3 | 171.2 | 0 | 0 | 0 | 107.6 | H219 S223 V229 | H219-I231 PolarHBondContact CE1-O 2.82Å; H219-I231 PolarHBondContact NE2-O 3.32Å; S223-I231 PolarHBondContact O-N 2.94Å; V229-I231 PolarHBondContact O-N 3.43Å |
| 232 | L | 90 | Very high | 88.3 | Confident | 27 Ų | 27 | 80 Ų | 80 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 134 | 177.4 | -57.7 | 176.5 | 0 | 0 | 0 | 110.1 | V230 D234 K237 P321 E322 | V230-L232 HydrophobicContact CG1-CD2 4.38Å; L232-D234 VanDerWaalsContact C-N 3.34Å; L232-K237 HydrophobicContact CD1-CB 4.34Å; L232-P321 HydrophobicContact CD2-CB 3.88Å; L232-E322 HydrophobicContact CD1-CB 4.44Å; L232-E322 HydrophobicContact CD2-CB 4.39Å |
| 233 | D | 84.4 | Confident | 88.4 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -66.7 | -39.3 | 172.7 | -63 | -33.4 | 0 | 0 | 0 | 111.3 | H219 | H219-D233 IonicContact CD2-OD2 3.97Å; H219-D233 IonicContact NE2-OD2 2.76Å |
| 234 | D | 85.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | trans | -96.7 | 109.3 | 178.1 | -177.5 | 1.8 | 0 | 0 | 0 | 111.2 | L232 S236 K237 | L232-D234 VanDerWaalsContact C-N 3.34Å; D234-S236 PolarHBondContact O-N 3.35Å; D234-S236 VanDerWaalsContact OD1-CB 3.29Å; D234-S236 WeakPolarHBondContact OD1-CB 3.23Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.26Å; D234-S236 PolarHBondContact OD2-OG 2.97Å; D234-K237 HydrophobicContact CB-CD 4.11Å; D234-K237 HydrophobicContact CB-CG 4.34Å; D234-K237 PolarHBondContact O-N 3.26Å | ||
| 235 | K | 81.9 | Confident | 88.3 | Confident | 175 Ų | 175 | 73.8 Ų | 73.8 | 76% | 0.761 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -66.9 | -20.7 | 178.8 | -64.5 | -175.8 | 179.4 | 179.1 | 0 | 113.5 | K237 E238 | K235-K237 PolarHBondContact O-N 3.15Å; K235-E238 VanDerWaalsContact O-CB 3.31Å; K235-E238 WeakPolarHBondContact O-CB 3.48Å; K235-E238 PolarHBondContact O-N 3.32Å |
| 236 | S | 82.6 | Confident | 88.4 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -69.4 | -23.7 | 179.3 | 74 | 0 | 0 | 0 | 0 | 112.8 | D234 E238 | D234-S236 PolarHBondContact O-N 3.35Å; D234-S236 VanDerWaalsContact OD1-CB 3.29Å; D234-S236 WeakPolarHBondContact OD1-CB 3.23Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.26Å; D234-S236 PolarHBondContact OD2-OG 2.97Å; S236-E238 VanDerWaalsContact C-N 3.31Å |
| 237 | K | 83.6 | Confident | 88.9 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -86.2 | -2.9 | 178.3 | -64.1 | 178.2 | 160.9 | -148.1 | 0 | 113.5 | L232 D234 K235 E322 | L232-K237 HydrophobicContact CD1-CB 4.34Å; D234-K237 HydrophobicContact CB-CD 4.11Å; D234-K237 HydrophobicContact CB-CG 4.34Å; D234-K237 PolarHBondContact O-N 3.26Å; K235-K237 PolarHBondContact O-N 3.15Å; K237-E322 VanDerWaalsContact CD-OE2 3.32Å; K237-E322 WeakPolarHBondContact CD-OE2 3.4Å; K237-E322 IonicContact NZ-OE2 3.05Å; K237-E322 PolarHBondContact NZ-OE2 2.79Å |
| 238 | E | 86 | Confident | 89.2 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -69.8 | 157.6 | 176.5 | -166.5 | 161.4 | -157 | 0 | 0 | 111.2 | K235 S236 L244 R325 | K235-E238 VanDerWaalsContact O-CB 3.31Å; K235-E238 WeakPolarHBondContact O-CB 3.48Å; K235-E238 PolarHBondContact O-N 3.32Å; S236-E238 VanDerWaalsContact C-N 3.31Å; E238-L244 HydrophobicContact CG-CD1 4.25Å; E238-R325 IonicContact OE1-CZ 2.64Å; E238-R325 IonicContact OE1-NE 3.95Å; E238-R325 PolarHBondContact OE1-NE 2.95Å; E238-R325 IonicContact OE1-NH2 3.7Å; E238-R325 PolarHBondContact OE1-NH2 3.15Å |
| 239 | L | 89.6 | Confident | 89.5 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 139.2 | 172 | -75.9 | 172 | 0 | 0 | 0 | 109.7 | H241 V243 L244 M247 Y278 K326 L329 | L239-H241 PolarHBondContact O-N 2.87Å; L239-V243 HydrophobicContact CD2-CG1 4.42Å; L239-L244 HydrophobicContact CB-CD1 4.27Å; L239-L244 HydrophobicContact CB-CD2 3.84Å; L239-L244 HydrophobicContact CB-CG 3.75Å; L239-L244 HydrophobicContact CD1-CD2 3.8Å; L239-L244 HydrophobicContact CG-CD2 4.44Å; L239-M247 HydrophobicContact CD1-SD 4.05Å; L239-Y278 HydrophobicContact CD2-CE1 3.45Å; L239-Y278 VanDerWaalsContact CD2-CE1 3.45Å; L239-Y278 WeakPolarHBondContact CD2-OH 3.26Å; L239-K326 HydrophobicContact CD1-CG 4.31Å; L239-K326 HydrophobicContact CD2-CD 4.16Å; L239-K326 HydrophobicContact CD2-CG 3.79Å; L239-K326 HydrophobicContact CG-CG 3.89Å; L239-L329 HydrophobicContact CD1-CD1 3.84Å |
| 240 | P | 92.7 | Very high | 89.5 | Confident | 47 Ų | 47 | 61 Ų | 61 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 139.8 | 174.4 | -25.2 | 32.8 | 0 | 0 | 0 | 110.9 | W242 V243 L244 Y278 | P240-W242 HydrophobicContact CB-CG 4.28Å; P240-W242 VanDerWaalsContact CB-NE1 3.3Å; P240-W242 PolarHBondContact O-N 2.99Å; P240-W242 VanDerWaalsContact O-N 3.11Å; P240-V243 HydrophobicContact CB-CG2 4.07Å; P240-V243 HydrophobicContact CG-CG2 4.13Å; P240-V243 WeakPolarHBondContact O-CB 3.33Å; P240-V243 PolarHBondContact O-N 3.48Å; P240-L244 PolarHBondContact O-N 2.79Å; P240-L244 VanDerWaalsContact O-N 3.15Å; P240-Y278 HydrophobicContact CG-CE2 4.05Å |
| 241 | H | 90.4 | Very high | 89.4 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 67% | 0.671 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -52 | -40.7 | -175.9 | -179.6 | -87.4 | 0 | 0 | 0 | 112.4 | L239 V243 L244 S245 | L239-H241 PolarHBondContact O-N 2.87Å; H241-V243 VanDerWaalsContact C-N 3.33Å; H241-V243 PolarHBondContact O-N 3.32Å; H241-L244 PolarHBondContact O-N 3.34Å; H241-S245 PolarHBondContact CE1-OG 3.19Å; H241-S245 VanDerWaalsContact CE1-OG 3.27Å; H241-S245 PolarHBondContact O-N 3.06Å; H241-S245 PolarHBondContact O-OG 3.16Å |
| 242 | W | 92.1 | Very high | 89.2 | Confident | 129 Ų | 129 | 62.1 Ų | 62.1 | 49% | 0.489 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 178.3 | 67.9 | -101.5 | 0 | 0 | 0 | 112.8 | P240 A246 T274 Y278 | P240-W242 HydrophobicContact CB-CG 4.28Å; P240-W242 VanDerWaalsContact CB-NE1 3.3Å; P240-W242 PolarHBondContact O-N 2.99Å; P240-W242 VanDerWaalsContact O-N 3.11Å; W242-A246 VanDerWaalsContact O-CB 3.29Å; W242-A246 WeakPolarHBondContact O-CB 3.29Å; W242-A246 PolarHBondContact O-N 2.95Å; W242-T274 HydrophobicContact CE3-CG2 4.32Å; W242-T274 HydrophobicContact CH2-CG2 4.25Å; W242-T274 HydrophobicContact CZ3-CG2 3.61Å; W242-Y278 AromaticContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CG 4.16Å; W242-Y278 AromaticContact CZ2-CD2 3.9Å; W242-Y278 HydrophobicContact CZ2-CD2 3.9Å |
| 243 | V | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | L239 P240 H241 S245 A246 M247 Y278 | L239-V243 HydrophobicContact CD2-CG1 4.42Å; P240-V243 HydrophobicContact CB-CG2 4.07Å; P240-V243 HydrophobicContact CG-CG2 4.13Å; P240-V243 WeakPolarHBondContact O-CB 3.33Å; P240-V243 PolarHBondContact O-N 3.48Å; H241-V243 VanDerWaalsContact C-N 3.33Å; H241-V243 PolarHBondContact O-N 3.32Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 3.44Å; V243-A246 PolarHBondContact O-N 2.94Å; V243-M247 HydrophobicContact CG1-CG 4.14Å; V243-M247 HydrophobicContact CG1-SD 3.88Å; V243-M247 WeakPolarHBondContact O-CB 3.39Å; V243-M247 VanDerWaalsContact O-CG 3.23Å; V243-M247 WeakPolarHBondContact O-CG 2.97Å; V243-M247 PolarHBondContact O-N 3.37Å; V243-Y278 HydrophobicContact CG1-CD1 4.02Å; V243-Y278 HydrophobicContact CG1-CE1 4.3Å; V243-Y278 HydrophobicContact CG1-CG 4.43Å; V243-Y278 HydrophobicContact CG2-CD1 4.08Å; V243-Y278 HydrophobicContact CG2-CD2 3.74Å; V243-Y278 HydrophobicContact CG2-CE1 4.32Å; V243-Y278 HydrophobicContact CG2-CE2 3.99Å; V243-Y278 HydrophobicContact CG2-CG 3.79Å |
| 244 | L | 92.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 179.2 | -71.1 | 174.2 | 0 | 0 | 0 | 112 | E238 L239 P240 H241 K248 L329 | E238-L244 HydrophobicContact CG-CD1 4.25Å; L239-L244 HydrophobicContact CB-CD1 4.27Å; L239-L244 HydrophobicContact CB-CD2 3.84Å; L239-L244 HydrophobicContact CB-CG 3.75Å; L239-L244 HydrophobicContact CD1-CD2 3.8Å; L239-L244 HydrophobicContact CG-CD2 4.44Å; P240-L244 PolarHBondContact O-N 2.79Å; P240-L244 VanDerWaalsContact O-N 3.15Å; H241-L244 PolarHBondContact O-N 3.34Å; L244-K248 WeakPolarHBondContact O-CB 3.42Å; L244-K248 VanDerWaalsContact O-CG 3.23Å; L244-K248 WeakPolarHBondContact O-CG 3.4Å; L244-K248 PolarHBondContact O-N 3.47Å; L244-L329 HydrophobicContact CD2-CD1 3.7Å |
| 245 | S | 90.6 | Very high | 88.4 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.2 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | H241 V243 K248 C249 | H241-S245 PolarHBondContact CE1-OG 3.19Å; H241-S245 VanDerWaalsContact CE1-OG 3.27Å; H241-S245 PolarHBondContact O-N 3.06Å; H241-S245 PolarHBondContact O-OG 3.16Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 3.44Å; S245-K248 PolarHBondContact O-N 2.95Å; S245-C249 WeakPolarHBondContact O-CB 3.32Å; S245-C249 PolarHBondContact O-N 3.47Å |
| 246 | A | 92.3 | Very high | 87.5 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W242 V243 K248 C249 L250 V271 I275 | W242-A246 VanDerWaalsContact O-CB 3.29Å; W242-A246 WeakPolarHBondContact O-CB 3.29Å; W242-A246 PolarHBondContact O-N 2.95Å; V243-A246 PolarHBondContact O-N 2.94Å; A246-K248 PolarHBondContact O-N 2.93Å; A246-C249 WeakPolarHBondContact O-CB 3.43Å; A246-C249 PolarHBondContact O-N 3.37Å; A246-C249 VanDerWaalsContact O-N 3.14Å; A246-L250 PolarHBondContact O-N 3.15Å; A246-V271 HydrophobicContact CB-CG1 3.83Å; A246-I275 HydrophobicContact CB-CD1 3.86Å; A246-I275 HydrophobicContact CB-CG1 3.78Å |
| 247 | M | 94.4 | Very high | 86.3 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.5 | -67.3 | 179.6 | 75.4 | 0 | 0 | 111.9 | L239 V243 C249 A251 I275 Y279 L329 L330 M333 | L239-M247 HydrophobicContact CD1-SD 4.05Å; V243-M247 HydrophobicContact CG1-CG 4.14Å; V243-M247 HydrophobicContact CG1-SD 3.88Å; V243-M247 WeakPolarHBondContact O-CB 3.39Å; V243-M247 VanDerWaalsContact O-CG 3.23Å; V243-M247 WeakPolarHBondContact O-CG 2.97Å; V243-M247 PolarHBondContact O-N 3.37Å; M247-C249 VanDerWaalsContact C-N 3.26Å; M247-C249 PolarHBondContact O-N 3.02Å; M247-A251 VanDerWaalsContact O-CB 3.25Å; M247-A251 WeakPolarHBondContact O-CB 3.4Å; M247-A251 PolarHBondContact O-N 3.08Å; M247-I275 HydrophobicContact CG-CD1 4.07Å; M247-I275 HydrophobicContact CG-CG1 4.33Å; M247-I275 HydrophobicContact CG-CG2 4.24Å; M247-Y279 HydrophobicContact SD-CE2 4.27Å; M247-L329 VanDerWaalsContact CE-C 3.48Å; M247-L329 HydrophobicContact CE-CB 4.07Å; M247-L329 WeakPolarHBondContact CE-O 3.39Å; M247-L330 HydrophobicContact CE-CB 4.32Å; M247-L330 HydrophobicContact CE-CD1 4.39Å; M247-M333 HydrophobicContact CB-CG 4.32Å; M247-M333 HydrophobicContact CB-SD 3.76Å; M247-M333 HydrophobicContact CE-CB 3.89Å; M247-M333 HydrophobicContact CE-CG 4.45Å; M247-M333 HydrophobicContact CE-SD 3.87Å; M247-M333 HydrophobicContact CG-SD 3.58Å; M247-M333 VanDerWaalsContact CG-SD 3.58Å |
| 248 | K | 91.5 | Very high | 85.1 | Confident | 112 Ų | 112 | 54.5 Ų | 54.5 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 175 | -76.8 | 173.5 | -177.3 | 178.4 | 0 | 111.8 | L244 S245 A246 A251 N252 | L244-K248 WeakPolarHBondContact O-CB 3.42Å; L244-K248 VanDerWaalsContact O-CG 3.23Å; L244-K248 WeakPolarHBondContact O-CG 3.4Å; L244-K248 PolarHBondContact O-N 3.47Å; S245-K248 PolarHBondContact O-N 2.95Å; A246-K248 PolarHBondContact O-N 2.93Å; K248-A251 PolarHBondContact O-N 3.26Å; K248-N252 WeakPolarHBondContact O-CB 3.1Å; K248-N252 PolarHBondContact O-N 3.48Å; K248-N252 VanDerWaalsContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.08Å |
| 249 | C | 89.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | -178.7 | -155.5 | 0 | 0 | 0 | 0 | 112.1 | S245 A246 M247 W253 C256 | S245-C249 WeakPolarHBondContact O-CB 3.32Å; S245-C249 PolarHBondContact O-N 3.47Å; A246-C249 WeakPolarHBondContact O-CB 3.43Å; A246-C249 PolarHBondContact O-N 3.37Å; A246-C249 VanDerWaalsContact O-N 3.14Å; M247-C249 VanDerWaalsContact C-N 3.26Å; M247-C249 PolarHBondContact O-N 3.02Å; C249-W253 PolarHBondContact O-N 3.33Å; C249-C256 WeakPolarHBondContact CA-SG 3.44Å; C249-C256 HydrophobicContact CB-CB 4.34Å; C249-C256 WeakPolarHBondContact CB-SG 3.42Å; C249-C256 WeakPolarHBondContact SG-CB 3.34Å; C249-C256 CovalentContact SG-SG 2.06Å; C249-C256 PolarHBondContact SG-SG 3.05Å |
| 250 | L | 90.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 176.6 | -62.3 | -177.1 | 0 | 0 | 0 | 112.2 | A246 N252 W253 E268 V271 F272 I275 I337 M343 | A246-L250 PolarHBondContact O-N 3.15Å; L250-N252 VanDerWaalsContact C-N 3.27Å; L250-N252 PolarHBondContact O-N 3.42Å; L250-W253 PolarHBondContact O-N 2.92Å; L250-E268 HydrophobicContact CD2-CB 4.28Å; L250-V271 HydrophobicContact CD1-CG1 4.03Å; L250-V271 HydrophobicContact CD2-CB 4.15Å; L250-V271 HydrophobicContact CD2-CG1 3.93Å; L250-V271 HydrophobicContact CG-CB 4.45Å; L250-V271 HydrophobicContact CG-CG1 3.73Å; L250-F272 HydrophobicContact CD1-CB 3.9Å; L250-F272 HydrophobicContact CD1-CD2 4.22Å; L250-I275 HydrophobicContact CD1-CD1 3.59Å; L250-I275 HydrophobicContact CG-CD1 4.32Å; L250-I337 HydrophobicContact CB-CD1 3.69Å; L250-I337 HydrophobicContact CB-CG1 4.08Å; L250-I337 HydrophobicContact CD1-CD1 4.15Å; L250-M343 HydrophobicContact CD2-CE 4.17Å |
| 251 | A | 90.8 | Very high | 80.4 | Confident | 18 Ų | 18 | 69 Ų | 69 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.5 | -27.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M247 K248 M333 R336 | M247-A251 VanDerWaalsContact O-CB 3.25Å; M247-A251 WeakPolarHBondContact O-CB 3.4Å; M247-A251 PolarHBondContact O-N 3.08Å; K248-A251 PolarHBondContact O-N 3.26Å; A251-M333 HydrophobicContact CB-CG 4.43Å; A251-R336 HydrophobicContact CB-CB 4.01Å; A251-R336 HydrophobicContact CB-CG 4.43Å |
| 252 | N | 88.4 | Confident | 78.6 | Confident | 89 Ų | 89 | 68 Ų | 68 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 19.1 | -178.9 | -62.2 | -34.6 | 0 | 0 | 0 | 112.9 | K248 L250 N255 | K248-N252 WeakPolarHBondContact O-CB 3.1Å; K248-N252 PolarHBondContact O-N 3.48Å; K248-N252 VanDerWaalsContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.08Å; L250-N252 VanDerWaalsContact C-N 3.27Å; L250-N252 PolarHBondContact O-N 3.42Å; N252-N255 CarbonylContact O-C 3.52Å; N252-N255 PolarHBondContact O-N 2.87Å |
| 253 | W | 87.2 | Confident | 77.3 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.9 | -179.6 | -175.2 | -89.6 | 0 | 0 | 0 | 112 | C249 L250 M263 F267 E268 N340 E342 M343 P344 | C249-W253 PolarHBondContact O-N 3.33Å; L250-W253 PolarHBondContact O-N 2.92Å; W253-M263 HydrophobicContact CE3-SD 4.38Å; W253-M263 HydrophobicContact CH2-CE 4.33Å; W253-M263 HydrophobicContact CH2-SD 3.48Å; W253-M263 WeakPolarHBondContact CH2-SD 3.49Å; W253-M263 HydrophobicContact CZ2-SD 4.23Å; W253-M263 HydrophobicContact CZ3-SD 3.57Å; W253-M263 VanDerWaalsContact CZ3-SD 3.57Å; W253-F267 HydrophobicContact CH2-CD1 4.37Å; W253-F267 AromaticContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CE1 4.39Å; W253-E268 HydrophobicContact CH2-CB 4.08Å; W253-E268 HydrophobicContact CZ3-CB 4.09Å; W253-N340 PolarHBondContact O-ND2 3.47Å; W253-E342 PolarHBondContact NE1-O 2.63Å; W253-M343 HydrophobicContact CB-SD 3.78Å; W253-M343 HydrophobicContact CD2-CE 4.43Å; W253-M343 HydrophobicContact CD2-SD 4.35Å; W253-M343 HydrophobicContact CG-CE 4.44Å; W253-M343 HydrophobicContact CG-SD 3.77Å; W253-P344 HydrophobicContact CZ2-CG 4.22Å; W253-P344 VanDerWaalsContact NE1-CD 3.27Å |
| 254 | P | 80.1 | Confident | 76.7 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 25% | 0.253 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.1 | -2.6 | -2.2 | 34.1 | -34.7 | 0 | 0 | 0 | 114.2 | C256 M263 | P254-C256 VanDerWaalsContact C-N 3.27Å; P254-C256 PolarHBondContact O-N 3.32Å; P254-M263 HydrophobicContact CB-CE 4.45Å |
| 255 | N | 73.9 | Confident | 76 | Confident | 121 Ų | 121 | 79.8 Ų | 79.8 | 65% | 0.647 | 42% | 0.419 | S | S | * | . | trans | -83.3 | 63.8 | -170.9 | -69.5 | -28.3 | 0 | 0 | 0 | 112.6 | N252 S257 | N252-N255 CarbonylContact O-C 3.52Å; N252-N255 PolarHBondContact O-N 2.87Å; N255-S257 PolarHBondContact O-N 3.15Å | ||
| 256 | C | 64.9 | Low | 75.7 | Confident | 25 Ų | 25 | 79.1 Ų | 79.1 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | trans | -78.4 | 87.5 | 179.1 | -159.8 | 0 | 0 | 0 | 0 | 110.3 | C249 P254 D258 L259 | C249-C256 WeakPolarHBondContact CA-SG 3.44Å; C249-C256 HydrophobicContact CB-CB 4.34Å; C249-C256 WeakPolarHBondContact CB-SG 3.42Å; C249-C256 WeakPolarHBondContact SG-CB 3.34Å; C249-C256 CovalentContact SG-SG 2.06Å; C249-C256 PolarHBondContact SG-SG 3.05Å; P254-C256 VanDerWaalsContact C-N 3.27Å; P254-C256 PolarHBondContact O-N 3.32Å; C256-D258 PolarHBondContact O-N 3.36Å; C256-L259 PolarHBondContact O-N 3.44Å | ||
| 257 | S | 56.2 | Low | 75.5 | Confident | 114 Ų | 114 | 79.8 Ų | 79.8 | 80% | 0.797 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23 | -170.8 | -46.4 | 0 | 0 | 0 | 0 | 115.2 | N255 | N255-S257 PolarHBondContact O-N 3.15Š|
| 258 | D | 57.8 | Low | 75.3 | Confident | 118 Ų | 118 | 80.3 Ų | 80.3 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -15.3 | -175.6 | -68 | -28.3 | 0 | 0 | 0 | 113.6 | C256 | C256-D258 PolarHBondContact O-N 3.36Š|
| 259 | L | 58.9 | Low | 75.3 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | trans | -108.1 | 93.3 | -177.6 | -71.2 | 172.2 | 0 | 0 | 0 | 110.1 | C256 Q261 F267 | C256-L259 PolarHBondContact O-N 3.44Å; L259-Q261 PolarHBondContact O-N 2.88Å; L259-F267 HydrophobicContact CD1-CE1 4.27Å; L259-F267 HydrophobicContact CD1-CZ 3.7Å | ||
| 260 | K | 55.5 | Low | 75.4 | Confident | 211 Ų | 211 | 81.5 Ų | 81.5 | 92% | 0.917 | 43% | 0.429 | S | S | * | . | trans | -69.4 | 10.7 | 167.3 | -63.8 | -175.9 | 179.5 | -179.1 | 0 | 113.3 | ||||
| 261 | Q | 55.1 | Low | 75.5 | Confident | 141 Ų | 141 | 82.1 Ų | 82.1 | 66% | 0.659 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -90.8 | 141.8 | -176.8 | -77.2 | 179.7 | -19.9 | 0 | 0 | 110.7 | L259 M263 | L259-Q261 PolarHBondContact O-N 2.88Å; Q261-M263 PolarHBondContact O-N 3.16Å |
| 262 | P | 52.8 | Low | 75.6 | Confident | 123 Ų | 123 | 82 Ų | 82 | 80% | 0.799 | 43% | 0.429 | S | S | * | . | trans | -62.5 | 122.8 | 173.1 | 24.9 | -30.6 | 0 | 0 | 0 | 109.5 | Y264 | P262-Y264 PolarHBondContact O-N 2.92Š| ||
| 263 | M | 66.1 | Low | 75.9 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | trans | -69.7 | 115.5 | 174 | -62.2 | -177.6 | -65.5 | 0 | 0 | 108.2 | W253 P254 Q261 F267 | W253-M263 HydrophobicContact CE3-SD 4.38Å; W253-M263 HydrophobicContact CH2-CE 4.33Å; W253-M263 HydrophobicContact CH2-SD 3.48Å; W253-M263 WeakPolarHBondContact CH2-SD 3.49Å; W253-M263 HydrophobicContact CZ2-SD 4.23Å; W253-M263 HydrophobicContact CZ3-SD 3.57Å; W253-M263 VanDerWaalsContact CZ3-SD 3.57Å; P254-M263 HydrophobicContact CB-CE 4.45Å; Q261-M263 PolarHBondContact O-N 3.16Å; M263-F267 HydrophobicContact CB-CD1 4.46Å; M263-F267 HydrophobicContact CG-CD1 4.17Å | ||
| 264 | Y | 80.8 | Confident | 76.3 | Confident | 132 Ų | 132 | 85.5 Ų | 85.5 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | trans | -78 | 162.8 | 170.2 | 60.1 | -91.1 | 0 | 0 | 0 | 110.3 | P262 G266 F267 D270 | P262-Y264 PolarHBondContact O-N 2.92Å; Y264-G266 PolarHBondContact O-N 2.98Å; Y264-F267 HydrophobicContact CD1-CB 4.34Å; Y264-F267 HydrophobicContact CD1-CD2 4.4Å; Y264-F267 HydrophobicContact CD2-CB 4.26Å; Y264-F267 HydrophobicContact CE1-CB 4.16Å; Y264-F267 AromaticContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CG 4.37Å; Y264-F267 HydrophobicContact CE2-CB 4.06Å; Y264-F267 HydrophobicContact CG-CB 4.38Å; Y264-F267 AromaticContact CZ-CD2 3.86Å; Y264-F267 VanDerWaalsContact O-CB 3.28Å; Y264-F267 WeakPolarHBondContact O-CB 3.5Å; Y264-F267 PolarHBondContact O-N 3.44Å; Y264-D270 PolarHBondContact OH-OD2 3.07Å | ||
| 265 | L | 78.8 | Confident | 77 | Confident | 177 Ų | 177 | 83.6 Ų | 83.6 | 93% | 0.927 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 123.6 | 179.3 | -67.8 | 168.7 | 0 | 0 | 0 | 110.8 | ||
| 266 | G | 84 | Confident | 78.1 | Confident | 21 Ų | 21 | 78.7 Ų | 78.7 | 22% | 0.216 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 1.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y264 E268 K269 D270 | Y264-G266 PolarHBondContact O-N 2.98Å; G266-E268 WeakPolarHBondContact CA-OE2 3.37Å; G266-E268 PolarHBondContact O-N 2.91Å; G266-K269 WeakPolarHBondContact O-CB 3.4Å; G266-K269 PolarHBondContact O-N 2.78Å; G266-D270 PolarHBondContact O-N 3.28Å |
| 267 | F | 88.4 | Confident | 79.5 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -50.9 | -39.7 | 175.9 | 171.2 | -104.9 | 0 | 0 | 0 | 112.6 | W253 L259 M263 Y264 K269 D270 V271 | W253-F267 HydrophobicContact CH2-CD1 4.37Å; W253-F267 AromaticContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CE1 4.39Å; L259-F267 HydrophobicContact CD1-CE1 4.27Å; L259-F267 HydrophobicContact CD1-CZ 3.7Å; M263-F267 HydrophobicContact CB-CD1 4.46Å; M263-F267 HydrophobicContact CG-CD1 4.17Å; Y264-F267 HydrophobicContact CD1-CB 4.34Å; Y264-F267 HydrophobicContact CD1-CD2 4.4Å; Y264-F267 HydrophobicContact CD2-CB 4.26Å; Y264-F267 HydrophobicContact CE1-CB 4.16Å; Y264-F267 AromaticContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CG 4.37Å; Y264-F267 HydrophobicContact CE2-CB 4.06Å; Y264-F267 HydrophobicContact CG-CB 4.38Å; Y264-F267 AromaticContact CZ-CD2 3.86Å; Y264-F267 VanDerWaalsContact O-CB 3.28Å; Y264-F267 WeakPolarHBondContact O-CB 3.5Å; Y264-F267 PolarHBondContact O-N 3.44Å; F267-K269 VanDerWaalsContact C-N 3.29Å; F267-K269 PolarHBondContact O-N 2.97Å; F267-D270 PolarHBondContact O-N 2.99Å; F267-V271 HydrophobicContact CD1-CG2 4.2Å; F267-V271 HydrophobicContact CD2-CG2 4.08Å; F267-V271 HydrophobicContact CE1-CG2 3.73Å; F267-V271 HydrophobicContact CE2-CG2 3.61Å; F267-V271 HydrophobicContact CG-CG2 4.36Å; F267-V271 HydrophobicContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact O-CG2 3.28Å; F267-V271 WeakPolarHBondContact O-CG2 3.46Å; F267-V271 PolarHBondContact O-N 3.46Å |
| 268 | E | 89.7 | Confident | 81.4 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -36.1 | 177.3 | 71.6 | -76.8 | 176.1 | 0 | 0 | 113.4 | L250 W253 G266 F272 M343 P344 L346 | L250-E268 HydrophobicContact CD2-CB 4.28Å; W253-E268 HydrophobicContact CH2-CB 4.08Å; W253-E268 HydrophobicContact CZ3-CB 4.09Å; G266-E268 WeakPolarHBondContact CA-OE2 3.37Å; G266-E268 PolarHBondContact O-N 2.91Å; E268-F272 VanDerWaalsContact O-CB 3.27Å; E268-F272 WeakPolarHBondContact O-CB 3.26Å; E268-F272 PolarHBondContact O-N 3.31Å; E268-M343 HydrophobicContact CB-CE 3.67Å; E268-M343 HydrophobicContact CG-CE 4.01Å; E268-P344 HydrophobicContact CG-CG 3.81Å; E268-L346 HydrophobicContact CB-CD2 4.02Å; E268-L346 HydrophobicContact CG-CD2 3.8Å |
| 269 | K | 91.6 | Very high | 83.2 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 27% | 0.265 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | -177.9 | -62.9 | -172.2 | 173.7 | -179.3 | 0 | 109.1 | G266 F267 F272 K273 P345 D348 | G266-K269 WeakPolarHBondContact O-CB 3.4Å; G266-K269 PolarHBondContact O-N 2.78Å; F267-K269 VanDerWaalsContact C-N 3.29Å; F267-K269 PolarHBondContact O-N 2.97Å; K269-F272 PolarHBondContact O-N 3.46Å; K269-K273 VanDerWaalsContact O-CB 3.28Å; K269-K273 WeakPolarHBondContact O-CB 3.33Å; K269-K273 PolarHBondContact O-N 2.88Å; K269-P345 WeakPolarHBondContact CE-O 3.29Å; K269-D348 IonicContact NZ-OD1 2.79Å; K269-D348 PolarHBondContact NZ-OD1 3.44Å; K269-D348 VanDerWaalsContact NZ-OD1 3.11Å; K269-D348 IonicContact NZ-OD2 3.92Å; K269-D348 PolarHBondContact NZ-OD2 3.42Å |
| 270 | D | 91.5 | Very high | 84.8 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 177.2 | -68.5 | -26.2 | 0 | 0 | 0 | 111.9 | Y264 G266 F267 K273 T274 | Y264-D270 PolarHBondContact OH-OD2 3.07Å; G266-D270 PolarHBondContact O-N 3.28Å; F267-D270 PolarHBondContact O-N 2.99Å; D270-K273 PolarHBondContact O-N 3.38Å; D270-T274 WeakPolarHBondContact O-CB 3.39Å; D270-T274 PolarHBondContact O-N 3Å; D270-T274 PolarHBondContact O-OG1 3.1Å |
| 271 | V | 92.2 | Very high | 86.5 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.085 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | A246 L250 F267 T274 I275 | A246-V271 HydrophobicContact CB-CG1 3.83Å; L250-V271 HydrophobicContact CD1-CG1 4.03Å; L250-V271 HydrophobicContact CD2-CB 4.15Å; L250-V271 HydrophobicContact CD2-CG1 3.93Å; L250-V271 HydrophobicContact CG-CB 4.45Å; L250-V271 HydrophobicContact CG-CG1 3.73Å; F267-V271 HydrophobicContact CD1-CG2 4.2Å; F267-V271 HydrophobicContact CD2-CG2 4.08Å; F267-V271 HydrophobicContact CE1-CG2 3.73Å; F267-V271 HydrophobicContact CE2-CG2 3.61Å; F267-V271 HydrophobicContact CG-CG2 4.36Å; F267-V271 HydrophobicContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact O-CG2 3.28Å; F267-V271 WeakPolarHBondContact O-CG2 3.46Å; F267-V271 PolarHBondContact O-N 3.46Å; V271-T274 PolarHBondContact O-N 3.33Å; V271-I275 HydrophobicContact CG1-CD1 4.13Å; V271-I275 WeakPolarHBondContact O-CG1 3.49Å; V271-I275 PolarHBondContact O-N 3.47Å; V271-I275 VanDerWaalsContact O-N 3.1Å |
| 272 | F | 94.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 176.4 | 176.7 | -102.8 | 0 | 0 | 0 | 111.7 | L250 E268 K269 T274 I275 A276 L346 L355 M356 T359 F360 | L250-F272 HydrophobicContact CD1-CB 3.9Å; L250-F272 HydrophobicContact CD1-CD2 4.22Å; E268-F272 VanDerWaalsContact O-CB 3.27Å; E268-F272 WeakPolarHBondContact O-CB 3.26Å; E268-F272 PolarHBondContact O-N 3.31Å; K269-F272 PolarHBondContact O-N 3.46Å; F272-T274 VanDerWaalsContact C-N 3.32Å; F272-T274 PolarHBondContact O-N 3.04Å; F272-I275 PolarHBondContact O-N 2.94Å; F272-A276 WeakPolarHBondContact O-CB 3.42Å; F272-A276 PolarHBondContact O-N 3.21Å; F272-L346 HydrophobicContact CB-CD1 4.34Å; F272-L346 HydrophobicContact CB-CD2 3.93Å; F272-L346 HydrophobicContact CD2-CD1 3.81Å; F272-L346 HydrophobicContact CE2-CD1 4.26Å; F272-L346 HydrophobicContact CG-CD1 3.97Å; F272-L346 HydrophobicContact CG-CD2 4.36Å; F272-L355 HydrophobicContact CD1-CD2 4.45Å; F272-L355 HydrophobicContact CE1-CD1 4.32Å; F272-L355 HydrophobicContact CE1-CD2 3.8Å; F272-L355 HydrophobicContact CE1-CG 4Å; F272-L355 HydrophobicContact CZ-CD2 4.01Å; F272-L355 HydrophobicContact CZ-CG 3.95Å; F272-M356 HydrophobicContact CD2-CE 3.84Å; F272-M356 HydrophobicContact CE2-CE 3.33Å; F272-M356 HydrophobicContact CE2-SD 3.82Å; F272-M356 HydrophobicContact CZ-CE 4.09Å; F272-T359 HydrophobicContact CE1-CG2 4.34Å; F272-T359 HydrophobicContact CZ-CG2 3.9Å; F272-F360 AromaticContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CZ 4.1Å; F272-F360 HydrophobicContact CZ-CE2 4.36Å |
| 273 | K | 94.2 | Very high | 89.9 | Confident | 125 Ų | 125 | 68.7 Ų | 68.7 | 54% | 0.543 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 177 | -175.2 | 176.6 | 179 | -178.7 | 0 | 111.7 | K269 D270 I275 A276 D277 | K269-K273 VanDerWaalsContact O-CB 3.28Å; K269-K273 WeakPolarHBondContact O-CB 3.33Å; K269-K273 PolarHBondContact O-N 2.88Å; D270-K273 PolarHBondContact O-N 3.38Å; K273-I275 VanDerWaalsContact C-N 3.3Å; K273-I275 PolarHBondContact O-N 3.47Å; K273-A276 WeakPolarHBondContact O-CB 3.41Å; K273-A276 PolarHBondContact O-N 3.42Å; K273-D277 WeakPolarHBondContact O-CB 3.1Å; K273-D277 PolarHBondContact O-N 2.93Å |
| 274 | T | 94.8 | Very high | 91 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 178.2 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | W242 D270 V271 F272 Y278 | W242-T274 HydrophobicContact CE3-CG2 4.32Å; W242-T274 HydrophobicContact CH2-CG2 4.25Å; W242-T274 HydrophobicContact CZ3-CG2 3.61Å; D270-T274 WeakPolarHBondContact O-CB 3.39Å; D270-T274 PolarHBondContact O-N 3Å; D270-T274 PolarHBondContact O-OG1 3.1Å; V271-T274 PolarHBondContact O-N 3.33Å; F272-T274 VanDerWaalsContact C-N 3.32Å; F272-T274 PolarHBondContact O-N 3.04Å; T274-Y278 PolarHBondContact O-N 2.79Å; T274-Y278 VanDerWaalsContact O-N 3.09Å |
| 275 | I | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 174.8 | -62.7 | 162.4 | 0 | 0 | 0 | 110.5 | A246 M247 L250 V271 F272 K273 D277 Y278 Y279 M333 F360 | A246-I275 HydrophobicContact CB-CD1 3.86Å; A246-I275 HydrophobicContact CB-CG1 3.78Å; M247-I275 HydrophobicContact CG-CD1 4.07Å; M247-I275 HydrophobicContact CG-CG1 4.33Å; M247-I275 HydrophobicContact CG-CG2 4.24Å; L250-I275 HydrophobicContact CD1-CD1 3.59Å; L250-I275 HydrophobicContact CG-CD1 4.32Å; V271-I275 HydrophobicContact CG1-CD1 4.13Å; V271-I275 WeakPolarHBondContact O-CG1 3.49Å; V271-I275 PolarHBondContact O-N 3.47Å; V271-I275 VanDerWaalsContact O-N 3.1Å; F272-I275 PolarHBondContact O-N 2.94Å; K273-I275 VanDerWaalsContact C-N 3.3Å; K273-I275 PolarHBondContact O-N 3.47Å; I275-D277 VanDerWaalsContact C-N 3.33Å; I275-D277 PolarHBondContact O-N 2.91Å; I275-Y278 WeakPolarHBondContact O-CB 3.2Å; I275-Y278 PolarHBondContact O-N 3.41Å; I275-Y279 HydrophobicContact CG2-CD2 3.86Å; I275-Y279 HydrophobicContact CG2-CE2 3.94Å; I275-Y279 WeakPolarHBondContact O-CD2 3.17Å; I275-Y279 PolarHBondContact O-N 2.91Å; I275-Y279 VanDerWaalsContact O-N 3.12Å; I275-M333 HydrophobicContact CD1-SD 3.99Å; I275-M333 HydrophobicContact CG2-CE 4.25Å; I275-M333 HydrophobicContact CG2-SD 4.29Å; I275-F360 HydrophobicContact CG2-CE1 4.26Å; I275-F360 HydrophobicContact CG2-CZ 4.08Å |
| 276 | A | 95.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -46 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F272 K273 Y278 Y279 G280 T359 | F272-A276 WeakPolarHBondContact O-CB 3.42Å; F272-A276 PolarHBondContact O-N 3.21Å; K273-A276 WeakPolarHBondContact O-CB 3.41Å; K273-A276 PolarHBondContact O-N 3.42Å; A276-Y278 PolarHBondContact O-N 3.4Å; A276-Y279 PolarHBondContact O-N 3.23Å; A276-G280 PolarHBondContact O-N 2.91Å; A276-T359 HydrophobicContact CB-CG2 3.49Å; A276-T359 VanDerWaalsContact CB-CG2 3.49Å |
| 277 | D | 96.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.4 | -69.3 | -20.4 | 0 | 0 | 0 | 110.3 | K273 I275 Y279 G280 H281 | K273-D277 WeakPolarHBondContact O-CB 3.1Å; K273-D277 PolarHBondContact O-N 2.93Å; I275-D277 VanDerWaalsContact C-N 3.33Å; I275-D277 PolarHBondContact O-N 2.91Å; D277-Y279 PolarHBondContact O-N 3.15Å; D277-G280 PolarHBondContact O-N 3.21Å; D277-H281 PolarHBondContact O-N 3.05Å; D277-H281 PolarHBondContact O-ND1 3.37Å |
| 278 | Y | 95.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 18% | 0.18 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.6 | -50.4 | 177 | 175.4 | -99.8 | 0 | 0 | 0 | 112.8 | L239 P240 W242 V243 T274 I275 A276 H281 | L239-Y278 HydrophobicContact CD2-CE1 3.45Å; L239-Y278 VanDerWaalsContact CD2-CE1 3.45Å; L239-Y278 WeakPolarHBondContact CD2-OH 3.26Å; P240-Y278 HydrophobicContact CG-CE2 4.05Å; W242-Y278 AromaticContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CG 4.16Å; W242-Y278 AromaticContact CZ2-CD2 3.9Å; W242-Y278 HydrophobicContact CZ2-CD2 3.9Å; V243-Y278 HydrophobicContact CG1-CD1 4.02Å; V243-Y278 HydrophobicContact CG1-CE1 4.3Å; V243-Y278 HydrophobicContact CG1-CG 4.43Å; V243-Y278 HydrophobicContact CG2-CD1 4.08Å; V243-Y278 HydrophobicContact CG2-CD2 3.74Å; V243-Y278 HydrophobicContact CG2-CE1 4.32Å; V243-Y278 HydrophobicContact CG2-CE2 3.99Å; V243-Y278 HydrophobicContact CG2-CG 3.79Å; T274-Y278 PolarHBondContact O-N 2.79Å; T274-Y278 VanDerWaalsContact O-N 3.09Å; I275-Y278 WeakPolarHBondContact O-CB 3.2Å; I275-Y278 PolarHBondContact O-N 3.41Å; A276-Y278 PolarHBondContact O-N 3.4Å; Y278-H281 PolarHBondContact O-N 3.35Å |
| 279 | Y | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.2 | -29.1 | -179 | -80.3 | -80.5 | 0 | 0 | 0 | 112.7 | M247 I275 A276 D277 H281 L282 L286 L330 F360 C363 | M247-Y279 HydrophobicContact SD-CE2 4.27Å; I275-Y279 HydrophobicContact CG2-CD2 3.86Å; I275-Y279 HydrophobicContact CG2-CE2 3.94Å; I275-Y279 WeakPolarHBondContact O-CD2 3.17Å; I275-Y279 PolarHBondContact O-N 2.91Å; I275-Y279 VanDerWaalsContact O-N 3.12Å; A276-Y279 PolarHBondContact O-N 3.23Å; D277-Y279 PolarHBondContact O-N 3.15Å; Y279-H281 VanDerWaalsContact C-N 3.31Å; Y279-L282 HydrophobicContact CD1-CD1 3.62Å; Y279-L282 HydrophobicContact CE1-CD1 4.3Å; Y279-L282 HydrophobicContact CG-CD1 4.46Å; Y279-L282 WeakPolarHBondContact O-CB 3.38Å; Y279-L282 WeakPolarHBondContact O-CG 3.26Å; Y279-L282 PolarHBondContact O-N 3.28Å; Y279-L286 HydrophobicContact CD1-CD1 4.31Å; Y279-L286 HydrophobicContact CE1-CD1 4.03Å; Y279-L286 HydrophobicContact CE1-CD2 4.42Å; Y279-L330 HydrophobicContact CD1-CD2 4.18Å; Y279-L330 HydrophobicContact CD2-CD1 4.34Å; Y279-L330 HydrophobicContact CE1-CD2 4.03Å; Y279-L330 HydrophobicContact CE2-CD1 4Å; Y279-F360 HydrophobicContact CD2-CD1 4.47Å; Y279-F360 AromaticContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CG-CD1 4.37Å; Y279-F360 HydrophobicContact CG-CE1 4.26Å; Y279-C363 VanDerWaalsContact O-CB 3.29Å; Y279-C363 WeakPolarHBondContact O-CB 3.16Å |
| 280 | G | 91.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.7 | -26.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A276 D277 L282 | A276-G280 PolarHBondContact O-N 2.91Å; D277-G280 PolarHBondContact O-N 3.21Å; G280-L282 VanDerWaalsContact C-N 3.34Å |
| 281 | H | 92.4 | Very high | 93.1 | Very high | 151 Ų | 151 | 52.4 Ų | 52.4 | 70% | 0.699 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.1 | 176.7 | -68.2 | 95.6 | 0 | 0 | 0 | 114 | D277 Y278 Y279 K283 | D277-H281 PolarHBondContact O-N 3.05Å; D277-H281 PolarHBondContact O-ND1 3.37Å; Y278-H281 PolarHBondContact O-N 3.35Å; Y279-H281 VanDerWaalsContact C-N 3.31Å; H281-K283 PolarHBondContact O-N 3.4Å |
| 282 | L | 90.8 | Very high | 93 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | trans | -65.9 | 130.5 | 174.8 | -66.7 | 178.5 | 0 | 0 | 0 | 110.3 | Y279 G280 E284 L286 | Y279-L282 HydrophobicContact CD1-CD1 3.62Å; Y279-L282 HydrophobicContact CE1-CD1 4.3Å; Y279-L282 HydrophobicContact CG-CD1 4.46Å; Y279-L282 WeakPolarHBondContact O-CB 3.38Å; Y279-L282 WeakPolarHBondContact O-CG 3.26Å; Y279-L282 PolarHBondContact O-N 3.28Å; G280-L282 VanDerWaalsContact C-N 3.34Å; L282-E284 VanDerWaalsContact C-N 3.26Å; L282-E284 PolarHBondContact O-N 3.27Å; L282-L286 HydrophobicContact CD1-CD2 4Å; L282-L286 HydrophobicContact CD1-CG 4.39Å | ||
| 283 | K | 87.6 | Confident | 92.8 | Very high | 209 Ų | 209 | 56.1 Ų | 56.1 | 91% | 0.909 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -70.2 | -24.1 | 179.2 | -64.6 | -175.5 | 179.4 | -178 | 0 | 113.3 | H281 | H281-K283 PolarHBondContact O-N 3.4Š|
| 284 | E | 90.5 | Very high | 92.7 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -136 | 142 | -177.7 | -171.8 | 178.4 | -170.7 | 0 | 0 | 108.8 | L282 T288 F289 | L282-E284 VanDerWaalsContact C-N 3.26Å; L282-E284 PolarHBondContact O-N 3.27Å; E284-T288 VanDerWaalsContact OE1-CA 3.26Å; E284-T288 WeakPolarHBondContact OE1-CA 3.48Å; E284-T288 WeakPolarHBondContact OE1-CB 3.38Å; E284-F289 HydrophobicContact CB-CE2 4.18Å; E284-F289 HydrophobicContact CG-CD2 3.71Å; E284-F289 HydrophobicContact CG-CE2 3.79Å; E284-F289 HydrophobicContact CG-CG 4.47Å; E284-F289 PolarHBondContact OE1-N 3.26Å; E284-F289 VanDerWaalsContact OE1-N 3.16Å |
| 285 | P | 93 | Very high | 92.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | trans | -61.4 | 152.8 | 173.6 | 25 | -34.5 | 0 | 0 | 0 | 111.6 | L287 T288 F289 C363 C366 | P285-L287 PolarHBondContact O-N 2.69Å; P285-T288 WeakPolarHBondContact O-CA 3.33Å; P285-T288 PolarHBondContact O-N 3.06Å; P285-F289 HydrophobicContact CG-CD1 3.87Å; P285-F289 HydrophobicContact CG-CE1 3.79Å; P285-F289 HydrophobicContact CG-CG 4.37Å; P285-F289 HydrophobicContact CG-CZ 4.22Å; P285-C363 CarbonylContact C-O 3.57Å; P285-C363 VanDerWaalsContact CA-O 3.29Å; P285-C363 WeakPolarHBondContact CA-O 3.22Å; P285-C366 VanDerWaalsContact CD-SG 3.57Å; P285-C366 VanDerWaalsContact CG-SG 3.53Å | ||
| 286 | L | 94.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34.1 | 177.6 | -65.8 | 176.5 | 0 | 0 | 0 | 111.8 | Y279 L282 T288 N323 K326 L327 L330 C363 I364 | Y279-L286 HydrophobicContact CD1-CD1 4.31Å; Y279-L286 HydrophobicContact CE1-CD1 4.03Å; Y279-L286 HydrophobicContact CE1-CD2 4.42Å; L282-L286 HydrophobicContact CD1-CD2 4Å; L282-L286 HydrophobicContact CD1-CG 4.39Å; L286-T288 PolarHBondContact O-N 3.22Å; L286-N323 WeakPolarHBondContact O-CB 3.4Å; L286-N323 PolarHBondContact O-ND2 3.25Å; L286-N323 VanDerWaalsContact O-ND2 3.15Å; L286-K326 HydrophobicContact CD2-CB 3.75Å; L286-K326 HydrophobicContact CD2-CD 4.13Å; L286-L327 HydrophobicContact CD1-CB 4.43Å; L286-L327 HydrophobicContact CD1-CD1 4.24Å; L286-L330 HydrophobicContact CD1-CD2 3.77Å; L286-C363 PolarHBondContact N-O 2.92Å; L286-I364 HydrophobicContact CD1-CG1 4.19Å |
| 287 | L | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.5 | 176.4 | -60.6 | -176.3 | 0 | 0 | 0 | 114 | P285 L291 F295 L319 L327 I364 L365 L381 | P285-L287 PolarHBondContact O-N 2.69Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; L287-F295 HydrophobicContact CB-CD2 3.79Å; L287-F295 HydrophobicContact CB-CE2 3.77Å; L287-F295 HydrophobicContact CB-CZ 4.45Å; L287-F295 HydrophobicContact CD1-CB 4.4Å; L287-F295 HydrophobicContact CD1-CD1 3.96Å; L287-F295 HydrophobicContact CD1-CD2 3.96Å; L287-F295 HydrophobicContact CD1-CE1 4.2Å; L287-F295 HydrophobicContact CD1-CE2 4.23Å; L287-F295 HydrophobicContact CD1-CG 3.84Å; L287-F295 HydrophobicContact CD1-CZ 4.36Å; L287-F295 HydrophobicContact CD2-CD2 4.41Å; L287-F295 HydrophobicContact CD2-CE1 4.03Å; L287-F295 HydrophobicContact CD2-CE2 3.85Å; L287-F295 HydrophobicContact CD2-CZ 3.64Å; L287-F295 HydrophobicContact CG-CD2 4.26Å; L287-F295 HydrophobicContact CG-CE2 4.15Å; L287-F295 HydrophobicContact CG-CZ 4.35Å; L287-L319 HydrophobicContact CD2-CD1 3.88Å; L287-L319 HydrophobicContact CD2-CD2 4.17Å; L287-L327 HydrophobicContact CD2-CD2 3.71Å; L287-I364 VanDerWaalsContact CB-O 3.27Å; L287-I364 WeakPolarHBondContact CB-O 3.34Å; L287-I364 HydrophobicContact CD1-CG2 3.81Å; L287-I364 HydrophobicContact CG-CG2 3.93Å; L287-I364 WeakPolarHBondContact CG-O 3.29Å; L287-I364 PolarHBondContact N-O 3.28Å; L287-L365 HydrophobicContact CB-CD1 4.38Å; L287-L365 HydrophobicContact CD1-CB 4.34Å; L287-L365 HydrophobicContact CD1-CD1 3.97Å; L287-L381 HydrophobicContact CD1-CD1 4.48Å; L287-L381 HydrophobicContact CD1-CD2 3.84Å |
| 288 | T | 92.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | trans | 62.9 | 152.8 | -175.6 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | E284 P285 L286 H290 L291 L319 P320 | E284-T288 VanDerWaalsContact OE1-CA 3.26Å; E284-T288 WeakPolarHBondContact OE1-CA 3.48Å; E284-T288 WeakPolarHBondContact OE1-CB 3.38Å; P285-T288 WeakPolarHBondContact O-CA 3.33Å; P285-T288 PolarHBondContact O-N 3.06Å; L286-T288 PolarHBondContact O-N 3.22Å; T288-H290 VanDerWaalsContact C-N 3.3Å; T288-H290 PolarHBondContact O-N 2.99Å; T288-L291 PolarHBondContact OG1-N 3.27Å; T288-L319 HydrophobicContact CG2-CD2 4.5Å; T288-P320 HydrophobicContact CG2-CG 4.03Å | ||
| 289 | F | 91.1 | Very high | 91.8 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 26% | 0.263 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -69.3 | -32.6 | 175.8 | -65.8 | -60.8 | 0 | 0 | 0 | 111.8 | E284 P285 L291 F292 K368 | E284-F289 HydrophobicContact CB-CE2 4.18Å; E284-F289 HydrophobicContact CG-CD2 3.71Å; E284-F289 HydrophobicContact CG-CE2 3.79Å; E284-F289 HydrophobicContact CG-CG 4.47Å; E284-F289 PolarHBondContact OE1-N 3.26Å; E284-F289 VanDerWaalsContact OE1-N 3.16Å; P285-F289 HydrophobicContact CG-CD1 3.87Å; P285-F289 HydrophobicContact CG-CE1 3.79Å; P285-F289 HydrophobicContact CG-CG 4.37Å; P285-F289 HydrophobicContact CG-CZ 4.22Å; F289-L291 VanDerWaalsContact C-N 3.29Å; F289-L291 PolarHBondContact O-N 3.42Å; F289-F292 WeakPolarHBondContact O-CB 3.36Å; F289-F292 PolarHBondContact O-N 3.26Å; F289-K368 HydrophobicContact CD1-CB 3.99Å; F289-K368 HydrophobicContact CE1-CB 4.28Å; F289-K368 HydrophobicContact CG-CB 4.35Å |
| 290 | H | 89.9 | Confident | 91.5 | Very high | 111 Ų | 111 | 47.5 Ų | 47.5 | 51% | 0.514 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.3 | -176.1 | -60.5 | -55.6 | 0 | 0 | 0 | 114.3 | L211 T288 | L211-H290 HydrophobicContact CD1-CB 4.37Å; L211-H290 VanDerWaalsContact CD1-ND1 3.32Å; L211-H290 WeakPolarHBondContact CD1-ND1 3.48Å; T288-H290 VanDerWaalsContact C-N 3.3Å; T288-H290 PolarHBondContact O-N 2.99Å |
| 291 | L | 91.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3.5 | -180 | -61.1 | 166.3 | 0 | 0 | 0 | 112.1 | L207 L287 T288 F289 D293 A294 F295 L318 L319 | L207-L291 HydrophobicContact CD1-CD2 3.38Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; T288-L291 PolarHBondContact OG1-N 3.27Å; F289-L291 VanDerWaalsContact C-N 3.29Å; F289-L291 PolarHBondContact O-N 3.42Å; L291-D293 PolarHBondContact O-N 3.47Å; L291-A294 WeakPolarHBondContact O-CB 3.1Å; L291-A294 PolarHBondContact O-N 3.44Å; L291-A294 VanDerWaalsContact O-N 3.14Å; L291-F295 HydrophobicContact CB-CD2 3.87Å; L291-F295 HydrophobicContact CB-CE2 3.74Å; L291-F295 HydrophobicContact CD1-CE2 4.33Å; L291-F295 WeakPolarHBondContact O-CD2 3.47Å; L291-F295 PolarHBondContact O-N 2.88Å; L291-L318 HydrophobicContact CD1-CB 4.12Å; L291-L318 HydrophobicContact CD2-CB 4.03Å; L291-L318 HydrophobicContact CD2-CD1 4.03Å; L291-L319 HydrophobicContact CD1-CD2 3.65Å; L291-L319 HydrophobicContact CD1-CG 4.3Å |
| 292 | F | 91 | Very high | 91.3 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.9 | -53.4 | -177.5 | 176 | -94.5 | 0 | 0 | 0 | 111.5 | F289 A294 F295 V296 L365 C366 | F289-F292 WeakPolarHBondContact O-CB 3.36Å; F289-F292 PolarHBondContact O-N 3.26Å; F292-A294 VanDerWaalsContact C-N 3.28Å; F292-A294 PolarHBondContact O-N 3.13Å; F292-F295 PolarHBondContact O-N 3.05Å; F292-F295 VanDerWaalsContact O-N 3.12Å; F292-V296 HydrophobicContact CD1-CG2 4.13Å; F292-V296 HydrophobicContact CD2-CG2 4.43Å; F292-V296 HydrophobicContact CE1-CG2 3.75Å; F292-V296 HydrophobicContact CE2-CG2 4.07Å; F292-V296 HydrophobicContact CG-CG2 4.46Å; F292-V296 HydrophobicContact CZ-CG2 3.72Å; F292-V296 WeakPolarHBondContact O-CG2 3.26Å; F292-V296 PolarHBondContact O-N 2.62Å; F292-L365 HydrophobicContact CD2-CD1 3.6Å; F292-L365 HydrophobicContact CD2-CD2 4.41Å; F292-L365 HydrophobicContact CD2-CG 3.81Å; F292-L365 HydrophobicContact CE2-CD1 4.06Å; F292-L365 HydrophobicContact CE2-CD2 4.02Å; F292-L365 HydrophobicContact CE2-CG 3.79Å; F292-L365 HydrophobicContact CG-CD1 4.49Å; F292-C366 WeakPolarHBondContact CD2-O 3.14Å |
| 293 | D | 90.2 | Very high | 91.1 | Very high | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -33.9 | -179.1 | -63.3 | -47 | 0 | 0 | 0 | 112.4 | L291 V296 S297 | L291-D293 PolarHBondContact O-N 3.47Å; D293-V296 PolarHBondContact O-N 2.93Å; D293-S297 VanDerWaalsContact O-CB 3.26Å; D293-S297 WeakPolarHBondContact O-CB 3.25Å; D293-S297 PolarHBondContact O-N 3.36Å; D293-S297 PolarHBondContact O-OG 3.44Å |
| 294 | A | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | V206 L291 F292 S297 V298 | V206-A294 HydrophobicContact CG1-CB 3.89Å; V206-A294 PolarHBondContact O-N 2.93Å; L291-A294 WeakPolarHBondContact O-CB 3.1Å; L291-A294 PolarHBondContact O-N 3.44Å; L291-A294 VanDerWaalsContact O-N 3.14Å; F292-A294 VanDerWaalsContact C-N 3.28Å; F292-A294 PolarHBondContact O-N 3.13Å; A294-S297 PolarHBondContact O-N 3.28Å; A294-V298 WeakPolarHBondContact O-CG2 3.47Å; A294-V298 PolarHBondContact O-N 2.94Å; A294-V298 VanDerWaalsContact O-N 3.15Å |
| 295 | F | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -37.9 | 177.2 | -77.6 | -71.2 | 0 | 0 | 0 | 112.5 | L287 L291 F292 V298 L299 F312 C315 L319 L365 L381 | L287-F295 HydrophobicContact CB-CD2 3.79Å; L287-F295 HydrophobicContact CB-CE2 3.77Å; L287-F295 HydrophobicContact CB-CZ 4.45Å; L287-F295 HydrophobicContact CD1-CB 4.4Å; L287-F295 HydrophobicContact CD1-CD1 3.96Å; L287-F295 HydrophobicContact CD1-CD2 3.96Å; L287-F295 HydrophobicContact CD1-CE1 4.2Å; L287-F295 HydrophobicContact CD1-CE2 4.23Å; L287-F295 HydrophobicContact CD1-CG 3.84Å; L287-F295 HydrophobicContact CD1-CZ 4.36Å; L287-F295 HydrophobicContact CD2-CD2 4.41Å; L287-F295 HydrophobicContact CD2-CE1 4.03Å; L287-F295 HydrophobicContact CD2-CE2 3.85Å; L287-F295 HydrophobicContact CD2-CZ 3.64Å; L287-F295 HydrophobicContact CG-CD2 4.26Å; L287-F295 HydrophobicContact CG-CE2 4.15Å; L287-F295 HydrophobicContact CG-CZ 4.35Å; L291-F295 HydrophobicContact CB-CD2 3.87Å; L291-F295 HydrophobicContact CB-CE2 3.74Å; L291-F295 HydrophobicContact CD1-CE2 4.33Å; L291-F295 WeakPolarHBondContact O-CD2 3.47Å; L291-F295 PolarHBondContact O-N 2.88Å; F292-F295 PolarHBondContact O-N 3.05Å; F292-F295 VanDerWaalsContact O-N 3.12Å; F295-V298 PolarHBondContact O-N 3.38Å; F295-L299 PolarHBondContact O-N 3.02Å; F295-F312 AromaticContact CD1-CD1 3.72Å; F295-F312 HydrophobicContact CD1-CD1 3.72Å; F295-F312 AromaticContact CD1-CE1 3.78Å; F295-F312 HydrophobicContact CD1-CE1 3.78Å; F295-F312 AromaticContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CE1 4.45Å; F295-C315 HydrophobicContact CD1-CB 4.11Å; F295-C315 HydrophobicContact CE1-CB 3.53Å; F295-C315 HydrophobicContact CE2-CB 4.31Å; F295-C315 HydrophobicContact CZ-CB 3.62Å; F295-L319 HydrophobicContact CE2-CD2 4.09Å; F295-L319 HydrophobicContact CZ-CD1 4.37Å; F295-L319 HydrophobicContact CZ-CD2 4.28Å; F295-L319 HydrophobicContact CZ-CG 4.37Å; F295-L365 HydrophobicContact CB-CD1 4.1Å; F295-L381 HydrophobicContact CB-CD1 3.93Å |
| 296 | V | 91.2 | Very high | 91.3 | Very high | 38 Ų | 38 | 52 Ų | 52 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | F292 D293 V298 L299 L365 L377 | F292-V296 HydrophobicContact CD1-CG2 4.13Å; F292-V296 HydrophobicContact CD2-CG2 4.43Å; F292-V296 HydrophobicContact CE1-CG2 3.75Å; F292-V296 HydrophobicContact CE2-CG2 4.07Å; F292-V296 HydrophobicContact CG-CG2 4.46Å; F292-V296 HydrophobicContact CZ-CG2 3.72Å; F292-V296 WeakPolarHBondContact O-CG2 3.26Å; F292-V296 PolarHBondContact O-N 2.62Å; D293-V296 PolarHBondContact O-N 2.93Å; V296-V298 VanDerWaalsContact C-N 3.27Å; V296-V298 PolarHBondContact O-N 2.9Å; V296-L299 VanDerWaalsContact O-CB 3.28Å; V296-L299 WeakPolarHBondContact O-CB 3.28Å; V296-L299 PolarHBondContact O-N 2.72Å; V296-L365 HydrophobicContact CG2-CD2 4.41Å; V296-L377 HydrophobicContact CG1-CD1 4.43Å |
| 297 | S | 91.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 32% | 0.315 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | D293 A294 L299 G300 | D293-S297 VanDerWaalsContact O-CB 3.26Å; D293-S297 WeakPolarHBondContact O-CB 3.25Å; D293-S297 PolarHBondContact O-N 3.36Å; D293-S297 PolarHBondContact O-OG 3.44Å; A294-S297 PolarHBondContact O-N 3.28Å; S297-L299 VanDerWaalsContact C-N 3.26Å; S297-L299 PolarHBondContact O-N 3.39Å; S297-G300 PolarHBondContact O-N 2.92Å; S297-G300 VanDerWaalsContact O-N 3.17Å |
| 298 | V | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.6 | -30.5 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | L198 A294 F295 V296 G300 L301 A311 F312 | L198-V298 HydrophobicContact CD2-CG2 4.06Å; A294-V298 WeakPolarHBondContact O-CG2 3.47Å; A294-V298 PolarHBondContact O-N 2.94Å; A294-V298 VanDerWaalsContact O-N 3.15Å; F295-V298 PolarHBondContact O-N 3.38Å; V296-V298 VanDerWaalsContact C-N 3.27Å; V296-V298 PolarHBondContact O-N 2.9Å; V298-G300 PolarHBondContact O-N 3.17Å; V298-L301 WeakPolarHBondContact O-CA 3.32Å; V298-L301 WeakPolarHBondContact O-CB 3.23Å; V298-L301 PolarHBondContact O-N 2.81Å; V298-A311 HydrophobicContact CB-CB 4.43Å; V298-A311 HydrophobicContact CG1-CB 3.67Å; V298-A311 HydrophobicContact CG2-CB 3.96Å; V298-F312 HydrophobicContact CB-CD1 4.4Å; V298-F312 HydrophobicContact CB-CE1 4.08Å; V298-F312 HydrophobicContact CB-CE2 4.45Å; V298-F312 HydrophobicContact CB-CZ 4.1Å; V298-F312 HydrophobicContact CG1-CD1 3.92Å; V298-F312 HydrophobicContact CG1-CD2 3.57Å; V298-F312 HydrophobicContact CG1-CE1 3.83Å; V298-F312 HydrophobicContact CG1-CE2 3.47Å; V298-F312 VanDerWaalsContact CG1-CE2 3.47Å; V298-F312 HydrophobicContact CG1-CG 3.78Å; V298-F312 HydrophobicContact CG1-CZ 3.61Å |
| 299 | L | 90.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -26.6 | 176.1 | -65.7 | 172.7 | 0 | 0 | 0 | 113.2 | F295 V296 S297 L301 L302 F312 L377 L381 | F295-L299 PolarHBondContact O-N 3.02Å; V296-L299 VanDerWaalsContact O-CB 3.28Å; V296-L299 WeakPolarHBondContact O-CB 3.28Å; V296-L299 PolarHBondContact O-N 2.72Å; S297-L299 VanDerWaalsContact C-N 3.26Å; S297-L299 PolarHBondContact O-N 3.39Å; L299-L301 PolarHBondContact O-N 2.88Å; L299-L302 HydrophobicContact CB-CD1 4.4Å; L299-L302 HydrophobicContact CD2-CD1 3.64Å; L299-L302 HydrophobicContact CD2-CD2 4.5Å; L299-L302 HydrophobicContact CD2-CG 4.21Å; L299-L302 VanDerWaalsContact O-CG 3.3Å; L299-L302 WeakPolarHBondContact O-CG 3.46Å; L299-L302 PolarHBondContact O-N 2.99Å; L299-F312 HydrophobicContact CD2-CZ 4.12Å; L299-L377 HydrophobicContact CD1-CB 4.27Å; L299-L377 HydrophobicContact CD1-CD2 4.3Å; L299-L381 HydrophobicContact CD1-CB 4.06Å; L299-L381 HydrophobicContact CD1-CD1 4.1Å; L299-L381 HydrophobicContact CD2-CB 3.63Å; L299-L381 HydrophobicContact CD2-CD1 3.93Å; L299-L381 HydrophobicContact CD2-CG 3.94Å; L299-L381 HydrophobicContact CG-CB 4.32Å; L299-L381 HydrophobicContact CG-CD1 4.02Å |
| 300 | G | 88.3 | Confident | 91.5 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S297 V298 | S297-G300 PolarHBondContact O-N 2.92Å; S297-G300 VanDerWaalsContact O-N 3.17Å; V298-G300 PolarHBondContact O-N 3.17Å |
| 301 | L | 90.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.5 | -177 | -58.6 | 177.2 | 0 | 0 | 0 | 113.9 | I197 L198 V298 L299 Q303 K304 V307 A308 A311 | I197-L301 HydrophobicContact CG2-CD1 4.35Å; L198-L301 HydrophobicContact CD2-CD1 3.64Å; V298-L301 WeakPolarHBondContact O-CA 3.32Å; V298-L301 WeakPolarHBondContact O-CB 3.23Å; V298-L301 PolarHBondContact O-N 2.81Å; L299-L301 PolarHBondContact O-N 2.88Å; L301-Q303 PolarHBondContact O-N 3.43Å; L301-K304 CarbonylContact O-C 3.57Å; L301-K304 WeakPolarHBondContact O-CA 3.37Å; L301-K304 PolarHBondContact O-N 2.94Å; L301-V307 HydrophobicContact CD1-CG1 4.3Å; L301-A308 HydrophobicContact CB-CB 4.3Å; L301-A311 HydrophobicContact CD1-CB 4.37Å |
| 302 | L | 89.5 | Confident | 92 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.8 | -176.7 | -70.9 | -179.6 | 0 | 0 | 0 | 114.6 | L299 K304 A308 F312 R380 F384 | L299-L302 HydrophobicContact CB-CD1 4.4Å; L299-L302 HydrophobicContact CD2-CD1 3.64Å; L299-L302 HydrophobicContact CD2-CD2 4.5Å; L299-L302 HydrophobicContact CD2-CG 4.21Å; L299-L302 VanDerWaalsContact O-CG 3.3Å; L299-L302 WeakPolarHBondContact O-CG 3.46Å; L299-L302 PolarHBondContact O-N 2.99Å; L302-K304 PolarHBondContact O-N 3.49Å; L302-A308 HydrophobicContact CD2-CB 4.23Å; L302-F312 HydrophobicContact CD2-CE2 4.01Å; L302-R380 HydrophobicContact CD1-CG 4.07Å; L302-F384 HydrophobicContact CD2-CB 4.06Å; L302-F384 HydrophobicContact CD2-CD1 3.53Å; L302-F384 HydrophobicContact CD2-CD2 3.55Å; L302-F384 HydrophobicContact CD2-CE1 3.75Å; L302-F384 HydrophobicContact CD2-CE2 3.77Å; L302-F384 HydrophobicContact CD2-CG 3.41Å; L302-F384 VanDerWaalsContact CD2-CG 3.41Å; L302-F384 HydrophobicContact CD2-CZ 3.87Å |
| 303 | Q | 87.2 | Confident | 92.2 | Very high | 170 Ų | 170 | 49.7 Ų | 49.7 | 79% | 0.794 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.8 | 173 | -59.9 | -62 | -13.4 | 0 | 0 | 112.8 | L301 | L301-Q303 PolarHBondContact O-N 3.43Š|
| 304 | K | 91.9 | Very high | 92.4 | Very high | 139 Ų | 139 | 45.7 Ų | 45.7 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -114.9 | 79.8 | 177.9 | -63.3 | 179.5 | -175.8 | 174.8 | 0 | 108.8 | L301 L302 K306 V307 A308 | L301-K304 CarbonylContact O-C 3.57Å; L301-K304 WeakPolarHBondContact O-CA 3.37Å; L301-K304 PolarHBondContact O-N 2.94Å; L302-K304 PolarHBondContact O-N 3.49Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.48Å; K304-V307 HydrophobicContact CB-CB 4.04Å; K304-V307 HydrophobicContact CB-CG2 4.21Å; K304-V307 PolarHBondContact O-N 3.18Å; K304-A308 PolarHBondContact O-N 2.88Å |
| 305 | E | 91.1 | Very high | 92.6 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -47.6 | -49.4 | -172.3 | -175.8 | 170.9 | -156.7 | 0 | 0 | 113.8 | V307 A308 V309 F384 N388 | E305-V307 PolarHBondContact O-N 3.37Å; E305-A308 PolarHBondContact O-N 2.92Å; E305-V309 HydrophobicContact CG-CG2 4.49Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.43Å; E305-V309 PolarHBondContact O-N 3.35Å; E305-F384 HydrophobicContact CG-CE2 4.17Å; E305-F384 HydrophobicContact CG-CZ 4.21Å; E305-N388 PolarHBondContact OE1-ND2 2.92Å; E305-N388 PolarHBondContact OE1-OD1 2.92Å |
| 306 | K | 91.7 | Very high | 92.7 | Very high | 169 Ų | 169 | 45.7 Ų | 45.7 | 74% | 0.735 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.1 | -46.4 | 179.1 | -65.9 | -173.8 | 177.1 | -175.7 | 0 | 113.2 | K304 A308 V309 E310 | K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.48Å; K306-A308 VanDerWaalsContact C-N 3.35Å; K306-V309 PolarHBondContact O-N 2.85Å; K306-E310 WeakPolarHBondContact O-CG 3.37Å; K306-E310 PolarHBondContact O-N 2.86Å |
| 307 | V | 93.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.1 | -37.5 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | I197 L301 K304 E305 E310 A311 | I197-V307 HydrophobicContact CG2-CG1 3.71Å; L301-V307 HydrophobicContact CD1-CG1 4.3Å; K304-V307 HydrophobicContact CB-CB 4.04Å; K304-V307 HydrophobicContact CB-CG2 4.21Å; K304-V307 PolarHBondContact O-N 3.18Å; E305-V307 PolarHBondContact O-N 3.37Å; V307-E310 PolarHBondContact O-N 3.28Å; V307-A311 WeakPolarHBondContact O-CB 3.21Å; V307-A311 PolarHBondContact O-N 3.23Å |
| 308 | A | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L301 L302 K304 E305 K306 A311 F312 F384 | L301-A308 HydrophobicContact CB-CB 4.3Å; L302-A308 HydrophobicContact CD2-CB 4.23Å; K304-A308 PolarHBondContact O-N 2.88Å; E305-A308 PolarHBondContact O-N 2.92Å; K306-A308 VanDerWaalsContact C-N 3.35Å; A308-A311 PolarHBondContact O-N 3.47Å; A308-F312 WeakPolarHBondContact O-CD2 3.29Å; A308-F312 PolarHBondContact O-N 3.46Å; A308-F384 HydrophobicContact CB-CE1 4.23Å; A308-F384 HydrophobicContact CB-CZ 4.05Å |
| 309 | V | 95.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 175.6 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | E305 K306 A311 F312 Q313 F384 N388 E391 I392 | E305-V309 HydrophobicContact CG-CG2 4.49Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.43Å; E305-V309 PolarHBondContact O-N 3.35Å; K306-V309 PolarHBondContact O-N 2.85Å; V309-A311 PolarHBondContact O-N 3.36Å; V309-F312 PolarHBondContact O-N 3.17Å; V309-Q313 WeakPolarHBondContact O-CG 3.29Å; V309-Q313 PolarHBondContact O-N 3.3Å; V309-F384 HydrophobicContact CG2-CE1 4.34Å; V309-F384 HydrophobicContact CG2-CZ 4.08Å; V309-N388 HydrophobicContact CG2-CB 4.3Å; V309-E391 HydrophobicContact CG1-CB 3.79Å; V309-I392 HydrophobicContact CB-CG1 4.34Å; V309-I392 HydrophobicContact CG1-CG1 4.08Å; V309-I392 HydrophobicContact CG2-CD1 4.5Å; V309-I392 HydrophobicContact CG2-CG1 4.09Å |
| 310 | E | 94.4 | Very high | 93.3 | Very high | 75 Ų | 75 | 43.1 Ų | 43.1 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.2 | -46 | 175.4 | -73.6 | 170.7 | -159.7 | 0 | 0 | 111.5 | I197 K306 V307 F312 Q313 I314 | I197-E310 HydrophobicContact CD1-CB 4.18Å; K306-E310 WeakPolarHBondContact O-CG 3.37Å; K306-E310 PolarHBondContact O-N 2.86Å; V307-E310 PolarHBondContact O-N 3.28Å; E310-F312 PolarHBondContact O-N 3.42Å; E310-Q313 WeakPolarHBondContact O-CB 3.46Å; E310-Q313 PolarHBondContact O-N 3.17Å; E310-I314 VanDerWaalsContact O-CG1 3.23Å; E310-I314 WeakPolarHBondContact O-CG1 3.1Å; E310-I314 PolarHBondContact O-N 3.37Å |
| 311 | A | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I197 V298 L301 V307 A308 V309 I314 C315 | I197-A311 HydrophobicContact CG2-CB 3.65Å; V298-A311 HydrophobicContact CB-CB 4.43Å; V298-A311 HydrophobicContact CG1-CB 3.67Å; V298-A311 HydrophobicContact CG2-CB 3.96Å; L301-A311 HydrophobicContact CD1-CB 4.37Å; V307-A311 WeakPolarHBondContact O-CB 3.21Å; V307-A311 PolarHBondContact O-N 3.23Å; A308-A311 PolarHBondContact O-N 3.47Å; V309-A311 PolarHBondContact O-N 3.36Å; A311-I314 PolarHBondContact O-N 2.96Å; A311-C315 PolarHBondContact O-N 3.32Å; A311-C315 PolarHBondContact O-SG 2.95Å |
| 312 | F | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.6 | -79.5 | -64.8 | 0 | 0 | 0 | 112.4 | F295 V298 L299 L302 A308 V309 E310 I314 C315 C316 L381 F384 L385 I392 | F295-F312 AromaticContact CD1-CD1 3.72Å; F295-F312 HydrophobicContact CD1-CD1 3.72Å; F295-F312 AromaticContact CD1-CE1 3.78Å; F295-F312 HydrophobicContact CD1-CE1 3.78Å; F295-F312 AromaticContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CE1 4.45Å; V298-F312 HydrophobicContact CB-CD1 4.4Å; V298-F312 HydrophobicContact CB-CE1 4.08Å; V298-F312 HydrophobicContact CB-CE2 4.45Å; V298-F312 HydrophobicContact CB-CZ 4.1Å; V298-F312 HydrophobicContact CG1-CD1 3.92Å; V298-F312 HydrophobicContact CG1-CD2 3.57Å; V298-F312 HydrophobicContact CG1-CE1 3.83Å; V298-F312 HydrophobicContact CG1-CE2 3.47Å; V298-F312 VanDerWaalsContact CG1-CE2 3.47Å; V298-F312 HydrophobicContact CG1-CG 3.78Å; V298-F312 HydrophobicContact CG1-CZ 3.61Å; L299-F312 HydrophobicContact CD2-CZ 4.12Å; L302-F312 HydrophobicContact CD2-CE2 4.01Å; A308-F312 WeakPolarHBondContact O-CD2 3.29Å; A308-F312 PolarHBondContact O-N 3.46Å; V309-F312 PolarHBondContact O-N 3.17Å; E310-F312 PolarHBondContact O-N 3.42Å; F312-I314 VanDerWaalsContact C-N 3.26Å; F312-I314 PolarHBondContact O-N 2.9Å; F312-C315 PolarHBondContact O-N 3.3Å; F312-C316 VanDerWaalsContact O-CB 3.27Å; F312-C316 WeakPolarHBondContact O-CB 3.32Å; F312-C316 PolarHBondContact O-N 3.05Å; F312-C316 PolarHBondContact O-SG 3.35Å; F312-L381 HydrophobicContact CE1-CD1 3.87Å; F312-L381 HydrophobicContact CE1-CG 4.2Å; F312-L381 HydrophobicContact CZ-CD1 4.19Å; F312-L381 HydrophobicContact CZ-CG 4.27Å; F312-F384 AromaticContact CD2-CD1 3.92Å; F312-F384 HydrophobicContact CD2-CD1 3.92Å; F312-F384 AromaticContact CD2-CE1 3.65Å; F312-F384 HydrophobicContact CD2-CE1 3.65Å; F312-F384 AromaticContact CE2-CD1 3.46Å; F312-F384 HydrophobicContact CE2-CD1 3.46Å; F312-F384 VanDerWaalsContact CE2-CD1 3.46Å; F312-F384 AromaticContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CZ-CD1 4.33Å; F312-L385 HydrophobicContact CD1-CD2 4.25Å; F312-L385 HydrophobicContact CG-CD2 4.45Å; F312-I392 HydrophobicContact CB-CB 4.42Å; F312-I392 HydrophobicContact CB-CD1 4.24Å; F312-I392 HydrophobicContact CB-CG1 4.12Å; F312-I392 HydrophobicContact CB-CG2 3.56Å; F312-I392 HydrophobicContact CD2-CD1 4.07Å; F312-I392 HydrophobicContact CG-CD1 4.35Å; F312-I392 HydrophobicContact CG-CG2 4.43Å |
| 313 | Q | 95.5 | Very high | 94.1 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.9 | -47 | 174.1 | -76.8 | 173.2 | -25.5 | 0 | 0 | 110.7 | V309 E310 C316 L317 E391 I392 P396 | V309-Q313 WeakPolarHBondContact O-CG 3.29Å; V309-Q313 PolarHBondContact O-N 3.3Å; E310-Q313 WeakPolarHBondContact O-CB 3.46Å; E310-Q313 PolarHBondContact O-N 3.17Å; Q313-C316 PolarHBondContact O-N 3.06Å; Q313-L317 WeakPolarHBondContact O-CG 3.1Å; Q313-L317 PolarHBondContact O-N 3.05Å; Q313-E391 WeakPolarHBondContact CG-O 3.43Å; Q313-E391 PolarHBondContact NE2-O 3.11Å; Q313-I392 WeakPolarHBondContact CA-O 3.26Å; Q313-I392 VanDerWaalsContact CG-O 3.24Å; Q313-I392 WeakPolarHBondContact CG-O 3.38Å; Q313-P396 HydrophobicContact CB-CG 4.47Å |
| 314 | I | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -47.9 | -178.7 | -58.3 | -72.8 | 0 | 0 | 0 | 110.9 | T190 Y193 L194 I197 E310 A311 F312 C316 L317 P396 L399 | T190-I314 HydrophobicContact CG2-CG2 3.78Å; Y193-I314 HydrophobicContact CD1-CD1 3.46Å; Y193-I314 VanDerWaalsContact CD1-CD1 3.46Å; Y193-I314 HydrophobicContact CD1-CG1 3.76Å; Y193-I314 HydrophobicContact CE1-CD1 3.8Å; Y193-I314 HydrophobicContact CE1-CG1 4.04Å; Y193-I314 HydrophobicContact CG-CD1 4.48Å; L194-I314 HydrophobicContact CB-CG2 3.82Å; L194-I314 HydrophobicContact CD1-CB 4.42Å; L194-I314 HydrophobicContact CD1-CG2 4.16Å; L194-I314 HydrophobicContact CG-CG2 4.43Å; I197-I314 HydrophobicContact CD1-CG1 4.12Å; E310-I314 VanDerWaalsContact O-CG1 3.23Å; E310-I314 WeakPolarHBondContact O-CG1 3.1Å; E310-I314 PolarHBondContact O-N 3.37Å; A311-I314 PolarHBondContact O-N 2.96Å; F312-I314 VanDerWaalsContact C-N 3.26Å; F312-I314 PolarHBondContact O-N 2.9Å; I314-C316 VanDerWaalsContact C-N 3.27Å; I314-C316 PolarHBondContact O-N 3.3Å; I314-L317 WeakPolarHBondContact O-CB 3.36Å; I314-L317 PolarHBondContact O-N 3.17Å; I314-P396 HydrophobicContact CD1-CB 4.4Å; I314-P396 HydrophobicContact CD1-CG 3.88Å; I314-L399 HydrophobicContact CD1-CB 4.42Å; I314-L399 HydrophobicContact CD1-CD2 3.54Å; I314-L399 HydrophobicContact CD1-CG 4.45Å |
| 315 | C | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59 | -39.1 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 112 | F295 A311 F312 L317 L318 | F295-C315 HydrophobicContact CD1-CB 4.11Å; F295-C315 HydrophobicContact CE1-CB 3.53Å; F295-C315 HydrophobicContact CE2-CB 4.31Å; F295-C315 HydrophobicContact CZ-CB 3.62Å; A311-C315 PolarHBondContact O-N 3.32Å; A311-C315 PolarHBondContact O-SG 2.95Å; F312-C315 PolarHBondContact O-N 3.3Å; C315-L317 VanDerWaalsContact C-N 3.27Å; C315-L317 PolarHBondContact O-N 3.11Å; C315-L318 WeakPolarHBondContact O-CB 3.34Å; C315-L318 PolarHBondContact O-N 3.46Å; C315-L318 VanDerWaalsContact O-N 3.11Å |
| 316 | C | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -24.9 | 176.6 | -74.7 | 0 | 0 | 0 | 0 | 113.4 | F312 Q313 I314 L318 L319 R324 L393 | F312-C316 VanDerWaalsContact O-CB 3.27Å; F312-C316 WeakPolarHBondContact O-CB 3.32Å; F312-C316 PolarHBondContact O-N 3.05Å; F312-C316 PolarHBondContact O-SG 3.35Å; Q313-C316 PolarHBondContact O-N 3.06Å; I314-C316 VanDerWaalsContact C-N 3.27Å; I314-C316 PolarHBondContact O-N 3.3Å; C316-L318 VanDerWaalsContact C-N 3.29Å; C316-L319 HydrophobicContact CB-CD1 4.26Å; C316-L319 WeakPolarHBondContact O-CB 3.39Å; C316-L319 PolarHBondContact O-N 3.33Å; C316-R324 VanDerWaalsContact O-CD 3.25Å; C316-R324 WeakPolarHBondContact O-CD 3.49Å; C316-L393 HydrophobicContact CB-CD2 4.41Å |
| 317 | L | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.3 | -26.4 | 172.5 | -67.7 | -178.3 | 0 | 0 | 0 | 112.8 | I217 N220 V221 Q313 I314 C315 L319 P396 L399 | I217-L317 HydrophobicContact CG2-CB 4.47Å; N220-L317 HydrophobicContact CB-CD2 3.97Å; N220-L317 PolarHBondContact ND2-O 3.38Å; V221-L317 HydrophobicContact CG2-CD1 4.17Å; V221-L317 HydrophobicContact CG2-CD2 4.02Å; Q313-L317 WeakPolarHBondContact O-CG 3.1Å; Q313-L317 PolarHBondContact O-N 3.05Å; I314-L317 WeakPolarHBondContact O-CB 3.36Å; I314-L317 PolarHBondContact O-N 3.17Å; C315-L317 VanDerWaalsContact C-N 3.27Å; C315-L317 PolarHBondContact O-N 3.11Å; L317-L319 VanDerWaalsContact C-N 3.26Å; L317-L319 PolarHBondContact O-N 3.26Å; L317-P396 HydrophobicContact CD1-CG 3.72Å; L317-L399 HydrophobicContact CD1-CD2 4.03Å |
| 318 | L | 95.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 15.1 Ų | 15.1 | 5% | 0.052 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -75.2 | -17.4 | 178.8 | -53.9 | 178.7 | 0 | 0 | 0 | 112.6 | T190 L194 L207 V212 I217 L291 C315 C316 | T190-L318 HydrophobicContact CG2-CD2 4.01Å; L194-L318 HydrophobicContact CD2-CD1 4.14Å; L207-L318 HydrophobicContact CD2-CD1 4.08Å; V212-L318 HydrophobicContact CG1-CD2 4.02Å; I217-L318 HydrophobicContact CD1-CD2 3.73Å; I217-L318 HydrophobicContact CG1-CD2 3.99Å; L291-L318 HydrophobicContact CD1-CB 4.12Å; L291-L318 HydrophobicContact CD2-CB 4.03Å; L291-L318 HydrophobicContact CD2-CD1 4.03Å; C315-L318 WeakPolarHBondContact O-CB 3.34Å; C315-L318 PolarHBondContact O-N 3.46Å; C315-L318 VanDerWaalsContact O-N 3.11Å; C316-L318 VanDerWaalsContact C-N 3.29Å |
| 319 | L | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -64.8 | 147.4 | -178.8 | -67.4 | 170.9 | 0 | 0 | 0 | 111.8 | N220 L287 T288 L291 F295 C316 L317 R324 L327 | N220-L319 PolarHBondContact ND2-O 3.38Å; L287-L319 HydrophobicContact CD2-CD1 3.88Å; L287-L319 HydrophobicContact CD2-CD2 4.17Å; T288-L319 HydrophobicContact CG2-CD2 4.5Å; L291-L319 HydrophobicContact CD1-CD2 3.65Å; L291-L319 HydrophobicContact CD1-CG 4.3Å; F295-L319 HydrophobicContact CE2-CD2 4.09Å; F295-L319 HydrophobicContact CZ-CD1 4.37Å; F295-L319 HydrophobicContact CZ-CD2 4.28Å; F295-L319 HydrophobicContact CZ-CG 4.37Å; C316-L319 HydrophobicContact CB-CD1 4.26Å; C316-L319 WeakPolarHBondContact O-CB 3.39Å; C316-L319 PolarHBondContact O-N 3.33Å; L317-L319 VanDerWaalsContact C-N 3.26Å; L317-L319 PolarHBondContact O-N 3.26Å; L319-R324 HydrophobicContact CB-CB 4.19Å; L319-R324 HydrophobicContact CD1-CB 4.43Å; L319-L327 HydrophobicContact CD1-CD2 4.13Å |
| 320 | P | 95 | Very high | 95.3 | Very high | 24 Ų | 24 | 16.1 Ų | 16.1 | 16% | 0.156 | 8% | 0.078 | C | C | . | . | trans | -51.2 | 135 | 163.8 | -24.9 | 34.3 | 0 | 0 | 0 | 110.7 | F216 T288 E322 N323 R324 | F216-P320 HydrophobicContact CD2-CB 4.43Å; F216-P320 HydrophobicContact CD2-CG 4.36Å; F216-P320 HydrophobicContact CE2-CB 4.19Å; F216-P320 HydrophobicContact CE2-CG 4.04Å; T288-P320 HydrophobicContact CG2-CG 4.03Å; P320-E322 HydrophobicContact CB-CG 3.97Å; P320-E322 PolarHBondContact O-N 3.07Å; P320-E322 VanDerWaalsContact O-N 3.15Å; P320-N323 HydrophobicContact CB-CB 4.29Å; P320-N323 PolarHBondContact O-N 3.23Å; P320-R324 PolarHBondContact O-N 3.48Å | ||
| 321 | P | 94.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 12.6 Ų | 12.6 | 8% | 0.084 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -54.8 | -36.9 | -177 | -30.9 | 36.6 | 0 | 0 | 0 | 114.3 | F216 H219 V230 L232 R324 R325 | F216-P321 HydrophobicContact CD1-CG 4.27Å; H219-P321 HydrophobicContact CB-CG 4.16Å; H219-P321 WeakPolarHBondContact ND1-CB 3.34Å; H219-P321 WeakPolarHBondContact ND1-CG 3.29Å; V230-P321 HydrophobicContact CG1-CB 3.95Å; L232-P321 HydrophobicContact CD2-CB 3.88Å; P321-R324 PolarHBondContact O-N 2.87Å; P321-R325 WeakPolarHBondContact O-CB 3.45Å; P321-R325 PolarHBondContact O-N 2.83Å |
| 322 | E | 94.3 | Very high | 95.3 | Very high | 56 Ų | 56 | 16.5 Ų | 16.5 | 26% | 0.262 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 174.9 | 57.9 | -159.7 | -121.1 | 0 | 0 | 112.4 | L232 K237 P320 K326 | L232-E322 HydrophobicContact CD1-CB 4.44Å; L232-E322 HydrophobicContact CD2-CB 4.39Å; K237-E322 VanDerWaalsContact CD-OE2 3.32Å; K237-E322 WeakPolarHBondContact CD-OE2 3.4Å; K237-E322 IonicContact NZ-OE2 3.05Å; K237-E322 PolarHBondContact NZ-OE2 2.79Å; P320-E322 HydrophobicContact CB-CG 3.97Å; P320-E322 PolarHBondContact O-N 3.07Å; P320-E322 VanDerWaalsContact O-N 3.15Å; E322-K326 VanDerWaalsContact O-CG 3.26Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.86Å; E322-K326 VanDerWaalsContact O-N 3.07Å |
| 323 | N | 95.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 9% | 0.086 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.5 | -42.2 | 178.2 | -75 | 21.9 | 0 | 0 | 0 | 111.2 | L286 P320 R325 K326 L327 | L286-N323 WeakPolarHBondContact O-CB 3.4Å; L286-N323 PolarHBondContact O-ND2 3.25Å; L286-N323 VanDerWaalsContact O-ND2 3.15Å; P320-N323 HydrophobicContact CB-CB 4.29Å; P320-N323 PolarHBondContact O-N 3.23Å; N323-R325 PolarHBondContact O-N 3.29Å; N323-K326 PolarHBondContact O-N 2.79Å; N323-L327 WeakPolarHBondContact O-CB 3.31Å; N323-L327 PolarHBondContact O-N 3.48Å |
| 324 | R | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 177 | -169.4 | 176.8 | -177.9 | -140.2 | 5.7 | 111.7 | N220 V230 C316 L319 P320 P321 L327 Q328 L393 | N220-R324 PolarHBondContact O-NH1 3.43Å; N220-R324 WeakPolarHBondContact OD1-CD 3.27Å; V230-R324 HydrophobicContact CG2-CB 4.34Å; V230-R324 HydrophobicContact CG2-CG 3.99Å; C316-R324 VanDerWaalsContact O-CD 3.25Å; C316-R324 WeakPolarHBondContact O-CD 3.49Å; L319-R324 HydrophobicContact CB-CB 4.19Å; L319-R324 HydrophobicContact CD1-CB 4.43Å; P320-R324 PolarHBondContact O-N 3.48Å; P321-R324 PolarHBondContact O-N 2.87Å; R324-L327 PolarHBondContact O-N 3.17Å; R324-Q328 WeakPolarHBondContact O-CB 3.49Å; R324-Q328 VanDerWaalsContact O-CG 3.28Å; R324-Q328 WeakPolarHBondContact O-CG 3.25Å; R324-Q328 PolarHBondContact O-N 3.31Å; R324-L393 PolarHBondContact NH2-O 3.46Å |
| 325 | R | 94.9 | Very high | 95.2 | Very high | 46 Ų | 46 | 15.8 Ų | 15.8 | 17% | 0.174 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.6 | -176.7 | 178.4 | 177.2 | 90.2 | -4.6 | 111.4 | V229 V230 E238 P321 N323 L327 Q328 L329 | V229-R325 HydrophobicContact CG1-CG 4.26Å; V230-R325 HydrophobicContact CB-CB 4.26Å; V230-R325 WeakPolarHBondContact O-CD 3.36Å; V230-R325 PolarHBondContact O-NH1 3.4Å; E238-R325 IonicContact OE1-CZ 2.64Å; E238-R325 IonicContact OE1-NE 3.95Å; E238-R325 PolarHBondContact OE1-NE 2.95Å; E238-R325 IonicContact OE1-NH2 3.7Å; E238-R325 PolarHBondContact OE1-NH2 3.15Å; P321-R325 WeakPolarHBondContact O-CB 3.45Å; P321-R325 PolarHBondContact O-N 2.83Å; N323-R325 PolarHBondContact O-N 3.29Å; R325-L327 VanDerWaalsContact C-N 3.35Å; R325-L327 PolarHBondContact O-N 3.39Å; R325-Q328 PolarHBondContact O-N 2.9Å; R325-L329 HydrophobicContact CG-CD1 4.2Å; R325-L329 WeakPolarHBondContact O-CG 3.47Å; R325-L329 PolarHBondContact O-N 3.32Å |
| 326 | K | 95.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 23 Ų | 23 | 14% | 0.139 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 177.2 | -71.7 | 171 | -175.2 | 170.7 | 0 | 111.4 | L239 L286 E322 N323 Q328 L329 L330 | L239-K326 HydrophobicContact CD1-CG 4.31Å; L239-K326 HydrophobicContact CD2-CD 4.16Å; L239-K326 HydrophobicContact CD2-CG 3.79Å; L239-K326 HydrophobicContact CG-CG 3.89Å; L286-K326 HydrophobicContact CD2-CB 3.75Å; L286-K326 HydrophobicContact CD2-CD 4.13Å; E322-K326 VanDerWaalsContact O-CG 3.26Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.86Å; E322-K326 VanDerWaalsContact O-N 3.07Å; N323-K326 PolarHBondContact O-N 2.79Å; K326-Q328 PolarHBondContact O-N 3.24Å; K326-L329 PolarHBondContact O-N 2.93Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 3.01Å |
| 327 | L | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.9 | -176.9 | 68.1 | 0 | 0 | 0 | 112 | L286 L287 L319 N323 R324 R325 L329 L330 M331 I364 L393 | L286-L327 HydrophobicContact CD1-CB 4.43Å; L286-L327 HydrophobicContact CD1-CD1 4.24Å; L287-L327 HydrophobicContact CD2-CD2 3.71Å; L319-L327 HydrophobicContact CD1-CD2 4.13Å; N323-L327 WeakPolarHBondContact O-CB 3.31Å; N323-L327 PolarHBondContact O-N 3.48Å; R324-L327 PolarHBondContact O-N 3.17Å; R325-L327 VanDerWaalsContact C-N 3.35Å; R325-L327 PolarHBondContact O-N 3.39Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 2.65Å; L327-L330 PolarHBondContact O-N 3.05Å; L327-M331 HydrophobicContact CD1-CE 3.83Å; L327-M331 HydrophobicContact CD1-CG 4.18Å; L327-M331 HydrophobicContact CG-CG 4.33Å; L327-M331 WeakPolarHBondContact O-CB 3.42Å; L327-M331 VanDerWaalsContact O-CG 3.26Å; L327-M331 WeakPolarHBondContact O-CG 3.19Å; L327-M331 PolarHBondContact O-N 2.98Å; L327-I364 HydrophobicContact CD1-CG1 4.27Å; L327-I364 HydrophobicContact CD1-CG2 4.09Å; L327-L393 HydrophobicContact CD2-CD2 4.02Å |
| 328 | Q | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 177.4 | -77.2 | 176.5 | -28.8 | 0 | 0 | 112.8 | G228 R324 R325 K326 R332 L393 | G228-Q328 PolarHBondContact O-NE2 3.34Å; R324-Q328 WeakPolarHBondContact O-CB 3.49Å; R324-Q328 VanDerWaalsContact O-CG 3.28Å; R324-Q328 WeakPolarHBondContact O-CG 3.25Å; R324-Q328 PolarHBondContact O-N 3.31Å; R325-Q328 PolarHBondContact O-N 2.9Å; K326-Q328 PolarHBondContact O-N 3.24Å; Q328-R332 WeakPolarHBondContact O-CB 3.27Å; Q328-R332 WeakPolarHBondContact O-CD 3.45Å; Q328-R332 WeakPolarHBondContact O-CG 3.44Å; Q328-R332 PolarHBondContact O-N 3.06Å; Q328-R332 VanDerWaalsContact O-N 3.15Å; Q328-L393 HydrophobicContact CB-CD1 4.36Å; Q328-L393 HydrophobicContact CG-CB 4.02Å; Q328-L393 HydrophobicContact CG-CD1 3.81Å; Q328-L393 HydrophobicContact CG-CD2 4.4Å; Q328-L393 HydrophobicContact CG-CG 4.31Å; Q328-L393 PolarHBondContact NE2-O 2.92Å |
| 329 | L | 95.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 31.2 Ų | 31.2 | 20% | 0.199 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.3 | -40.8 | 178.6 | -65.2 | 174.5 | 0 | 0 | 0 | 111.5 | L239 L244 M247 R325 K326 L327 R332 M333 | L239-L329 HydrophobicContact CD1-CD1 3.84Å; L244-L329 HydrophobicContact CD2-CD1 3.7Å; M247-L329 VanDerWaalsContact CE-C 3.48Å; M247-L329 HydrophobicContact CE-CB 4.07Å; M247-L329 WeakPolarHBondContact CE-O 3.39Å; R325-L329 HydrophobicContact CG-CD1 4.2Å; R325-L329 WeakPolarHBondContact O-CG 3.47Å; R325-L329 PolarHBondContact O-N 3.32Å; K326-L329 PolarHBondContact O-N 2.93Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 2.65Å; L329-R332 PolarHBondContact O-N 3Å; L329-M333 WeakPolarHBondContact O-CB 3.28Å; L329-M333 PolarHBondContact O-N 2.99Å |
| 330 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 177.7 | -177.6 | 61.1 | 0 | 0 | 0 | 111.4 | M247 Y279 L286 K326 L327 R332 M333 M334 F360 I364 | M247-L330 HydrophobicContact CE-CB 4.32Å; M247-L330 HydrophobicContact CE-CD1 4.39Å; Y279-L330 HydrophobicContact CD1-CD2 4.18Å; Y279-L330 HydrophobicContact CD2-CD1 4.34Å; Y279-L330 HydrophobicContact CE1-CD2 4.03Å; Y279-L330 HydrophobicContact CE2-CD1 4Å; L286-L330 HydrophobicContact CD1-CD2 3.77Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 3.01Å; L327-L330 PolarHBondContact O-N 3.05Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.05Å; L330-M333 HydrophobicContact CD1-CE 3.83Å; L330-M333 PolarHBondContact O-N 3.01Å; L330-M333 VanDerWaalsContact O-N 3.16Å; L330-M334 HydrophobicContact CD1-CG 4.26Å; L330-M334 HydrophobicContact CD1-SD 4.14Å; L330-M334 HydrophobicContact CD2-SD 4.46Å; L330-M334 HydrophobicContact CG-CG 4.44Å; L330-M334 HydrophobicContact CG-SD 3.82Å; L330-M334 VanDerWaalsContact O-CG 3.31Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.28Å; L330-F360 HydrophobicContact CD1-CD1 3.86Å; L330-F360 HydrophobicContact CD1-CD2 4.19Å; L330-F360 HydrophobicContact CD1-CE1 3.85Å; L330-F360 HydrophobicContact CD1-CE2 4.17Å; L330-F360 HydrophobicContact CD1-CG 4.04Å; L330-F360 HydrophobicContact CD1-CZ 4.02Å; L330-F360 HydrophobicContact CD2-CB 4.32Å; L330-F360 HydrophobicContact CD2-CD1 4.2Å; L330-F360 HydrophobicContact CD2-CG 4.31Å; L330-I364 HydrophobicContact CD2-CD1 4.03Å; L330-I364 HydrophobicContact CD2-CG1 3.99Å |
| 331 | M | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 177.7 | -71.8 | -65.5 | 140.9 | 0 | 0 | 112 | L327 M334 A335 I364 V382 L385 M386 Y389 L393 | L327-M331 HydrophobicContact CD1-CE 3.83Å; L327-M331 HydrophobicContact CD1-CG 4.18Å; L327-M331 HydrophobicContact CG-CG 4.33Å; L327-M331 WeakPolarHBondContact O-CB 3.42Å; L327-M331 VanDerWaalsContact O-CG 3.26Å; L327-M331 WeakPolarHBondContact O-CG 3.19Å; L327-M331 PolarHBondContact O-N 2.98Å; M331-M334 HydrophobicContact CE-SD 4.19Å; M331-A335 VanDerWaalsContact O-CB 3.26Å; M331-A335 WeakPolarHBondContact O-CB 3.31Å; M331-A335 PolarHBondContact O-N 2.96Å; M331-I364 HydrophobicContact CE-CD1 3.29Å; M331-I364 HydrophobicContact CE-CG1 4.22Å; M331-V382 HydrophobicContact CE-CG1 4.46Å; M331-L385 HydrophobicContact CE-CB 4.24Å; M331-L385 HydrophobicContact CE-CD1 4.2Å; M331-L385 HydrophobicContact SD-CB 3.93Å; M331-M386 HydrophobicContact SD-CB 4.48Å; M331-Y389 HydrophobicContact CB-CD2 4.4Å; M331-Y389 HydrophobicContact CB-CG 4.26Å; M331-L393 HydrophobicContact CB-CD1 4.1Å; M331-L393 HydrophobicContact CG-CD1 4.11Å |
| 332 | R | 94.8 | Very high | 93.6 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.8 | -76.9 | 172 | -174.7 | -150.1 | -0.9 | 112.2 | Q227 V229 Q328 L329 L330 R336 Y389 | Q227-R332 PolarHBondContact O-NH2 2.8Å; V229-R332 VanDerWaalsContact CG2-NH2 3.33Å; Q328-R332 WeakPolarHBondContact O-CB 3.27Å; Q328-R332 WeakPolarHBondContact O-CD 3.45Å; Q328-R332 WeakPolarHBondContact O-CG 3.44Å; Q328-R332 PolarHBondContact O-N 3.06Å; Q328-R332 VanDerWaalsContact O-N 3.15Å; L329-R332 PolarHBondContact O-N 3Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.05Å; R332-R336 VanDerWaalsContact O-CB 3.28Å; R332-R336 WeakPolarHBondContact O-CB 3.41Å; R332-R336 WeakPolarHBondContact O-CG 3.31Å; R332-R336 PolarHBondContact O-N 3.36Å; R332-Y389 HydrophobicContact CG-CD2 4.26Å; R332-Y389 HydrophobicContact CG-CE2 3.76Å |
| 333 | M | 95.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -52.3 | 177.5 | -178.8 | -160.6 | 76.8 | 0 | 0 | 110.6 | M247 A251 I275 L329 L330 A335 R336 I337 F360 | M247-M333 HydrophobicContact CB-CG 4.32Å; M247-M333 HydrophobicContact CB-SD 3.76Å; M247-M333 HydrophobicContact CE-CB 3.89Å; M247-M333 HydrophobicContact CE-CG 4.45Å; M247-M333 HydrophobicContact CE-SD 3.87Å; M247-M333 HydrophobicContact CG-SD 3.58Å; M247-M333 VanDerWaalsContact CG-SD 3.58Å; A251-M333 HydrophobicContact CB-CG 4.43Å; I275-M333 HydrophobicContact CD1-SD 3.99Å; I275-M333 HydrophobicContact CG2-CE 4.25Å; I275-M333 HydrophobicContact CG2-SD 4.29Å; L329-M333 WeakPolarHBondContact O-CB 3.28Å; L329-M333 PolarHBondContact O-N 2.99Å; L330-M333 HydrophobicContact CD1-CE 3.83Å; L330-M333 PolarHBondContact O-N 3.01Å; L330-M333 VanDerWaalsContact O-N 3.16Å; M333-A335 VanDerWaalsContact C-N 3.33Å; M333-A335 PolarHBondContact O-N 3.33Å; M333-R336 PolarHBondContact O-N 2.93Å; M333-I337 HydrophobicContact CE-CD1 4.2Å; M333-I337 HydrophobicContact CG-CD1 3.67Å; M333-I337 HydrophobicContact CG-CG1 4.35Å; M333-I337 VanDerWaalsContact O-CG1 3.28Å; M333-I337 WeakPolarHBondContact O-CG1 3.27Å; M333-I337 PolarHBondContact O-N 2.92Å; M333-I337 HydrophobicContact SD-CD1 4.23Å; M333-F360 HydrophobicContact CE-CE2 3.87Å; M333-F360 HydrophobicContact CE-CZ 3.86Å |
| 334 | M | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.7 | -47.6 | 179.3 | -68.9 | 169 | 70 | 0 | 0 | 111.5 | L330 M331 I337 C338 M356 F360 V382 M386 | L330-M334 HydrophobicContact CD1-CG 4.26Å; L330-M334 HydrophobicContact CD1-SD 4.14Å; L330-M334 HydrophobicContact CD2-SD 4.46Å; L330-M334 HydrophobicContact CG-CG 4.44Å; L330-M334 HydrophobicContact CG-SD 3.82Å; L330-M334 VanDerWaalsContact O-CG 3.31Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.28Å; M331-M334 HydrophobicContact CE-SD 4.19Å; M334-I337 PolarHBondContact O-N 3.44Å; M334-C338 WeakPolarHBondContact O-CB 3.39Å; M334-C338 PolarHBondContact O-N 3.22Å; M334-C338 PolarHBondContact O-SG 2.67Å; M334-M356 HydrophobicContact CB-SD 4.37Å; M334-M356 HydrophobicContact CE-CB 3.89Å; M334-M356 HydrophobicContact CG-CB 4.42Å; M334-M356 HydrophobicContact CG-SD 4.03Å; M334-F360 HydrophobicContact CE-CB 4.21Å; M334-F360 HydrophobicContact CE-CD2 4.07Å; M334-F360 HydrophobicContact CG-CD2 3.91Å; M334-F360 HydrophobicContact CG-CE2 4.18Å; M334-F360 HydrophobicContact SD-CB 4.12Å; M334-F360 HydrophobicContact SD-CD2 3.78Å; M334-F360 HydrophobicContact SD-CG 4.19Å; M334-V382 HydrophobicContact CE-CG1 3.78Å; M334-M386 HydrophobicContact CB-SD 4.09Å; M334-M386 HydrophobicContact CE-SD 4.05Å |
| 335 | A | 94.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M331 M333 C338 L339 Y389 | M331-A335 VanDerWaalsContact O-CB 3.26Å; M331-A335 WeakPolarHBondContact O-CB 3.31Å; M331-A335 PolarHBondContact O-N 2.96Å; M333-A335 VanDerWaalsContact C-N 3.33Å; M333-A335 PolarHBondContact O-N 3.33Å; A335-C338 PolarHBondContact O-N 2.99Å; A335-L339 WeakPolarHBondContact O-CB 3.44Å; A335-L339 WeakPolarHBondContact O-CG 3.38Å; A335-L339 PolarHBondContact O-N 2.84Å; A335-Y389 HydrophobicContact CB-CD1 3.99Å; A335-Y389 HydrophobicContact CB-CE1 3.43Å; A335-Y389 VanDerWaalsContact CB-CE1 3.43Å |
| 336 | R | 93.1 | Very high | 92.2 | Very high | 151 Ų | 151 | 48.5 Ų | 48.5 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.9 | -44.3 | 177.8 | -75.8 | -79.5 | -176.9 | 167.8 | 1.1 | 111.9 | A251 R332 M333 L339 N340 | A251-R336 HydrophobicContact CB-CB 4.01Å; A251-R336 HydrophobicContact CB-CG 4.43Å; R332-R336 VanDerWaalsContact O-CB 3.28Å; R332-R336 WeakPolarHBondContact O-CB 3.41Å; R332-R336 WeakPolarHBondContact O-CG 3.31Å; R332-R336 PolarHBondContact O-N 3.36Å; M333-R336 PolarHBondContact O-N 2.93Å; R336-L339 PolarHBondContact O-N 2.86Å; R336-N340 WeakPolarHBondContact O-CB 3.46Å; R336-N340 PolarHBondContact O-N 2.76Å; R336-N340 VanDerWaalsContact O-N 3.08Å |
| 337 | I | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.7 | -65.1 | 168.4 | 0 | 0 | 0 | 110.4 | L250 M333 M334 L339 N340 M343 L346 T352 M356 | L250-I337 HydrophobicContact CB-CD1 3.69Å; L250-I337 HydrophobicContact CB-CG1 4.08Å; L250-I337 HydrophobicContact CD1-CD1 4.15Å; M333-I337 HydrophobicContact CE-CD1 4.2Å; M333-I337 HydrophobicContact CG-CD1 3.67Å; M333-I337 HydrophobicContact CG-CG1 4.35Å; M333-I337 VanDerWaalsContact O-CG1 3.28Å; M333-I337 WeakPolarHBondContact O-CG1 3.27Å; M333-I337 PolarHBondContact O-N 2.92Å; M333-I337 HydrophobicContact SD-CD1 4.23Å; M334-I337 PolarHBondContact O-N 3.44Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.26Å; I337-N340 PolarHBondContact O-N 3.3Å; I337-M343 HydrophobicContact CG2-CG 4.01Å; I337-M343 HydrophobicContact CG2-SD 4.35Å; I337-L346 HydrophobicContact CG2-CD1 4.11Å; I337-T352 HydrophobicContact CG2-CG2 3.67Å; I337-M356 HydrophobicContact CB-CE 4.22Å; I337-M356 HydrophobicContact CD1-CE 3.86Å; I337-M356 HydrophobicContact CD1-SD 4.29Å; I337-M356 HydrophobicContact CG2-CE 3.64Å |
| 338 | C | 92.1 | Very high | 91 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -30.5 | 179.7 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | M334 A335 | M334-C338 WeakPolarHBondContact O-CB 3.39Å; M334-C338 PolarHBondContact O-N 3.22Å; M334-C338 PolarHBondContact O-SG 2.67Å; A335-C338 PolarHBondContact O-N 2.99Å |
| 339 | L | 91.1 | Very high | 90.2 | Very high | 138 Ų | 138 | 58.8 Ų | 58.8 | 72% | 0.723 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -85.8 | -13.2 | 178.8 | -67.8 | 170.8 | 0 | 0 | 0 | 113 | A335 R336 I337 K341 | A335-L339 WeakPolarHBondContact O-CB 3.44Å; A335-L339 WeakPolarHBondContact O-CG 3.38Å; A335-L339 PolarHBondContact O-N 2.84Å; R336-L339 PolarHBondContact O-N 2.86Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.26Å; L339-K341 PolarHBondContact O-N 3.02Å |
| 340 | N | 90 | Very high | 89.5 | Confident | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | trans | -82.8 | 116.5 | -176.2 | -170.6 | -4.1 | 0 | 0 | 0 | 111.4 | W253 R336 I337 E342 M343 | W253-N340 PolarHBondContact O-ND2 3.47Å; R336-N340 WeakPolarHBondContact O-CB 3.46Å; R336-N340 PolarHBondContact O-N 2.76Å; R336-N340 VanDerWaalsContact O-N 3.08Å; I337-N340 PolarHBondContact O-N 3.3Å; N340-E342 VanDerWaalsContact C-N 3.35Å; N340-E342 PolarHBondContact OD1-N 3.39Å; N340-M343 HydrophobicContact CB-CB 4.1Å | ||
| 341 | K | 86.2 | Confident | 89.1 | Confident | 206 Ų | 206 | 64.2 Ų | 64.2 | 90% | 0.896 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -21.6 | 178.8 | -62.9 | -177.9 | -179.4 | 179.6 | 0 | 113.4 | L339 M343 | L339-K341 PolarHBondContact O-N 3.02Å; K341-M343 VanDerWaalsContact C-N 3.29Å |
| 342 | E | 86.9 | Confident | 88.8 | Confident | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4.5 | 179.5 | -58.8 | -172.4 | 107.8 | 0 | 0 | 112.3 | W253 N340 P344 | W253-E342 PolarHBondContact NE1-O 2.63Å; N340-E342 VanDerWaalsContact C-N 3.35Å; N340-E342 PolarHBondContact OD1-N 3.39Å; E342-P344 VanDerWaalsContact O-CD 3.29Å; E342-P344 WeakPolarHBondContact O-CD 3.42Å |
| 343 | M | 87.9 | Confident | 88.7 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 119.8 | 179.4 | -170.2 | 76.8 | -142.4 | 0 | 0 | 110.5 | L250 W253 E268 I337 N340 K341 L346 | L250-M343 HydrophobicContact CD2-CE 4.17Å; W253-M343 HydrophobicContact CB-SD 3.78Å; W253-M343 HydrophobicContact CD2-CE 4.43Å; W253-M343 HydrophobicContact CD2-SD 4.35Å; W253-M343 HydrophobicContact CG-CE 4.44Å; W253-M343 HydrophobicContact CG-SD 3.77Å; E268-M343 HydrophobicContact CB-CE 3.67Å; E268-M343 HydrophobicContact CG-CE 4.01Å; I337-M343 HydrophobicContact CG2-CG 4.01Å; I337-M343 HydrophobicContact CG2-SD 4.35Å; N340-M343 HydrophobicContact CB-CB 4.1Å; K341-M343 VanDerWaalsContact C-N 3.29Å; M343-L346 HydrophobicContact CE-CD1 4.44Å; M343-L346 HydrophobicContact CE-CD2 3.5Å; M343-L346 VanDerWaalsContact CE-CD2 3.5Å; M343-L346 HydrophobicContact CE-CG 4.02Å |
| 344 | P | 87.3 | Confident | 88.6 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 159.6 | 172.6 | 27.5 | -35.3 | 0 | 0 | 0 | 111.9 | W253 E268 E342 L346 | W253-P344 HydrophobicContact CZ2-CG 4.22Å; W253-P344 VanDerWaalsContact NE1-CD 3.27Å; E268-P344 HydrophobicContact CG-CG 3.81Å; E342-P344 VanDerWaalsContact O-CD 3.29Å; E342-P344 WeakPolarHBondContact O-CD 3.42Å; P344-L346 PolarHBondContact O-N 3.07Å |
| 345 | P | 87.3 | Confident | 88.5 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 118.6 | 179.6 | 26 | -33.3 | 0 | 0 | 0 | 111.1 | K269 C347 | K269-P345 WeakPolarHBondContact CE-O 3.29Å; P345-C347 VanDerWaalsContact C-N 3.31Å; P345-C347 PolarHBondContact O-N 3.32Å |
| 346 | L | 87.6 | Confident | 88.5 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -73.6 | -21.6 | -179 | -70.4 | 173.3 | 0 | 0 | 0 | 113.4 | E268 F272 I337 M343 P344 L355 M356 | E268-L346 HydrophobicContact CB-CD2 4.02Å; E268-L346 HydrophobicContact CG-CD2 3.8Å; F272-L346 HydrophobicContact CB-CD1 4.34Å; F272-L346 HydrophobicContact CB-CD2 3.93Å; F272-L346 HydrophobicContact CD2-CD1 3.81Å; F272-L346 HydrophobicContact CE2-CD1 4.26Å; F272-L346 HydrophobicContact CG-CD1 3.97Å; F272-L346 HydrophobicContact CG-CD2 4.36Å; I337-L346 HydrophobicContact CG2-CD1 4.11Å; M343-L346 HydrophobicContact CE-CD1 4.44Å; M343-L346 HydrophobicContact CE-CD2 3.5Å; M343-L346 VanDerWaalsContact CE-CD2 3.5Å; M343-L346 HydrophobicContact CE-CG 4.02Å; P344-L346 PolarHBondContact O-N 3.07Å; L346-L355 HydrophobicContact CB-CD2 3.53Å; L346-L355 HydrophobicContact CD1-CD2 4.49Å; L346-M356 HydrophobicContact CD1-CE 3.37Å |
| 347 | C | 86.9 | Confident | 88.6 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -145.2 | 136.1 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | P345 G349 L355 | P345-C347 VanDerWaalsContact C-N 3.31Å; P345-C347 PolarHBondContact O-N 3.32Å; C347-G349 PolarHBondContact O-N 2.97Å; C347-L355 HydrophobicContact CB-CD1 3.9Å; C347-L355 HydrophobicContact CB-CD2 3.69Å; C347-L355 HydrophobicContact CB-CG 4.39Å |
| 348 | D | 78.4 | Confident | 88.6 | Confident | 130 Ų | 130 | 68 Ų | 68 | 70% | 0.695 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 96.8 | 180 | -52.1 | -48.8 | 0 | 0 | 0 | 108.3 | K269 | K269-D348 IonicContact NZ-OD1 2.79Å; K269-D348 PolarHBondContact NZ-OD1 3.44Å; K269-D348 VanDerWaalsContact NZ-OD1 3.11Å; K269-D348 IonicContact NZ-OD2 3.92Å; K269-D348 PolarHBondContact NZ-OD2 3.42Å |
| 349 | G | 78.1 | Confident | 88.7 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.7 | -19.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C347 | C347-G349 PolarHBondContact O-N 2.97Š|
| 350 | F | 81.2 | Confident | 88.9 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -120.2 | 141.7 | 177.7 | -62.9 | -80.5 | 0 | 0 | 0 | 111.1 | T354 L355 | F350-T354 HydrophobicContact CD1-CG2 4.17Å; F350-L355 HydrophobicContact CB-CB 4.4Å |
| 351 | G | 87.9 | Confident | 89 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | trans | -63.2 | 144 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R353 T354 L355 | G351-R353 PolarHBondContact O-N 3.25Å; G351-T354 PolarHBondContact O-N 2.9Å; G351-L355 PolarHBondContact O-N 3.22Å | ||
| 352 | T | 90.9 | Very high | 89.3 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 23% | 0.233 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -48.3 | -41.5 | -177.8 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | I337 L355 M356 | I337-T352 HydrophobicContact CG2-CG2 3.67Å; T352-L355 PolarHBondContact O-N 2.72Å; T352-M356 HydrophobicContact CG2-CE 4.26Å; T352-M356 VanDerWaalsContact O-CG 3.22Å; T352-M356 WeakPolarHBondContact O-CG 3.31Å; T352-M356 PolarHBondContact O-N 2.98Å |
| 353 | R | 91.9 | Very high | 89.6 | Confident | 100 Ų | 100 | 52 Ų | 52 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 177.8 | -165.8 | -176.9 | -174.4 | -89.1 | 4.1 | 112.8 | G351 L355 M356 V357 T383 M386 D387 | G351-R353 PolarHBondContact O-N 3.25Å; R353-L355 VanDerWaalsContact C-N 3.32Å; R353-M356 PolarHBondContact O-N 3.47Å; R353-V357 WeakPolarHBondContact O-CG2 3.46Å; R353-V357 PolarHBondContact O-N 3.04Å; R353-V357 VanDerWaalsContact O-N 3.12Å; R353-T383 VanDerWaalsContact NH2-CG2 3.29Å; R353-M386 HydrophobicContact CG-CE 3.48Å; R353-M386 VanDerWaalsContact CG-CE 3.48Å; R353-D387 IonicContact CZ-OD1 3.22Å; R353-D387 IonicContact NE-OD1 3.58Å; R353-D387 IonicContact NH2-OD1 3.3Å; R353-D387 PolarHBondContact NH2-OD1 3.27Å; R353-D387 IonicContact NH2-OD2 3.08Å; R353-D387 PolarHBondContact NH2-OD2 2.66Å |
| 354 | T | 92.8 | Very high | 89.9 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 179.3 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | F350 G351 V357 Q358 | F350-T354 HydrophobicContact CD1-CG2 4.17Å; G351-T354 PolarHBondContact O-N 2.9Å; T354-V357 PolarHBondContact O-N 2.86Å; T354-Q358 HydrophobicContact CG2-CG 4.32Å; T354-Q358 WeakPolarHBondContact O-CB 3.45Å; T354-Q358 WeakPolarHBondContact O-CG 3.48Å; T354-Q358 PolarHBondContact O-N 3.44Å |
| 355 | L | 93.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 175.5 | -177.7 | 68 | 0 | 0 | 0 | 111.2 | F272 L346 C347 F350 G351 T352 R353 V357 Q358 T359 | F272-L355 HydrophobicContact CD1-CD2 4.45Å; F272-L355 HydrophobicContact CE1-CD1 4.32Å; F272-L355 HydrophobicContact CE1-CD2 3.8Å; F272-L355 HydrophobicContact CE1-CG 4Å; F272-L355 HydrophobicContact CZ-CD2 4.01Å; F272-L355 HydrophobicContact CZ-CG 3.95Å; L346-L355 HydrophobicContact CB-CD2 3.53Å; L346-L355 HydrophobicContact CD1-CD2 4.49Å; C347-L355 HydrophobicContact CB-CD1 3.9Å; C347-L355 HydrophobicContact CB-CD2 3.69Å; C347-L355 HydrophobicContact CB-CG 4.39Å; F350-L355 HydrophobicContact CB-CB 4.4Å; G351-L355 PolarHBondContact O-N 3.22Å; T352-L355 PolarHBondContact O-N 2.72Å; R353-L355 VanDerWaalsContact C-N 3.32Å; L355-V357 VanDerWaalsContact C-N 3.34Å; L355-V357 PolarHBondContact O-N 3.43Å; L355-Q358 PolarHBondContact O-N 2.96Å; L355-T359 VanDerWaalsContact O-CB 3.28Å; L355-T359 WeakPolarHBondContact O-CB 3.23Å; L355-T359 PolarHBondContact O-N 3.32Å; L355-T359 PolarHBondContact O-OG1 3.5Å |
| 356 | M | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 178.4 | -68.9 | -67.9 | 144.7 | 0 | 0 | 112 | F272 M334 I337 L346 T352 R353 F360 | F272-M356 HydrophobicContact CD2-CE 3.84Å; F272-M356 HydrophobicContact CE2-CE 3.33Å; F272-M356 HydrophobicContact CE2-SD 3.82Å; F272-M356 HydrophobicContact CZ-CE 4.09Å; M334-M356 HydrophobicContact CB-SD 4.37Å; M334-M356 HydrophobicContact CE-CB 3.89Å; M334-M356 HydrophobicContact CG-CB 4.42Å; M334-M356 HydrophobicContact CG-SD 4.03Å; I337-M356 HydrophobicContact CB-CE 4.22Å; I337-M356 HydrophobicContact CD1-CE 3.86Å; I337-M356 HydrophobicContact CD1-SD 4.29Å; I337-M356 HydrophobicContact CG2-CE 3.64Å; L346-M356 HydrophobicContact CD1-CE 3.37Å; T352-M356 HydrophobicContact CG2-CE 4.26Å; T352-M356 VanDerWaalsContact O-CG 3.22Å; T352-M356 WeakPolarHBondContact O-CG 3.31Å; T352-M356 PolarHBondContact O-N 2.98Å; R353-M356 PolarHBondContact O-N 3.47Å; M356-F360 WeakPolarHBondContact O-CD2 3.24Å; M356-F360 PolarHBondContact O-N 3.42Å; M356-F360 VanDerWaalsContact O-N 3.14Å; M356-F360 HydrophobicContact SD-CD2 4.41Å; M356-F360 HydrophobicContact SD-CE2 3.93Å |
| 357 | V | 94.7 | Very high | 90 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -47.5 | -179 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | R353 T354 L355 S361 A379 V382 M386 | R353-V357 WeakPolarHBondContact O-CG2 3.46Å; R353-V357 PolarHBondContact O-N 3.04Å; R353-V357 VanDerWaalsContact O-N 3.12Å; T354-V357 PolarHBondContact O-N 2.86Å; L355-V357 VanDerWaalsContact C-N 3.34Å; L355-V357 PolarHBondContact O-N 3.43Å; V357-S361 WeakPolarHBondContact O-CA 3.2Å; V357-S361 WeakPolarHBondContact O-CB 3.17Å; V357-S361 PolarHBondContact O-N 2.67Å; V357-S361 PolarHBondContact O-OG 2.92Å; V357-A379 HydrophobicContact CG1-CB 3.9Å; V357-A379 WeakPolarHBondContact CG1-O 3.01Å; V357-V382 HydrophobicContact CG1-CG1 4.45Å; V357-V382 HydrophobicContact CG2-CG1 4.42Å; V357-M386 HydrophobicContact CG2-CE 4.05Å |
| 358 | Q | 92.3 | Very high | 89.6 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | -179.3 | -74.4 | -179.4 | -29.6 | 0 | 0 | 111.5 | T354 L355 F360 S361 | T354-Q358 HydrophobicContact CG2-CG 4.32Å; T354-Q358 WeakPolarHBondContact O-CB 3.45Å; T354-Q358 WeakPolarHBondContact O-CG 3.48Å; T354-Q358 PolarHBondContact O-N 3.44Å; L355-Q358 PolarHBondContact O-N 2.96Å; Q358-F360 PolarHBondContact O-N 2.81Å; Q358-S361 PolarHBondContact O-OG 2.88Å |
| 359 | T | 93.8 | Very high | 89.4 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | -177.7 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | F272 A276 L355 | F272-T359 HydrophobicContact CE1-CG2 4.34Å; F272-T359 HydrophobicContact CZ-CG2 3.9Å; A276-T359 HydrophobicContact CB-CG2 3.49Å; A276-T359 VanDerWaalsContact CB-CG2 3.49Å; L355-T359 VanDerWaalsContact O-CB 3.28Å; L355-T359 WeakPolarHBondContact O-CB 3.23Å; L355-T359 PolarHBondContact O-N 3.32Å; L355-T359 PolarHBondContact O-OG1 3.5Å |
| 360 | F | 95.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -101.7 | -5.5 | -173.7 | -62.2 | -64.2 | 0 | 0 | 0 | 114.6 | F272 I275 Y279 L330 M333 M334 M356 Q358 R362 C363 I364 | F272-F360 AromaticContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CZ 4.1Å; F272-F360 HydrophobicContact CZ-CE2 4.36Å; I275-F360 HydrophobicContact CG2-CE1 4.26Å; I275-F360 HydrophobicContact CG2-CZ 4.08Å; Y279-F360 HydrophobicContact CD2-CD1 4.47Å; Y279-F360 AromaticContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CG-CD1 4.37Å; Y279-F360 HydrophobicContact CG-CE1 4.26Å; L330-F360 HydrophobicContact CD1-CD1 3.86Å; L330-F360 HydrophobicContact CD1-CD2 4.19Å; L330-F360 HydrophobicContact CD1-CE1 3.85Å; L330-F360 HydrophobicContact CD1-CE2 4.17Å; L330-F360 HydrophobicContact CD1-CG 4.04Å; L330-F360 HydrophobicContact CD1-CZ 4.02Å; L330-F360 HydrophobicContact CD2-CB 4.32Å; L330-F360 HydrophobicContact CD2-CD1 4.2Å; L330-F360 HydrophobicContact CD2-CG 4.31Å; M333-F360 HydrophobicContact CE-CE2 3.87Å; M333-F360 HydrophobicContact CE-CZ 3.86Å; M334-F360 HydrophobicContact CE-CB 4.21Å; M334-F360 HydrophobicContact CE-CD2 4.07Å; M334-F360 HydrophobicContact CG-CD2 3.91Å; M334-F360 HydrophobicContact CG-CE2 4.18Å; M334-F360 HydrophobicContact SD-CB 4.12Å; M334-F360 HydrophobicContact SD-CD2 3.78Å; M334-F360 HydrophobicContact SD-CG 4.19Å; M356-F360 WeakPolarHBondContact O-CD2 3.24Å; M356-F360 PolarHBondContact O-N 3.42Å; M356-F360 VanDerWaalsContact O-N 3.14Å; M356-F360 HydrophobicContact SD-CD2 4.41Å; M356-F360 HydrophobicContact SD-CE2 3.93Å; Q358-F360 PolarHBondContact O-N 2.81Å; F360-R362 PolarHBondContact O-N 3.15Å; F360-C363 PolarHBondContact O-N 3.22Å; F360-C363 PolarHBondContact O-SG 2.72Å; F360-I364 HydrophobicContact CB-CD1 3.95Å; F360-I364 WeakPolarHBondContact O-CD1 3.11Å; F360-I364 VanDerWaalsContact O-CG1 3.31Å; F360-I364 WeakPolarHBondContact O-CG1 3.3Å; F360-I364 PolarHBondContact O-N 3.39Å; F360-I364 VanDerWaalsContact O-N 3.14Å |
| 361 | S | 93.5 | Very high | 87.8 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -49.5 | -55.8 | 178.9 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | V357 Q358 C363 I364 L365 | V357-S361 WeakPolarHBondContact O-CA 3.2Å; V357-S361 WeakPolarHBondContact O-CB 3.17Å; V357-S361 PolarHBondContact O-N 2.67Å; V357-S361 PolarHBondContact O-OG 2.92Å; Q358-S361 PolarHBondContact O-OG 2.88Å; S361-C363 PolarHBondContact O-N 2.76Å; S361-I364 PolarHBondContact O-N 3.24Å; S361-L365 PolarHBondContact O-N 3.01Å; S361-L365 VanDerWaalsContact O-O 3.12Å |
| 362 | R | 90.8 | Very high | 86.4 | Confident | 158 Ų | 158 | 61 Ų | 61 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.9 | -30.4 | -174.5 | -171.2 | 172.3 | 172.9 | 142.6 | 1.3 | 113.9 | F360 C366 E370 | F360-R362 PolarHBondContact O-N 3.15Å; R362-C366 HydrophobicContact CG-CB 4.26Å; R362-C366 WeakPolarHBondContact O-CB 3.49Å; R362-C366 PolarHBondContact O-SG 2.95Å; R362-E370 IonicContact CZ-OE1 3.78Å; R362-E370 IonicContact NH1-OE1 2.85Å; R362-E370 IonicContact NH2-OE1 2.77Å; R362-E370 PolarHBondContact NH2-OE1 3.15Å |
| 363 | C | 93 | Very high | 85 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -80.5 | -20.9 | 176.8 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | Y279 P285 L286 F360 S361 | Y279-C363 VanDerWaalsContact O-CB 3.29Å; Y279-C363 WeakPolarHBondContact O-CB 3.16Å; P285-C363 CarbonylContact C-O 3.57Å; P285-C363 VanDerWaalsContact CA-O 3.29Å; P285-C363 WeakPolarHBondContact CA-O 3.22Å; L286-C363 PolarHBondContact N-O 2.92Å; F360-C363 PolarHBondContact O-N 3.22Å; F360-C363 PolarHBondContact O-SG 2.72Å; S361-C363 PolarHBondContact O-N 2.76Å |
| 364 | I | 94.8 | Very high | 84 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -86.2 | -52.1 | 177.5 | -67.1 | 160.1 | 0 | 0 | 0 | 110 | L286 L287 L327 L330 M331 F360 S361 L381 V382 L385 | L286-I364 HydrophobicContact CD1-CG1 4.19Å; L287-I364 VanDerWaalsContact CB-O 3.27Å; L287-I364 WeakPolarHBondContact CB-O 3.34Å; L287-I364 HydrophobicContact CD1-CG2 3.81Å; L287-I364 HydrophobicContact CG-CG2 3.93Å; L287-I364 WeakPolarHBondContact CG-O 3.29Å; L287-I364 PolarHBondContact N-O 3.28Å; L327-I364 HydrophobicContact CD1-CG1 4.27Å; L327-I364 HydrophobicContact CD1-CG2 4.09Å; L330-I364 HydrophobicContact CD2-CD1 4.03Å; L330-I364 HydrophobicContact CD2-CG1 3.99Å; M331-I364 HydrophobicContact CE-CD1 3.29Å; M331-I364 HydrophobicContact CE-CG1 4.22Å; F360-I364 HydrophobicContact CB-CD1 3.95Å; F360-I364 WeakPolarHBondContact O-CD1 3.11Å; F360-I364 VanDerWaalsContact O-CG1 3.31Å; F360-I364 WeakPolarHBondContact O-CG1 3.3Å; F360-I364 PolarHBondContact O-N 3.39Å; F360-I364 VanDerWaalsContact O-N 3.14Å; S361-I364 PolarHBondContact O-N 3.24Å; I364-L381 HydrophobicContact CG2-CD2 4.34Å; I364-V382 HydrophobicContact CB-CG2 3.83Å; I364-V382 HydrophobicContact CD1-CB 4.37Å; I364-V382 HydrophobicContact CD1-CG1 3.84Å; I364-V382 HydrophobicContact CD1-CG2 3.55Å; I364-V382 HydrophobicContact CG1-CG2 4.3Å; I364-V382 HydrophobicContact CG2-CG2 3.83Å; I364-L385 HydrophobicContact CG2-CD1 4.2Å |
| 365 | L | 92 | Very high | 83.5 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -134.9 | 122.2 | -179.6 | -171.7 | 82.9 | 0 | 0 | 0 | 109.4 | L287 F292 F295 V296 S361 A378 L381 | L287-L365 HydrophobicContact CB-CD1 4.38Å; L287-L365 HydrophobicContact CD1-CB 4.34Å; L287-L365 HydrophobicContact CD1-CD1 3.97Å; F292-L365 HydrophobicContact CD2-CD1 3.6Å; F292-L365 HydrophobicContact CD2-CD2 4.41Å; F292-L365 HydrophobicContact CD2-CG 3.81Å; F292-L365 HydrophobicContact CE2-CD1 4.06Å; F292-L365 HydrophobicContact CE2-CD2 4.02Å; F292-L365 HydrophobicContact CE2-CG 3.79Å; F292-L365 HydrophobicContact CG-CD1 4.49Å; F295-L365 HydrophobicContact CB-CD1 4.1Å; V296-L365 HydrophobicContact CG2-CD2 4.41Å; S361-L365 PolarHBondContact O-N 3.01Å; S361-L365 VanDerWaalsContact O-O 3.12Å; L365-A378 HydrophobicContact CB-CB 4.09Å; L365-A378 HydrophobicContact CD2-CB 4.17Å; L365-A378 WeakPolarHBondContact O-CB 3.4Å; L365-L381 HydrophobicContact CD2-CB 4.49Å; L365-L381 HydrophobicContact CD2-CD1 4.05Å |
| 366 | C | 88 | Confident | 83.2 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -147 | 146.8 | 166.3 | 61.1 | 0 | 0 | 0 | 0 | 109.4 | P285 F292 R362 | P285-C366 VanDerWaalsContact CD-SG 3.57Å; P285-C366 VanDerWaalsContact CG-SG 3.53Å; F292-C366 WeakPolarHBondContact CD2-O 3.14Å; R362-C366 HydrophobicContact CG-CB 4.26Å; R362-C366 WeakPolarHBondContact O-CB 3.49Å; R362-C366 PolarHBondContact O-SG 2.95Å | ||
| 367 | S | 84.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 22% | 0.217 | 36% | 0.359 | C | S | . | . | trans | -71.5 | 159.7 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | D369 D374 | S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 WeakPolarHBondContact CB-O 3.32Å; S367-D369 PolarHBondContact OG-N 3.17Å; S367-D369 PolarHBondContact OG-O 2.75Å; S367-D374 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 368 | K | 79.7 | Confident | 82.7 | Confident | 161 Ų | 161 | 71.3 Ų | 71.3 | 70% | 0.7 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -69.9 | -31.7 | 171.8 | -172.3 | 177.2 | 179.4 | -177.3 | 0 | 111.7 | F289 | F289-K368 HydrophobicContact CD1-CB 3.99Å; F289-K368 HydrophobicContact CE1-CB 4.28Å; F289-K368 HydrophobicContact CG-CB 4.35Å |
| 369 | D | 73.9 | Confident | 82.7 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 62% | 0.615 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -98.2 | 126.8 | 176.7 | -58.5 | -41 | 0 | 0 | 0 | 108 | S367 V371 | S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 WeakPolarHBondContact CB-O 3.32Å; S367-D369 PolarHBondContact OG-N 3.17Å; S367-D369 PolarHBondContact OG-O 2.75Å; D369-V371 HydrophobicContact CB-CG2 4.43Å; D369-V371 PolarHBondContact O-N 3.15Å |
| 370 | E | 61 | Low | 82.7 | Confident | 161 Ų | 161 | 71.7 Ų | 71.7 | 75% | 0.752 | 36% | 0.356 | S | S | * | . | trans | -70.2 | 99 | -178.7 | -64.9 | -156.3 | 166.6 | 0 | 0 | 110.6 | R362 | R362-E370 IonicContact CZ-OE1 3.78Å; R362-E370 IonicContact NH1-OE1 2.85Å; R362-E370 IonicContact NH2-OE1 2.77Å; R362-E370 PolarHBondContact NH2-OE1 3.15Å | ||
| 371 | V | 64.9 | Low | 82.7 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | trans | -117.7 | 131.6 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | D369 L373 D374 | D369-V371 HydrophobicContact CB-CG2 4.43Å; D369-V371 PolarHBondContact O-N 3.15Å; V371-L373 HydrophobicContact CG1-CB 4.41Å; V371-L373 PolarHBondContact O-N 3.07Å; V371-D374 WeakPolarHBondContact O-CB 3.39Å; V371-D374 PolarHBondContact O-N 2.97Å | ||
| 372 | D | 57.4 | Low | 82.7 | Confident | 156 Ų | 156 | 71.4 Ų | 71.4 | 83% | 0.834 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.8 | -176.7 | -62.4 | -38.4 | 0 | 0 | 0 | 114.3 | D374 | D372-D374 PolarHBondContact O-N 3.08Š|
| 373 | L | 61.2 | Low | 82.9 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 59% | 0.586 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.2 | -21.5 | 179.2 | -170.5 | 61 | 0 | 0 | 0 | 112.7 | V371 E375 L377 | V371-L373 HydrophobicContact CG1-CB 4.41Å; V371-L373 PolarHBondContact O-N 3.07Å; L373-E375 VanDerWaalsContact C-N 3.33Å; L373-E375 PolarHBondContact O-N 3.4Å; L373-L377 HydrophobicContact CG-CD1 4.35Å; L373-L377 WeakPolarHBondContact O-CG 3.22Å; L373-L377 PolarHBondContact O-N 3.31Å |
| 374 | D | 72.1 | Confident | 83 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72 | -29.2 | -173.4 | -62.7 | -25.8 | 0 | 0 | 0 | 112.4 | S367 V371 D372 L377 A378 | S367-D374 WeakPolarHBondContact CB-OD2 3.47Å; V371-D374 WeakPolarHBondContact O-CB 3.39Å; V371-D374 PolarHBondContact O-N 2.97Å; D372-D374 PolarHBondContact O-N 3.08Å; D374-L377 PolarHBondContact O-N 3.2Å; D374-A378 WeakPolarHBondContact O-CB 3.46Å; D374-A378 PolarHBondContact O-N 3.06Å |
| 375 | E | 81.1 | Confident | 83.1 | Confident | 133 Ų | 133 | 66.5 Ų | 66.5 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | -177.8 | -168.1 | 172.8 | -168 | 0 | 0 | 111.7 | L373 A379 | L373-E375 VanDerWaalsContact C-N 3.33Å; L373-E375 PolarHBondContact O-N 3.4Å; E375-A379 VanDerWaalsContact O-CB 3.23Å; E375-A379 WeakPolarHBondContact O-CB 3.25Å; E375-A379 PolarHBondContact O-N 3.01Å |
| 376 | L | 87.2 | Confident | 83.2 | Confident | 129 Ų | 129 | 66.8 Ų | 66.8 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.3 | -39.2 | 175.8 | -68 | 176.7 | 0 | 0 | 0 | 111.9 | R380 | L376-R380 VanDerWaalsContact O-CB 3.31Å; L376-R380 WeakPolarHBondContact O-CB 2.85Å; L376-R380 PolarHBondContact O-N 3.31Å |
| 377 | L | 88.8 | Confident | 83.5 | Confident | 46 Ų | 46 | 70 Ų | 70 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.8 | -68.3 | 175.7 | 0 | 0 | 0 | 110.9 | V296 L299 L373 D374 R380 L381 | V296-L377 HydrophobicContact CG1-CD1 4.43Å; L299-L377 HydrophobicContact CD1-CB 4.27Å; L299-L377 HydrophobicContact CD1-CD2 4.3Å; L373-L377 HydrophobicContact CG-CD1 4.35Å; L373-L377 WeakPolarHBondContact O-CG 3.22Å; L373-L377 PolarHBondContact O-N 3.31Å; D374-L377 PolarHBondContact O-N 3.2Å; L377-R380 PolarHBondContact O-N 3.13Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 PolarHBondContact O-N 2.81Å |
| 378 | A | 91.2 | Very high | 83.9 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L365 D374 R380 L381 V382 | L365-A378 HydrophobicContact CB-CB 4.09Å; L365-A378 HydrophobicContact CD2-CB 4.17Å; L365-A378 WeakPolarHBondContact O-CB 3.4Å; D374-A378 WeakPolarHBondContact O-CB 3.46Å; D374-A378 PolarHBondContact O-N 3.06Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.93Å; A378-L381 PolarHBondContact O-N 3.45Å; A378-V382 WeakPolarHBondContact O-CB 3.34Å; A378-V382 VanDerWaalsContact O-CG2 3.29Å; A378-V382 WeakPolarHBondContact O-CG2 3.45Å; A378-V382 PolarHBondContact O-N 3.11Å |
| 379 | A | 92.6 | Very high | 84.6 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V357 E375 T383 | V357-A379 HydrophobicContact CG1-CB 3.9Å; V357-A379 WeakPolarHBondContact CG1-O 3.01Å; E375-A379 VanDerWaalsContact O-CB 3.23Å; E375-A379 WeakPolarHBondContact O-CB 3.25Å; E375-A379 PolarHBondContact O-N 3.01Å; A379-T383 VanDerWaalsContact O-CB 3.23Å; A379-T383 WeakPolarHBondContact O-CB 3.28Å; A379-T383 PolarHBondContact O-N 3.25Å; A379-T383 PolarHBondContact O-OG1 3.47Å |
| 380 | R | 93.3 | Very high | 85.4 | Confident | 122 Ų | 122 | 63.7 Ų | 63.7 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176.4 | -174.6 | 177.1 | 177.8 | -162.3 | -5.1 | 112.2 | L302 L376 L377 A378 T383 F384 | L302-R380 HydrophobicContact CD1-CG 4.07Å; L376-R380 VanDerWaalsContact O-CB 3.31Å; L376-R380 WeakPolarHBondContact O-CB 2.85Å; L376-R380 PolarHBondContact O-N 3.31Å; L377-R380 PolarHBondContact O-N 3.13Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.93Å; R380-T383 WeakPolarHBondContact O-CB 3.37Å; R380-F384 PolarHBondContact O-N 3.41Å; R380-F384 VanDerWaalsContact O-N 3.12Å |
| 381 | L | 94.9 | Very high | 87 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 177.1 | -174.2 | 142.7 | 0 | 0 | 0 | 111.3 | L287 F295 L299 F312 I364 L365 L377 A378 T383 F384 L385 | L287-L381 HydrophobicContact CD1-CD1 4.48Å; L287-L381 HydrophobicContact CD1-CD2 3.84Å; F295-L381 HydrophobicContact CB-CD1 3.93Å; L299-L381 HydrophobicContact CD1-CB 4.06Å; L299-L381 HydrophobicContact CD1-CD1 4.1Å; L299-L381 HydrophobicContact CD2-CB 3.63Å; L299-L381 HydrophobicContact CD2-CD1 3.93Å; L299-L381 HydrophobicContact CD2-CG 3.94Å; L299-L381 HydrophobicContact CG-CB 4.32Å; L299-L381 HydrophobicContact CG-CD1 4.02Å; F312-L381 HydrophobicContact CE1-CD1 3.87Å; F312-L381 HydrophobicContact CE1-CG 4.2Å; F312-L381 HydrophobicContact CZ-CD1 4.19Å; F312-L381 HydrophobicContact CZ-CG 4.27Å; I364-L381 HydrophobicContact CG2-CD2 4.34Å; L365-L381 HydrophobicContact CD2-CB 4.49Å; L365-L381 HydrophobicContact CD2-CD1 4.05Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 PolarHBondContact O-N 2.81Å; A378-L381 PolarHBondContact O-N 3.45Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 3Å; L381-F384 PolarHBondContact O-N 2.95Å; L381-F384 VanDerWaalsContact O-N 3.14Å; L381-L385 HydrophobicContact CD2-CD1 3.38Å; L381-L385 HydrophobicContact CD2-CG 3.83Å; L381-L385 HydrophobicContact CG-CD1 4.48Å; L381-L385 HydrophobicContact CG-CG 4.48Å; L381-L385 WeakPolarHBondContact O-CG 3.5Å; L381-L385 PolarHBondContact O-N 3.13Å |
| 382 | V | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | -178.5 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | M331 M334 V357 I364 A378 F384 L385 M386 | M331-V382 HydrophobicContact CE-CG1 4.46Å; M334-V382 HydrophobicContact CE-CG1 3.78Å; V357-V382 HydrophobicContact CG1-CG1 4.45Å; V357-V382 HydrophobicContact CG2-CG1 4.42Å; I364-V382 HydrophobicContact CB-CG2 3.83Å; I364-V382 HydrophobicContact CD1-CB 4.37Å; I364-V382 HydrophobicContact CD1-CG1 3.84Å; I364-V382 HydrophobicContact CD1-CG2 3.55Å; I364-V382 HydrophobicContact CG1-CG2 4.3Å; I364-V382 HydrophobicContact CG2-CG2 3.83Å; A378-V382 WeakPolarHBondContact O-CB 3.34Å; A378-V382 VanDerWaalsContact O-CG2 3.29Å; A378-V382 WeakPolarHBondContact O-CG2 3.45Å; A378-V382 PolarHBondContact O-N 3.11Å; V382-F384 PolarHBondContact O-N 3.19Å; V382-L385 PolarHBondContact O-N 3.07Å; V382-M386 VanDerWaalsContact O-CB 3.25Å; V382-M386 WeakPolarHBondContact O-CB 3.29Å; V382-M386 PolarHBondContact O-N 2.9Å |
| 383 | T | 94.9 | Very high | 90.1 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 23% | 0.233 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.2 | -52.3 | 171.1 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | R353 A379 R380 L381 M386 D387 | R353-T383 VanDerWaalsContact NH2-CG2 3.29Å; A379-T383 VanDerWaalsContact O-CB 3.23Å; A379-T383 WeakPolarHBondContact O-CB 3.28Å; A379-T383 PolarHBondContact O-N 3.25Å; A379-T383 PolarHBondContact O-OG1 3.47Å; R380-T383 WeakPolarHBondContact O-CB 3.37Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 3Å; T383-M386 PolarHBondContact O-N 3.45Å; T383-D387 VanDerWaalsContact O-CG 3.27Å; T383-D387 PolarHBondContact O-N 3.38Å; T383-D387 VanDerWaalsContact O-N 3.14Å |
| 384 | F | 95.3 | Very high | 91.6 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 180 | -175.5 | -98.4 | 0 | 0 | 0 | 112.8 | L302 E305 A308 V309 F312 R380 L381 V382 M386 D387 N388 I392 | L302-F384 HydrophobicContact CD2-CB 4.06Å; L302-F384 HydrophobicContact CD2-CD1 3.53Å; L302-F384 HydrophobicContact CD2-CD2 3.55Å; L302-F384 HydrophobicContact CD2-CE1 3.75Å; L302-F384 HydrophobicContact CD2-CE2 3.77Å; L302-F384 HydrophobicContact CD2-CG 3.41Å; L302-F384 VanDerWaalsContact CD2-CG 3.41Å; L302-F384 HydrophobicContact CD2-CZ 3.87Å; E305-F384 HydrophobicContact CG-CE2 4.17Å; E305-F384 HydrophobicContact CG-CZ 4.21Å; A308-F384 HydrophobicContact CB-CE1 4.23Å; A308-F384 HydrophobicContact CB-CZ 4.05Å; V309-F384 HydrophobicContact CG2-CE1 4.34Å; V309-F384 HydrophobicContact CG2-CZ 4.08Å; F312-F384 AromaticContact CD2-CD1 3.92Å; F312-F384 HydrophobicContact CD2-CD1 3.92Å; F312-F384 AromaticContact CD2-CE1 3.65Å; F312-F384 HydrophobicContact CD2-CE1 3.65Å; F312-F384 AromaticContact CE2-CD1 3.46Å; F312-F384 HydrophobicContact CE2-CD1 3.46Å; F312-F384 VanDerWaalsContact CE2-CD1 3.46Å; F312-F384 AromaticContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CZ-CD1 4.33Å; R380-F384 PolarHBondContact O-N 3.41Å; R380-F384 VanDerWaalsContact O-N 3.12Å; L381-F384 PolarHBondContact O-N 2.95Å; L381-F384 VanDerWaalsContact O-N 3.14Å; V382-F384 PolarHBondContact O-N 3.19Å; F384-M386 VanDerWaalsContact C-N 3.31Å; F384-M386 PolarHBondContact O-N 2.87Å; F384-D387 PolarHBondContact O-N 3.36Å; F384-N388 VanDerWaalsContact CE2-ND2 3.33Å; F384-N388 WeakPolarHBondContact CE2-ND2 3.5Å; F384-N388 WeakPolarHBondContact O-CB 3.32Å; F384-N388 PolarHBondContact O-N 3.37Å; F384-I392 HydrophobicContact CD1-CD1 3.88Å; F384-I392 HydrophobicContact CE1-CD1 3.66Å |
| 385 | L | 95.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 175 | -77.1 | -174.8 | 0 | 0 | 0 | 111.2 | F312 M331 I364 L381 V382 D387 N388 Y389 I392 | F312-L385 HydrophobicContact CD1-CD2 4.25Å; F312-L385 HydrophobicContact CG-CD2 4.45Å; M331-L385 HydrophobicContact CE-CB 4.24Å; M331-L385 HydrophobicContact CE-CD1 4.2Å; M331-L385 HydrophobicContact SD-CB 3.93Å; I364-L385 HydrophobicContact CG2-CD1 4.2Å; L381-L385 HydrophobicContact CD2-CD1 3.38Å; L381-L385 HydrophobicContact CD2-CG 3.83Å; L381-L385 HydrophobicContact CG-CD1 4.48Å; L381-L385 HydrophobicContact CG-CG 4.48Å; L381-L385 WeakPolarHBondContact O-CG 3.5Å; L381-L385 PolarHBondContact O-N 3.13Å; V382-L385 PolarHBondContact O-N 3.07Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 3.34Å; L385-N388 CarbonylContact O-C 3.52Å; L385-N388 PolarHBondContact O-N 3.06Å; L385-Y389 WeakPolarHBondContact O-CA 3.32Å; L385-Y389 WeakPolarHBondContact O-CB 3.5Å; L385-Y389 PolarHBondContact O-N 3.24Å; L385-I392 HydrophobicContact CD2-CD1 3.82Å; L385-I392 HydrophobicContact CD2-CG2 3.77Å |
| 386 | M | 94.7 | Very high | 93 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.044 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.9 | -35.3 | -178.5 | -173.8 | 176.8 | 69.1 | 0 | 0 | 112.3 | M331 M334 R353 V357 V382 T383 F384 Y389 | M331-M386 HydrophobicContact SD-CB 4.48Å; M334-M386 HydrophobicContact CB-SD 4.09Å; M334-M386 HydrophobicContact CE-SD 4.05Å; R353-M386 HydrophobicContact CG-CE 3.48Å; R353-M386 VanDerWaalsContact CG-CE 3.48Å; V357-M386 HydrophobicContact CG2-CE 4.05Å; V382-M386 VanDerWaalsContact O-CB 3.25Å; V382-M386 WeakPolarHBondContact O-CB 3.29Å; V382-M386 PolarHBondContact O-N 2.9Å; T383-M386 PolarHBondContact O-N 3.45Å; F384-M386 VanDerWaalsContact C-N 3.31Å; F384-M386 PolarHBondContact O-N 2.87Å; M386-Y389 WeakPolarHBondContact O-CD1 3.34Å |
| 387 | D | 93.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73 | -32.4 | 177.5 | -63.4 | -26 | 0 | 0 | 0 | 111.8 | R353 T383 F384 L385 | R353-D387 IonicContact CZ-OD1 3.22Å; R353-D387 IonicContact NE-OD1 3.58Å; R353-D387 IonicContact NH2-OD1 3.3Å; R353-D387 PolarHBondContact NH2-OD1 3.27Å; R353-D387 IonicContact NH2-OD2 3.08Å; R353-D387 PolarHBondContact NH2-OD2 2.66Å; T383-D387 VanDerWaalsContact O-CG 3.27Å; T383-D387 PolarHBondContact O-N 3.38Å; T383-D387 VanDerWaalsContact O-N 3.14Å; F384-D387 PolarHBondContact O-N 3.36Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 3.34Å |
| 388 | N | 94.3 | Very high | 93.3 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -116.3 | 13.9 | -171.9 | -74.5 | -65.9 | 0 | 0 | 0 | 115 | E305 V309 F384 L385 Q390 E391 I392 | E305-N388 PolarHBondContact OE1-ND2 2.92Å; E305-N388 PolarHBondContact OE1-OD1 2.92Å; V309-N388 HydrophobicContact CG2-CB 4.3Å; F384-N388 VanDerWaalsContact CE2-ND2 3.33Å; F384-N388 WeakPolarHBondContact CE2-ND2 3.5Å; F384-N388 WeakPolarHBondContact O-CB 3.32Å; F384-N388 PolarHBondContact O-N 3.37Å; L385-N388 CarbonylContact O-C 3.52Å; L385-N388 PolarHBondContact O-N 3.06Å; N388-Q390 PolarHBondContact O-N 2.87Å; N388-E391 PolarHBondContact O-N 3.39Å; N388-I392 HydrophobicContact CB-CD1 3.58Å; N388-I392 HydrophobicContact CB-CG1 4.02Å; N388-I392 WeakPolarHBondContact O-CG1 3.45Å; N388-I392 PolarHBondContact O-N 3.32Å |
| 389 | Y | 93.5 | Very high | 93.3 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 12% | 0.122 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -30.9 | -169.6 | 78 | -82.4 | 0 | 0 | 0 | 113.8 | M331 R332 A335 L385 M386 E391 L393 | M331-Y389 HydrophobicContact CB-CD2 4.4Å; M331-Y389 HydrophobicContact CB-CG 4.26Å; R332-Y389 HydrophobicContact CG-CD2 4.26Å; R332-Y389 HydrophobicContact CG-CE2 3.76Å; A335-Y389 HydrophobicContact CB-CD1 3.99Å; A335-Y389 HydrophobicContact CB-CE1 3.43Å; A335-Y389 VanDerWaalsContact CB-CE1 3.43Å; L385-Y389 WeakPolarHBondContact O-CA 3.32Å; L385-Y389 WeakPolarHBondContact O-CB 3.5Å; L385-Y389 PolarHBondContact O-N 3.24Å; M386-Y389 WeakPolarHBondContact O-CD1 3.34Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; Y389-L393 VanDerWaalsContact O-CB 3.31Å; Y389-L393 WeakPolarHBondContact O-CB 3.4Å; Y389-L393 WeakPolarHBondContact O-CG 3.42Å; Y389-L393 PolarHBondContact O-N 2.97Å |
| 390 | Q | 91.6 | Very high | 93.3 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.5 | -36.5 | -179.2 | -65.5 | -172.9 | -6.4 | 0 | 0 | 111.9 | N388 K394 | N388-Q390 PolarHBondContact O-N 2.87Å; Q390-K394 WeakPolarHBondContact O-CD 3.49Å; Q390-K394 WeakPolarHBondContact O-CE 3.17Å; Q390-K394 WeakPolarHBondContact O-CG 3.41Å |
| 391 | E | 93.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -87 | -44.4 | 177.5 | -59 | -47.5 | 126.4 | 0 | 0 | 110.6 | V309 Q313 N388 Y389 L393 K394 | V309-E391 HydrophobicContact CG1-CB 3.79Å; Q313-E391 WeakPolarHBondContact CG-O 3.43Å; Q313-E391 PolarHBondContact NE2-O 3.11Å; N388-E391 PolarHBondContact O-N 3.39Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.11Å; E391-K394 PolarHBondContact O-N 2.65Å; E391-K394 IonicContact OE1-NZ 2.63Å; E391-K394 PolarHBondContact OE1-NZ 3.07Å; E391-K394 IonicContact OE2-NZ 3.65Å; E391-K394 PolarHBondContact OE2-NZ 3.38Å |
| 392 | I | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | -177.2 | -69.9 | 174.1 | 0 | 0 | 0 | 112.8 | V309 F312 Q313 F384 L385 N388 | V309-I392 HydrophobicContact CB-CG1 4.34Å; V309-I392 HydrophobicContact CG1-CG1 4.08Å; V309-I392 HydrophobicContact CG2-CD1 4.5Å; V309-I392 HydrophobicContact CG2-CG1 4.09Å; F312-I392 HydrophobicContact CB-CB 4.42Å; F312-I392 HydrophobicContact CB-CD1 4.24Å; F312-I392 HydrophobicContact CB-CG1 4.12Å; F312-I392 HydrophobicContact CB-CG2 3.56Å; F312-I392 HydrophobicContact CD2-CD1 4.07Å; F312-I392 HydrophobicContact CG-CD1 4.35Å; F312-I392 HydrophobicContact CG-CG2 4.43Å; Q313-I392 WeakPolarHBondContact CA-O 3.26Å; Q313-I392 VanDerWaalsContact CG-O 3.24Å; Q313-I392 WeakPolarHBondContact CG-O 3.38Å; F384-I392 HydrophobicContact CD1-CD1 3.88Å; F384-I392 HydrophobicContact CE1-CD1 3.66Å; L385-I392 HydrophobicContact CD2-CD1 3.82Å; L385-I392 HydrophobicContact CD2-CG2 3.77Å; N388-I392 HydrophobicContact CB-CD1 3.58Å; N388-I392 HydrophobicContact CB-CG1 4.02Å; N388-I392 WeakPolarHBondContact O-CG1 3.45Å; N388-I392 PolarHBondContact O-N 3.32Å |
| 393 | L | 92.6 | Very high | 93 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 5.8 | -174.6 | -58.6 | 173.7 | 0 | 0 | 0 | 113.6 | C316 R324 L327 Q328 M331 Y389 E391 | C316-L393 HydrophobicContact CB-CD2 4.41Å; R324-L393 PolarHBondContact NH2-O 3.46Å; L327-L393 HydrophobicContact CD2-CD2 4.02Å; Q328-L393 HydrophobicContact CB-CD1 4.36Å; Q328-L393 HydrophobicContact CG-CB 4.02Å; Q328-L393 HydrophobicContact CG-CD1 3.81Å; Q328-L393 HydrophobicContact CG-CD2 4.4Å; Q328-L393 HydrophobicContact CG-CG 4.31Å; Q328-L393 PolarHBondContact NE2-O 2.92Å; M331-L393 HydrophobicContact CB-CD1 4.1Å; M331-L393 HydrophobicContact CG-CD1 4.11Å; Y389-L393 VanDerWaalsContact O-CB 3.31Å; Y389-L393 WeakPolarHBondContact O-CB 3.4Å; Y389-L393 WeakPolarHBondContact O-CG 3.42Å; Y389-L393 PolarHBondContact O-N 2.97Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.11Å |
| 394 | K | 92.3 | Very high | 92.8 | Very high | 97 Ų | 97 | 47.6 Ų | 47.6 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -76.2 | 161.3 | 169 | -81.1 | 168.6 | -171.5 | 170.7 | 0 | 111.1 | Q390 E391 | Q390-K394 WeakPolarHBondContact O-CD 3.49Å; Q390-K394 WeakPolarHBondContact O-CE 3.17Å; Q390-K394 WeakPolarHBondContact O-CG 3.41Å; E391-K394 PolarHBondContact O-N 2.65Å; E391-K394 IonicContact OE1-NZ 2.63Å; E391-K394 PolarHBondContact OE1-NZ 3.07Å; E391-K394 IonicContact OE2-NZ 3.65Å; E391-K394 PolarHBondContact OE2-NZ 3.38Å |
| 395 | V | 91.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | trans | -80.3 | 127.8 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | V221 V224 L397 | V221-V395 HydrophobicContact CB-CG1 4.3Å; V221-V395 HydrophobicContact CG1-CG1 3.99Å; V221-V395 HydrophobicContact CG2-CG1 4.09Å; V224-V395 HydrophobicContact CG1-CG2 4.26Å; V395-L397 PolarHBondContact O-N 2.63Å; V395-L397 VanDerWaalsContact O-N 3.08Å | ||
| 396 | P | 92.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | trans | -71.4 | 101.1 | 176.6 | 27.8 | -32.4 | 0 | 0 | 0 | 110.3 | Q313 I314 L317 D398 L399 Q400 | Q313-P396 HydrophobicContact CB-CG 4.47Å; I314-P396 HydrophobicContact CD1-CB 4.4Å; I314-P396 HydrophobicContact CD1-CG 3.88Å; L317-P396 HydrophobicContact CD1-CG 3.72Å; P396-D398 VanDerWaalsContact C-N 3.3Å; P396-D398 PolarHBondContact O-N 2.76Å; P396-L399 HydrophobicContact CB-CB 4.27Å; P396-L399 HydrophobicContact CG-CB 4.16Å; P396-L399 HydrophobicContact CG-CD2 4.3Å; P396-L399 PolarHBondContact O-N 2.73Å; P396-Q400 PolarHBondContact O-N 3.44Å; P396-Q400 VanDerWaalsContact O-N 3.15Å | ||
| 397 | L | 90.8 | Very high | 91.8 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | -176.5 | -66.2 | 175.1 | 0 | 0 | 0 | 112.3 | V395 L399 Q400 T401 | V395-L397 PolarHBondContact O-N 2.63Å; V395-L397 VanDerWaalsContact O-N 3.08Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.05Å; L397-Q400 PolarHBondContact O-N 3.35Å; L397-Q400 VanDerWaalsContact O-N 3.15Å; L397-T401 WeakPolarHBondContact O-CB 3.3Å; L397-T401 PolarHBondContact O-N 3.37Å; L397-T401 PolarHBondContact O-OG1 2.86Å; L397-T401 VanDerWaalsContact O-OG1 3.1Å |
| 398 | D | 90.4 | Very high | 91.5 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.8 | -40.6 | 179.6 | -62.9 | -37.7 | 0 | 0 | 0 | 112.2 | P396 S402 | P396-D398 VanDerWaalsContact C-N 3.3Å; P396-D398 PolarHBondContact O-N 2.76Å; D398-S402 VanDerWaalsContact O-CB 3.29Å; D398-S402 WeakPolarHBondContact O-CB 3.31Å; D398-S402 PolarHBondContact O-N 3.21Å; D398-S402 PolarHBondContact O-OG 3.23Å |
| 399 | L | 91.6 | Very high | 91 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 174 | 177.8 | 68.5 | 0 | 0 | 0 | 110.3 | T190 Y193 I314 L317 P396 L397 S402 I403 | T190-L399 HydrophobicContact CG2-CD2 4.15Å; Y193-L399 HydrophobicContact CD2-CD1 4.41Å; Y193-L399 HydrophobicContact CG-CD1 4.15Å; I314-L399 HydrophobicContact CD1-CB 4.42Å; I314-L399 HydrophobicContact CD1-CD2 3.54Å; I314-L399 HydrophobicContact CD1-CG 4.45Å; L317-L399 HydrophobicContact CD1-CD2 4.03Å; P396-L399 HydrophobicContact CB-CB 4.27Å; P396-L399 HydrophobicContact CG-CB 4.16Å; P396-L399 HydrophobicContact CG-CD2 4.3Å; P396-L399 PolarHBondContact O-N 2.73Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.05Å; L399-S402 PolarHBondContact O-N 3.49Å; L399-I403 HydrophobicContact CD1-CD1 3.69Å; L399-I403 HydrophobicContact CD1-CG1 4.23Å; L399-I403 HydrophobicContact CD2-CD1 4.32Å; L399-I403 HydrophobicContact CG-CD1 3.72Å; L399-I403 VanDerWaalsContact O-CG1 3.32Å; L399-I403 WeakPolarHBondContact O-CG1 3.3Å; L399-I403 PolarHBondContact O-N 3Å |
| 400 | Q | 93 | Very high | 90.3 | Very high | 32 Ų | 32 | 57.6 Ų | 57.6 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 180 | 176.9 | 179.1 | 4.8 | 0 | 0 | 111.4 | W186 V221 P396 L397 S402 I403 E404 | W186-Q400 HydrophobicContact CH2-CB 4.23Å; W186-Q400 HydrophobicContact CH2-CG 4.15Å; V221-Q400 HydrophobicContact CG1-CB 4.47Å; V221-Q400 HydrophobicContact CG1-CG 4.06Å; P396-Q400 PolarHBondContact O-N 3.44Å; P396-Q400 VanDerWaalsContact O-N 3.15Å; L397-Q400 PolarHBondContact O-N 3.35Å; L397-Q400 VanDerWaalsContact O-N 3.15Å; Q400-S402 VanDerWaalsContact C-N 3.35Å; Q400-S402 PolarHBondContact O-N 2.85Å; Q400-I403 PolarHBondContact O-N 3.13Å; Q400-E404 HydrophobicContact CG-CG 4.32Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.42Å; Q400-E404 PolarHBondContact NE2-OE1 3.14Å; Q400-E404 WeakPolarHBondContact O-CB 3.31Å; Q400-E404 VanDerWaalsContact O-CG 3.32Å; Q400-E404 WeakPolarHBondContact O-CG 3.42Å; Q400-E404 PolarHBondContact O-N 2.63Å |
| 401 | T | 93.3 | Very high | 89.7 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 178.9 | -58 | 0 | 0 | 0 | 0 | 111.3 | L397 I403 E404 E405 | L397-T401 WeakPolarHBondContact O-CB 3.3Å; L397-T401 PolarHBondContact O-N 3.37Å; L397-T401 PolarHBondContact O-OG1 2.86Å; L397-T401 VanDerWaalsContact O-OG1 3.1Å; T401-I403 VanDerWaalsContact C-N 3.3Å; T401-I403 PolarHBondContact O-N 2.84Å; T401-E404 PolarHBondContact O-N 2.87Å; T401-E405 HydrophobicContact CG2-CG 4.25Å; T401-E405 WeakPolarHBondContact O-CB 3.19Å; T401-E405 VanDerWaalsContact O-CG 3.29Å; T401-E405 WeakPolarHBondContact O-CG 3.45Å; T401-E405 PolarHBondContact O-N 3.29Å |
| 402 | S | 92.3 | Very high | 88.8 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 177.5 | -62 | 0 | 0 | 0 | 0 | 112.5 | D398 L399 Q400 R406 | D398-S402 VanDerWaalsContact O-CB 3.29Å; D398-S402 WeakPolarHBondContact O-CB 3.31Å; D398-S402 PolarHBondContact O-N 3.21Å; D398-S402 PolarHBondContact O-OG 3.23Å; L399-S402 PolarHBondContact O-N 3.49Å; Q400-S402 VanDerWaalsContact C-N 3.35Å; Q400-S402 PolarHBondContact O-N 2.85Å; S402-R406 WeakPolarHBondContact O-CB 3.36Å; S402-R406 PolarHBondContact O-N 3.34Å; S402-R406 VanDerWaalsContact O-N 3.13Å |
| 403 | I | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.3 | -44 | 178.3 | -67.9 | 169.4 | 0 | 0 | 0 | 110.8 | I185 W186 M189 L399 Q400 T401 E405 R406 V407 | I185-I403 HydrophobicContact CG2-CG2 4.1Å; W186-I403 HydrophobicContact CD2-CD1 3.88Å; W186-I403 HydrophobicContact CD2-CG2 3.75Å; W186-I403 VanDerWaalsContact CE2-CG2 3.47Å; W186-I403 HydrophobicContact CE3-CD1 3.3Å; W186-I403 HydrophobicContact CE3-CG1 4.49Å; W186-I403 HydrophobicContact CE3-CG2 4.26Å; W186-I403 HydrophobicContact CG-CG2 4.1Å; W186-I403 HydrophobicContact CH2-CB 4.23Å; W186-I403 HydrophobicContact CH2-CD1 4.03Å; W186-I403 HydrophobicContact CH2-CG2 4.25Å; W186-I403 HydrophobicContact CZ2-CB 4.17Å; W186-I403 HydrophobicContact CZ2-CG2 3.75Å; W186-I403 HydrophobicContact CZ3-CB 4.45Å; W186-I403 HydrophobicContact CZ3-CD1 3.39Å; W186-I403 HydrophobicContact CZ3-CG1 4.49Å; W186-I403 HydrophobicContact CZ3-CG2 4.49Å; M189-I403 HydrophobicContact CB-CD1 3.91Å; M189-I403 HydrophobicContact CB-CG1 3.75Å; M189-I403 HydrophobicContact CE-CG1 3.74Å; M189-I403 HydrophobicContact CG-CG1 4.28Å; M189-I403 HydrophobicContact SD-CB 4.34Å; M189-I403 HydrophobicContact SD-CG1 3.68Å; L399-I403 HydrophobicContact CD1-CD1 3.69Å; L399-I403 HydrophobicContact CD1-CG1 4.23Å; L399-I403 HydrophobicContact CD2-CD1 4.32Å; L399-I403 HydrophobicContact CG-CD1 3.72Å; L399-I403 VanDerWaalsContact O-CG1 3.32Å; L399-I403 WeakPolarHBondContact O-CG1 3.3Å; L399-I403 PolarHBondContact O-N 3Å; Q400-I403 PolarHBondContact O-N 3.13Å; T401-I403 VanDerWaalsContact C-N 3.3Å; T401-I403 PolarHBondContact O-N 2.84Å; I403-E405 PolarHBondContact O-N 2.81Å; I403-R406 WeakPolarHBondContact O-CB 3.49Å; I403-R406 PolarHBondContact O-N 3.1Å; I403-V407 HydrophobicContact CG2-CG2 4.3Å; I403-V407 WeakPolarHBondContact O-CB 3.43Å; I403-V407 VanDerWaalsContact O-CG2 3.32Å; I403-V407 WeakPolarHBondContact O-CG2 3.49Å; I403-V407 PolarHBondContact O-N 3.21Å |
| 404 | E | 90.9 | Very high | 85.4 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 178.1 | -75 | 176.3 | 177.7 | 0 | 0 | 111.9 | Y222 Q400 T401 R406 V407 A408 | Y222-E404 WeakPolarHBondContact CE1-OE1 3.49Å; Y222-E404 WeakPolarHBondContact OH-CG 3.29Å; Y222-E404 PolarHBondContact OH-OE1 3.22Å; Q400-E404 HydrophobicContact CG-CG 4.32Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.42Å; Q400-E404 PolarHBondContact NE2-OE1 3.14Å; Q400-E404 WeakPolarHBondContact O-CB 3.31Å; Q400-E404 VanDerWaalsContact O-CG 3.32Å; Q400-E404 WeakPolarHBondContact O-CG 3.42Å; Q400-E404 PolarHBondContact O-N 2.63Å; T401-E404 PolarHBondContact O-N 2.87Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.97Å; E404-V407 PolarHBondContact O-N 3.23Å; E404-A408 WeakPolarHBondContact O-CB 3.32Å; E404-A408 PolarHBondContact O-N 3.33Å |
| 405 | E | 90.1 | Very high | 83.7 | Confident | 127 Ų | 127 | 69.1 Ų | 69.1 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 173.6 | -76.3 | -179.2 | 175.3 | 0 | 0 | 111.6 | T401 I403 A408 H409 | T401-E405 HydrophobicContact CG2-CG 4.25Å; T401-E405 WeakPolarHBondContact O-CB 3.19Å; T401-E405 VanDerWaalsContact O-CG 3.29Å; T401-E405 WeakPolarHBondContact O-CG 3.45Å; T401-E405 PolarHBondContact O-N 3.29Å; I403-E405 PolarHBondContact O-N 2.81Å; E405-A408 PolarHBondContact O-N 3.26Å; E405-H409 VanDerWaalsContact O-CB 3.26Å; E405-H409 WeakPolarHBondContact O-CB 3.35Å; E405-H409 PolarHBondContact O-N 3.45Å |
| 406 | R | 86.6 | Confident | 81.8 | Confident | 121 Ų | 121 | 71.1 Ų | 71.1 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 176.4 | 179.5 | 59.1 | 175.5 | 162.2 | -0.8 | 111.3 | I185 M189 S402 I403 E404 H409 L410 | I185-R406 HydrophobicContact CG2-CG 4.42Å; M189-R406 HydrophobicContact CE-CB 4.47Å; M189-R406 HydrophobicContact SD-CB 4.03Å; M189-R406 HydrophobicContact SD-CG 3.94Å; S402-R406 WeakPolarHBondContact O-CB 3.36Å; S402-R406 PolarHBondContact O-N 3.34Å; S402-R406 VanDerWaalsContact O-N 3.13Å; I403-R406 WeakPolarHBondContact O-CB 3.49Å; I403-R406 PolarHBondContact O-N 3.1Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.97Å; R406-H409 PolarHBondContact O-N 3.38Å; R406-L410 HydrophobicContact CG-CD1 4.43Å; R406-L410 VanDerWaalsContact O-CG 3.28Å; R406-L410 WeakPolarHBondContact O-CG 3.41Å; R406-L410 PolarHBondContact O-N 3.02Å |
| 407 | V | 87.4 | Confident | 79.7 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L177 V182 I185 I403 E404 L410 R411 | L177-V407 HydrophobicContact CD2-CG1 3.9Å; V182-V407 HydrophobicContact CG2-CG1 4.46Å; I185-V407 HydrophobicContact CD1-CG2 4.17Å; I185-V407 HydrophobicContact CG2-CG2 4.17Å; I403-V407 HydrophobicContact CG2-CG2 4.3Å; I403-V407 WeakPolarHBondContact O-CB 3.43Å; I403-V407 VanDerWaalsContact O-CG2 3.32Å; I403-V407 WeakPolarHBondContact O-CG2 3.49Å; I403-V407 PolarHBondContact O-N 3.21Å; E404-V407 PolarHBondContact O-N 3.23Å; V407-L410 PolarHBondContact O-N 3.46Å; V407-R411 VanDerWaalsContact CG1-CZ 3.41Å; V407-R411 WeakPolarHBondContact O-CG 3.32Å; V407-R411 PolarHBondContact O-N 3.47Å |
| 408 | A | 86.1 | Confident | 77.3 | Confident | 37 Ų | 37 | 75 Ų | 75 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E404 E405 L410 R411 R412 | E404-A408 WeakPolarHBondContact O-CB 3.32Å; E404-A408 PolarHBondContact O-N 3.33Å; E405-A408 PolarHBondContact O-N 3.26Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.01Å; A408-R411 PolarHBondContact O-N 2.85Å; A408-R411 VanDerWaalsContact O-N 3.15Å; A408-R412 WeakPolarHBondContact O-CG 3.5Å; A408-R412 PolarHBondContact O-N 3.02Å |
| 409 | H | 83.7 | Confident | 75.3 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 173.9 | 176.2 | -85.7 | 0 | 0 | 0 | 111.9 | E405 R406 | E405-H409 VanDerWaalsContact O-CB 3.26Å; E405-H409 WeakPolarHBondContact O-CB 3.35Å; E405-H409 PolarHBondContact O-N 3.45Å; R406-H409 PolarHBondContact O-N 3.38Å |
| 410 | L | 79.8 | Confident | 73.1 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -33.7 | 176.6 | -70.2 | 173.7 | 0 | 0 | 0 | 113 | R174 L177 I185 R406 V407 A408 | R174-L410 VanDerWaalsContact CD-O 3.25Å; R174-L410 WeakPolarHBondContact CD-O 3.34Å; R174-L410 PolarHBondContact NH1-O 3Å; L177-L410 HydrophobicContact CD1-CD1 4.48Å; I185-L410 HydrophobicContact CD1-CD1 3.55Å; R406-L410 HydrophobicContact CG-CD1 4.43Å; R406-L410 VanDerWaalsContact O-CG 3.28Å; R406-L410 WeakPolarHBondContact O-CG 3.41Å; R406-L410 PolarHBondContact O-N 3.02Å; V407-L410 PolarHBondContact O-N 3.46Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.01Å |
| 411 | R | 78.6 | Confident | 70.8 | Confident | 159 Ų | 159 | 78.4 Ų | 78.4 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -77.9 | -23.7 | 177.4 | -72.2 | 174.8 | 177.4 | 160.4 | 0.1 | 114 | L177 V407 A408 V413 | L177-R411 HydrophobicContact CB-CG 4.41Å; L177-R411 HydrophobicContact CD2-CG 4.34Å; V407-R411 VanDerWaalsContact CG1-CZ 3.41Å; V407-R411 WeakPolarHBondContact O-CG 3.32Å; V407-R411 PolarHBondContact O-N 3.47Å; A408-R411 PolarHBondContact O-N 2.85Å; A408-R411 VanDerWaalsContact O-N 3.15Å; R411-V413 PolarHBondContact O-N 3.42Å |
| 412 | R | 74.8 | Confident | 68.5 | Low | 166 Ų | 166 | 83.5 Ų | 83.5 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -63.3 | 134 | 178.3 | -77.5 | 174.1 | -168.5 | 165.2 | 5 | 110.9 | A408 Q414 | A408-R412 WeakPolarHBondContact O-CG 3.5Å; A408-R412 PolarHBondContact O-N 3.02Å; R412-Q414 PolarHBondContact O-N 3.26Å |
| 413 | V | 59.6 | Low | 66 | Low | 81 Ų | 81 | 86.5 Ų | 86.5 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | trans | -66.6 | 120.7 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | L171 R411 | L171-V413 HydrophobicContact CD2-CG1 4.22Å; R411-V413 PolarHBondContact O-N 3.42Å | ||
| 414 | Q | 57.8 | Low | 63.5 | Low | 59 Ų | 59 | 90 Ų | 90 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.7 | 171.6 | -73.8 | -175.2 | -18.1 | 0 | 0 | 108.7 | R412 K416 | R412-Q414 PolarHBondContact O-N 3.26Å; Q414-K416 PolarHBondContact O-N 3.33Å |
| 415 | I | 55.8 | Low | 61.1 | Low | 87 Ų | 87 | 92.6 Ų | 92.6 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 106 | 169.9 | -56.1 | 177 | 0 | 0 | 0 | 106.5 | L171 Y417 | L171-I415 HydrophobicContact CD2-CG1 4.11Å; I415-Y417 HydrophobicContact CG2-CE1 4.49Å; I415-Y417 HydrophobicContact CG2-CE2 4.28Å |
| 416 | K | 51.6 | Low | 58.7 | Low | 70 Ų | 70 | 94 Ų | 94 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.6 | 170.6 | -76.7 | -166.7 | 169.2 | -162 | 0 | 108.8 | V172 Q414 D421 I424 | V172-K416 HydrophobicContact CG2-CB 4.2Å; V172-K416 HydrophobicContact CG2-CD 4.31Å; V172-K416 HydrophobicContact CG2-CG 4.45Å; Q414-K416 PolarHBondContact O-N 3.33Å; K416-D421 IonicContact NZ-OD1 2.76Å; K416-D421 PolarHBondContact NZ-OD1 2.88Å; K416-I424 HydrophobicContact CG-CD1 4.38Å |
| 417 | Y | 47.7 | Very low | 56.4 | Low | 141 Ų | 141 | 93.4 Ų | 93.4 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 138.6 | 167.7 | -63 | -84.8 | 0 | 0 | 0 | 109 | C169 I415 G419 A420 | C169-Y417 VanDerWaalsContact SG-CE1 3.57Å; I415-Y417 HydrophobicContact CG2-CE1 4.49Å; I415-Y417 HydrophobicContact CG2-CE2 4.28Å; Y417-G419 PolarHBondContact O-N 3.25Å; Y417-G419 VanDerWaalsContact O-N 3.09Å; Y417-A420 VanDerWaalsContact O-CB 3.29Å; Y417-A420 WeakPolarHBondContact O-CB 3.42Å; Y417-A420 PolarHBondContact O-N 3.1Å |
| 418 | P | 40.6 | Very low | 54 | Low | 68 Ų | 68 | 96.7 Ų | 96.7 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 116.7 | 169.1 | -17.6 | 27.3 | 0 | 0 | 0 | 109.2 | P167 A168 | P167-P418 HydrophobicContact CB-CB 3.91Å; P167-P418 HydrophobicContact CB-CG 3.64Å; A168-P418 VanDerWaalsContact O-CG 3.26Å; A168-P418 WeakPolarHBondContact O-CG 3.39Å |
| 419 | G | 48.7 | Very low | 51.9 | Low | 73 Ų | 73 | 100.8 Ų | 100.8 | 75% | 0.753 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.3 | -10.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y417 D421 | Y417-G419 PolarHBondContact O-N 3.25Å; Y417-G419 VanDerWaalsContact O-N 3.09Å; G419-D421 VanDerWaalsContact C-N 3.33Å |
| 420 | A | 44.8 | Very low | 49.9 | Very low | 25 Ų | 25 | 102.3 Ų | 102.3 | 21% | 0.207 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -85.3 | 0.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y417 M422 D423 I424 | Y417-A420 VanDerWaalsContact O-CB 3.29Å; Y417-A420 WeakPolarHBondContact O-CB 3.42Å; Y417-A420 PolarHBondContact O-N 3.1Å; A420-M422 PolarHBondContact O-N 3.49Å; A420-M422 VanDerWaalsContact O-N 3.1Å; A420-D423 PolarHBondContact O-N 3.05Å; A420-D423 VanDerWaalsContact O-N 3.14Å; A420-I424 HydrophobicContact CB-CD1 4.04Å |
| 421 | D | 44.1 | Very low | 48 | Very low | 128 Ų | 128 | 109.2 Ų | 109.2 | 68% | 0.684 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -74.5 | 11.5 | 174.8 | -77.4 | -32.6 | 0 | 0 | 0 | 113.4 | K416 G419 | K416-D421 IonicContact NZ-OD1 2.76Å; K416-D421 PolarHBondContact NZ-OD1 2.88Å; G419-D421 VanDerWaalsContact C-N 3.33Å |
| 422 | M | 45.1 | Very low | 46.7 | Very low | 170 Ų | 170 | 107.3 Ų | 107.3 | 84% | 0.837 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -98.5 | -8.5 | 163.3 | -85.1 | -178.9 | 58.8 | 0 | 0 | 114.7 | A420 | A420-M422 PolarHBondContact O-N 3.49Å; A420-M422 VanDerWaalsContact O-N 3.1Å |
| 423 | D | 40.9 | Very low | 45.6 | Very low | 119 Ų | 119 | 108.3 Ų | 108.3 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -153.1 | 39.6 | -165.9 | -102 | -24.1 | 0 | 0 | 0 | 116.7 | A420 | A420-D423 PolarHBondContact O-N 3.05Å; A420-D423 VanDerWaalsContact O-N 3.14Å |
| 424 | I | 39.4 | Very low | 45.4 | Very low | 74 Ų | 74 | 113.1 Ų | 113.1 | 38% | 0.379 | 63% | 0.628 | S | S | . | * | trans | -126.7 | 20.5 | 169.2 | -44.5 | 168.2 | 0 | 0 | 0 | 113.2 | K416 A420 L426 | K416-I424 HydrophobicContact CG-CD1 4.38Å; A420-I424 HydrophobicContact CB-CD1 4.04Å; I424-L426 PolarHBondContact O-N 2.82Å | ||
| 425 | T | 40.1 | Very low | 46 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 78% | 0.779 | 63% | 0.633 | S | S | * | * | trans | -87.5 | 76.2 | 142.2 | 52.3 | 0 | 0 | 0 | 0 | 107.1 | S427 | T425-S427 PolarHBondContact O-N 3.4Š| ||
| 426 | L | 40.6 | Very low | 46.9 | Very low | 155 Ų | 155 | 111.4 Ų | 111.4 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | trans | -66.6 | 72.5 | 164.9 | -87.5 | 157.4 | 0 | 0 | 0 | 108.8 | I424 | I424-L426 PolarHBondContact O-N 2.82Š| ||
| 427 | S | 38.1 | Very low | 47.6 | Very low | 109 Ų | 109 | 112.6 Ų | 112.6 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | -91.3 | 100.8 | 148.2 | -113.2 | 0 | 0 | 0 | 0 | 105.9 | T425 | T425-S427 PolarHBondContact O-N 3.4Š| ||
| 428 | A | 35.8 | Very low | 48.5 | Very low | 78 Ų | 78 | 112.3 Ų | 112.3 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 61 | 155.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S430 | A428-S430 PolarHBondContact O-N 3.49Š|
| 429 | P | 43.2 | Very low | 49.9 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | trans | -60.2 | 135.1 | 174 | 24.3 | -31.3 | 0 | 0 | 0 | 109.4 | F431 | P429-F431 PolarHBondContact O-N 3.47Š| ||
| 430 | S | 42.2 | Very low | 50.9 | Low | 110 Ų | 110 | 113.9 Ų | 113.9 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | -64.8 | 78.7 | 175.5 | 29.3 | 0 | 0 | 0 | 0 | 110.4 | A428 C432 | A428-S430 PolarHBondContact O-N 3.49Å; S430-C432 PolarHBondContact O-N 3.29Å | ||
| 431 | F | 39.4 | Very low | 51.9 | Low | 171 Ų | 171 | 118.8 Ų | 118.8 | 75% | 0.75 | 64% | 0.642 | S | S | * | * | trans | -69.5 | 120.5 | 162.3 | -175.8 | -102.9 | 0 | 0 | 0 | 107.2 | P429 R433 | P429-F431 PolarHBondContact O-N 3.47Å; F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 2.93Å | ||
| 432 | C | 50.8 | Low | 53 | Low | 119 Ų | 119 | 120 Ų | 120 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -59.4 | 98.9 | 165.1 | -73.9 | 0 | 0 | 0 | 0 | 107.4 | S430 Q434 | S430-C432 PolarHBondContact O-N 3.29Å; C432-Q434 PolarHBondContact O-N 3.47Å | ||
| 433 | R | 51.5 | Low | 54 | Low | 187 Ų | 187 | 116.8 Ų | 116.8 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -64.9 | 112.1 | 177.5 | -177.5 | 177.6 | 169.3 | -179.4 | -7.4 | 107.4 | F431 I435 | F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 2.93Å; R433-I435 PolarHBondContact O-N 2.99Å | ||
| 434 | Q | 56.5 | Low | 55.2 | Low | 183 Ų | 183 | 119.2 Ų | 119.2 | 86% | 0.855 | 62% | 0.621 | S | S | * | * | trans | -60.1 | 110.1 | 171.3 | -134.4 | 172.8 | 11.1 | 0 | 0 | 107.5 | C432 | C432-Q434 PolarHBondContact O-N 3.47Š| ||
| 435 | I | 69.6 | Low | 56.2 | Low | 71 Ų | 71 | 118.2 Ų | 118.2 | 36% | 0.364 | 62% | 0.621 | S | S | . | * | trans | -71.3 | 144.2 | 172.4 | 55 | 175.4 | 0 | 0 | 0 | 108.5 | R433 E439 F440 | R433-I435 PolarHBondContact O-N 2.99Å; I435-E439 HydrophobicContact CB-CB 4.28Å; I435-F440 HydrophobicContact CD1-CB 3.86Å; I435-F440 HydrophobicContact CD1-CD2 4.05Å; I435-F440 HydrophobicContact CD1-CG 4.46Å; I435-F440 HydrophobicContact CG1-CB 4.41Å | ||
| 436 | S | 73.6 | Confident | 57 | Low | 39 Ų | 39 | 119.7 Ų | 119.7 | 27% | 0.273 | 61% | 0.613 | S | S | . | * | trans | -67.9 | 156.1 | 175.3 | 84 | 0 | 0 | 0 | 0 | 110 | E438 E439 F440 | S436-E438 VanDerWaalsContact CB-OE2 3.28Å; S436-E438 WeakPolarHBondContact CB-OE2 3.43Å; S436-E438 PolarHBondContact O-N 2.99Å; S436-E438 PolarHBondContact OG-N 3.43Å; S436-E438 PolarHBondContact OG-OE2 2.84Å; S436-E439 PolarHBondContact O-N 2.93Å; S436-E439 VanDerWaalsContact O-N 3.11Å; S436-E439 PolarHBondContact OG-N 3.37Å; S436-E439 VanDerWaalsContact OG-N 3.11Å; S436-F440 PolarHBondContact O-N 3.34Å | ||
| 437 | P | 66.6 | Low | 57.9 | Low | 94 Ų | 94 | 114.7 Ų | 114.7 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55.2 | -33.3 | 173.7 | -22.7 | 32.6 | 0 | 0 | 0 | 112 | F440 E441 | P437-F440 PolarHBondContact O-N 3.23Å; P437-E441 WeakPolarHBondContact O-CB 3.41Å; P437-E441 WeakPolarHBondContact O-CG 3.22Å; P437-E441 PolarHBondContact O-N 3.46Å |
| 438 | E | 67.6 | Low | 59.1 | Low | 135 Ų | 135 | 111.8 Ų | 111.8 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.8 | -37.5 | 177.5 | -48 | 101.8 | 173.5 | 0 | 0 | 112.6 | S436 F440 E441 Y442 | S436-E438 VanDerWaalsContact CB-OE2 3.28Å; S436-E438 WeakPolarHBondContact CB-OE2 3.43Å; S436-E438 PolarHBondContact O-N 2.99Å; S436-E438 PolarHBondContact OG-N 3.43Å; S436-E438 PolarHBondContact OG-OE2 2.84Å; E438-F440 VanDerWaalsContact C-N 3.31Å; E438-E441 PolarHBondContact O-N 2.95Å; E438-Y442 VanDerWaalsContact O-CB 3.3Å; E438-Y442 WeakPolarHBondContact O-CB 3.45Å; E438-Y442 PolarHBondContact O-N 2.94Å |
| 439 | E | 69.3 | Low | 60.6 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 34% | 0.341 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.3 | -36.7 | 171.9 | -86.5 | -178.4 | 158.1 | 0 | 0 | 111.3 | I435 S436 Q443 | I435-E439 HydrophobicContact CB-CB 4.28Å; S436-E439 PolarHBondContact O-N 2.93Å; S436-E439 VanDerWaalsContact O-N 3.11Å; S436-E439 PolarHBondContact OG-N 3.37Å; S436-E439 VanDerWaalsContact OG-N 3.11Å; E439-Q443 VanDerWaalsContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CG 3.47Å; E439-Q443 PolarHBondContact O-N 3.48Å |
| 440 | F | 69.4 | Low | 61.8 | Low | 102 Ų | 102 | 112.5 Ų | 112.5 | 45% | 0.447 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.6 | -46.7 | 172.8 | 174.1 | -99.8 | 0 | 0 | 0 | 111.6 | I435 S436 P437 E438 Q443 R444 | I435-F440 HydrophobicContact CD1-CB 3.86Å; I435-F440 HydrophobicContact CD1-CD2 4.05Å; I435-F440 HydrophobicContact CD1-CG 4.46Å; I435-F440 HydrophobicContact CG1-CB 4.41Å; S436-F440 PolarHBondContact O-N 3.34Å; P437-F440 PolarHBondContact O-N 3.23Å; E438-F440 VanDerWaalsContact C-N 3.31Å; F440-Q443 PolarHBondContact O-N 3.27Å; F440-R444 WeakPolarHBondContact O-CB 3.47Å; F440-R444 PolarHBondContact O-N 2.74Å |
| 441 | E | 67.1 | Low | 63.3 | Low | 127 Ų | 127 | 111.1 Ų | 111.1 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 177.4 | -77.3 | -176.1 | 177.6 | 0 | 0 | 112.1 | P437 E438 R444 S445 | P437-E441 WeakPolarHBondContact O-CB 3.41Å; P437-E441 WeakPolarHBondContact O-CG 3.22Å; P437-E441 PolarHBondContact O-N 3.46Å; E438-E441 PolarHBondContact O-N 2.95Å; E441-R444 WeakPolarHBondContact O-CB 3.18Å; E441-R444 PolarHBondContact O-N 3.31Å; E441-S445 WeakPolarHBondContact O-CB 3.5Å; E441-S445 PolarHBondContact O-N 3.37Å; E441-S445 PolarHBondContact O-OG 3.41Å; E441-S445 VanDerWaalsContact O-OG 3.06Å |
| 442 | Y | 67.4 | Low | 65.1 | Low | 153 Ų | 153 | 104.4 Ų | 104.4 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.8 | -44.4 | 175.4 | -177.7 | -90.7 | 0 | 0 | 0 | 112.5 | E438 R444 S445 Y446 | E438-Y442 VanDerWaalsContact O-CB 3.3Å; E438-Y442 WeakPolarHBondContact O-CB 3.45Å; E438-Y442 PolarHBondContact O-N 2.94Å; Y442-R444 VanDerWaalsContact C-N 3.28Å; Y442-R444 PolarHBondContact O-N 3.45Å; Y442-S445 PolarHBondContact O-N 3.19Å; Y442-S445 PolarHBondContact O-OG 2.81Å; Y442-Y446 AromaticContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CE2 4.18Å; Y442-Y446 AromaticContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CE2 4.13Å; Y442-Y446 HydrophobicContact CE2-CG 4.34Å; Y442-Y446 HydrophobicContact CG-CD2 4.33Å; Y442-Y446 PolarHBondContact O-N 3.33Å |
| 443 | Q | 66.3 | Low | 66.3 | Low | 104 Ų | 104 | 100.5 Ų | 100.5 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -64.9 | -35.9 | 175.3 | -74.1 | 175.7 | 19 | 0 | 0 | 111.4 | E439 F440 G447 S448 | E439-Q443 VanDerWaalsContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CG 3.47Å; E439-Q443 PolarHBondContact O-N 3.48Å; F440-Q443 PolarHBondContact O-N 3.27Å; Q443-G447 VanDerWaalsContact O-CA 3.3Å; Q443-G447 WeakPolarHBondContact O-CA 3.31Å; Q443-G447 PolarHBondContact O-N 3.41Å; Q443-S448 PolarHBondContact O-N 2.78Å |
| 444 | R | 64.5 | Low | 67.6 | Low | 170 Ų | 170 | 94.5 Ų | 94.5 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | I | π-helix | trans | -64.2 | -46.5 | 174.1 | -175.4 | -177.9 | -165.9 | 158.1 | 5.2 | 111.7 | F440 E441 Y442 S448 | F440-R444 WeakPolarHBondContact O-CB 3.47Å; F440-R444 PolarHBondContact O-N 2.74Å; E441-R444 WeakPolarHBondContact O-CB 3.18Å; E441-R444 PolarHBondContact O-N 3.31Å; Y442-R444 VanDerWaalsContact C-N 3.28Å; Y442-R444 PolarHBondContact O-N 3.45Å; R444-S448 PolarHBondContact O-OG 2.97Å |
| 445 | S | 60.5 | Low | 68.8 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 37% | 0.371 | 47% | 0.465 | S | S | . | . | I | π-helix | trans | -78.8 | -34 | -174.8 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | E441 Y442 | E441-S445 WeakPolarHBondContact O-CB 3.5Å; E441-S445 PolarHBondContact O-N 3.37Å; E441-S445 PolarHBondContact O-OG 3.41Å; E441-S445 VanDerWaalsContact O-OG 3.06Å; Y442-S445 PolarHBondContact O-N 3.19Å; Y442-S445 PolarHBondContact O-OG 2.81Å |
| 446 | Y | 58 | Low | 69.3 | Low | 157 Ų | 157 | 86.4 Ų | 86.4 | 62% | 0.616 | 45% | 0.448 | S | S | * | . | I | π-helix | trans | -117.7 | -32.5 | -173.8 | -66.4 | -76.5 | 0 | 0 | 0 | 114.5 | Y442 S448 | Y442-Y446 AromaticContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CE2 4.18Å; Y442-Y446 AromaticContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CE2 4.13Å; Y442-Y446 HydrophobicContact CE2-CG 4.34Å; Y442-Y446 HydrophobicContact CG-CD2 4.33Å; Y442-Y446 PolarHBondContact O-N 3.33Å; Y446-S448 PolarHBondContact O-N 3.47Å |
| 447 | G | 58.5 | Low | 69.6 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | I | π-helix | trans | -76.7 | -20.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q443 | Q443-G447 VanDerWaalsContact O-CA 3.3Å; Q443-G447 WeakPolarHBondContact O-CA 3.31Å; Q443-G447 PolarHBondContact O-N 3.41Å |
| 448 | S | 64 | Low | 70.4 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -18.6 | -176.2 | 69.7 | 0 | 0 | 0 | 0 | 114.4 | Q443 R444 Y446 L452 | Q443-S448 PolarHBondContact O-N 2.78Å; R444-S448 PolarHBondContact O-OG 2.97Å; Y446-S448 PolarHBondContact O-N 3.47Å; S448-L452 VanDerWaalsContact O-CB 3.23Å; S448-L452 WeakPolarHBondContact O-CB 3.47Å; S448-L452 VanDerWaalsContact O-CD1 3.22Å; S448-L452 WeakPolarHBondContact O-CD1 3.28Å; S448-L452 WeakPolarHBondContact O-CG 3.29Å; S448-L452 PolarHBondContact O-N 3.15Å |
| 449 | Q | 66.5 | Low | 71 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -75 | -43.7 | -171.6 | -67 | -144.2 | -14.4 | 0 | 0 | 113.5 | L452 A453 V484 | Q449-L452 PolarHBondContact O-N 3.24Å; Q449-A453 VanDerWaalsContact O-CB 3.31Å; Q449-A453 WeakPolarHBondContact O-CB 3.26Å; Q449-A453 PolarHBondContact O-N 2.79Å; Q449-V484 HydrophobicContact CB-CG2 4.44Å; Q449-V484 HydrophobicContact CG-CG2 4.08Å |
| 450 | E | 68.2 | Low | 71.5 | Confident | 163 Ų | 163 | 81.2 Ų | 81.2 | 76% | 0.762 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 179.2 | -73.4 | 176.1 | 168.6 | 0 | 0 | 113.3 | L452 A453 A454 | E450-L452 PolarHBondContact O-N 3.32Å; E450-A453 PolarHBondContact O-N 3.26Å; E450-A454 WeakPolarHBondContact O-CB 3.23Å; E450-A454 PolarHBondContact O-N 3.37Å |
| 451 | P | 75.3 | Confident | 71.9 | Confident | 80 Ų | 80 | 81 Ų | 81 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 176.5 | -19.8 | 32.8 | 0 | 0 | 0 | 113 | A454 L455 | P451-A454 PolarHBondContact O-N 3.11Å; P451-L455 WeakPolarHBondContact O-CB 3.4Å; P451-L455 PolarHBondContact O-N 2.95Å |
| 452 | L | 75.7 | Confident | 72.5 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.6 | -38.1 | 177.5 | -73 | 173.6 | 0 | 0 | 0 | 111.6 | S448 Q449 E450 L455 L456 F477 Y481 V484 | S448-L452 VanDerWaalsContact O-CB 3.23Å; S448-L452 WeakPolarHBondContact O-CB 3.47Å; S448-L452 VanDerWaalsContact O-CD1 3.22Å; S448-L452 WeakPolarHBondContact O-CD1 3.28Å; S448-L452 WeakPolarHBondContact O-CG 3.29Å; S448-L452 PolarHBondContact O-N 3.15Å; Q449-L452 PolarHBondContact O-N 3.24Å; E450-L452 PolarHBondContact O-N 3.32Å; L452-L455 PolarHBondContact O-N 3.33Å; L452-L456 WeakPolarHBondContact O-CB 3.25Å; L452-L456 PolarHBondContact O-N 3.32Å; L452-F477 HydrophobicContact CB-CZ 4.17Å; L452-F477 HydrophobicContact CD2-CE2 4.42Å; L452-F477 VanDerWaalsContact O-CZ 3.3Å; L452-F477 WeakPolarHBondContact O-CZ 3.36Å; L452-Y481 HydrophobicContact CD1-CD1 3.8Å; L452-Y481 HydrophobicContact CD1-CE1 3.93Å; L452-Y481 HydrophobicContact CD1-CG 4.15Å; L452-Y481 HydrophobicContact CD2-CD2 4.21Å; L452-Y481 HydrophobicContact CD2-CE2 3.99Å; L452-V484 HydrophobicContact CB-CG1 4.36Å |
| 453 | A | 75.6 | Confident | 72.6 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q449 E450 L455 L456 E457 V484 | Q449-A453 VanDerWaalsContact O-CB 3.31Å; Q449-A453 WeakPolarHBondContact O-CB 3.26Å; Q449-A453 PolarHBondContact O-N 2.79Å; E450-A453 PolarHBondContact O-N 3.26Å; A453-L455 VanDerWaalsContact C-N 3.34Å; A453-L455 PolarHBondContact O-N 3.34Å; A453-L456 WeakPolarHBondContact O-CB 3.36Å; A453-L456 PolarHBondContact O-N 2.81Å; A453-E457 PolarHBondContact O-N 3.46Å; A453-V484 HydrophobicContact CB-CG1 4.14Å |
| 454 | A | 79.1 | Confident | 73.1 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E450 P451 E457 E458 | E450-A454 WeakPolarHBondContact O-CB 3.23Å; E450-A454 PolarHBondContact O-N 3.37Å; P451-A454 PolarHBondContact O-N 3.11Å; A454-E457 PolarHBondContact O-N 3.38Å; A454-E458 PolarHBondContact O-N 3.34Å |
| 455 | L | 82.1 | Confident | 73.6 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 175.9 | -172.2 | 136.1 | 0 | 0 | 0 | 112.3 | P451 L452 A453 E458 V459 F477 | P451-L455 WeakPolarHBondContact O-CB 3.4Å; P451-L455 PolarHBondContact O-N 2.95Å; L452-L455 PolarHBondContact O-N 3.33Å; A453-L455 VanDerWaalsContact C-N 3.34Å; A453-L455 PolarHBondContact O-N 3.34Å; L455-E458 PolarHBondContact O-N 3.36Å; L455-V459 HydrophobicContact CD2-CG2 4.5Å; L455-V459 VanDerWaalsContact O-CG2 3.31Å; L455-V459 WeakPolarHBondContact O-CG2 3.22Å; L455-V459 PolarHBondContact O-N 3.07Å; L455-F477 HydrophobicContact CD2-CD2 4Å; L455-F477 HydrophobicContact CD2-CE2 3.67Å |
| 456 | L | 80.5 | Confident | 74.4 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 173.4 | -177.5 | 61.3 | 0 | 0 | 0 | 111.2 | L452 A453 V459 I460 L474 F477 Y485 R488 F489 | L452-L456 WeakPolarHBondContact O-CB 3.25Å; L452-L456 PolarHBondContact O-N 3.32Å; A453-L456 WeakPolarHBondContact O-CB 3.36Å; A453-L456 PolarHBondContact O-N 2.81Å; L456-V459 PolarHBondContact O-N 2.73Å; L456-I460 HydrophobicContact CD1-CD1 4.39Å; L456-I460 HydrophobicContact CG-CD1 4.1Å; L456-I460 WeakPolarHBondContact O-CD1 3.12Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.05Å; L456-I460 PolarHBondContact O-N 3.37Å; L456-I460 VanDerWaalsContact O-N 3.11Å; L456-L474 HydrophobicContact CD1-CG 4.38Å; L456-F477 HydrophobicContact CB-CE1 4.07Å; L456-F477 HydrophobicContact CB-CE2 4.34Å; L456-F477 HydrophobicContact CB-CZ 3.91Å; L456-F477 HydrophobicContact CD1-CD1 3.78Å; L456-F477 HydrophobicContact CD1-CE1 4.04Å; L456-F477 HydrophobicContact CD1-CG 4.06Å; L456-F477 HydrophobicContact CD2-CD1 4.42Å; L456-F477 HydrophobicContact CD2-CE1 4.03Å; L456-F477 HydrophobicContact CG-CE1 4.27Å; L456-Y485 HydrophobicContact CD1-CD2 4.42Å; L456-Y485 HydrophobicContact CD2-CD2 4.48Å; L456-R488 HydrophobicContact CD2-CB 3.84Å; L456-R488 HydrophobicContact CD2-CG 4.04Å; L456-F489 HydrophobicContact CD2-CE2 4.39Å |
| 457 | E | 80.7 | Confident | 75 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.8 | -74 | -54.8 | 115.6 | 0 | 0 | 112.9 | A453 A454 V459 I460 T461 R488 | A453-E457 PolarHBondContact O-N 3.46Å; A454-E457 PolarHBondContact O-N 3.38Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V459 PolarHBondContact O-N 2.89Å; E457-I460 PolarHBondContact O-N 3.39Å; E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.34Å; E457-T461 PolarHBondContact O-N 3.08Å; E457-T461 PolarHBondContact O-OG1 2.86Å; E457-R488 VanDerWaalsContact CD-CZ 3.49Å; E457-R488 IonicContact OE1-CZ 2.89Å; E457-R488 IonicContact OE1-NE 3.3Å; E457-R488 PolarHBondContact OE1-NE 3.27Å; E457-R488 IonicContact OE1-NH2 2.93Å; E457-R488 PolarHBondContact OE1-NH2 2.81Å; E457-R488 IonicContact OE2-CZ 3.63Å; E457-R488 IonicContact OE2-NE 3.36Å; E457-R488 IonicContact OE2-NH2 3.11Å; E457-R488 PolarHBondContact OE2-NH2 3.08Å |
| 458 | E | 82.1 | Confident | 75.7 | Confident | 128 Ų | 128 | 75.3 Ų | 75.3 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 175.9 | -168.4 | -179.6 | 179 | 0 | 0 | 111 | A454 L455 I460 T461 D462 | A454-E458 PolarHBondContact O-N 3.34Å; L455-E458 PolarHBondContact O-N 3.36Å; E458-I460 VanDerWaalsContact C-N 3.3Å; E458-I460 PolarHBondContact O-N 3.43Å; E458-T461 PolarHBondContact O-N 3.42Å; E458-T461 PolarHBondContact O-OG1 3.23Å; E458-D462 VanDerWaalsContact O-CB 3.22Å; E458-D462 WeakPolarHBondContact O-CB 3.3Å; E458-D462 PolarHBondContact O-N 3.48Å |
| 459 | V | 81.1 | Confident | 76.3 | Confident | 25 Ų | 25 | 77.7 Ų | 77.7 | 15% | 0.152 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 112.3 | L455 L456 E457 K473 L474 | L455-V459 HydrophobicContact CD2-CG2 4.5Å; L455-V459 VanDerWaalsContact O-CG2 3.31Å; L455-V459 WeakPolarHBondContact O-CG2 3.22Å; L455-V459 PolarHBondContact O-N 3.07Å; L456-V459 PolarHBondContact O-N 2.73Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V459 PolarHBondContact O-N 2.89Å; V459-K473 HydrophobicContact CG1-CB 3.89Å; V459-K473 HydrophobicContact CG1-CD 4.31Å; V459-L474 HydrophobicContact CG1-CD1 3.82Å |
| 460 | I | 78.3 | Confident | 77 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -72.4 | -46.2 | 177.4 | -67.8 | 162.4 | 0 | 0 | 0 | 110.7 | L456 E457 E458 K470 L474 F489 L498 | L456-I460 HydrophobicContact CD1-CD1 4.39Å; L456-I460 HydrophobicContact CG-CD1 4.1Å; L456-I460 WeakPolarHBondContact O-CD1 3.12Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.05Å; L456-I460 PolarHBondContact O-N 3.37Å; L456-I460 VanDerWaalsContact O-N 3.11Å; E457-I460 PolarHBondContact O-N 3.39Å; E458-I460 VanDerWaalsContact C-N 3.3Å; E458-I460 PolarHBondContact O-N 3.43Å; I460-K470 PolarHBondContact O-NZ 2.73Å; I460-L474 HydrophobicContact CG1-CD1 4.23Å; I460-L474 HydrophobicContact CG1-CD2 4.4Å; I460-F489 HydrophobicContact CD1-CE2 4.13Å; I460-F489 HydrophobicContact CD1-CZ 3.7Å; I460-L498 HydrophobicContact CD1-CD1 4.23Å; I460-L498 HydrophobicContact CG1-CD1 4.39Å; I460-L498 HydrophobicContact CG2-CD1 3.76Å; I460-L498 HydrophobicContact CG2-CD2 3.85Å; I460-L498 HydrophobicContact CG2-CG 4.46Å |
| 461 | T | 78.7 | Confident | 77.5 | Confident | 97 Ų | 97 | 73.5 Ų | 73.5 | 60% | 0.595 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -81.2 | -19 | -173.7 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | E457 E458 A463 | E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.34Å; E457-T461 PolarHBondContact O-N 3.08Å; E457-T461 PolarHBondContact O-OG1 2.86Å; E458-T461 PolarHBondContact O-N 3.42Å; E458-T461 PolarHBondContact O-OG1 3.23Å; T461-A463 PolarHBondContact O-N 3.09Å; T461-A463 VanDerWaalsContact O-N 3.08Å |
| 462 | D | 79.1 | Confident | 77.8 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | trans | -61.5 | 111.4 | -178.2 | -175.3 | -1.6 | 0 | 0 | 0 | 112.4 | E458 K464 L465 K470 | E458-D462 VanDerWaalsContact O-CB 3.22Å; E458-D462 WeakPolarHBondContact O-CB 3.3Å; E458-D462 PolarHBondContact O-N 3.48Å; D462-K464 PolarHBondContact O-N 2.95Å; D462-K464 VanDerWaalsContact OD1-CB 3.29Å; D462-K464 WeakPolarHBondContact OD1-CB 3.3Å; D462-K464 PolarHBondContact OD1-N 3.49Å; D462-L465 HydrophobicContact CB-CD1 4.13Å; D462-L465 HydrophobicContact CB-CG 4.43Å; D462-K470 WeakPolarHBondContact O-CE 3.33Å; D462-K470 PolarHBondContact O-NZ 3.23Å | ||
| 463 | A | 70.4 | Confident | 78 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 82% | 0.818 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | T461 | T461-A463 PolarHBondContact O-N 3.09Å; T461-A463 VanDerWaalsContact O-N 3.08Å |
| 464 | K | 76.4 | Confident | 78.4 | Confident | 195 Ų | 195 | 78.7 Ų | 78.7 | 85% | 0.848 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.9 | -179.4 | -61 | 177.1 | -179.6 | 173.9 | 0 | 113.2 | D462 | D462-K464 PolarHBondContact O-N 2.95Å; D462-K464 VanDerWaalsContact OD1-CB 3.29Å; D462-K464 WeakPolarHBondContact OD1-CB 3.3Å; D462-K464 PolarHBondContact OD1-N 3.49Å |
| 465 | L | 74.4 | Confident | 78.5 | Confident | 33 Ų | 33 | 81.9 Ų | 81.9 | 17% | 0.173 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -93 | 132.2 | -178.5 | -65.2 | 172 | 0 | 0 | 0 | 111.7 | D462 K470 K473 | D462-L465 HydrophobicContact CB-CD1 4.13Å; D462-L465 HydrophobicContact CB-CG 4.43Å; L465-K470 HydrophobicContact CB-CD 4.41Å; L465-K470 HydrophobicContact CB-CG 3.67Å; L465-K470 HydrophobicContact CD1-CG 4.43Å; L465-K470 WeakPolarHBondContact O-CE 3.31Å; L465-K473 HydrophobicContact CD1-CD 4.11Å |
| 466 | S | 77.4 | Confident | 78.4 | Confident | 54 Ų | 54 | 84 Ų | 84 | 38% | 0.378 | 42% | 0.423 | S | S | . | . | trans | -66.4 | 153.7 | 173.4 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | K468 E469 K470 | S466-K468 PolarHBondContact O-N 3.33Å; S466-K468 VanDerWaalsContact O-N 3.08Å; S466-E469 WeakPolarHBondContact CB-OE2 3.22Å; S466-E469 PolarHBondContact N-OE2 3.28Å; S466-E469 PolarHBondContact O-N 3.11Å; S466-E469 VanDerWaalsContact OG-CG 3.28Å; S466-E469 WeakPolarHBondContact OG-CG 3.38Å; S466-E469 PolarHBondContact OG-N 3.39Å; S466-E469 PolarHBondContact OG-OE2 3.07Å; S466-K470 PolarHBondContact O-N 3.12Å | ||
| 467 | S | 72.1 | Confident | 78.6 | Confident | 87 Ų | 87 | 84.8 Ų | 84.8 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.6 | -29.4 | 179.1 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | K471 | S467-K471 WeakPolarHBondContact O-CB 3.36Å; S467-K471 PolarHBondContact O-N 3.49Å |
| 468 | K | 71.9 | Confident | 78.7 | Confident | 177 Ų | 177 | 86 Ų | 86 | 77% | 0.77 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73.4 | -37.9 | 176.1 | -167.6 | 176.4 | -179.7 | -176.6 | 0 | 112.4 | S466 K472 | S466-K468 PolarHBondContact O-N 3.33Å; S466-K468 VanDerWaalsContact O-N 3.08Å; K468-K472 PolarHBondContact O-N 3.25Å; K468-K472 VanDerWaalsContact O-N 3.17Å |
| 469 | E | 78 | Confident | 78.7 | Confident | 98 Ų | 98 | 88.9 Ų | 88.9 | 46% | 0.458 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -75 | -39.4 | 177.6 | -72 | 162.1 | 152.3 | 0 | 0 | 111.9 | S466 K471 K472 K473 | S466-E469 WeakPolarHBondContact CB-OE2 3.22Å; S466-E469 PolarHBondContact N-OE2 3.28Å; S466-E469 PolarHBondContact O-N 3.11Å; S466-E469 VanDerWaalsContact OG-CG 3.28Å; S466-E469 WeakPolarHBondContact OG-CG 3.38Å; S466-E469 PolarHBondContact OG-N 3.39Å; S466-E469 PolarHBondContact OG-OE2 3.07Å; E469-K471 VanDerWaalsContact C-N 3.34Å; E469-K471 PolarHBondContact O-N 3.34Å; E469-K472 PolarHBondContact O-N 2.8Å; E469-K472 VanDerWaalsContact O-N 3.15Å; E469-K473 PolarHBondContact O-N 3.23Å |
| 470 | K | 80.4 | Confident | 78.5 | Confident | 32 Ų | 32 | 91 Ų | 91 | 14% | 0.139 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 171.5 | -67.3 | -171.5 | 177.2 | -169.8 | 0 | 110.6 | I460 D462 L465 S466 K472 K473 L474 F499 | I460-K470 PolarHBondContact O-NZ 2.73Å; D462-K470 WeakPolarHBondContact O-CE 3.33Å; D462-K470 PolarHBondContact O-NZ 3.23Å; L465-K470 HydrophobicContact CB-CD 4.41Å; L465-K470 HydrophobicContact CB-CG 3.67Å; L465-K470 HydrophobicContact CD1-CG 4.43Å; L465-K470 WeakPolarHBondContact O-CE 3.31Å; S466-K470 PolarHBondContact O-N 3.12Å; K470-K472 VanDerWaalsContact C-N 3.27Å; K470-K472 PolarHBondContact O-N 3.45Å; K470-K473 PolarHBondContact O-N 3.1Å; K470-L474 HydrophobicContact CB-CD1 4.44Å; K470-L474 WeakPolarHBondContact O-CB 3.45Å; K470-L474 WeakPolarHBondContact O-CD1 3.47Å; K470-L474 PolarHBondContact O-N 2.99Å; K470-F499 HydrophobicContact CB-CE1 4.14Å; K470-F499 HydrophobicContact CB-CZ 3.77Å |
| 471 | K | 78.6 | Confident | 78.5 | Confident | 95 Ų | 95 | 95.3 Ų | 95.3 | 41% | 0.413 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -33.7 | 177.1 | -164.5 | 166.2 | -170.6 | 162.4 | 0 | 113 | S467 E469 K475 | S467-K471 WeakPolarHBondContact O-CB 3.36Å; S467-K471 PolarHBondContact O-N 3.49Å; E469-K471 VanDerWaalsContact C-N 3.34Å; E469-K471 PolarHBondContact O-N 3.34Å; K471-K475 WeakPolarHBondContact O-CB 3.33Å; K471-K475 WeakPolarHBondContact O-CG 3.44Å; K471-K475 PolarHBondContact O-N 3.11Å; K471-K475 VanDerWaalsContact O-N 3.11Å |
| 472 | K | 81.1 | Confident | 78.5 | Confident | 157 Ų | 157 | 93.7 Ų | 93.7 | 68% | 0.683 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.3 | -44.4 | 176 | -168.5 | -178.7 | 178.6 | -174 | 0 | 111.7 | K468 E469 K470 K475 Q476 | K468-K472 PolarHBondContact O-N 3.25Å; K468-K472 VanDerWaalsContact O-N 3.17Å; E469-K472 PolarHBondContact O-N 2.8Å; E469-K472 VanDerWaalsContact O-N 3.15Å; K470-K472 VanDerWaalsContact C-N 3.27Å; K470-K472 PolarHBondContact O-N 3.45Å; K472-K475 PolarHBondContact O-N 3.43Å; K472-Q476 WeakPolarHBondContact O-CB 3.45Å; K472-Q476 PolarHBondContact O-N 2.8Å |
| 473 | K | 81.1 | Confident | 78.3 | Confident | 95 Ų | 95 | 98 Ų | 98 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.9 | -73.3 | -172.5 | 176.4 | -177.7 | 0 | 111.8 | V459 L465 E469 K470 Q476 F477 | V459-K473 HydrophobicContact CG1-CB 3.89Å; V459-K473 HydrophobicContact CG1-CD 4.31Å; L465-K473 HydrophobicContact CD1-CD 4.11Å; E469-K473 PolarHBondContact O-N 3.23Å; K470-K473 PolarHBondContact O-N 3.1Å; K473-Q476 PolarHBondContact O-N 3.19Å; K473-F477 WeakPolarHBondContact O-CB 3.48Å; K473-F477 PolarHBondContact O-N 3.21Å |
| 474 | L | 82.6 | Confident | 78.7 | Confident | 5 Ų | 5 | 93.7 Ų | 93.7 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.8 | -92.6 | 83.7 | 0 | 0 | 0 | 111.7 | L456 V459 I460 K470 Q476 F477 Q478 Y485 F489 F499 | L456-L474 HydrophobicContact CD1-CG 4.38Å; V459-L474 HydrophobicContact CG1-CD1 3.82Å; I460-L474 HydrophobicContact CG1-CD1 4.23Å; I460-L474 HydrophobicContact CG1-CD2 4.4Å; K470-L474 HydrophobicContact CB-CD1 4.44Å; K470-L474 WeakPolarHBondContact O-CB 3.45Å; K470-L474 WeakPolarHBondContact O-CD1 3.47Å; K470-L474 PolarHBondContact O-N 2.99Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.47Å; L474-F477 PolarHBondContact O-N 2.94Å; L474-Q478 WeakPolarHBondContact O-CB 2.85Å; L474-Q478 PolarHBondContact O-N 2.87Å; L474-Y485 HydrophobicContact CB-CE2 4.36Å; L474-Y485 HydrophobicContact CD2-CE2 4.12Å; L474-Y485 HydrophobicContact CG-CE2 4.39Å; L474-F489 HydrophobicContact CD2-CE2 4.19Å; L474-F489 HydrophobicContact CD2-CZ 4.31Å; L474-F499 HydrophobicContact CD2-CE2 4.18Å |
| 475 | K | 81.2 | Confident | 78.9 | Confident | 128 Ų | 128 | 84.7 Ų | 84.7 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | 174.3 | -79 | -173.9 | 175.2 | -164.9 | 0 | 113 | K471 K472 K479 | K471-K475 WeakPolarHBondContact O-CB 3.33Å; K471-K475 WeakPolarHBondContact O-CG 3.44Å; K471-K475 PolarHBondContact O-N 3.11Å; K471-K475 VanDerWaalsContact O-N 3.11Å; K472-K475 PolarHBondContact O-N 3.43Å; K475-K479 WeakPolarHBondContact O-CB 3.29Å; K475-K479 PolarHBondContact O-N 2.73Å; K475-K479 VanDerWaalsContact O-N 3.11Å |
| 476 | Q | 81.3 | Confident | 79 | Confident | 127 Ų | 127 | 89.3 Ų | 89.3 | 59% | 0.593 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.1 | -39.4 | 175.3 | -174.3 | 173.8 | -2.7 | 0 | 0 | 111.2 | K472 K473 L474 K479 S480 | K472-Q476 WeakPolarHBondContact O-CB 3.45Å; K472-Q476 PolarHBondContact O-N 2.8Å; K473-Q476 PolarHBondContact O-N 3.19Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.47Å; Q476-K479 PolarHBondContact O-N 3.34Å; Q476-S480 PolarHBondContact O-N 3.14Å; Q476-S480 VanDerWaalsContact O-N 3.12Å; Q476-S480 PolarHBondContact O-OG 2.76Å; Q476-S480 VanDerWaalsContact O-OG 3.07Å |
| 477 | F | 83.1 | Confident | 78.9 | Confident | 18 Ų | 18 | 93.2 Ų | 93.2 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 175.9 | -166.9 | -81.1 | 0 | 0 | 0 | 111.5 | L452 L455 L456 K473 L474 K479 S480 Y481 V484 Y485 | L452-F477 HydrophobicContact CB-CZ 4.17Å; L452-F477 HydrophobicContact CD2-CE2 4.42Å; L452-F477 VanDerWaalsContact O-CZ 3.3Å; L452-F477 WeakPolarHBondContact O-CZ 3.36Å; L455-F477 HydrophobicContact CD2-CD2 4Å; L455-F477 HydrophobicContact CD2-CE2 3.67Å; L456-F477 HydrophobicContact CB-CE1 4.07Å; L456-F477 HydrophobicContact CB-CE2 4.34Å; L456-F477 HydrophobicContact CB-CZ 3.91Å; L456-F477 HydrophobicContact CD1-CD1 3.78Å; L456-F477 HydrophobicContact CD1-CE1 4.04Å; L456-F477 HydrophobicContact CD1-CG 4.06Å; L456-F477 HydrophobicContact CD2-CD1 4.42Å; L456-F477 HydrophobicContact CD2-CE1 4.03Å; L456-F477 HydrophobicContact CG-CE1 4.27Å; K473-F477 WeakPolarHBondContact O-CB 3.48Å; K473-F477 PolarHBondContact O-N 3.21Å; L474-F477 PolarHBondContact O-N 2.94Å; F477-K479 PolarHBondContact O-N 2.87Å; F477-S480 PolarHBondContact O-N 3.1Å; F477-S480 VanDerWaalsContact O-N 3.1Å; F477-Y481 HydrophobicContact CD2-CD2 4.38Å; F477-Y481 HydrophobicContact CE2-CD2 4.19Å; F477-Y481 HydrophobicContact CZ-CD2 4.31Å; F477-Y481 PolarHBondContact O-N 3.23Å; F477-V484 HydrophobicContact CE1-CB 4.43Å; F477-V484 HydrophobicContact CE1-CG1 4.32Å; F477-V484 HydrophobicContact CZ-CG1 4.45Å; F477-Y485 HydrophobicContact CD1-CD2 4.45Å |
| 478 | Q | 82.8 | Confident | 79.1 | Confident | 81 Ų | 81 | 95.5 Ų | 95.5 | 38% | 0.379 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.5 | -38.2 | 174.6 | -177 | -177.1 | 29.1 | 0 | 0 | 112.2 | L474 P482 Y485 | L474-Q478 WeakPolarHBondContact O-CB 2.85Å; L474-Q478 PolarHBondContact O-N 2.87Å; Q478-P482 WeakPolarHBondContact O-CA 3.29Å; Q478-Y485 HydrophobicContact CB-CD1 4.03Å; Q478-Y485 HydrophobicContact CB-CD2 3.92Å; Q478-Y485 HydrophobicContact CB-CE1 4.24Å; Q478-Y485 HydrophobicContact CB-CE2 4.15Å; Q478-Y485 HydrophobicContact CB-CG 3.85Å; Q478-Y485 HydrophobicContact CG-CD1 3.62Å; Q478-Y485 HydrophobicContact CG-CD2 4.44Å; Q478-Y485 HydrophobicContact CG-CE1 3.86Å; Q478-Y485 HydrophobicContact CG-CG 3.93Å |
| 479 | K | 82 | Confident | 79.3 | Confident | 188 Ų | 188 | 88 Ų | 88 | 82% | 0.817 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70.3 | -36.4 | 177.6 | -173.4 | 176.3 | 179.6 | -178 | 0 | 112.6 | K475 Q476 F477 | K475-K479 WeakPolarHBondContact O-CB 3.29Å; K475-K479 PolarHBondContact O-N 2.73Å; K475-K479 VanDerWaalsContact O-N 3.11Å; Q476-K479 PolarHBondContact O-N 3.34Å; F477-K479 PolarHBondContact O-N 2.87Å |
| 480 | S | 77.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 88.1 Ų | 88.1 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -85.3 | -33.8 | -177.2 | -58.2 | 0 | 0 | 0 | 0 | 113 | Q476 F477 | Q476-S480 PolarHBondContact O-N 3.14Å; Q476-S480 VanDerWaalsContact O-N 3.12Å; Q476-S480 PolarHBondContact O-OG 2.76Å; Q476-S480 VanDerWaalsContact O-OG 3.07Å; F477-S480 PolarHBondContact O-N 3.1Å; F477-S480 VanDerWaalsContact O-N 3.1Å |
| 481 | Y | 78.9 | Confident | 78.5 | Confident | 113 Ų | 113 | 90 Ų | 90 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | trans | -140.1 | 71.9 | -173 | -54.4 | -69.8 | 0 | 0 | 0 | 110.7 | L452 F477 E483 Y485 | L452-Y481 HydrophobicContact CD1-CD1 3.8Å; L452-Y481 HydrophobicContact CD1-CE1 3.93Å; L452-Y481 HydrophobicContact CD1-CG 4.15Å; L452-Y481 HydrophobicContact CD2-CD2 4.21Å; L452-Y481 HydrophobicContact CD2-CE2 3.99Å; F477-Y481 HydrophobicContact CD2-CD2 4.38Å; F477-Y481 HydrophobicContact CE2-CD2 4.19Å; F477-Y481 HydrophobicContact CZ-CD2 4.31Å; F477-Y481 PolarHBondContact O-N 3.23Å; Y481-E483 PolarHBondContact O-N 2.94Å; Y481-Y485 PolarHBondContact O-N 3.34Å | ||
| 482 | P | 78.2 | Confident | 77.7 | Confident | 64 Ų | 64 | 90.5 Ų | 90.5 | 42% | 0.416 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.4 | -33.6 | -173.4 | 25.1 | -33.6 | 0 | 0 | 0 | 113.5 | Q478 Y485 Q486 | Q478-P482 WeakPolarHBondContact O-CA 3.29Å; P482-Y485 PolarHBondContact O-N 3.05Å; P482-Q486 WeakPolarHBondContact O-CB 3.28Å; P482-Q486 VanDerWaalsContact O-CG 3.31Å; P482-Q486 WeakPolarHBondContact O-CG 3.42Å; P482-Q486 PolarHBondContact O-N 3.29Å |
| 483 | E | 75.3 | Confident | 76.7 | Confident | 141 Ų | 141 | 90.2 Ų | 90.2 | 66% | 0.659 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.7 | -49.3 | -177.4 | -65 | 175.3 | -174.4 | 0 | 0 | 111.8 | Y481 Y485 Q486 E487 | Y481-E483 PolarHBondContact O-N 2.94Å; E483-Y485 VanDerWaalsContact C-N 3.28Å; E483-Y485 PolarHBondContact O-N 3.48Å; E483-Q486 PolarHBondContact O-N 3.18Å; E483-E487 PolarHBondContact O-N 3.35Å |
| 484 | V | 78.2 | Confident | 75.8 | Confident | 9 Ų | 9 | 87 Ų | 87 | 6% | 0.055 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65 | -33.8 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | Q449 L452 A453 F477 R488 | Q449-V484 HydrophobicContact CB-CG2 4.44Å; Q449-V484 HydrophobicContact CG-CG2 4.08Å; L452-V484 HydrophobicContact CB-CG1 4.36Å; A453-V484 HydrophobicContact CB-CG1 4.14Å; F477-V484 HydrophobicContact CE1-CB 4.43Å; F477-V484 HydrophobicContact CE1-CG1 4.32Å; F477-V484 HydrophobicContact CZ-CG1 4.45Å; V484-R488 PolarHBondContact O-N 3.15Å |
| 485 | Y | 79.9 | Confident | 74.9 | Confident | 7 Ų | 7 | 90 Ų | 90 | 3% | 0.027 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69 | -41.1 | 175.3 | -173.7 | -89.6 | 0 | 0 | 0 | 112.3 | L456 L474 F477 Q478 Y481 P482 E483 R488 F489 E495 | L456-Y485 HydrophobicContact CD1-CD2 4.42Å; L456-Y485 HydrophobicContact CD2-CD2 4.48Å; L474-Y485 HydrophobicContact CB-CE2 4.36Å; L474-Y485 HydrophobicContact CD2-CE2 4.12Å; L474-Y485 HydrophobicContact CG-CE2 4.39Å; F477-Y485 HydrophobicContact CD1-CD2 4.45Å; Q478-Y485 HydrophobicContact CB-CD1 4.03Å; Q478-Y485 HydrophobicContact CB-CD2 3.92Å; Q478-Y485 HydrophobicContact CB-CE1 4.24Å; Q478-Y485 HydrophobicContact CB-CE2 4.15Å; Q478-Y485 HydrophobicContact CB-CG 3.85Å; Q478-Y485 HydrophobicContact CG-CD1 3.62Å; Q478-Y485 HydrophobicContact CG-CD2 4.44Å; Q478-Y485 HydrophobicContact CG-CE1 3.86Å; Q478-Y485 HydrophobicContact CG-CG 3.93Å; Y481-Y485 PolarHBondContact O-N 3.34Å; P482-Y485 PolarHBondContact O-N 3.05Å; E483-Y485 VanDerWaalsContact C-N 3.28Å; E483-Y485 PolarHBondContact O-N 3.48Å; Y485-R488 PolarHBondContact O-N 3.17Å; Y485-F489 HydrophobicContact CD1-CD2 4.34Å; Y485-F489 AromaticContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CE2 4.27Å; Y485-F489 HydrophobicContact CE1-CB 4.32Å; Y485-F489 HydrophobicContact CE1-CD2 4.04Å; Y485-F489 AromaticContact CE2-CD2 3.64Å; Y485-F489 HydrophobicContact CE2-CD2 3.64Å; Y485-F489 AromaticContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CG-CD2 4.32Å; Y485-F489 AromaticContact CZ-CD2 3.68Å; Y485-F489 PolarHBondContact O-N 3.36Å; Y485-E495 PolarHBondContact OH-OE1 3.16Å |
| 486 | Q | 77.1 | Confident | 73.9 | Confident | 130 Ų | 130 | 86.2 Ų | 86.2 | 61% | 0.607 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69 | -33.5 | 177.7 | -76.8 | 178 | 6.7 | 0 | 0 | 112.7 | P482 E483 R488 F489 P490 | P482-Q486 WeakPolarHBondContact O-CB 3.28Å; P482-Q486 VanDerWaalsContact O-CG 3.31Å; P482-Q486 WeakPolarHBondContact O-CG 3.42Å; P482-Q486 PolarHBondContact O-N 3.29Å; E483-Q486 PolarHBondContact O-N 3.18Å; Q486-R488 VanDerWaalsContact C-N 3.32Å; Q486-F489 CarbonylContact O-C 3.58Å; Q486-F489 VanDerWaalsContact O-C 3.24Å; Q486-P490 VanDerWaalsContact O-CA 3.31Å; Q486-P490 WeakPolarHBondContact O-CA 3.26Å; Q486-P490 VanDerWaalsContact O-N 3.15Å |
| 487 | E | 76.6 | Confident | 73.1 | Confident | 136 Ų | 136 | 87.3 Ų | 87.3 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.4 | -36.9 | 174.5 | -165.1 | 177.9 | -168.4 | 0 | 0 | 111.8 | E483 | E483-E487 PolarHBondContact O-N 3.35Å |
| 488 | R | 75 | Confident | 72 | Confident | 135 Ų | 135 | 90.1 Ų | 90.1 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -80.5 | -31.9 | 176 | -172.1 | 54.6 | 170.5 | -179.9 | -1.8 | 113.8 | L456 E457 V484 Y485 Q486 P490 | L456-R488 HydrophobicContact CD2-CB 3.84Å; L456-R488 HydrophobicContact CD2-CG 4.04Å; E457-R488 VanDerWaalsContact CD-CZ 3.49Å; E457-R488 IonicContact OE1-CZ 2.89Å; E457-R488 IonicContact OE1-NE 3.3Å; E457-R488 PolarHBondContact OE1-NE 3.27Å; E457-R488 IonicContact OE1-NH2 2.93Å; E457-R488 PolarHBondContact OE1-NH2 2.81Å; E457-R488 IonicContact OE2-CZ 3.63Å; E457-R488 IonicContact OE2-NE 3.36Å; E457-R488 IonicContact OE2-NH2 3.11Å; E457-R488 PolarHBondContact OE2-NH2 3.08Å; V484-R488 PolarHBondContact O-N 3.15Å; Y485-R488 PolarHBondContact O-N 3.17Å; Q486-R488 VanDerWaalsContact C-N 3.32Å; R488-P490 VanDerWaalsContact C-CD 3.49Å; R488-P490 WeakPolarHBondContact O-CD 3.25Å |
| 489 | F | 77.1 | Confident | 71 | Confident | 19 Ų | 19 | 88.2 Ų | 88.2 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | trans | -123.4 | 72.9 | 177.4 | -59.1 | -73.4 | 0 | 0 | 0 | 111.9 | L456 I460 L474 Y485 Q486 T491 S494 E495 L498 | L456-F489 HydrophobicContact CD2-CE2 4.39Å; I460-F489 HydrophobicContact CD1-CE2 4.13Å; I460-F489 HydrophobicContact CD1-CZ 3.7Å; L474-F489 HydrophobicContact CD2-CE2 4.19Å; L474-F489 HydrophobicContact CD2-CZ 4.31Å; Y485-F489 HydrophobicContact CD1-CD2 4.34Å; Y485-F489 AromaticContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CE2 4.27Å; Y485-F489 HydrophobicContact CE1-CB 4.32Å; Y485-F489 HydrophobicContact CE1-CD2 4.04Å; Y485-F489 AromaticContact CE2-CD2 3.64Å; Y485-F489 HydrophobicContact CE2-CD2 3.64Å; Y485-F489 AromaticContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CG-CD2 4.32Å; Y485-F489 AromaticContact CZ-CD2 3.68Å; Y485-F489 PolarHBondContact O-N 3.36Å; Q486-F489 CarbonylContact O-C 3.58Å; Q486-F489 VanDerWaalsContact O-C 3.24Å; F489-T491 VanDerWaalsContact C-N 3.27Å; F489-T491 PolarHBondContact O-N 2.98Å; F489-S494 WeakPolarHBondContact CA-OG 3.47Å; F489-E495 HydrophobicContact CD1-CB 4.18Å; F489-L498 HydrophobicContact CE1-CD1 3.59Å; F489-L498 HydrophobicContact CZ-CD1 3.64Å | ||
| 490 | P | 69.9 | Low | 69.7 | Low | 100 Ų | 100 | 84.5 Ų | 84.5 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -71 | -23.9 | -177.2 | -17.3 | 31.8 | 0 | 0 | 0 | 113.1 | Q486 R488 | Q486-P490 VanDerWaalsContact O-CA 3.31Å; Q486-P490 WeakPolarHBondContact O-CA 3.26Å; Q486-P490 VanDerWaalsContact O-N 3.15Å; R488-P490 VanDerWaalsContact C-CD 3.49Å; R488-P490 WeakPolarHBondContact O-CD 3.25Å |
| 491 | T | 70.1 | Confident | 68.4 | Low | 71 Ų | 71 | 88.5 Ų | 88.5 | 44% | 0.436 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -129.3 | 145.1 | -177.2 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | F489 E493 S494 | F489-T491 VanDerWaalsContact C-N 3.27Å; F489-T491 PolarHBondContact O-N 2.98Å; T491-E493 PolarHBondContact O-N 2.72Å; T491-E493 VanDerWaalsContact O-N 3.1Å; T491-S494 PolarHBondContact O-N 3.09Å; T491-S494 PolarHBondContact O-OG 3.37Å |
| 492 | P | 62.9 | Low | 66.9 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.7 | -17.4 | 179.6 | 25.9 | -34 | 0 | 0 | 0 | 113.4 | A496 | P492-A496 PolarHBondContact O-N 3.12Å |
| 493 | E | 60.1 | Low | 64.9 | Low | 150 Ų | 150 | 94.9 Ų | 94.9 | 70% | 0.701 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71 | -35 | 174.9 | -62.7 | 173.6 | 178.3 | 0 | 0 | 112.3 | T491 A496 L497 | T491-E493 PolarHBondContact O-N 2.72Å; T491-E493 VanDerWaalsContact O-N 3.1Å; E493-A496 PolarHBondContact O-N 3.06Å; E493-L497 PolarHBondContact O-N 2.91Å |
| 494 | S | 62.7 | Low | 63.3 | Low | 29 Ų | 29 | 96.6 Ų | 96.6 | 20% | 0.203 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 177.7 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | F489 T491 | F489-S494 WeakPolarHBondContact CA-OG 3.47Å; T491-S494 PolarHBondContact O-N 3.09Å; T491-S494 PolarHBondContact O-OG 3.37Å |
| 495 | E | 63.7 | Low | 61.6 | Low | 67 Ų | 67 | 102 Ų | 102 | 31% | 0.313 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.3 | -36.8 | 173.5 | -167.1 | -174.1 | 167.9 | 0 | 0 | 111.2 | Y485 F489 L497 L498 F499 | Y485-E495 PolarHBondContact OH-OE1 3.16Å; F489-E495 HydrophobicContact CD1-CB 4.18Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.07Å; E495-L498 PolarHBondContact O-N 3.46Å; E495-F499 PolarHBondContact O-N 3.38Å |
| 496 | A | 60.4 | Low | 59.5 | Low | 48 Ų | 48 | 111 Ų | 111 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.6 | -25 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P492 E493 L498 F499 | P492-A496 PolarHBondContact O-N 3.12Å; E493-A496 PolarHBondContact O-N 3.06Å; A496-L498 VanDerWaalsContact C-N 3.31Å; A496-L498 PolarHBondContact O-N 2.95Å; A496-F499 CarbonylContact O-C 3.55Å; A496-F499 VanDerWaalsContact O-C 3.26Å; A496-F499 PolarHBondContact O-N 3.11Å |
| 497 | L | 62.9 | Low | 57.7 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 79% | 0.791 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -30.3 | 174.5 | -77.2 | 167.1 | 0 | 0 | 0 | 113.1 | E493 E495 | E493-L497 PolarHBondContact O-N 2.91Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.07Å |
| 498 | L | 61.5 | Low | 55.9 | Low | 77 Ų | 77 | 113.2 Ų | 113.2 | 40% | 0.403 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | -26.8 | 178.4 | -67.9 | 172 | 0 | 0 | 0 | 112.7 | I460 F489 E495 A496 | I460-L498 HydrophobicContact CD1-CD1 4.23Å; I460-L498 HydrophobicContact CG1-CD1 4.39Å; I460-L498 HydrophobicContact CG2-CD1 3.76Å; I460-L498 HydrophobicContact CG2-CD2 3.85Å; I460-L498 HydrophobicContact CG2-CG 4.46Å; F489-L498 HydrophobicContact CE1-CD1 3.59Å; F489-L498 HydrophobicContact CZ-CD1 3.64Å; E495-L498 PolarHBondContact O-N 3.46Å; A496-L498 VanDerWaalsContact C-N 3.31Å; A496-L498 PolarHBondContact O-N 2.95Å |
| 499 | F | 61.3 | Low | 54.2 | Low | 40 Ų | 40 | 114.7 Ų | 114.7 | 18% | 0.175 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -137.1 | 88.5 | 178.3 | -58.4 | -78.7 | 0 | 0 | 0 | 110.3 | K470 L474 E495 A496 E501 | K470-F499 HydrophobicContact CB-CE1 4.14Å; K470-F499 HydrophobicContact CB-CZ 3.77Å; L474-F499 HydrophobicContact CD2-CE2 4.18Å; E495-F499 PolarHBondContact O-N 3.38Å; A496-F499 CarbonylContact O-C 3.55Å; A496-F499 VanDerWaalsContact O-C 3.26Å; A496-F499 PolarHBondContact O-N 3.11Å; F499-E501 PolarHBondContact O-N 3.11Å |
| 500 | P | 54.9 | Low | 52.4 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128.5 | 176.9 | 21 | -31.2 | 0 | 0 | 0 | 110.3 | K502 | P500-K502 PolarHBondContact O-N 3.07Š|
| 501 | E | 50.4 | Low | 50.8 | Low | 155 Ų | 155 | 124.6 Ų | 124.6 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.4 | 174.6 | -77.5 | -149 | 143.3 | 0 | 0 | 109.7 | F499 | F499-E501 PolarHBondContact O-N 3.11Š|
| 502 | K | 47.2 | Very low | 49.2 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.6 | 166.7 | -72 | -174.3 | 176.5 | -174.6 | 0 | 108.5 | P500 K504 | P500-K502 PolarHBondContact O-N 3.07Å; K502-K504 PolarHBondContact O-N 3.49Å |
| 503 | P | 36.2 | Very low | 48 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.6 | 178.1 | 22.7 | -31.1 | 0 | 0 | 0 | 110 | ||
| 504 | K | 40.9 | Very low | 47.4 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.3 | 173.1 | -71 | 174.3 | -177.1 | 168.2 | 0 | 108.7 | K502 | K502-K504 PolarHBondContact O-N 3.49Š|
| 505 | P | 42.7 | Very low | 46 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.2 | 168.2 | 25.6 | -30.3 | 0 | 0 | 0 | 109.4 | ||
| 506 | K | 35.4 | Very low | 44.7 | Very low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 143 | 179.9 | -69.9 | 175.5 | 176.3 | 176.7 | 0 | 111.4 | Q508 | K506-Q508 PolarHBondContact O-N 3.36Š|
| 507 | P | 39.5 | Very low | 43.8 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67 | 117.4 | 172.9 | 27.6 | -31.6 | 0 | 0 | 0 | 109.5 | L509 | P507-L509 PolarHBondContact O-N 3.48Š|
| 508 | Q | 39.2 | Very low | 42.6 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -71.2 | 112.9 | 163.9 | -79.3 | -179.7 | -27.1 | 0 | 0 | 108 | K506 L510 | K506-Q508 PolarHBondContact O-N 3.36Å; Q508-L510 PolarHBondContact O-N 2.7Å; Q508-L510 VanDerWaalsContact O-N 3.12Å | ||
| 509 | L | 39.6 | Very low | 41.7 | Very low | 166 Ų | 166 | 158 Ų | 158 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -56.6 | 108.7 | 166.9 | -81.3 | 153.5 | 0 | 0 | 0 | 109.4 | P507 M511 | P507-L509 PolarHBondContact O-N 3.48Å; L509-M511 PolarHBondContact O-N 3.49Å; L509-M511 VanDerWaalsContact O-N 3.16Å | ||
| 510 | L | 39.5 | Very low | 40.8 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 91.9 | 166.9 | -91.9 | 155 | 0 | 0 | 0 | 109 | Q508 W512 | Q508-L510 PolarHBondContact O-N 2.7Å; Q508-L510 VanDerWaalsContact O-N 3.12Å; L510-W512 PolarHBondContact O-N 3.17Å | ||
| 511 | M | 36.4 | Very low | 39.8 | Very low | 167 Ų | 167 | 166.8 Ų | 166.8 | 82% | 0.823 | 83% | 0.831 | S | S | * | * | trans | -81.5 | 93 | 160.6 | -73.8 | -77.6 | -82.1 | 0 | 0 | 108.3 | L509 | L509-M511 PolarHBondContact O-N 3.49Å; L509-M511 VanDerWaalsContact O-N 3.16Å | ||
| 512 | W | 36.3 | Very low | 39.2 | Very low | 243 Ų | 243 | 168.2 Ų | 168.2 | 92% | 0.92 | 84% | 0.838 | S | S | * | * | trans | -108.2 | 89.1 | 161.7 | -103.8 | 46.2 | 0 | 0 | 0 | 108.9 | L510 L514 | L510-W512 PolarHBondContact O-N 3.17Å; W512-L514 PolarHBondContact O-N 2.98Å | ||
| 513 | A | 37.1 | Very low | 38.9 | Very low | 88 Ų | 88 | 170.8 Ų | 170.8 | 73% | 0.727 | 84% | 0.843 | S | S | * | * | trans | -66.3 | 119.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 514 | L | 46.6 | Very low | 39.1 | Very low | 165 Ų | 165 | 172 Ų | 172 | 86% | 0.864 | 85% | 0.848 | S | S | * | * | trans | 18.2 | 107.6 | 139.1 | -72.2 | 154.7 | 0 | 0 | 0 | 116.2 | W512 | W512-L514 PolarHBondContact O-N 2.98Š| ||
| 515 | K | 34.8 | Very low | 39.1 | Very low | 201 Ų | 201 | 175.2 Ų | 175.2 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | trans | -165 | 89.8 | 143.5 | -108.2 | 171.1 | -168.3 | -175 | 0 | 111 | ||||
| 516 | K | 36.3 | Very low | 38.8 | Very low | 199 Ų | 199 | 175.1 Ų | 175.1 | 87% | 0.865 | 86% | 0.857 | S | S | * | * | 155.4 | 147.4 | 120.5 | -84 | -175.9 | -179.3 | -176.2 | 0 | 111.9 | |||||
| 517 | P | 41.4 | Very low | 38.9 | Very low | 118 Ų | 118 | 175.3 Ų | 175.3 | 77% | 0.766 | 86% | 0.858 | S | S | * | * | trans | -90.9 | 157.9 | -153.2 | 36 | -32.8 | 0 | 0 | 0 | 113.3 | ||||
| 518 | F | 38 | Very low | 38.8 | Very low | 208 Ų | 208 | 180.1 Ų | 180.1 | 91% | 0.912 | 86% | 0.861 | S | S | * | * | trans | -32.4 | 130.7 | 168.3 | -76.4 | -98.3 | 0 | 0 | 0 | 114.6 | ||||
| 519 | Q | 41.6 | Very low | 38.6 | Very low | 179 Ų | 179 | 183.7 Ų | 183.7 | 84% | 0.836 | 88% | 0.88 | S | S | * | * | trans | -111.1 | 134.9 | 148.3 | -80.6 | -162.5 | -31 | 0 | 0 | 109.3 | ||||
| 520 | P | 41.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 184.6 Ų | 184.6 | 78% | 0.779 | 88% | 0.881 | S | S | * | * | trans | -79.3 | 136.3 | -176.9 | 5 | 10.8 | 0 | 0 | 0 | 111.5 | Q522 | P520-Q522 PolarHBondContact O-N 3.11Å; P520-Q522 VanDerWaalsContact O-N 3.17Å | ||
| 521 | F | 35.4 | Very low | 38.5 | Very low | 215 Ų | 215 | 185.9 Ų | 185.9 | 94% | 0.943 | 88% | 0.883 | S | S | * | * | trans | -57.5 | 112.3 | 166.2 | -91.7 | -98 | 0 | 0 | 0 | 110.6 | ||||
| 522 | Q | 38 | Very low | 38.6 | Very low | 185 Ų | 185 | 186.9 Ų | 186.9 | 86% | 0.864 | 89% | 0.887 | S | S | * | * | trans | -84.6 | 120.7 | 162.2 | -74.8 | -167.3 | -23.3 | 0 | 0 | 109.8 | P520 | P520-Q522 PolarHBondContact O-N 3.11Å; P520-Q522 VanDerWaalsContact O-N 3.17Å | ||
| 523 | R | 40.8 | Very low | 38.8 | Very low | 243 Ų | 243 | 183.6 Ų | 183.6 | 92% | 0.917 | 89% | 0.885 | S | S | * | * | trans | -68.9 | 133.3 | 165.3 | -77.5 | 176.8 | 168.6 | 172.2 | -2.2 | 109.3 | ||||
| 524 | T | 39.6 | Very low | 38.9 | Very low | 146 Ų | 146 | 189.6 Ų | 189.6 | 90% | 0.896 | 89% | 0.894 | S | S | * | * | trans | -144.1 | 122.1 | 142.5 | 36.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 525 | R | 41.7 | Very low | 38.4 | Very low | 246 Ų | 246 | 191.3 Ų | 191.3 | 93% | 0.928 | 90% | 0.896 | S | S | * | * | trans | -65.4 | 149 | 162.8 | -68.1 | 173.1 | 167.4 | -176.5 | -5.2 | 109.5 | ||||
| 526 | S | 36.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 190.6 Ų | 190.6 | 85% | 0.846 | 90% | 0.898 | S | S | * | * | trans | -154.1 | 107.5 | 140.1 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 527 | F | 36.6 | Very low | 38.8 | Very low | 200 Ų | 200 | 189.9 Ų | 189.9 | 88% | 0.877 | 90% | 0.901 | S | S | * | * | trans | -84.5 | 141.8 | 150.4 | -105.4 | -95.9 | 0 | 0 | 0 | 107.4 | ||||
| 528 | R | 37.8 | Very low | 38.6 | Very low | 227 Ų | 227 | 195.9 Ų | 195.9 | 86% | 0.857 | 91% | 0.912 | S | S | * | * | trans | 2.4 | 138.9 | 162.6 | -69 | -177.5 | -179.9 | 179.5 | -1.7 | 119.6 | ||||
| 529 | M | 34.9 | Very low | 38.6 | Very low | 261 Ų | 261 | 194.8 Ų | 194.8 | 100% | 1.286 | 91% | 0.912 | S | S | * | * | -112.9 | 0 | 107.2 | -87.9 | -167 | 172.2 | 0 | 0 | 108.9 |
Retrieved 529 of 529 residues in 89.9 ms
(Link to these results)