| 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 | 54 | Low | 66.7 | Low | 198 Ų | 198 | 128.5 Ų | 128.5 | 98% | 0.975 | 62% | 0.622 | S | S | * | * | 0 | -52.6 | 0 | -98.3 | -175.2 | -174.7 | 0 | 0 | 113 | V3 Y4 N5 | M1-V3 PolarHBondContact O-N 3.15Å; M1-Y4 PolarHBondContact O-N 3.44Å; M1-N5 PolarHBondContact O-N 3.14Å | |||
| 2 | W | 59.9 | Low | 66.1 | Low | 223 Ų | 223 | 126.2 Ų | 126.2 | 85% | 0.845 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.7 | -40.3 | -177.2 | -84.2 | 75.9 | 0 | 0 | 0 | 115 | Y4 N5 V6 | W2-Y4 PolarHBondContact O-N 2.89Å; W2-N5 PolarHBondContact O-N 3.04Å; W2-V6 WeakPolarHBondContact O-CG2 3.43Å; W2-V6 PolarHBondContact O-N 2.83Å; W2-V6 VanDerWaalsContact O-N 3.15Å |
| 3 | V | 67.9 | Low | 65.5 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.5 | -37.5 | 179.6 | -177 | 0 | 0 | 0 | 0 | 112.3 | M1 V6 V7 | M1-V3 PolarHBondContact O-N 3.15Å; V3-V6 PolarHBondContact O-N 2.96Å; V3-V7 WeakPolarHBondContact O-CG2 3.32Å; V3-V7 PolarHBondContact O-N 3.08Å; V3-V7 VanDerWaalsContact O-N 3.13Å |
| 4 | Y | 68 | Low | 64.7 | Low | 195 Ų | 195 | 126.2 Ų | 126.2 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.1 | -38.2 | 177 | -91.2 | -87.3 | 0 | 0 | 0 | 112.1 | M1 W2 F8 | M1-Y4 PolarHBondContact O-N 3.44Å; W2-Y4 PolarHBondContact O-N 2.89Å; Y4-F8 WeakPolarHBondContact O-CB 3.31Å; Y4-F8 PolarHBondContact O-N 3.4Å |
| 5 | N | 69.7 | Low | 64 | Low | 100 Ų | 100 | 120.7 Ų | 120.7 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.7 | -36.8 | 177 | -75.3 | -28.2 | 0 | 0 | 0 | 112.2 | M1 W2 F8 I9 | M1-N5 PolarHBondContact O-N 3.14Å; W2-N5 PolarHBondContact O-N 3.04Å; N5-F8 PolarHBondContact O-N 3.13Å; N5-I9 WeakPolarHBondContact O-CB 3.49Å; N5-I9 VanDerWaalsContact O-CG1 3.24Å; N5-I9 WeakPolarHBondContact O-CG1 3.49Å; N5-I9 PolarHBondContact O-N 3.05Å |
| 6 | V | 73.4 | Confident | 63 | Low | 76 Ų | 76 | 119.3 Ų | 119.3 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.8 | -42.5 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | W2 V3 F8 I9 I10 | W2-V6 WeakPolarHBondContact O-CG2 3.43Å; W2-V6 PolarHBondContact O-N 2.83Å; W2-V6 VanDerWaalsContact O-N 3.15Å; V3-V6 PolarHBondContact O-N 2.96Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.39Å; V6-I9 PolarHBondContact O-N 3.27Å; V6-I10 HydrophobicContact CG1-CD1 3.85Å; V6-I10 VanDerWaalsContact O-CG1 3.3Å; V6-I10 WeakPolarHBondContact O-CG1 3.45Å; V6-I10 PolarHBondContact O-N 3.38Å |
| 7 | V | 69.8 | Low | 62.1 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.1 | -38.4 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | V3 I10 I11 | V3-V7 WeakPolarHBondContact O-CG2 3.32Å; V3-V7 PolarHBondContact O-N 3.08Å; V3-V7 VanDerWaalsContact O-N 3.13Å; V7-I10 PolarHBondContact O-N 3.32Å; V7-I11 HydrophobicContact CG1-CD1 3.75Å; V7-I11 HydrophobicContact CG1-CG1 4.41Å; V7-I11 VanDerWaalsContact O-CG1 3.27Å; V7-I11 WeakPolarHBondContact O-CG1 2.99Å; V7-I11 PolarHBondContact O-N 3.28Å |
| 8 | F | 68.6 | Low | 61.2 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 59% | 0.588 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.3 | -39.5 | 175.9 | -156.7 | -101.9 | 0 | 0 | 0 | 112 | Y4 N5 V6 I11 L12 | Y4-F8 WeakPolarHBondContact O-CB 3.31Å; Y4-F8 PolarHBondContact O-N 3.4Å; N5-F8 PolarHBondContact O-N 3.13Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.39Å; F8-I11 PolarHBondContact O-N 3.25Å; F8-L12 HydrophobicContact CD1-CD1 3.51Å; F8-L12 HydrophobicContact CD1-CG 4.05Å; F8-L12 HydrophobicContact CE1-CD1 3.55Å; F8-L12 HydrophobicContact CE1-CD2 4.41Å; F8-L12 HydrophobicContact CE1-CG 4.05Å; F8-L12 VanDerWaalsContact O-CB 3.3Å; F8-L12 WeakPolarHBondContact O-CB 3.45Å; F8-L12 WeakPolarHBondContact O-CG 3.46Å; F8-L12 PolarHBondContact O-N 3.34Å |
| 9 | I | 70.2 | Confident | 60.5 | Low | 94 Ų | 94 | 119.1 Ų | 119.1 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 175.4 | -70.5 | 170.6 | 0 | 0 | 0 | 111.3 | N5 V6 L12 F13 | N5-I9 WeakPolarHBondContact O-CB 3.49Å; N5-I9 VanDerWaalsContact O-CG1 3.24Å; N5-I9 WeakPolarHBondContact O-CG1 3.49Å; N5-I9 PolarHBondContact O-N 3.05Å; V6-I9 PolarHBondContact O-N 3.27Å; I9-L12 PolarHBondContact O-N 3.12Å; I9-F13 HydrophobicContact CG2-CD2 3.9Å; I9-F13 HydrophobicContact CG2-CE2 4.33Å; I9-F13 WeakPolarHBondContact O-CB 3.06Å; I9-F13 PolarHBondContact O-N 2.63Å |
| 10 | I | 67.8 | Low | 59.6 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.8 | -41.2 | 177.4 | -66.2 | 166.3 | 0 | 0 | 0 | 111 | V6 V7 L12 F13 E14 | V6-I10 HydrophobicContact CG1-CD1 3.85Å; V6-I10 VanDerWaalsContact O-CG1 3.3Å; V6-I10 WeakPolarHBondContact O-CG1 3.45Å; V6-I10 PolarHBondContact O-N 3.38Å; V7-I10 PolarHBondContact O-N 3.32Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-F13 PolarHBondContact O-N 2.84Å; I10-E14 HydrophobicContact CG2-CG 4.35Å; I10-E14 WeakPolarHBondContact O-CB 3.5Å; I10-E14 WeakPolarHBondContact O-CG 3.25Å; I10-E14 PolarHBondContact O-N 3.36Å |
| 11 | I | 64.9 | Low | 58.7 | Low | 111 Ų | 111 | 120.6 Ų | 120.6 | 57% | 0.569 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.9 | -37.1 | 175.6 | -66.4 | 168.6 | 0 | 0 | 0 | 111 | V7 F8 G15 | V7-I11 HydrophobicContact CG1-CD1 3.75Å; V7-I11 HydrophobicContact CG1-CG1 4.41Å; V7-I11 VanDerWaalsContact O-CG1 3.27Å; V7-I11 WeakPolarHBondContact O-CG1 2.99Å; V7-I11 PolarHBondContact O-N 3.28Å; F8-I11 PolarHBondContact O-N 3.25Å; I11-G15 PolarHBondContact O-N 3.26Å |
| 12 | L | 59.1 | Low | 58.5 | Low | 100 Ų | 100 | 119.1 Ų | 119.1 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -39.7 | 172.7 | -74.4 | 175.7 | 0 | 0 | 0 | 111.6 | F8 I9 I10 G15 L16 | F8-L12 HydrophobicContact CD1-CD1 3.51Å; F8-L12 HydrophobicContact CD1-CG 4.05Å; F8-L12 HydrophobicContact CE1-CD1 3.55Å; F8-L12 HydrophobicContact CE1-CD2 4.41Å; F8-L12 HydrophobicContact CE1-CG 4.05Å; F8-L12 VanDerWaalsContact O-CB 3.3Å; F8-L12 WeakPolarHBondContact O-CB 3.45Å; F8-L12 WeakPolarHBondContact O-CG 3.46Å; F8-L12 PolarHBondContact O-N 3.34Å; I9-L12 PolarHBondContact O-N 3.12Å; I10-L12 VanDerWaalsContact C-N 3.34Å; L12-G15 PolarHBondContact O-N 2.74Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.98Å |
| 13 | F | 58.3 | Low | 58.3 | Low | 129 Ų | 129 | 110.6 Ų | 110.6 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70 | -41 | 177.5 | -106 | -92.2 | 0 | 0 | 0 | 112.3 | I9 I10 L16 W17 | I9-F13 HydrophobicContact CG2-CD2 3.9Å; I9-F13 HydrophobicContact CG2-CE2 4.33Å; I9-F13 WeakPolarHBondContact O-CB 3.06Å; I9-F13 PolarHBondContact O-N 2.63Å; I10-F13 PolarHBondContact O-N 2.84Å; F13-L16 PolarHBondContact O-N 3.07Å; F13-W17 VanDerWaalsContact O-CB 3.29Å; F13-W17 WeakPolarHBondContact O-CB 3.36Å; F13-W17 PolarHBondContact O-N 3.05Å |
| 14 | E | 54.6 | Low | 57.9 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 172.6 | -77.3 | -94.4 | 151 | 0 | 0 | 111.2 | I10 L18 | I10-E14 HydrophobicContact CG2-CG 4.35Å; I10-E14 WeakPolarHBondContact O-CB 3.5Å; I10-E14 WeakPolarHBondContact O-CG 3.25Å; I10-E14 PolarHBondContact O-N 3.36Å; E14-L18 VanDerWaalsContact O-CB 3.29Å; E14-L18 WeakPolarHBondContact O-CB 3.38Å; E14-L18 VanDerWaalsContact O-CG 3.32Å; E14-L18 WeakPolarHBondContact O-CG 3.45Å; E14-L18 PolarHBondContact O-N 3.36Å |
| 15 | G | 53.6 | Low | 57.8 | Low | 43 Ų | 43 | 104.7 Ų | 104.7 | 44% | 0.443 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -33.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I11 L12 A19 | I11-G15 PolarHBondContact O-N 3.26Å; L12-G15 PolarHBondContact O-N 2.74Å; G15-A19 VanDerWaalsContact O-CB 3.22Å; G15-A19 WeakPolarHBondContact O-CB 3.42Å; G15-A19 PolarHBondContact O-N 3.08Å |
| 16 | L | 49.2 | Very low | 57.9 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -78.5 | -38.3 | 177.1 | -151.7 | 74.5 | 0 | 0 | 0 | 111.3 | L12 F13 A19 E20 | L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.98Å; F13-L16 PolarHBondContact O-N 3.07Å; L16-A19 PolarHBondContact O-N 2.74Å; L16-E20 WeakPolarHBondContact O-CB 3.4Å; L16-E20 PolarHBondContact O-N 3.41Å |
| 17 | W | 47.7 | Very low | 58 | Low | 159 Ų | 159 | 101.9 Ų | 101.9 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.9 | -37.2 | 175 | -108.4 | 68 | 0 | 0 | 0 | 112.9 | F13 A19 F21 | F13-W17 VanDerWaalsContact O-CB 3.29Å; F13-W17 WeakPolarHBondContact O-CB 3.36Å; F13-W17 PolarHBondContact O-N 3.05Å; W17-A19 VanDerWaalsContact C-N 3.33Å; W17-F21 HydrophobicContact CE3-CD2 4.34Å; W17-F21 AromaticContact CE3-CE2 3.75Å; W17-F21 HydrophobicContact CE3-CE2 3.75Å; W17-F21 AromaticContact CZ3-CE2 3.59Å; W17-F21 HydrophobicContact CZ3-CE2 3.59Å; W17-F21 HydrophobicContact CZ3-CZ 4.3Å; W17-F21 PolarHBondContact O-N 3.3Å |
| 18 | L | 45.4 | Very low | 58.6 | Low | 130 Ų | 130 | 99 Ų | 99 | 68% | 0.681 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.2 | -25.3 | 173.9 | -73.1 | 167 | 0 | 0 | 0 | 112.4 | E14 | E14-L18 VanDerWaalsContact O-CB 3.29Å; E14-L18 WeakPolarHBondContact O-CB 3.38Å; E14-L18 VanDerWaalsContact O-CG 3.32Å; E14-L18 WeakPolarHBondContact O-CG 3.45Å; E14-L18 PolarHBondContact O-N 3.36Å |
| 19 | A | 47 | Very low | 59.2 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -77.4 | -29.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G15 L16 W17 | G15-A19 VanDerWaalsContact O-CB 3.22Å; G15-A19 WeakPolarHBondContact O-CB 3.42Å; G15-A19 PolarHBondContact O-N 3.08Å; L16-A19 PolarHBondContact O-N 2.74Å; W17-A19 VanDerWaalsContact C-N 3.33Å |
| 20 | E | 42.5 | Very low | 59.8 | Low | 134 Ų | 134 | 98.4 Ų | 98.4 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -82.5 | -11.2 | 179.1 | -81.8 | 176.9 | 155.8 | 0 | 0 | 114.6 | L16 K22 | L16-E20 WeakPolarHBondContact O-CB 3.4Å; L16-E20 PolarHBondContact O-N 3.41Å; E20-K22 PolarHBondContact O-N 2.9Å |
| 21 | F | 40.8 | Very low | 60.4 | Low | 136 Ų | 136 | 93.8 Ų | 93.8 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 4.7 | 170.7 | -96.1 | -76.9 | 0 | 0 | 0 | 115.1 | W17 S23 | W17-F21 HydrophobicContact CE3-CD2 4.34Å; W17-F21 AromaticContact CE3-CE2 3.75Å; W17-F21 HydrophobicContact CE3-CE2 3.75Å; W17-F21 AromaticContact CZ3-CE2 3.59Å; W17-F21 HydrophobicContact CZ3-CE2 3.59Å; W17-F21 HydrophobicContact CZ3-CZ 4.3Å; W17-F21 PolarHBondContact O-N 3.3Å; F21-S23 PolarHBondContact O-N 3.41Å |
| 22 | K | 49.6 | Very low | 61 | Low | 166 Ų | 166 | 93.7 Ų | 93.7 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | trans | -75.5 | 46.7 | 157.1 | -85.1 | -176.2 | 174.1 | 178.6 | 0 | 110.8 | E20 | E20-K22 PolarHBondContact O-N 2.9Š| ||
| 23 | S | 56.8 | Low | 62.1 | Low | 45 Ų | 45 | 93.1 Ų | 93.1 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | trans | -68.2 | 148.7 | 175.5 | 79.1 | 0 | 0 | 0 | 0 | 109.3 | F21 D25 S26 | F21-S23 PolarHBondContact O-N 3.41Å; S23-D25 PolarHBondContact O-N 2.99Å; S23-S26 WeakPolarHBondContact O-CB 3.38Å; S23-S26 PolarHBondContact O-N 2.85Å; S23-S26 PolarHBondContact O-OG 3.44Å | ||
| 24 | V | 59.6 | Low | 63.2 | Low | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -44.4 | -36.5 | 173.5 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | S26 H27 C28 I61 | V24-S26 PolarHBondContact O-N 3.08Å; V24-H27 PolarHBondContact O-N 3.15Å; V24-C28 PolarHBondContact O-N 3.48Å; V24-C28 VanDerWaalsContact O-N 3.11Å; V24-I61 HydrophobicContact CB-CD1 4.16Å; V24-I61 HydrophobicContact CG1-CB 4.25Å; V24-I61 HydrophobicContact CG1-CD1 3.63Å; V24-I61 HydrophobicContact CG1-CG1 3.61Å; V24-I61 HydrophobicContact CG1-CG2 3.59Å; V24-I61 HydrophobicContact CG2-CD1 3.58Å; V24-I61 HydrophobicContact CG2-CG1 4.19Å |
| 25 | D | 65.6 | Low | 64.2 | Low | 108 Ų | 108 | 82.4 Ų | 82.4 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 177.9 | -62.3 | -43.1 | 0 | 0 | 0 | 112.7 | S23 H27 C28 M29 | S23-D25 PolarHBondContact O-N 2.99Å; D25-H27 PolarHBondContact O-N 3.3Å; D25-C28 PolarHBondContact O-N 3.41Å; D25-M29 WeakPolarHBondContact O-CB 3.39Å; D25-M29 WeakPolarHBondContact O-CG 3.33Å; D25-M29 PolarHBondContact O-N 3.49Å |
| 26 | S | 71.6 | Confident | 65.3 | Low | 41 Ų | 41 | 84.3 Ų | 84.3 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 178 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | S23 V24 M29 L30 | S23-S26 WeakPolarHBondContact O-CB 3.38Å; S23-S26 PolarHBondContact O-N 2.85Å; S23-S26 PolarHBondContact O-OG 3.44Å; V24-S26 PolarHBondContact O-N 3.08Å; S26-M29 PolarHBondContact O-N 2.74Å; S26-L30 WeakPolarHBondContact O-CB 3.49Å; S26-L30 PolarHBondContact O-N 3.36Å |
| 27 | H | 75.1 | Confident | 66.4 | Low | 76 Ų | 76 | 88.5 Ų | 88.5 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 179.5 | -74.4 | -160.9 | 0 | 0 | 0 | 110.9 | V24 D25 L30 A31 | V24-H27 PolarHBondContact O-N 3.15Å; D25-H27 PolarHBondContact O-N 3.3Å; H27-L30 PolarHBondContact O-N 3.48Å; H27-A31 WeakPolarHBondContact O-CB 3.44Å; H27-A31 PolarHBondContact O-N 2.87Å |
| 28 | C | 82.3 | Confident | 67.1 | Low | 16 Ų | 16 | 85.9 Ų | 85.9 | 11% | 0.108 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 174.8 | -72.1 | 0 | 0 | 0 | 0 | 112.8 | V24 D25 A31 R32 I61 C63 | V24-C28 PolarHBondContact O-N 3.48Å; V24-C28 VanDerWaalsContact O-N 3.11Å; D25-C28 PolarHBondContact O-N 3.41Å; C28-A31 PolarHBondContact O-N 2.04Å; C28-R32 WeakPolarHBondContact O-CB 3.4Å; C28-R32 WeakPolarHBondContact O-CG 2.96Å; C28-R32 PolarHBondContact O-N 3.49Å; C28-I61 WeakPolarHBondContact SG-CG2 3.39Å; C28-C63 WeakPolarHBondContact CA-SG 3.48Å; C28-C63 HydrophobicContact CB-CB 3.63Å; C28-C63 WeakPolarHBondContact CB-SG 3.47Å; C28-C63 VanDerWaalsContact SG-CA 3.53Å; C28-C63 WeakPolarHBondContact SG-CB 3.44Å; C28-C63 CovalentContact SG-SG 2.04Å; C28-C63 PolarHBondContact SG-SG 3.37Å |
| 29 | M | 82.3 | Confident | 67.6 | Low | 137 Ų | 137 | 84.9 Ų | 84.9 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 173.2 | -77.6 | -177.3 | -171 | 0 | 0 | 111 | D25 S26 A31 R32 E33 | D25-M29 WeakPolarHBondContact O-CB 3.39Å; D25-M29 WeakPolarHBondContact O-CG 3.33Å; D25-M29 PolarHBondContact O-N 3.49Å; S26-M29 PolarHBondContact O-N 2.74Å; M29-A31 PolarHBondContact O-N 3.3Å; M29-R32 PolarHBondContact O-N 3.1Å; M29-E33 PolarHBondContact O-N 2.64Å |
| 30 | L | 81.9 | Confident | 67.7 | Low | 77 Ų | 77 | 87 Ų | 87 | 40% | 0.403 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177.3 | -173 | 61.4 | 0 | 0 | 0 | 112 | S26 H27 R32 E33 I34 I259 | S26-L30 WeakPolarHBondContact O-CB 3.49Å; S26-L30 PolarHBondContact O-N 3.36Å; H27-L30 PolarHBondContact O-N 3.48Å; L30-R32 PolarHBondContact O-N 3.31Å; L30-E33 PolarHBondContact O-N 3.13Å; L30-I34 HydrophobicContact CG-CD1 4.35Å; L30-I34 VanDerWaalsContact O-CG1 3.3Å; L30-I34 WeakPolarHBondContact O-CG1 2.95Å; L30-I34 PolarHBondContact O-N 2.92Å; L30-I259 HydrophobicContact CB-CD1 4.34Å; L30-I259 HydrophobicContact CD2-CG1 4.08Å; L30-I259 HydrophobicContact CD2-CG2 4.02Å; L30-I259 HydrophobicContact CG-CD1 4.32Å; L30-I259 HydrophobicContact CG-CG1 4.41Å; L30-I259 HydrophobicContact CG-CG2 4.47Å |
| 31 | A | 80.8 | Confident | 68 | Low | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H27 C28 M29 I34 I35 L254 I259 | H27-A31 WeakPolarHBondContact O-CB 3.44Å; H27-A31 PolarHBondContact O-N 2.87Å; C28-A31 PolarHBondContact O-N 2.04Å; M29-A31 PolarHBondContact O-N 3.3Å; A31-I34 PolarHBondContact O-N 3.45Å; A31-I35 VanDerWaalsContact O-CG1 3.28Å; A31-I35 WeakPolarHBondContact O-CG1 3.2Å; A31-I35 PolarHBondContact O-N 2.75Å; A31-L254 HydrophobicContact CB-CB 4.21Å; A31-L254 HydrophobicContact CB-CD2 4.38Å; A31-L254 WeakPolarHBondContact CB-O 3.43Å; A31-I259 HydrophobicContact CB-CD1 3.69Å |
| 32 | R | 78.1 | Confident | 68.2 | Low | 108 Ų | 108 | 90.9 Ų | 90.9 | 41% | 0.408 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 177 | -74.5 | 178.2 | -178.3 | 178.1 | 2.9 | 112.2 | C28 M29 L30 I34 I35 N36 C63 | C28-R32 WeakPolarHBondContact O-CB 3.4Å; C28-R32 WeakPolarHBondContact O-CG 2.96Å; C28-R32 PolarHBondContact O-N 3.49Å; M29-R32 PolarHBondContact O-N 3.1Å; L30-R32 PolarHBondContact O-N 3.31Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I35 PolarHBondContact O-N 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.11Å; R32-N36 PolarHBondContact O-N 3.01Å; R32-N36 PolarHBondContact O-ND2 3.36Å; R32-C63 PolarHBondContact NE-O 3.47Å; R32-C63 PolarHBondContact NH2-O 2.97Å |
| 33 | E | 80.9 | Confident | 68 | Low | 89 Ų | 89 | 87.9 Ų | 87.9 | 42% | 0.416 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.4 | -165.8 | -171.4 | 159 | 0 | 0 | 111.2 | M29 L30 N36 R37 | M29-E33 PolarHBondContact O-N 2.64Å; L30-E33 PolarHBondContact O-N 3.13Å; E33-N36 PolarHBondContact O-N 3.23Å; E33-R37 WeakPolarHBondContact O-CG 3.39Å; E33-R37 PolarHBondContact O-N 3.1Å; E33-R37 IonicContact OE1-CZ 3.84Å; E33-R37 IonicContact OE1-NE 3.55Å; E33-R37 PolarHBondContact OE1-NE 3.38Å; E33-R37 IonicContact OE1-NH2 2.7Å; E33-R37 PolarHBondContact OE1-NH2 3.34Å |
| 34 | I | 81.1 | Confident | 67.6 | Low | 22 Ų | 22 | 94.3 Ų | 94.3 | 11% | 0.113 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 175.8 | -68 | 167.9 | 0 | 0 | 0 | 110.4 | L30 A31 R32 N36 R37 Y38 L254 I259 | L30-I34 HydrophobicContact CG-CD1 4.35Å; L30-I34 VanDerWaalsContact O-CG1 3.3Å; L30-I34 WeakPolarHBondContact O-CG1 2.95Å; L30-I34 PolarHBondContact O-N 2.92Å; A31-I34 PolarHBondContact O-N 3.45Å; R32-I34 VanDerWaalsContact C-N 3.34Å; I34-N36 VanDerWaalsContact C-N 3.3Å; I34-N36 PolarHBondContact O-N 3.31Å; I34-R37 PolarHBondContact O-N 2.91Å; I34-Y38 HydrophobicContact CG2-CD2 4.46Å; I34-Y38 HydrophobicContact CG2-CE2 4Å; I34-Y38 WeakPolarHBondContact O-CD2 2.93Å; I34-L254 HydrophobicContact CD1-CD2 4.33Å; I34-L254 HydrophobicContact CG2-CD1 4.09Å; I34-L254 HydrophobicContact CG2-CD2 4.39Å; I34-I259 HydrophobicContact CD1-CD1 4.23Å; I34-I259 HydrophobicContact CD1-CG2 3.74Å |
| 35 | I | 76.9 | Confident | 67 | Low | 5 Ų | 5 | 93.2 Ų | 93.2 | 3% | 0.026 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 179.1 | -64.8 | 163 | 0 | 0 | 0 | 110.8 | A31 R32 R37 Y38 N71 I72 L254 | A31-I35 VanDerWaalsContact O-CG1 3.28Å; A31-I35 WeakPolarHBondContact O-CG1 3.2Å; A31-I35 PolarHBondContact O-N 2.75Å; R32-I35 PolarHBondContact O-N 3.28Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 3.08Å; I35-Y38 PolarHBondContact O-N 2.77Å; I35-N71 HydrophobicContact CG2-CB 3.81Å; I35-I72 HydrophobicContact CD1-CD1 3.71Å; I35-I72 HydrophobicContact CD1-CG1 4.13Å; I35-I72 HydrophobicContact CG1-CD1 4.18Å; I35-I72 HydrophobicContact CG1-CG1 4.1Å; I35-I72 HydrophobicContact CG2-CG1 4.38Å; I35-L254 HydrophobicContact CD1-CB 4.19Å; I35-L254 HydrophobicContact CD1-CD1 4.36Å; I35-L254 HydrophobicContact CG1-CB 4.45Å; I35-L254 HydrophobicContact CG1-CD1 3.72Å |
| 36 | N | 75.8 | Confident | 66 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.3 | -24.9 | -177.8 | -70.7 | -18.9 | 0 | 0 | 0 | 113.5 | R32 E33 I34 Y38 I39 | R32-N36 WeakPolarHBondContact O-CB 3.11Å; R32-N36 PolarHBondContact O-N 3.01Å; R32-N36 PolarHBondContact O-ND2 3.36Å; E33-N36 PolarHBondContact O-N 3.23Å; I34-N36 VanDerWaalsContact C-N 3.3Å; I34-N36 PolarHBondContact O-N 3.31Å; N36-Y38 PolarHBondContact O-N 3.4Å; N36-I39 HydrophobicContact CB-CD1 4.27Å; N36-I39 VanDerWaalsContact O-CD1 3.28Å; N36-I39 WeakPolarHBondContact O-CD1 3.45Å; N36-I39 VanDerWaalsContact O-CG1 3.22Å; N36-I39 WeakPolarHBondContact O-CG1 3.48Å; N36-I39 PolarHBondContact O-N 3.43Å |
| 37 | R | 71.6 | Confident | 64.9 | Low | 188 Ų | 188 | 101.6 Ų | 101.6 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -23.4 | 174.7 | -77.1 | 179.1 | -174 | -161.6 | 4 | 113.2 | E33 I34 I35 I39 | E33-R37 WeakPolarHBondContact O-CG 3.39Å; E33-R37 PolarHBondContact O-N 3.1Å; E33-R37 IonicContact OE1-CZ 3.84Å; E33-R37 IonicContact OE1-NE 3.55Å; E33-R37 PolarHBondContact OE1-NE 3.38Å; E33-R37 IonicContact OE1-NH2 2.7Å; E33-R37 PolarHBondContact OE1-NH2 3.34Å; I34-R37 PolarHBondContact O-N 2.91Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 3.08Å; R37-I39 VanDerWaalsContact C-N 3.34Å |
| 38 | Y | 62.3 | Low | 63.9 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 14.5 | -177.5 | -72.5 | -78.5 | 0 | 0 | 0 | 113.8 | I34 I35 N36 S40 I75 R422 | I34-Y38 HydrophobicContact CG2-CD2 4.46Å; I34-Y38 HydrophobicContact CG2-CE2 4Å; I34-Y38 WeakPolarHBondContact O-CD2 2.93Å; I35-Y38 PolarHBondContact O-N 2.77Å; N36-Y38 PolarHBondContact O-N 3.4Å; Y38-S40 PolarHBondContact O-N 2.93Å; Y38-I75 HydrophobicContact CG-CD1 4.41Å; Y38-R422 PolarHBondContact OH-NH2 3.45Å |
| 39 | I | 57.3 | Low | 62.7 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | trans | -68.1 | 99.3 | 178.9 | -62.4 | 167.4 | 0 | 0 | 0 | 109.6 | N36 R37 | N36-I39 HydrophobicContact CB-CD1 4.27Å; N36-I39 VanDerWaalsContact O-CD1 3.28Å; N36-I39 WeakPolarHBondContact O-CD1 3.45Å; N36-I39 VanDerWaalsContact O-CG1 3.22Å; N36-I39 WeakPolarHBondContact O-CG1 3.48Å; N36-I39 PolarHBondContact O-N 3.43Å; R37-I39 VanDerWaalsContact C-N 3.34Å | ||
| 40 | S | 48.6 | Very low | 61.9 | Low | 108 Ų | 108 | 103.2 Ų | 103.2 | 76% | 0.755 | 51% | 0.512 | S | S | * | . | trans | -139.4 | 99.1 | 167.2 | -71.5 | 0 | 0 | 0 | 0 | 108.4 | Y38 | Y38-S40 PolarHBondContact O-N 2.93Š| ||
| 41 | R | 49.2 | Very low | 61.7 | Low | 231 Ų | 231 | 100.4 Ų | 100.4 | 87% | 0.872 | 50% | 0.497 | S | S | * | . | trans | 57.6 | 119.4 | 174.7 | -65.3 | -177 | -178.6 | -172.2 | 0.5 | 116.7 | L43 | R41-L43 PolarHBondContact O-N 3.35Š| ||
| 42 | P | 43.7 | Very low | 61.6 | Low | 122 Ų | 122 | 102.1 Ų | 102.1 | 79% | 0.792 | 51% | 0.508 | S | S | * | . | trans | -70.1 | 116.8 | 173.4 | 28.4 | -30.5 | 0 | 0 | 0 | 110.1 | ||||
| 43 | L | 46.8 | Very low | 60.9 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | trans | -78.3 | 122.5 | 154.5 | -80.2 | 150 | 0 | 0 | 0 | 106.1 | R41 P45 F78 | R41-L43 PolarHBondContact O-N 3.35Å; L43-P45 WeakPolarHBondContact O-CD 3.47Å; L43-P45 VanDerWaalsContact O-N 3.1Å; L43-F78 HydrophobicContact CD1-CB 4.33Å | ||
| 44 | E | 47.7 | Very low | 59.5 | Low | 179 Ų | 179 | 102 Ų | 102 | 84% | 0.836 | 52% | 0.521 | S | S | * | . | trans | -60.9 | 109 | 175.8 | -75.4 | -166.7 | 152.8 | 0 | 0 | 109.8 | N46 | E44-N46 PolarHBondContact O-N 3.33Š| ||
| 45 | P | 47.3 | Very low | 57.7 | Low | 52 Ų | 52 | 108.7 Ų | 108.7 | 34% | 0.338 | 56% | 0.557 | S | S | . | * | trans | -82 | 108.8 | 173.4 | 5 | 15.6 | 0 | 0 | 0 | 106.6 | L43 Q47 V73 | L43-P45 WeakPolarHBondContact O-CD 3.47Å; L43-P45 VanDerWaalsContact O-N 3.1Å; P45-Q47 PolarHBondContact O-N 2.89Å; P45-V73 HydrophobicContact CB-CG1 4.29Å | ||
| 46 | N | 44.8 | Very low | 55.6 | Low | 154 Ų | 154 | 112.5 Ų | 112.5 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -61.4 | 109.2 | 164.2 | -79.9 | -37.4 | 0 | 0 | 0 | 107.7 | E44 | E44-N46 PolarHBondContact O-N 3.33Š|
| 47 | Q | 49.4 | Very low | 53.5 | Low | 170 Ų | 170 | 110.9 Ų | 110.9 | 79% | 0.794 | 60% | 0.601 | S | S | * | * | trans | 73.7 | 103.8 | 178.8 | -58.2 | 178.4 | -31.2 | 0 | 0 | 115.4 | P45 V49 | P45-Q47 PolarHBondContact O-N 2.89Å; Q47-V49 VanDerWaalsContact C-N 3.3Å; Q47-V49 PolarHBondContact O-N 3.09Å | ||
| 48 | V | 52.6 | Low | 51.8 | Low | 52 Ų | 52 | 108.3 Ų | 108.3 | 32% | 0.315 | 61% | 0.612 | S | S | . | * | trans | -73.9 | 88 | 164.4 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | L69 K70 | V48-L69 HydrophobicContact CG1-CB 4.47Å; V48-K70 HydrophobicContact CG2-CD 4.05Å; V48-K70 HydrophobicContact CG2-CG 3.47Å; V48-K70 VanDerWaalsContact CG2-CG 3.47Å | ||
| 49 | V | 57.4 | Low | 51.2 | Low | 93 Ų | 93 | 112.1 Ų | 112.1 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | trans | -69.9 | 140.4 | 165.6 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | Q47 L51 | Q47-V49 VanDerWaalsContact C-N 3.3Å; Q47-V49 PolarHBondContact O-N 3.09Å; V49-L51 PolarHBondContact O-N 3.44Å | ||
| 50 | N | 65 | Low | 51.2 | Low | 119 Ų | 119 | 110.9 Ų | 110.9 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | -61.7 | 82.6 | 170.3 | -95.3 | -4.2 | 0 | 0 | 0 | 109.6 | ||||
| 51 | L | 78.4 | Confident | 52.1 | Low | 18 Ų | 18 | 109.1 Ų | 109.1 | 9% | 0.094 | 62% | 0.616 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -36.3 | -170.3 | -166 | 73.5 | 0 | 0 | 0 | 112 | V49 G53 V73 N244 I247 K248 | V49-L51 PolarHBondContact O-N 3.44Å; L51-G53 VanDerWaalsContact C-N 3.35Å; L51-V73 HydrophobicContact CD2-CG2 4.16Å; L51-N244 HydrophobicContact CD1-CB 3.6Å; L51-N244 VanDerWaalsContact CD1-CG 3.43Å; L51-N244 WeakPolarHBondContact CD1-OD1 3.49Å; L51-I247 HydrophobicContact CD2-CB 3.62Å; L51-I247 HydrophobicContact CD2-CD1 3.83Å; L51-I247 HydrophobicContact CD2-CG1 4.34Å; L51-I247 HydrophobicContact CD2-CG2 3.46Å; L51-I247 VanDerWaalsContact CD2-CG2 3.46Å; L51-K248 HydrophobicContact CG-CG 4.35Å; L51-K248 WeakPolarHBondContact O-CE 3.46Å |
| 52 | C | 79.5 | Confident | 53.5 | Low | 35 Ų | 35 | 102.9 Ų | 102.9 | 24% | 0.236 | 60% | 0.599 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | 23.6 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | L69 C252 C255 | C52-L69 HydrophobicContact CB-CD2 4.14Å; C52-C252 WeakPolarHBondContact CA-SG 3.38Å; C52-C252 HydrophobicContact CB-CB 3.68Å; C52-C252 WeakPolarHBondContact CB-SG 3.39Å; C52-C252 WeakPolarHBondContact SG-CA 3.49Å; C52-C252 WeakPolarHBondContact SG-CB 3.44Å; C52-C252 CovalentContact SG-SG 2.03Å; C52-C252 PolarHBondContact SG-SG 2.81Å; C52-C255 HydrophobicContact CB-CB 4.2Å |
| 53 | G | 63.1 | Low | 55.4 | Low | 32 Ų | 32 | 97.1 Ų | 97.1 | 33% | 0.33 | 56% | 0.562 | S | S | . | * | trans | -72.7 | 144.3 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | L51 N55 | L51-G53 VanDerWaalsContact C-N 3.35Å; G53-N55 PolarHBondContact O-N 3.04Å | ||
| 54 | E | 50.1 | Low | 57.1 | Low | 162 Ų | 162 | 92.7 Ų | 92.7 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | trans | -19.8 | 97.7 | 171.5 | -62.9 | 174.4 | 170.7 | 0 | 0 | 116.1 | ||||
| 55 | N | 43.5 | Very low | 58.8 | Low | 163 Ų | 163 | 88 Ų | 88 | 87% | 0.872 | 52% | 0.52 | S | S | * | . | trans | -139.5 | 100.7 | 168.3 | -82.3 | -52.1 | 0 | 0 | 0 | 111.5 | G53 | G53-N55 PolarHBondContact O-N 3.04Š| ||
| 56 | G | 33.7 | Very low | 60.4 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 88% | 0.876 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 107 | 55.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 57 | G | 31.9 | Very low | 62.1 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | trans | 161.7 | 129.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E59 S60 | G57-E59 PolarHBondContact O-N 2.94Å; G57-S60 PolarHBondContact O-N 3.21Å | ||
| 58 | S | 36.3 | Very low | 63.6 | Low | 133 Ų | 133 | 78 Ų | 78 | 93% | 0.93 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 23.3 | -174.8 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 59 | E | 48.4 | Very low | 65 | Low | 184 Ų | 184 | 76.5 Ų | 76.5 | 86% | 0.86 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.9 | 13.5 | 179.5 | -74.2 | -176 | 157.1 | 0 | 0 | 113 | G57 I61 | G57-E59 PolarHBondContact O-N 2.94Å; E59-I61 PolarHBondContact O-N 2.93Å |
| 60 | S | 58.6 | Low | 66.3 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 58% | 0.58 | 46% | 0.455 | S | S | * | . | trans | -73.8 | 115.3 | -177.9 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | G57 D62 | G57-S60 PolarHBondContact O-N 3.21Å; S60-D62 PolarHBondContact O-N 2.97Å | ||
| 61 | I | 66.1 | Low | 67.1 | Low | 72 Ų | 72 | 72.6 Ų | 72.6 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | trans | -61.1 | 118.8 | 173.1 | -59 | 159 | 0 | 0 | 0 | 109.1 | V24 C28 E59 | V24-I61 HydrophobicContact CB-CD1 4.16Å; V24-I61 HydrophobicContact CG1-CB 4.25Å; V24-I61 HydrophobicContact CG1-CD1 3.63Å; V24-I61 HydrophobicContact CG1-CG1 3.61Å; V24-I61 HydrophobicContact CG1-CG2 3.59Å; V24-I61 HydrophobicContact CG2-CD1 3.58Å; V24-I61 HydrophobicContact CG2-CG1 4.19Å; C28-I61 WeakPolarHBondContact SG-CG2 3.39Å; E59-I61 PolarHBondContact O-N 2.93Å | ||
| 62 | D | 78.9 | Confident | 67.5 | Low | 99 Ų | 99 | 71.8 Ų | 71.8 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | trans | -105.8 | 104.7 | 167.4 | -173.2 | 6.6 | 0 | 0 | 0 | 110.1 | S60 C64 C255 | S60-D62 PolarHBondContact O-N 2.97Å; D62-C64 PolarHBondContact OD1-N 2.84Å; D62-C255 WeakPolarHBondContact CA-O 3.35Å | ||
| 63 | C | 84 | Confident | 67.7 | Low | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 43% | 0.43 | C | S | . | . | trans | -82.5 | -13.3 | 179.7 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | C28 R32 C255 G257 | C28-C63 WeakPolarHBondContact CA-SG 3.48Å; C28-C63 HydrophobicContact CB-CB 3.63Å; C28-C63 WeakPolarHBondContact CB-SG 3.47Å; C28-C63 VanDerWaalsContact SG-CA 3.53Å; C28-C63 WeakPolarHBondContact SG-CB 3.44Å; C28-C63 CovalentContact SG-SG 2.04Å; C28-C63 PolarHBondContact SG-SG 3.37Å; R32-C63 PolarHBondContact NE-O 3.47Å; R32-C63 PolarHBondContact NH2-O 2.97Å; C63-C255 PolarHBondContact N-O 3.46Å; C63-G257 WeakPolarHBondContact SG-CA 3.36Å | ||
| 64 | C | 83.3 | Confident | 68.7 | Low | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -97.5 | 129.9 | -170 | -77.7 | 0 | 0 | 0 | 0 | 112.2 | D62 L69 C255 | D62-C64 PolarHBondContact OD1-N 2.84Å; C64-L69 HydrophobicContact CB-CD2 4Å; C64-L69 HydrophobicContact CB-CG 3.97Å; C64-C255 HydrophobicContact CB-CB 3.66Å; C64-C255 WeakPolarHBondContact CB-SG 3.28Å; C64-C255 WeakPolarHBondContact SG-CA 3.25Å; C64-C255 WeakPolarHBondContact SG-CB 3.29Å; C64-C255 CovalentContact SG-SG 2.04Å; C64-C255 PolarHBondContact SG-SG 2.77Å | ||
| 65 | N | 82.5 | Confident | 70.4 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 43% | 0.428 | 39% | 0.39 | S | S | . | . | trans | -97.1 | 174.9 | 164.7 | 66.5 | 18.8 | 0 | 0 | 0 | 110.4 | G67 S68 L69 | N65-G67 PolarHBondContact O-N 3.31Å; N65-G67 VanDerWaalsContact O-N 3.15Å; N65-G67 PolarHBondContact OD1-N 3.4Å; N65-S68 PolarHBondContact O-N 2.97Å; N65-S68 VanDerWaalsContact O-N 3.09Å; N65-S68 PolarHBondContact OD1-N 3.48Å; N65-S68 PolarHBondContact OD1-OG 3Å; N65-S68 VanDerWaalsContact OD1-OG 3.12Å; N65-L69 PolarHBondContact O-N 2.89Å | ||
| 66 | E | 80.7 | Confident | 72.5 | Confident | 122 Ų | 122 | 56.4 Ų | 56.4 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.2 | -37.9 | 179.5 | -166.6 | -167.9 | 152.3 | 0 | 0 | 112.8 | K70 | E66-K70 WeakPolarHBondContact O-CG 3.42Å; E66-K70 PolarHBondContact O-N 3.32Å; E66-K70 WeakPolarHBondContact OE1-CE 3.2Å; E66-K70 IonicContact OE1-NZ 2.73Å; E66-K70 PolarHBondContact OE1-NZ 3.18Å |
| 67 | G | 80.4 | Confident | 75.1 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | N65 L69 K70 N71 | N65-G67 PolarHBondContact O-N 3.31Å; N65-G67 VanDerWaalsContact O-N 3.15Å; N65-G67 PolarHBondContact OD1-N 3.4Å; G67-L69 VanDerWaalsContact C-N 3.33Å; G67-L69 PolarHBondContact O-N 2.82Å; G67-K70 PolarHBondContact O-N 3.43Å; G67-N71 PolarHBondContact O-N 3.13Å |
| 68 | S | 80.8 | Confident | 77.7 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | N65 N71 I72 | N65-S68 PolarHBondContact O-N 2.97Å; N65-S68 VanDerWaalsContact O-N 3.09Å; N65-S68 PolarHBondContact OD1-N 3.48Å; N65-S68 PolarHBondContact OD1-OG 3Å; N65-S68 VanDerWaalsContact OD1-OG 3.12Å; S68-N71 PolarHBondContact O-N 2.86Å; S68-I72 WeakPolarHBondContact O-CG1 3.37Å; S68-I72 PolarHBondContact O-N 3.45Å |
| 69 | L | 83.4 | Confident | 80.2 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 175.3 | -74.3 | 171.8 | 0 | 0 | 0 | 111.9 | V48 C52 C64 N65 G67 N71 I72 V73 | V48-L69 HydrophobicContact CG1-CB 4.47Å; C52-L69 HydrophobicContact CB-CD2 4.14Å; C64-L69 HydrophobicContact CB-CD2 4Å; C64-L69 HydrophobicContact CB-CG 3.97Å; N65-L69 PolarHBondContact O-N 2.89Å; G67-L69 VanDerWaalsContact C-N 3.33Å; G67-L69 PolarHBondContact O-N 2.82Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 2.97Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 2.92Å |
| 70 | K | 83 | Confident | 82.2 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.7 | -45.7 | 174.5 | -78.2 | 175.3 | -174.5 | 168.9 | 0 | 111.5 | V48 E66 G67 V73 S74 | V48-K70 HydrophobicContact CG2-CD 4.05Å; V48-K70 HydrophobicContact CG2-CG 3.47Å; V48-K70 VanDerWaalsContact CG2-CG 3.47Å; E66-K70 WeakPolarHBondContact O-CG 3.42Å; E66-K70 PolarHBondContact O-N 3.32Å; E66-K70 WeakPolarHBondContact OE1-CE 3.2Å; E66-K70 IonicContact OE1-NZ 2.73Å; E66-K70 PolarHBondContact OE1-NZ 3.18Å; G67-K70 PolarHBondContact O-N 3.43Å; K70-V73 PolarHBondContact O-N 3.24Å; K70-S74 PolarHBondContact O-N 3.4Å; K70-S74 PolarHBondContact O-OG 3.04Å |
| 71 | N | 82.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.5 | -70.8 | -12.8 | 0 | 0 | 0 | 111.7 | I35 G67 S68 L69 V73 S74 I75 | I35-N71 HydrophobicContact CG2-CB 3.81Å; G67-N71 PolarHBondContact O-N 3.13Å; S68-N71 PolarHBondContact O-N 2.86Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 2.97Å; N71-V73 VanDerWaalsContact C-N 3.33Å; N71-V73 PolarHBondContact O-N 3.41Å; N71-S74 WeakPolarHBondContact CA-OG 3.49Å; N71-S74 PolarHBondContact O-N 2.98Å; N71-S74 PolarHBondContact O-OG 3.25Å; N71-I75 HydrophobicContact CB-CD1 4.36Å; N71-I75 WeakPolarHBondContact O-CB 3.38Å; N71-I75 VanDerWaalsContact O-CD1 3.24Å; N71-I75 WeakPolarHBondContact O-CD1 3.38Å; N71-I75 WeakPolarHBondContact O-CG1 3.5Å; N71-I75 PolarHBondContact O-N 3.43Å |
| 72 | I | 85.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 177.2 | -79.3 | 171 | 0 | 0 | 0 | 111 | I35 S68 L69 I75 G76 I247 Y251 C255 | I35-I72 HydrophobicContact CD1-CD1 3.71Å; I35-I72 HydrophobicContact CD1-CG1 4.13Å; I35-I72 HydrophobicContact CG1-CD1 4.18Å; I35-I72 HydrophobicContact CG1-CG1 4.1Å; I35-I72 HydrophobicContact CG2-CG1 4.38Å; S68-I72 WeakPolarHBondContact O-CG1 3.37Å; S68-I72 PolarHBondContact O-N 3.45Å; L69-I72 PolarHBondContact O-N 2.93Å; I72-I75 PolarHBondContact O-N 2.97Å; I72-G76 PolarHBondContact O-N 3.47Å; I72-I247 HydrophobicContact CG2-CG2 3.5Å; I72-I247 VanDerWaalsContact CG2-CG2 3.5Å; I72-Y251 VanDerWaalsContact CG2-CB 3.46Å; I72-Y251 HydrophobicContact CG2-CG 4.24Å; I72-C255 WeakPolarHBondContact CD1-SG 3.45Å |
| 73 | V | 85.4 | Confident | 85.4 | Confident | 28 Ų | 28 | 39 Ų | 39 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 179.7 | 173 | 0 | 0 | 0 | 0 | 110.5 | P45 L51 L69 K70 N71 I75 G76 A77 I247 | P45-V73 HydrophobicContact CB-CG1 4.29Å; L51-V73 HydrophobicContact CD2-CG2 4.16Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 2.92Å; K70-V73 PolarHBondContact O-N 3.24Å; N71-V73 VanDerWaalsContact C-N 3.33Å; N71-V73 PolarHBondContact O-N 3.41Å; V73-I75 PolarHBondContact O-N 3.15Å; V73-G76 PolarHBondContact O-N 3.17Å; V73-A77 WeakPolarHBondContact O-CB 3.47Å; V73-A77 PolarHBondContact O-N 3.13Å; V73-I247 HydrophobicContact CB-CD1 4.46Å; V73-I247 HydrophobicContact CG1-CD1 4.19Å |
| 74 | S | 83.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 179.5 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | K70 N71 F78 | K70-S74 PolarHBondContact O-N 3.4Å; K70-S74 PolarHBondContact O-OG 3.04Å; N71-S74 WeakPolarHBondContact CA-OG 3.49Å; N71-S74 PolarHBondContact O-N 2.98Å; N71-S74 PolarHBondContact O-OG 3.25Å; S74-F78 VanDerWaalsContact O-CB 3.24Å; S74-F78 WeakPolarHBondContact O-CB 3.44Å; S74-F78 PolarHBondContact O-N 2.63Å |
| 75 | I | 84.8 | Confident | 86.1 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -47.4 | -179.6 | -66.7 | 158.3 | 0 | 0 | 0 | 110.1 | Y38 N71 I72 V73 F78 E79 Y251 | Y38-I75 HydrophobicContact CG-CD1 4.41Å; N71-I75 HydrophobicContact CB-CD1 4.36Å; N71-I75 WeakPolarHBondContact O-CB 3.38Å; N71-I75 VanDerWaalsContact O-CD1 3.24Å; N71-I75 WeakPolarHBondContact O-CD1 3.38Å; N71-I75 WeakPolarHBondContact O-CG1 3.5Å; N71-I75 PolarHBondContact O-N 3.43Å; I72-I75 PolarHBondContact O-N 2.97Å; V73-I75 PolarHBondContact O-N 3.15Å; I75-F78 PolarHBondContact O-N 3.4Å; I75-E79 WeakPolarHBondContact O-CB 3.43Å; I75-E79 PolarHBondContact O-N 3.1Å; I75-Y251 HydrophobicContact CG2-CE1 3.86Å; I75-Y251 HydrophobicContact CG2-CE2 4.49Å; I75-Y251 WeakPolarHBondContact CG2-OH 3.42Å |
| 76 | G | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71 | -34 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | I72 V73 F80 Y251 | I72-G76 PolarHBondContact O-N 3.47Å; V73-G76 PolarHBondContact O-N 3.17Å; G76-F80 VanDerWaalsContact O-CB 3.28Å; G76-F80 WeakPolarHBondContact O-CB 3.06Å; G76-F80 PolarHBondContact O-N 2.95Å; G76-Y251 VanDerWaalsContact CA-CE2 3.42Å |
| 77 | A | 87.6 | Confident | 87.1 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 21% | 0.207 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V73 E79 F80 T81 I243 | V73-A77 WeakPolarHBondContact O-CB 3.47Å; V73-A77 PolarHBondContact O-N 3.13Å; A77-E79 PolarHBondContact O-N 3.27Å; A77-F80 PolarHBondContact O-N 3.49Å; A77-T81 WeakPolarHBondContact O-CB 3.19Å; A77-T81 PolarHBondContact O-N 3.5Å; A77-T81 PolarHBondContact O-OG1 3.48Å; A77-T81 VanDerWaalsContact O-OG1 3.07Å; A77-I243 HydrophobicContact CB-CG2 3.73Å |
| 78 | F | 86.7 | Confident | 87.8 | Confident | 119 Ų | 119 | 36.5 Ų | 36.5 | 52% | 0.522 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58 | -49.6 | 177 | 175.8 | -98.3 | 0 | 0 | 0 | 111.9 | L43 S74 I75 F80 T81 E82 | L43-F78 HydrophobicContact CD1-CB 4.33Å; S74-F78 VanDerWaalsContact O-CB 3.24Å; S74-F78 WeakPolarHBondContact O-CB 3.44Å; S74-F78 PolarHBondContact O-N 2.63Å; I75-F78 PolarHBondContact O-N 3.4Å; F78-F80 PolarHBondContact O-N 3.24Å; F78-T81 PolarHBondContact O-N 3.43Å; F78-E82 HydrophobicContact CD1-CG 4.44Å; F78-E82 HydrophobicContact CD2-CG 4.44Å; F78-E82 HydrophobicContact CE1-CG 3.93Å; F78-E82 HydrophobicContact CE2-CG 3.93Å; F78-E82 HydrophobicContact CZ-CG 3.65Å; F78-E82 PolarHBondContact O-N 2.91Å |
| 79 | E | 88.5 | Confident | 88.3 | Confident | 28 Ų | 28 | 38.9 Ų | 38.9 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 178.5 | 178.7 | 178.6 | -150.6 | 0 | 0 | 111.7 | I75 A77 T81 E82 H83 W246 R250 Y251 | I75-E79 WeakPolarHBondContact O-CB 3.43Å; I75-E79 PolarHBondContact O-N 3.1Å; A77-E79 PolarHBondContact O-N 3.27Å; E79-T81 PolarHBondContact O-N 2.92Å; E79-E82 PolarHBondContact O-N 3.44Å; E79-H83 PolarHBondContact O-CD2 2.92Å; E79-H83 PolarHBondContact O-N 3.18Å; E79-W246 HydrophobicContact CG-CZ2 4.36Å; E79-R250 VanDerWaalsContact CD-CZ 3.48Å; E79-R250 IonicContact OE1-CZ 3.7Å; E79-R250 IonicContact OE1-NH1 2.87Å; E79-R250 PolarHBondContact OE1-NH1 2.96Å; E79-R250 IonicContact OE1-NH2 2.68Å; E79-R250 PolarHBondContact OE1-NH2 3.37Å; E79-R250 IonicContact OE2-CZ 2.57Å; E79-R250 IonicContact OE2-NE 3.94Å; E79-R250 IonicContact OE2-NH1 3.89Å; E79-R250 IonicContact OE2-NH2 3.47Å; E79-R250 PolarHBondContact OE2-NH2 3.45Å; E79-Y251 WeakPolarHBondContact OE2-CE2 3.44Å; E79-Y251 PolarHBondContact OE2-OH 3.29Å |
| 80 | F | 91.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 179.4 | -176 | -89.3 | 0 | 0 | 0 | 111.3 | G76 A77 F78 E82 H83 W84 V238 C242 I243 W246 L272 F276 F415 | G76-F80 VanDerWaalsContact O-CB 3.28Å; G76-F80 WeakPolarHBondContact O-CB 3.06Å; G76-F80 PolarHBondContact O-N 2.95Å; A77-F80 PolarHBondContact O-N 3.49Å; F78-F80 PolarHBondContact O-N 3.24Å; F80-E82 VanDerWaalsContact C-N 3.34Å; F80-E82 PolarHBondContact O-N 3.43Å; F80-H83 PolarHBondContact O-N 2.73Å; F80-W84 VanDerWaalsContact O-CB 3.25Å; F80-W84 WeakPolarHBondContact O-CB 3.33Å; F80-W84 PolarHBondContact O-N 3.11Å; F80-V238 HydrophobicContact CE1-CB 3.75Å; F80-V238 HydrophobicContact CE1-CG1 3.68Å; F80-V238 HydrophobicContact CE1-CG2 3.86Å; F80-V238 HydrophobicContact CZ-CB 4.44Å; F80-V238 HydrophobicContact CZ-CG1 3.88Å; F80-C242 HydrophobicContact CZ-CB 4.03Å; F80-I243 HydrophobicContact CD1-CD1 4.44Å; F80-I243 HydrophobicContact CD1-CG1 3.58Å; F80-I243 HydrophobicContact CE1-CG1 3.9Å; F80-I243 HydrophobicContact CG-CG1 4.16Å; F80-W246 HydrophobicContact CB-CG 4.14Å; F80-W246 HydrophobicContact CD2-CB 3.58Å; F80-W246 AromaticContact CD2-CD1 3.91Å; F80-W246 AromaticContact CD2-CD2 3.98Å; F80-W246 HydrophobicContact CD2-CD2 3.98Å; F80-W246 AromaticContact CD2-CG 3.53Å; F80-W246 HydrophobicContact CD2-CG 3.53Å; F80-W246 HydrophobicContact CE2-CB 4.12Å; F80-W246 HydrophobicContact CE2-CG 4.42Å; F80-W246 HydrophobicContact CG-CB 4.41Å; F80-W246 HydrophobicContact CG-CG 4.28Å; F80-L272 HydrophobicContact CE2-CD2 4.32Å; F80-F276 AromaticContact CZ-CZ 3.84Å; F80-F276 HydrophobicContact CZ-CZ 3.84Å; F80-F415 HydrophobicContact CD2-CD1 4.44Å; F80-F415 AromaticContact CD2-CE1 3.73Å; F80-F415 HydrophobicContact CD2-CE1 3.73Å; F80-F415 AromaticContact CD2-CZ 3.9Å; F80-F415 HydrophobicContact CD2-CZ 3.9Å; F80-F415 AromaticContact CE2-CE1 3.98Å; F80-F415 HydrophobicContact CE2-CE1 3.98Å; F80-F415 HydrophobicContact CE2-CE2 4.24Å; F80-F415 AromaticContact CE2-CZ 3.82Å; F80-F415 HydrophobicContact CE2-CZ 3.82Å; F80-F415 HydrophobicContact CG-CE1 4.38Å; F80-F415 HydrophobicContact CG-CZ 4.41Å; F80-F415 HydrophobicContact CZ-CE2 4.49Å; F80-F415 HydrophobicContact CZ-CZ 4.22Å |
| 81 | T | 89.6 | Confident | 89.4 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 179.6 | -60 | 0 | 0 | 0 | 0 | 111.9 | A77 F78 E79 W84 R85 | A77-T81 WeakPolarHBondContact O-CB 3.19Å; A77-T81 PolarHBondContact O-N 3.5Å; A77-T81 PolarHBondContact O-OG1 3.48Å; A77-T81 VanDerWaalsContact O-OG1 3.07Å; F78-T81 PolarHBondContact O-N 3.43Å; E79-T81 PolarHBondContact O-N 2.92Å; T81-W84 WeakPolarHBondContact O-CB 3.41Å; T81-W84 PolarHBondContact O-N 3.23Å; T81-R85 VanDerWaalsContact O-CB 3.3Å; T81-R85 WeakPolarHBondContact O-CB 3.37Å; T81-R85 PolarHBondContact O-N 3.46Å |
| 82 | E | 89.1 | Confident | 89.9 | Confident | 58 Ų | 58 | 36.7 Ų | 36.7 | 27% | 0.271 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.2 | -47.9 | 175.9 | -80.5 | -56.4 | 120.7 | 0 | 0 | 111.9 | F78 E79 F80 W84 R85 I86 | F78-E82 HydrophobicContact CD1-CG 4.44Å; F78-E82 HydrophobicContact CD2-CG 4.44Å; F78-E82 HydrophobicContact CE1-CG 3.93Å; F78-E82 HydrophobicContact CE2-CG 3.93Å; F78-E82 HydrophobicContact CZ-CG 3.65Å; F78-E82 PolarHBondContact O-N 2.91Å; E79-E82 PolarHBondContact O-N 3.44Å; F80-E82 VanDerWaalsContact C-N 3.34Å; F80-E82 PolarHBondContact O-N 3.43Å; E82-W84 VanDerWaalsContact C-N 3.33Å; E82-W84 PolarHBondContact O-N 3.02Å; E82-R85 PolarHBondContact O-N 3.3Å; E82-R85 IonicContact OE1-NE 3.83Å; E82-R85 IonicContact OE1-NH2 2.62Å; E82-R85 IonicContact OE2-CZ 3.07Å; E82-R85 IonicContact OE2-NE 2.75Å; E82-R85 IonicContact OE2-NH2 3.88Å; E82-R85 PolarHBondContact OE2-NH2 3.41Å; E82-I86 WeakPolarHBondContact O-CB 3.34Å; E82-I86 VanDerWaalsContact O-CG1 3.25Å; E82-I86 WeakPolarHBondContact O-CG1 3.46Å; E82-I86 PolarHBondContact O-N 3.15Å |
| 83 | H | 91.6 | Very high | 90.4 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 177.3 | -82.3 | -63.9 | 0 | 0 | 0 | 112.9 | E79 F80 F87 Y414 F415 L420 | E79-H83 PolarHBondContact O-CD2 2.92Å; E79-H83 PolarHBondContact O-N 3.18Å; F80-H83 PolarHBondContact O-N 2.73Å; H83-F87 WeakPolarHBondContact O-CB 3.49Å; H83-F87 PolarHBondContact O-N 2.92Å; H83-Y414 HydrophobicContact CB-CE1 4.05Å; H83-Y414 AromaticContact ND1-CE1 3.87Å; H83-Y414 AromaticContact ND1-CZ 3.75Å; H83-Y414 PolarHBondContact ND1-OH 3.2Å; H83-F415 HydrophobicContact CB-CD1 4.38Å; H83-F415 HydrophobicContact CB-CE1 3.57Å; H83-F415 HydrophobicContact CB-CZ 3.92Å; H83-L420 WeakPolarHBondContact CE1-CD2 3.43Å; H83-L420 VanDerWaalsContact NE2-CD2 3.26Å; H83-L420 WeakPolarHBondContact NE2-CD2 3.5Å |
| 84 | W | 91.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -52.1 | 170.8 | 179.4 | -98.3 | 0 | 0 | 0 | 111 | F80 T81 E82 F87 W88 L233 V238 F276 F408 I411 F415 | F80-W84 VanDerWaalsContact O-CB 3.25Å; F80-W84 WeakPolarHBondContact O-CB 3.33Å; F80-W84 PolarHBondContact O-N 3.11Å; T81-W84 WeakPolarHBondContact O-CB 3.41Å; T81-W84 PolarHBondContact O-N 3.23Å; E82-W84 VanDerWaalsContact C-N 3.33Å; E82-W84 PolarHBondContact O-N 3.02Å; W84-F87 PolarHBondContact O-N 2.96Å; W84-W88 AromaticContact CD1-CD1 3.96Å; W84-W88 AromaticContact CD2-CD1 3.94Å; W84-W88 AromaticContact CD2-NE1 3.63Å; W84-W88 AromaticContact CE2-CD1 3.63Å; W84-W88 AromaticContact CE2-NE1 3.18Å; W84-W88 AromaticContact CE3-NE1 3.99Å; W84-W88 HydrophobicContact CH2-CZ2 4.28Å; W84-W88 AromaticContact CH2-NE1 3.58Å; W84-W88 HydrophobicContact CZ2-CZ2 4.38Å; W84-W88 AromaticContact CZ2-NE1 3.18Å; W84-W88 AromaticContact CZ3-NE1 3.93Å; W84-W88 AromaticContact NE1-CD1 3.63Å; W84-W88 AromaticContact NE1-NE1 3.66Å; W84-W88 PolarHBondContact O-N 2.82Å; W84-L233 PolarHBondContact NE1-O 3.02Å; W84-V238 HydrophobicContact CD2-CG2 3.42Å; W84-V238 VanDerWaalsContact CD2-CG2 3.42Å; W84-V238 HydrophobicContact CE3-CG2 3.69Å; W84-V238 HydrophobicContact CG-CG2 4.01Å; W84-V238 HydrophobicContact CH2-CG2 3.81Å; W84-V238 HydrophobicContact CZ2-CG2 3.53Å; W84-V238 HydrophobicContact CZ3-CG2 3.91Å; W84-F276 HydrophobicContact CE3-CE1 4.07Å; W84-F276 AromaticContact CE3-CZ 3.95Å; W84-F276 HydrophobicContact CE3-CZ 3.95Å; W84-F276 HydrophobicContact CH2-CD1 4.3Å; W84-F276 AromaticContact CH2-CE1 3.55Å; W84-F276 HydrophobicContact CH2-CE1 3.55Å; W84-F276 HydrophobicContact CH2-CZ 4.23Å; W84-F276 HydrophobicContact CZ3-CD1 4.14Å; W84-F276 AromaticContact CZ3-CE1 3.11Å; W84-F276 HydrophobicContact CZ3-CE1 3.11Å; W84-F276 AromaticContact CZ3-CZ 3.34Å; W84-F276 HydrophobicContact CZ3-CZ 3.34Å; W84-F408 HydrophobicContact CH2-CD1 4.37Å; W84-F408 AromaticContact CH2-CE1 3.84Å; W84-F408 HydrophobicContact CH2-CE1 3.84Å; W84-I411 HydrophobicContact CD2-CD1 4.15Å; W84-I411 HydrophobicContact CE3-CD1 3.36Å; W84-I411 HydrophobicContact CH2-CD1 4.4Å; W84-I411 HydrophobicContact CZ3-CD1 3.48Å; W84-I411 VanDerWaalsContact CZ3-CD1 3.48Å; W84-I411 HydrophobicContact CZ3-CG2 4.3Å; W84-F415 HydrophobicContact CB-CZ 4.37Å; W84-F415 HydrophobicContact CE3-CE2 4.23Å |
| 85 | R | 91.4 | Very high | 91.4 | Very high | 98 Ų | 98 | 41.4 Ų | 41.4 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -45.9 | -178.9 | -170.7 | -174.8 | 66.1 | 79.9 | 5.3 | 111.6 | T81 E82 F87 W88 L89 | T81-R85 VanDerWaalsContact O-CB 3.3Å; T81-R85 WeakPolarHBondContact O-CB 3.37Å; T81-R85 PolarHBondContact O-N 3.46Å; E82-R85 PolarHBondContact O-N 3.3Å; E82-R85 IonicContact OE1-NE 3.83Å; E82-R85 IonicContact OE1-NH2 2.62Å; E82-R85 IonicContact OE2-CZ 3.07Å; E82-R85 IonicContact OE2-NE 2.75Å; E82-R85 IonicContact OE2-NH2 3.88Å; E82-R85 PolarHBondContact OE2-NH2 3.41Å; R85-F87 PolarHBondContact O-N 2.93Å; R85-W88 PolarHBondContact O-N 2.88Å; R85-L89 HydrophobicContact CG-CD1 3.66Å; R85-L89 HydrophobicContact CG-CG 4.15Å; R85-L89 WeakPolarHBondContact O-CB 3.38Å; R85-L89 VanDerWaalsContact O-CG 3.28Å; R85-L89 WeakPolarHBondContact O-CG 3.49Å; R85-L89 PolarHBondContact O-N 3.12Å |
| 86 | I | 91.3 | Very high | 91.9 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 179.7 | -71.8 | 165.7 | 0 | 0 | 0 | 111 | E82 W88 L89 N90 | E82-I86 WeakPolarHBondContact O-CB 3.34Å; E82-I86 VanDerWaalsContact O-CG1 3.25Å; E82-I86 WeakPolarHBondContact O-CG1 3.46Å; E82-I86 PolarHBondContact O-N 3.15Å; I86-W88 PolarHBondContact O-N 3Å; I86-L89 PolarHBondContact O-N 3.09Å; I86-N90 WeakPolarHBondContact O-CB 3.38Å; I86-N90 PolarHBondContact O-N 2.83Å |
| 87 | F | 93.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 179.7 | 176.1 | -92.4 | 0 | 0 | 0 | 111.8 | H83 W84 R85 I91 T410 I411 Y414 | H83-F87 WeakPolarHBondContact O-CB 3.49Å; H83-F87 PolarHBondContact O-N 2.92Å; W84-F87 PolarHBondContact O-N 2.96Å; R85-F87 PolarHBondContact O-N 2.93Å; F87-I91 HydrophobicContact CD1-CD1 4.24Å; F87-I91 HydrophobicContact CE1-CD1 3.61Å; F87-I91 HydrophobicContact CZ-CD1 3.84Å; F87-T410 HydrophobicContact CE2-CG2 3.98Å; F87-T410 HydrophobicContact CZ-CG2 4.07Å; F87-I411 HydrophobicContact CB-CD1 3.88Å; F87-I411 HydrophobicContact CB-CG1 4.02Å; F87-I411 HydrophobicContact CD1-CB 3.87Å; F87-I411 HydrophobicContact CD1-CD1 3.37Å; F87-I411 HydrophobicContact CD1-CG1 3.53Å; F87-I411 HydrophobicContact CD2-CB 4.25Å; F87-I411 HydrophobicContact CD2-CD1 4.49Å; F87-I411 HydrophobicContact CD2-CG1 3.85Å; F87-I411 HydrophobicContact CE1-CB 3.64Å; F87-I411 HydrophobicContact CE1-CD1 3.98Å; F87-I411 HydrophobicContact CE1-CG1 3.87Å; F87-I411 HydrophobicContact CE2-CB 4.05Å; F87-I411 HydrophobicContact CE2-CG1 4.17Å; F87-I411 HydrophobicContact CG-CB 4.16Å; F87-I411 HydrophobicContact CG-CD1 3.66Å; F87-I411 HydrophobicContact CG-CG1 3.51Å; F87-I411 HydrophobicContact CZ-CB 3.73Å; F87-I411 HydrophobicContact CZ-CG1 4.18Å; F87-Y414 HydrophobicContact CB-CD1 4.17Å; F87-Y414 HydrophobicContact CB-CE1 4.2Å; F87-Y414 HydrophobicContact CD2-CD1 4.04Å; F87-Y414 AromaticContact CD2-CG 3.96Å; F87-Y414 HydrophobicContact CD2-CG 3.96Å; F87-Y414 HydrophobicContact CG-CD1 4.48Å |
| 88 | W | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -43.3 | -178.8 | -70.4 | 117.2 | 0 | 0 | 0 | 112.1 | W84 R85 I86 N90 I91 S92 V230 L233 P407 F408 | W84-W88 AromaticContact CD1-CD1 3.96Å; W84-W88 AromaticContact CD2-CD1 3.94Å; W84-W88 AromaticContact CD2-NE1 3.63Å; W84-W88 AromaticContact CE2-CD1 3.63Å; W84-W88 AromaticContact CE2-NE1 3.18Å; W84-W88 AromaticContact CE3-NE1 3.99Å; W84-W88 HydrophobicContact CH2-CZ2 4.28Å; W84-W88 AromaticContact CH2-NE1 3.58Å; W84-W88 HydrophobicContact CZ2-CZ2 4.38Å; W84-W88 AromaticContact CZ2-NE1 3.18Å; W84-W88 AromaticContact CZ3-NE1 3.93Å; W84-W88 AromaticContact NE1-CD1 3.63Å; W84-W88 AromaticContact NE1-NE1 3.66Å; W84-W88 PolarHBondContact O-N 2.82Å; R85-W88 PolarHBondContact O-N 2.88Å; I86-W88 PolarHBondContact O-N 3Å; W88-N90 PolarHBondContact O-N 2.8Å; W88-I91 HydrophobicContact CE3-CD1 4.24Å; W88-I91 HydrophobicContact CZ3-CD1 4.46Å; W88-I91 PolarHBondContact O-N 3.38Å; W88-S92 PolarHBondContact O-N 3.2Å; W88-V230 HydrophobicContact CB-CG1 3.91Å; W88-V230 HydrophobicContact CE3-CG1 3.87Å; W88-V230 HydrophobicContact CE3-CG2 4.25Å; W88-V230 HydrophobicContact CZ3-CG2 4.44Å; W88-V230 WeakPolarHBondContact O-CG1 3.45Å; W88-L233 HydrophobicContact CD2-CB 4.13Å; W88-L233 HydrophobicContact CE3-CB 4.32Å; W88-L233 HydrophobicContact CE3-CD1 4.3Å; W88-L233 HydrophobicContact CH2-CB 4.36Å; W88-L233 HydrophobicContact CH2-CD1 3.57Å; W88-L233 HydrophobicContact CZ2-CB 4.21Å; W88-L233 HydrophobicContact CZ2-CD1 4.18Å; W88-L233 HydrophobicContact CZ3-CB 4.42Å; W88-L233 HydrophobicContact CZ3-CD1 3.65Å; W88-P407 HydrophobicContact CH2-CB 3.69Å; W88-P407 HydrophobicContact CH2-CG 4.16Å; W88-P407 HydrophobicContact CZ3-CB 3.74Å; W88-P407 HydrophobicContact CZ3-CG 4.36Å; W88-F408 HydrophobicContact CH2-CD2 4.43Å; W88-F408 HydrophobicContact CH2-CE1 4.31Å; W88-F408 HydrophobicContact CH2-CE2 4.01Å; W88-F408 AromaticContact CH2-CZ 3.95Å; W88-F408 HydrophobicContact CH2-CZ 3.95Å; W88-F408 HydrophobicContact CZ2-CD1 4.23Å; W88-F408 AromaticContact CZ2-CE1 3.75Å; W88-F408 HydrophobicContact CZ2-CE1 3.75Å; W88-F408 HydrophobicContact CZ2-CE2 4.26Å; W88-F408 AromaticContact CZ2-CZ 3.76Å; W88-F408 HydrophobicContact CZ2-CZ 3.76Å |
| 89 | L | 91.8 | Very high | 93 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 29% | 0.293 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -32.1 | -179.7 | -72.3 | -180 | 0 | 0 | 0 | 113 | R85 I86 S92 Q93 | R85-L89 HydrophobicContact CG-CD1 3.66Å; R85-L89 HydrophobicContact CG-CG 4.15Å; R85-L89 WeakPolarHBondContact O-CB 3.38Å; R85-L89 VanDerWaalsContact O-CG 3.28Å; R85-L89 WeakPolarHBondContact O-CG 3.49Å; R85-L89 PolarHBondContact O-N 3.12Å; I86-L89 PolarHBondContact O-N 3.09Å; L89-S92 PolarHBondContact O-N 3.37Å; L89-Q93 WeakPolarHBondContact O-CB 3.31Å; L89-Q93 PolarHBondContact O-N 3.14Å |
| 90 | N | 93.9 | Very high | 93.3 | Very high | 95 Ų | 95 | 45 Ų | 45 | 51% | 0.508 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 172.4 | -176.1 | 28.7 | 0 | 0 | 0 | 111.9 | I86 W88 N94 | I86-N90 WeakPolarHBondContact O-CB 3.38Å; I86-N90 PolarHBondContact O-N 2.83Å; W88-N90 PolarHBondContact O-N 2.8Å; N90-N94 PolarHBondContact O-N 3.31Å; N90-N94 PolarHBondContact O-ND2 3.08Å; N90-N94 PolarHBondContact OD1-ND2 2.83Å |
| 91 | I | 95 | Very high | 93.4 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.4 | -60.7 | 175.2 | 0 | 0 | 0 | 110.5 | F87 W88 Q93 N94 L95 V230 W286 V404 | F87-I91 HydrophobicContact CD1-CD1 4.24Å; F87-I91 HydrophobicContact CE1-CD1 3.61Å; F87-I91 HydrophobicContact CZ-CD1 3.84Å; W88-I91 HydrophobicContact CE3-CD1 4.24Å; W88-I91 HydrophobicContact CZ3-CD1 4.46Å; W88-I91 PolarHBondContact O-N 3.38Å; I91-Q93 PolarHBondContact O-N 2.9Å; I91-N94 PolarHBondContact O-N 3.38Å; I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CG 4.43Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 3.36Å; I91-V230 HydrophobicContact CB-CG1 4.16Å; I91-V230 HydrophobicContact CB-CG2 4.5Å; I91-V230 HydrophobicContact CG2-CG1 4.4Å; I91-V230 HydrophobicContact CG2-CG2 3.88Å; I91-W286 HydrophobicContact CG2-CZ2 4.19Å; I91-V404 HydrophobicContact CD1-CB 4.18Å; I91-V404 HydrophobicContact CD1-CG1 3.89Å; I91-V404 HydrophobicContact CG1-CG1 4.1Å |
| 92 | S | 94.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 177.9 | 153.9 | 0 | 0 | 0 | 0 | 112 | W88 L89 N94 L95 R96 D227 | W88-S92 PolarHBondContact O-N 3.2Å; L89-S92 PolarHBondContact O-N 3.37Å; S92-N94 PolarHBondContact O-N 3Å; S92-L95 PolarHBondContact O-N 3.48Å; S92-R96 WeakPolarHBondContact O-CB 3.27Å; S92-R96 PolarHBondContact O-N 3.48Å; S92-D227 VanDerWaalsContact CB-OD1 3.22Å; S92-D227 WeakPolarHBondContact CB-OD1 3.45Å; S92-D227 PolarHBondContact OG-OD1 3.38Å |
| 93 | Q | 94.8 | Very high | 93.6 | Very high | 106 Ų | 106 | 44.3 Ų | 44.3 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 177.7 | -179.6 | 175.3 | -9.2 | 0 | 0 | 111.5 | L89 I91 L95 R96 E97 | L89-Q93 WeakPolarHBondContact O-CB 3.31Å; L89-Q93 PolarHBondContact O-N 3.14Å; I91-Q93 PolarHBondContact O-N 2.9Å; Q93-L95 PolarHBondContact O-N 3.29Å; Q93-R96 PolarHBondContact O-N 2.81Å; Q93-E97 HydrophobicContact CG-CG 4.31Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.38Å; Q93-E97 PolarHBondContact NE2-OE1 3.37Å; Q93-E97 WeakPolarHBondContact O-CB 3.48Å; Q93-E97 WeakPolarHBondContact O-CG 3.3Å; Q93-E97 PolarHBondContact O-N 3.13Å |
| 94 | N | 95.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 47 Ų | 47 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 177.9 | -78.3 | -60.3 | 0 | 0 | 0 | 112.4 | N90 I91 S92 R96 E97 D98 K400 Y401 | N90-N94 PolarHBondContact O-N 3.31Å; N90-N94 PolarHBondContact O-ND2 3.08Å; N90-N94 PolarHBondContact OD1-ND2 2.83Å; I91-N94 PolarHBondContact O-N 3.38Å; S92-N94 PolarHBondContact O-N 3Å; N94-R96 PolarHBondContact O-N 3.36Å; N94-E97 PolarHBondContact O-N 3.02Å; N94-D98 WeakPolarHBondContact O-CB 3.43Å; N94-D98 PolarHBondContact O-N 3.29Å; N94-K400 HydrophobicContact CB-CD 4.09Å; N94-Y401 VanDerWaalsContact C-OH 3.26Å; N94-Y401 PolarHBondContact O-OH 2.96Å |
| 95 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 178.3 | -72.8 | 165.9 | 0 | 0 | 0 | 111.7 | I91 S92 Q93 A99 L223 D227 V230 W286 Y401 | I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CG 4.43Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 3.36Å; S92-L95 PolarHBondContact O-N 3.48Å; Q93-L95 PolarHBondContact O-N 3.29Å; L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 3.26Å; L95-L223 HydrophobicContact CD2-CD2 3.63Å; L95-D227 HydrophobicContact CB-CB 4.01Å; L95-V230 HydrophobicContact CD1-CG2 4.09Å; L95-W286 HydrophobicContact CD1-CH2 3.97Å; L95-W286 HydrophobicContact CD1-CZ2 4.4Å; L95-Y401 VanDerWaalsContact CA-OH 3.3Å; L95-Y401 WeakPolarHBondContact CA-OH 3.43Å; L95-Y401 HydrophobicContact CD2-CD1 4.24Å; L95-Y401 HydrophobicContact CD2-CE1 3.4Å; L95-Y401 HydrophobicContact CG-CE1 3.8Å; L95-Y401 PolarHBondContact N-OH 2.8Å |
| 96 | R | 95.2 | Very high | 93.2 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 32% | 0.317 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 178.3 | -175.2 | -179 | -57.2 | -179.8 | 7.7 | 111.8 | S92 Q93 N94 D98 A99 H100 D227 | S92-R96 WeakPolarHBondContact O-CB 3.27Å; S92-R96 PolarHBondContact O-N 3.48Å; Q93-R96 PolarHBondContact O-N 2.81Å; N94-R96 PolarHBondContact O-N 3.36Å; R96-D98 PolarHBondContact O-N 3.14Å; R96-A99 WeakPolarHBondContact O-CB 3.08Å; R96-A99 PolarHBondContact O-N 3.12Å; R96-H100 PolarHBondContact O-CD2 3.17Å; R96-H100 PolarHBondContact O-N 2.92Å; R96-D227 IonicContact CZ-OD2 3.45Å; R96-D227 IonicContact NE-OD2 3.91Å; R96-D227 PolarHBondContact NE-OD2 3.21Å; R96-D227 IonicContact NH2-OD1 3.7Å; R96-D227 IonicContact NH2-OD2 3.47Å; R96-D227 PolarHBondContact NH2-OD2 2.92Å |
| 97 | E | 95.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 44% | 0.444 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 179.1 | -74.3 | 175.1 | -175.6 | 0 | 0 | 111.4 | Q93 N94 A99 H100 Y101 | Q93-E97 HydrophobicContact CG-CG 4.31Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.38Å; Q93-E97 PolarHBondContact NE2-OE1 3.37Å; Q93-E97 WeakPolarHBondContact O-CB 3.48Å; Q93-E97 WeakPolarHBondContact O-CG 3.3Å; Q93-E97 PolarHBondContact O-N 3.13Å; N94-E97 PolarHBondContact O-N 3.02Å; E97-A99 VanDerWaalsContact C-N 3.34Å; E97-A99 PolarHBondContact O-N 3.27Å; E97-H100 PolarHBondContact O-N 3.01Å; E97-Y101 WeakPolarHBondContact O-CB 3.19Å; E97-Y101 PolarHBondContact O-N 3.43Å |
| 98 | D | 96.1 | Very high | 93 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | 176.8 | -76 | -33.8 | 0 | 0 | 0 | 112.5 | N94 R96 L102 L223 W393 I397 K400 Y401 | N94-D98 WeakPolarHBondContact O-CB 3.43Å; N94-D98 PolarHBondContact O-N 3.29Å; R96-D98 PolarHBondContact O-N 3.14Å; D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L223 HydrophobicContact CB-CD1 3.91Å; D98-L223 HydrophobicContact CB-CD2 4.44Å; D98-W393 HydrophobicContact CB-CZ2 4.09Å; D98-W393 PolarHBondContact OD1-NE1 3.41Å; D98-I397 HydrophobicContact CB-CD1 3.92Å; D98-I397 VanDerWaalsContact CG-CD1 3.42Å; D98-I397 WeakPolarHBondContact OD2-CD1 3.46Å; D98-K400 IonicContact OD1-NZ 2.7Å; D98-K400 PolarHBondContact OD1-NZ 2.96Å; D98-K400 WeakPolarHBondContact OD2-CD 3.42Å; D98-K400 IonicContact OD2-NZ 2.78Å; D98-K400 PolarHBondContact OD2-NZ 3.45Å; D98-Y401 WeakPolarHBondContact OD2-CE2 3.47Å; D98-Y401 PolarHBondContact OD2-OH 3.31Å |
| 99 | A | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L95 R96 E97 Q103 R220 L223 L224 | L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 3.26Å; R96-A99 WeakPolarHBondContact O-CB 3.08Å; R96-A99 PolarHBondContact O-N 3.12Å; E97-A99 VanDerWaalsContact C-N 3.34Å; E97-A99 PolarHBondContact O-N 3.27Å; A99-Q103 WeakPolarHBondContact O-CB 3.32Å; A99-Q103 PolarHBondContact O-N 2.72Å; A99-R220 HydrophobicContact CB-CG 4.47Å; A99-L223 HydrophobicContact CB-CB 3.78Å; A99-L223 HydrophobicContact CB-CD1 4.45Å; A99-L224 HydrophobicContact CB-CD2 3.67Å; A99-L224 HydrophobicContact CB-CG 3.67Å |
| 100 | H | 93.5 | Very high | 92.5 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 177.5 | -74.8 | -63.8 | 0 | 0 | 0 | 111.8 | R96 E97 L102 Q103 D104 | R96-H100 PolarHBondContact O-CD2 3.17Å; R96-H100 PolarHBondContact O-N 2.92Å; E97-H100 PolarHBondContact O-N 3.01Å; H100-L102 VanDerWaalsContact C-N 3.34Å; H100-L102 PolarHBondContact O-N 3.29Å; H100-Q103 WeakPolarHBondContact O-CB 3.27Å; H100-Q103 PolarHBondContact O-N 2.56Å; H100-D104 WeakPolarHBondContact O-CB 3.43Å; H100-D104 PolarHBondContact O-N 3.28Å |
| 101 | Y | 93.7 | Very high | 92.3 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.9 | -50 | 175.3 | 176.7 | -88.3 | 0 | 0 | 0 | 111.5 | E97 Q103 D104 Y105 W393 | E97-Y101 WeakPolarHBondContact O-CB 3.19Å; E97-Y101 PolarHBondContact O-N 3.43Å; Y101-Q103 VanDerWaalsContact C-N 3.34Å; Y101-Q103 PolarHBondContact O-N 3.46Å; Y101-D104 PolarHBondContact O-N 3.16Å; Y101-Y105 VanDerWaalsContact O-CB 3.26Å; Y101-Y105 WeakPolarHBondContact O-CB 3.42Å; Y101-Y105 PolarHBondContact O-N 2.92Å; Y101-W393 HydrophobicContact CD1-CB 4.33Å; Y101-W393 AromaticContact CD1-CD1 3.32Å; Y101-W393 AromaticContact CD1-CD2 3.63Å; Y101-W393 HydrophobicContact CD1-CD2 3.63Å; Y101-W393 AromaticContact CD1-CE2 3.51Å; Y101-W393 HydrophobicContact CD1-CE3 4.5Å; Y101-W393 AromaticContact CD1-CG 3.5Å; Y101-W393 HydrophobicContact CD1-CG 3.5Å; Y101-W393 HydrophobicContact CD1-CZ2 4.27Å; Y101-W393 AromaticContact CD1-NE1 3.33Å; Y101-W393 VanDerWaalsContact CD1-NE1 3.33Å; Y101-W393 HydrophobicContact CE1-CB 3.53Å; Y101-W393 AromaticContact CE1-CD1 3.41Å; Y101-W393 VanDerWaalsContact CE1-CD1 3.41Å; Y101-W393 AromaticContact CE1-CD2 3.6Å; Y101-W393 HydrophobicContact CE1-CD2 3.6Å; Y101-W393 HydrophobicContact CE1-CE3 4.33Å; Y101-W393 AromaticContact CE1-CG 3.18Å; Y101-W393 HydrophobicContact CE1-CG 3.18Å; Y101-W393 AromaticContact CE1-NE1 3.9Å; Y101-W393 AromaticContact CG-CD1 3.96Å; Y101-W393 AromaticContact CG-NE1 3.93Å; Y101-W393 AromaticContact CZ-CG 3.99Å |
| 102 | L | 91.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.5 | -178.9 | 60.9 | 0 | 0 | 0 | 112 | D98 H100 M106 S216 L219 R220 L300 L390 W393 | D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 PolarHBondContact O-N 2.9Å; H100-L102 VanDerWaalsContact C-N 3.34Å; H100-L102 PolarHBondContact O-N 3.29Å; L102-M106 HydrophobicContact CD1-CG 4.23Å; L102-M106 WeakPolarHBondContact O-CB 3.33Å; L102-M106 WeakPolarHBondContact O-CG 3.43Å; L102-M106 PolarHBondContact O-N 2.95Å; L102-S216 VanDerWaalsContact CD2-O 3.28Å; L102-S216 WeakPolarHBondContact CD2-O 3.46Å; L102-L219 HydrophobicContact CD2-CB 3.81Å; L102-L219 HydrophobicContact CD2-CD2 3.79Å; L102-L219 HydrophobicContact CD2-CG 3.76Å; L102-R220 HydrophobicContact CD2-CB 4.15Å; L102-L300 HydrophobicContact CD1-CD1 4Å; L102-L300 HydrophobicContact CD2-CD1 4.39Å; L102-L390 HydrophobicContact CD1-CD1 4.01Å; L102-W393 HydrophobicContact CB-CH2 3.85Å; L102-W393 HydrophobicContact CB-CZ2 4.05Å; L102-W393 HydrophobicContact CD1-CH2 4.01Å; L102-W393 HydrophobicContact CD1-CZ3 3.91Å; L102-W393 HydrophobicContact CD2-CH2 3.93Å; L102-W393 HydrophobicContact CD2-CZ3 4.5Å; L102-W393 HydrophobicContact CG-CH2 4.15Å |
| 103 | Q | 90.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -52.2 | 175.6 | -177.3 | -172.4 | -80.1 | 0 | 0 | 111 | A99 H100 Y101 Y105 M106 L107 L148 | A99-Q103 WeakPolarHBondContact O-CB 3.32Å; A99-Q103 PolarHBondContact O-N 2.72Å; H100-Q103 WeakPolarHBondContact O-CB 3.27Å; H100-Q103 PolarHBondContact O-N 2.56Å; Y101-Q103 VanDerWaalsContact C-N 3.34Å; Y101-Q103 PolarHBondContact O-N 3.46Å; Q103-Y105 VanDerWaalsContact C-N 3.32Å; Q103-Y105 PolarHBondContact O-N 3.38Å; Q103-M106 PolarHBondContact O-N 3.36Å; Q103-M106 VanDerWaalsContact O-N 3.16Å; Q103-L107 HydrophobicContact CG-CD1 3.86Å; Q103-L107 HydrophobicContact CG-CG 4.33Å; Q103-L107 WeakPolarHBondContact O-CG 3.22Å; Q103-L107 PolarHBondContact O-N 3.21Å; Q103-L148 HydrophobicContact CG-CD2 3.82Å |
| 104 | D | 90.1 | Very high | 91.3 | Very high | 95 Ų | 95 | 41.5 Ų | 41.5 | 51% | 0.508 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.2 | -37.4 | -175.9 | -66.5 | -11.1 | 0 | 0 | 0 | 111 | H100 Y101 G108 | H100-D104 WeakPolarHBondContact O-CB 3.43Å; H100-D104 PolarHBondContact O-N 3.28Å; Y101-D104 PolarHBondContact O-N 3.16Å; D104-G108 WeakPolarHBondContact O-CA 3.02Å; D104-G108 PolarHBondContact O-N 3.2Å |
| 105 | Y | 89.8 | Confident | 91.1 | Very high | 19 Ų | 19 | 44 Ų | 44 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -50.1 | 170.7 | 177.2 | -86.4 | 0 | 0 | 0 | 111.7 | Y101 Q103 S109 N386 L390 | Y101-Y105 VanDerWaalsContact O-CB 3.26Å; Y101-Y105 WeakPolarHBondContact O-CB 3.42Å; Y101-Y105 PolarHBondContact O-N 2.92Å; Q103-Y105 VanDerWaalsContact C-N 3.32Å; Q103-Y105 PolarHBondContact O-N 3.38Å; Y105-S109 WeakPolarHBondContact O-CB 3.37Å; Y105-S109 PolarHBondContact O-N 3.04Å; Y105-S109 PolarHBondContact O-OG 3.45Å; Y105-N386 WeakPolarHBondContact CD2-OD1 3.39Å; Y105-N386 HydrophobicContact CE2-CB 4.11Å; Y105-N386 WeakPolarHBondContact CE2-O 3.42Å; Y105-N386 WeakPolarHBondContact CE2-OD1 3.36Å; Y105-N386 PolarHBondContact OH-O 3.46Å; Y105-L390 HydrophobicContact CD1-CD1 3.93Å; Y105-L390 HydrophobicContact CD1-CD2 4.44Å; Y105-L390 HydrophobicContact CD2-CB 4.35Å; Y105-L390 HydrophobicContact CE1-CB 4.05Å; Y105-L390 HydrophobicContact CE1-CD1 3.99Å; Y105-L390 HydrophobicContact CE1-CD2 3.72Å; Y105-L390 HydrophobicContact CE1-CG 4.13Å; Y105-L390 HydrophobicContact CE2-CB 3.68Å; Y105-L390 HydrophobicContact CG-CD1 4.25Å |
| 106 | M | 87.3 | Confident | 90.6 | Very high | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.044 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.5 | -45 | -176.6 | -70 | -65.3 | -64.3 | 0 | 0 | 111.7 | L102 Q103 S109 L110 M147 S216 F306 | L102-M106 HydrophobicContact CD1-CG 4.23Å; L102-M106 WeakPolarHBondContact O-CB 3.33Å; L102-M106 WeakPolarHBondContact O-CG 3.43Å; L102-M106 PolarHBondContact O-N 2.95Å; Q103-M106 PolarHBondContact O-N 3.36Å; Q103-M106 VanDerWaalsContact O-N 3.16Å; M106-S109 PolarHBondContact O-N 3.49Å; M106-L110 WeakPolarHBondContact O-CG 3.38Å; M106-L110 PolarHBondContact O-N 3.21Å; M106-M147 HydrophobicContact CB-CE 3.87Å; M106-M147 HydrophobicContact CE-CE 3.78Å; M106-M147 HydrophobicContact CE-SD 3.83Å; M106-M147 HydrophobicContact CG-CE 3.76Å; M106-S216 PolarHBondContact SD-OG 3.44Å; M106-F306 HydrophobicContact CE-CE1 4.21Å; M106-F306 HydrophobicContact SD-CE1 3.86Å; M106-F306 HydrophobicContact SD-CZ 4.34Å |
| 107 | L | 90.4 | Very high | 90.4 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 19% | 0.194 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.7 | -64.6 | 178.8 | 0 | 0 | 0 | 111.6 | Q103 S109 L110 K111 E144 L148 | Q103-L107 HydrophobicContact CG-CD1 3.86Å; Q103-L107 HydrophobicContact CG-CG 4.33Å; Q103-L107 WeakPolarHBondContact O-CG 3.22Å; Q103-L107 PolarHBondContact O-N 3.21Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.1Å; L107-L110 PolarHBondContact O-N 3.33Å; L107-K111 PolarHBondContact O-N 3.13Å; L107-E144 HydrophobicContact CD2-CB 3.84Å; L107-E144 HydrophobicContact CD2-CG 3.74Å; L107-L148 HydrophobicContact CD1-CD2 4.29Å |
| 108 | G | 88.3 | Confident | 90.2 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D104 K111 L112 | D104-G108 WeakPolarHBondContact O-CA 3.02Å; D104-G108 PolarHBondContact O-N 3.2Å; G108-K111 PolarHBondContact O-N 3.13Å; G108-L112 WeakPolarHBondContact O-CG 3.36Å; G108-L112 PolarHBondContact O-N 3.23Å |
| 109 | S | 85.8 | Confident | 89.9 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | Y105 M106 L107 T113 N386 | Y105-S109 WeakPolarHBondContact O-CB 3.37Å; Y105-S109 PolarHBondContact O-N 3.04Å; Y105-S109 PolarHBondContact O-OG 3.45Å; M106-S109 PolarHBondContact O-N 3.49Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.1Å; S109-T113 WeakPolarHBondContact O-CB 3.23Å; S109-T113 PolarHBondContact O-N 2.94Å; S109-T113 PolarHBondContact O-OG1 2.71Å; S109-N386 PolarHBondContact OG-ND2 2.99Å |
| 110 | L | 89.2 | Confident | 89.5 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 173 | -76.5 | 173.8 | 0 | 0 | 0 | 111.3 | M106 L107 L112 T113 L114 F140 L143 E144 M147 F213 | M106-L110 WeakPolarHBondContact O-CG 3.38Å; M106-L110 PolarHBondContact O-N 3.21Å; L107-L110 PolarHBondContact O-N 3.33Å; L110-L112 PolarHBondContact O-N 2.89Å; L110-T113 PolarHBondContact O-N 2.89Å; L110-L114 WeakPolarHBondContact O-CB 3.15Å; L110-L114 PolarHBondContact O-N 3.24Å; L110-F140 HydrophobicContact CB-CD1 4.47Å; L110-F140 HydrophobicContact CD2-CD1 4.2Å; L110-F140 HydrophobicContact CD2-CE1 4.42Å; L110-F140 WeakPolarHBondContact O-CE1 3.49Å; L110-L143 HydrophobicContact CD1-CB 4.21Å; L110-L143 HydrophobicContact CD2-CB 4.1Å; L110-L143 HydrophobicContact CD2-CD1 4.01Å; L110-E144 HydrophobicContact CB-CG 4.48Å; L110-E144 HydrophobicContact CD1-CB 4.41Å; L110-E144 HydrophobicContact CD1-CG 3.67Å; L110-M147 HydrophobicContact CD1-CG 4.35Å; L110-F213 HydrophobicContact CD1-CE1 4.26Å; L110-F213 HydrophobicContact CD2-CE1 4.05Å; L110-F213 HydrophobicContact CD2-CZ 3.83Å |
| 111 | K | 90.1 | Very high | 89.4 | Confident | 128 Ų | 128 | 39.3 Ų | 39.3 | 56% | 0.557 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.6 | -44.2 | 177.4 | -175.9 | 177.2 | 179.7 | 178.4 | 0 | 112.5 | L107 G108 T113 L114 Q115 | L107-K111 PolarHBondContact O-N 3.13Å; G108-K111 PolarHBondContact O-N 3.13Å; K111-T113 VanDerWaalsContact C-N 3.34Å; K111-L114 PolarHBondContact O-N 3.37Å; K111-Q115 WeakPolarHBondContact O-CG 3.24Å; K111-Q115 PolarHBondContact O-N 3.41Å |
| 112 | L | 86.3 | Confident | 89.3 | Confident | 75 Ų | 75 | 38.5 Ų | 38.5 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.8 | -40 | 175.7 | -71.7 | 172.9 | 0 | 0 | 0 | 111.8 | G108 L110 Q115 S116 | G108-L112 WeakPolarHBondContact O-CG 3.36Å; G108-L112 PolarHBondContact O-N 3.23Å; L110-L112 PolarHBondContact O-N 2.89Å; L112-Q115 PolarHBondContact O-N 2.94Å; L112-S116 WeakPolarHBondContact O-CB 3.48Å; L112-S116 PolarHBondContact O-N 2.89Å |
| 113 | T | 86.9 | Confident | 89 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.4 | -56 | 0 | 0 | 0 | 0 | 111.2 | S109 L110 K111 S116 F117 F140 Q308 L313 | S109-T113 WeakPolarHBondContact O-CB 3.23Å; S109-T113 PolarHBondContact O-N 2.94Å; S109-T113 PolarHBondContact O-OG1 2.71Å; L110-T113 PolarHBondContact O-N 2.89Å; K111-T113 VanDerWaalsContact C-N 3.34Å; T113-S116 PolarHBondContact O-N 3.44Å; T113-F117 VanDerWaalsContact O-CB 3.27Å; T113-F117 WeakPolarHBondContact O-CB 3.31Å; T113-F117 PolarHBondContact O-N 2.83Å; T113-F140 HydrophobicContact CG2-CE1 3.87Å; T113-F140 HydrophobicContact CG2-CZ 3.88Å; T113-Q308 PolarHBondContact OG1-NE2 3.25Å; T113-L313 HydrophobicContact CG2-CB 4.18Å; T113-L313 HydrophobicContact CG2-CD2 4.39Å |
| 114 | L | 91.7 | Very high | 88.6 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.7 | 178.5 | 61 | 0 | 0 | 0 | 111.2 | L110 K111 S116 F117 H118 V136 E137 F140 | L110-L114 WeakPolarHBondContact O-CB 3.15Å; L110-L114 PolarHBondContact O-N 3.24Å; K111-L114 PolarHBondContact O-N 3.37Å; L114-S116 PolarHBondContact O-N 3.18Å; L114-F117 WeakPolarHBondContact O-CB 3.42Å; L114-F117 PolarHBondContact O-N 3.25Å; L114-H118 WeakPolarHBondContact CD1-NE2 3.42Å; L114-H118 WeakPolarHBondContact CG-NE2 3.3Å; L114-H118 PolarHBondContact O-CD2 3.4Å; L114-H118 PolarHBondContact O-N 3.28Å; L114-V136 HydrophobicContact CD1-CG1 4.08Å; L114-E137 HydrophobicContact CD1-CG 4.39Å; L114-E137 HydrophobicContact CD2-CG 4.45Å; L114-F140 HydrophobicContact CB-CD1 3.78Å; L114-F140 HydrophobicContact CB-CD2 4.38Å; L114-F140 HydrophobicContact CB-CE1 3.92Å; L114-F140 HydrophobicContact CB-CE2 4.48Å; L114-F140 HydrophobicContact CB-CG 4.01Å; L114-F140 HydrophobicContact CB-CZ 4.25Å; L114-F140 HydrophobicContact CD1-CB 4.28Å; L114-F140 HydrophobicContact CD1-CD1 4.47Å; L114-F140 HydrophobicContact CD1-CD2 3.59Å; L114-F140 HydrophobicContact CD1-CE2 3.92Å; L114-F140 HydrophobicContact CD1-CG 3.86Å; L114-F140 HydrophobicContact CD1-CZ 4.49Å; L114-F140 HydrophobicContact CD2-CB 4.22Å; L114-F140 HydrophobicContact CD2-CG 4.44Å; L114-F140 HydrophobicContact CG-CD2 4.48Å; L114-F140 HydrophobicContact CG-CG 4.32Å |
| 115 | Q | 90.3 | Very high | 88.5 | Confident | 93 Ų | 93 | 41.4 Ų | 41.4 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 175.2 | -74.3 | 175.3 | -19.6 | 0 | 0 | 111.4 | K111 L112 F117 H118 D119 | K111-Q115 WeakPolarHBondContact O-CG 3.24Å; K111-Q115 PolarHBondContact O-N 3.41Å; L112-Q115 PolarHBondContact O-N 2.94Å; Q115-F117 VanDerWaalsContact C-N 3.26Å; Q115-F117 PolarHBondContact O-N 3.23Å; Q115-H118 WeakPolarHBondContact O-CB 3.44Å; Q115-H118 PolarHBondContact O-N 3.14Å; Q115-H118 VanDerWaalsContact O-N 3.1Å; Q115-D119 PolarHBondContact O-N 3.32Å |
| 116 | S | 85.6 | Confident | 88.5 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 177.6 | -167.3 | 0 | 0 | 0 | 0 | 112.7 | L112 T113 L114 L120 Q314 Y378 | L112-S116 WeakPolarHBondContact O-CB 3.48Å; L112-S116 PolarHBondContact O-N 2.89Å; T113-S116 PolarHBondContact O-N 3.44Å; L114-S116 PolarHBondContact O-N 3.18Å; S116-L120 PolarHBondContact O-N 3.4Å; S116-L120 VanDerWaalsContact O-N 3.09Å; S116-Q314 PolarHBondContact OG-NE2 2.71Å; S116-Y378 VanDerWaalsContact OG-CE1 3.3Å; S116-Y378 WeakPolarHBondContact OG-CE1 3.31Å |
| 117 | F | 90.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 172.4 | -170 | -70.6 | 0 | 0 | 0 | 111.2 | T113 L114 Q115 D119 L120 F121 Y129 V136 Q314 I317 | T113-F117 VanDerWaalsContact O-CB 3.27Å; T113-F117 WeakPolarHBondContact O-CB 3.31Å; T113-F117 PolarHBondContact O-N 2.83Å; L114-F117 WeakPolarHBondContact O-CB 3.42Å; L114-F117 PolarHBondContact O-N 3.25Å; Q115-F117 VanDerWaalsContact C-N 3.26Å; Q115-F117 PolarHBondContact O-N 3.23Å; F117-D119 PolarHBondContact O-N 3.13Å; F117-L120 PolarHBondContact O-N 2.8Å; F117-F121 HydrophobicContact CD1-CB 4.31Å; F117-F121 HydrophobicContact CD1-CD1 4.34Å; F117-F121 AromaticContact CD1-CD2 3.8Å; F117-F121 HydrophobicContact CD1-CD2 3.8Å; F117-F121 HydrophobicContact CD1-CE2 4.24Å; F117-F121 AromaticContact CD1-CG 3.88Å; F117-F121 HydrophobicContact CD1-CG 3.88Å; F117-F121 HydrophobicContact CD2-CD2 4.42Å; F117-F121 HydrophobicContact CD2-CE2 4.15Å; F117-F121 HydrophobicContact CE1-CB 4.12Å; F117-F121 AromaticContact CE1-CD1 3.4Å; F117-F121 HydrophobicContact CE1-CD1 3.4Å; F117-F121 VanDerWaalsContact CE1-CD1 3.4Å; F117-F121 AromaticContact CE1-CD2 3.55Å; F117-F121 HydrophobicContact CE1-CD2 3.55Å; F117-F121 AromaticContact CE1-CE1 3.61Å; F117-F121 HydrophobicContact CE1-CE1 3.61Å; F117-F121 AromaticContact CE1-CE2 3.78Å; F117-F121 HydrophobicContact CE1-CE2 3.78Å; F117-F121 AromaticContact CE1-CG 3.39Å; F117-F121 HydrophobicContact CE1-CG 3.39Å; F117-F121 AromaticContact CE1-CZ 3.82Å; F117-F121 HydrophobicContact CE1-CZ 3.82Å; F117-F121 HydrophobicContact CE2-CD2 4.19Å; F117-F121 HydrophobicContact CE2-CE1 4.22Å; F117-F121 AromaticContact CE2-CE2 3.65Å; F117-F121 HydrophobicContact CE2-CE2 3.65Å; F117-F121 AromaticContact CE2-CZ 3.68Å; F117-F121 HydrophobicContact CE2-CZ 3.68Å; F117-F121 HydrophobicContact CG-CD2 4.22Å; F117-F121 HydrophobicContact CG-CE2 4.41Å; F117-F121 AromaticContact CZ-CD1 3.66Å; F117-F121 HydrophobicContact CZ-CD1 3.66Å; F117-F121 AromaticContact CZ-CD2 3.79Å; F117-F121 HydrophobicContact CZ-CD2 3.79Å; F117-F121 AromaticContact CZ-CE1 3.31Å; F117-F121 HydrophobicContact CZ-CE1 3.31Å; F117-F121 AromaticContact CZ-CE2 3.47Å; F117-F121 HydrophobicContact CZ-CE2 3.47Å; F117-F121 VanDerWaalsContact CZ-CE2 3.47Å; F117-F121 AromaticContact CZ-CG 3.9Å; F117-F121 HydrophobicContact CZ-CG 3.9Å; F117-F121 AromaticContact CZ-CZ 3.23Å; F117-F121 HydrophobicContact CZ-CZ 3.23Å; F117-F121 WeakPolarHBondContact O-CB 3.39Å; F117-F121 WeakPolarHBondContact O-CD2 3.31Å; F117-F121 PolarHBondContact O-N 3.16Å; F117-Y129 HydrophobicContact CD1-CE2 4.22Å; F117-Y129 AromaticContact CD1-CZ 3.99Å; F117-Y129 WeakPolarHBondContact CD1-OH 2.71Å; F117-Y129 AromaticContact CE1-CE2 3.71Å; F117-Y129 HydrophobicContact CE1-CE2 3.71Å; F117-Y129 AromaticContact CE1-CZ 3.97Å; F117-V136 HydrophobicContact CD1-CG1 3.7Å; F117-V136 HydrophobicContact CE1-CB 4.23Å; F117-V136 HydrophobicContact CE1-CG1 3.62Å; F117-V136 HydrophobicContact CE1-CG2 3.77Å; F117-V136 HydrophobicContact CG-CG1 4.23Å; F117-V136 HydrophobicContact CZ-CG1 4.05Å; F117-V136 HydrophobicContact CZ-CG2 4.1Å; F117-Q314 HydrophobicContact CB-CB 3.98Å; F117-Q314 HydrophobicContact CD2-CB 3.46Å; F117-Q314 VanDerWaalsContact CD2-CB 3.46Å; F117-Q314 HydrophobicContact CE2-CB 4.16Å; F117-Q314 HydrophobicContact CG-CB 3.92Å; F117-I317 HydrophobicContact CD2-CD1 4.46Å; F117-I317 HydrophobicContact CE2-CB 3.98Å; F117-I317 HydrophobicContact CE2-CD1 3.58Å; F117-I317 HydrophobicContact CE2-CG1 4.32Å; F117-I317 HydrophobicContact CE2-CG2 4.09Å; F117-I317 HydrophobicContact CZ-CB 4.45Å; F117-I317 HydrophobicContact CZ-CD1 4.34Å; F117-I317 HydrophobicContact CZ-CG2 4.07Å |
| 118 | H | 92.3 | Very high | 88.5 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 17% | 0.167 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 176.4 | -71.3 | -73.2 | 0 | 0 | 0 | 111.7 | L114 Q115 L120 F121 V122 Y129 E137 | L114-H118 WeakPolarHBondContact CD1-NE2 3.42Å; L114-H118 WeakPolarHBondContact CG-NE2 3.3Å; L114-H118 PolarHBondContact O-CD2 3.4Å; L114-H118 PolarHBondContact O-N 3.28Å; Q115-H118 WeakPolarHBondContact O-CB 3.44Å; Q115-H118 PolarHBondContact O-N 3.14Å; Q115-H118 VanDerWaalsContact O-N 3.1Å; H118-L120 PolarHBondContact O-N 3.17Å; H118-F121 PolarHBondContact O-N 3.35Å; H118-V122 VanDerWaalsContact O-CB 3.31Å; H118-V122 WeakPolarHBondContact O-CB 3.34Å; H118-V122 VanDerWaalsContact O-CG2 3.23Å; H118-V122 WeakPolarHBondContact O-CG2 3.34Å; H118-V122 PolarHBondContact O-N 2.72Å; H118-Y129 HydrophobicContact CB-CE1 4.31Å; H118-Y129 PolarHBondContact CE1-OH 3.16Å; H118-Y129 VanDerWaalsContact CE1-OH 3.27Å; H118-Y129 AromaticContact ND1-CE1 3.54Å; H118-Y129 AromaticContact ND1-CZ 3.51Å; H118-Y129 PolarHBondContact ND1-OH 3.37Å; H118-E137 IonicContact CE1-OE1 3.52Å; H118-E137 IonicContact NE2-OE1 3.59Å |
| 119 | D | 88.7 | Confident | 88.6 | Confident | 102 Ų | 102 | 48.7 Ų | 48.7 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | -179.3 | -67.6 | -22.9 | 0 | 0 | 0 | 111.3 | Q115 F117 N123 | Q115-D119 PolarHBondContact O-N 3.32Å; F117-D119 PolarHBondContact O-N 3.13Å; D119-N123 WeakPolarHBondContact O-CB 3.48Å; D119-N123 PolarHBondContact O-N 3.27Å; D119-N123 PolarHBondContact O-ND2 3.4Å |
| 120 | L | 87.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -52.5 | 175.9 | -165.8 | 158.7 | 0 | 0 | 0 | 110.7 | S116 F117 H118 N123 S124 Q314 I315 V374 Y378 | S116-L120 PolarHBondContact O-N 3.4Å; S116-L120 VanDerWaalsContact O-N 3.09Å; F117-L120 PolarHBondContact O-N 2.8Å; H118-L120 PolarHBondContact O-N 3.17Å; L120-N123 PolarHBondContact O-N 3.13Å; L120-S124 WeakPolarHBondContact O-CB 3.48Å; L120-S124 PolarHBondContact O-N 2.97Å; L120-S124 PolarHBondContact O-OG 3.13Å; L120-S124 VanDerWaalsContact O-OG 3.09Å; L120-Q314 HydrophobicContact CB-CB 4.49Å; L120-Q314 HydrophobicContact CB-CG 4.13Å; L120-Q314 HydrophobicContact CD1-CB 4.19Å; L120-Q314 HydrophobicContact CD1-CG 3.5Å; L120-Q314 HydrophobicContact CG-CG 4.39Å; L120-I315 HydrophobicContact CD1-CG1 4.14Å; L120-V374 HydrophobicContact CD1-CG1 4.19Å; L120-Y378 WeakPolarHBondContact CB-OH 3.3Å; L120-Y378 HydrophobicContact CD1-CE2 4.11Å; L120-Y378 WeakPolarHBondContact CD1-OH 3.46Å |
| 121 | F | 90.8 | Very high | 88.8 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74 | -31.3 | -169.7 | -84.7 | -123 | 0 | 0 | 0 | 113.4 | F117 H118 N123 S124 Y125 Y129 Q314 I317 I321 | F117-F121 HydrophobicContact CD1-CB 4.31Å; F117-F121 HydrophobicContact CD1-CD1 4.34Å; F117-F121 AromaticContact CD1-CD2 3.8Å; F117-F121 HydrophobicContact CD1-CD2 3.8Å; F117-F121 HydrophobicContact CD1-CE2 4.24Å; F117-F121 AromaticContact CD1-CG 3.88Å; F117-F121 HydrophobicContact CD1-CG 3.88Å; F117-F121 HydrophobicContact CD2-CD2 4.42Å; F117-F121 HydrophobicContact CD2-CE2 4.15Å; F117-F121 HydrophobicContact CE1-CB 4.12Å; F117-F121 AromaticContact CE1-CD1 3.4Å; F117-F121 HydrophobicContact CE1-CD1 3.4Å; F117-F121 VanDerWaalsContact CE1-CD1 3.4Å; F117-F121 AromaticContact CE1-CD2 3.55Å; F117-F121 HydrophobicContact CE1-CD2 3.55Å; F117-F121 AromaticContact CE1-CE1 3.61Å; F117-F121 HydrophobicContact CE1-CE1 3.61Å; F117-F121 AromaticContact CE1-CE2 3.78Å; F117-F121 HydrophobicContact CE1-CE2 3.78Å; F117-F121 AromaticContact CE1-CG 3.39Å; F117-F121 HydrophobicContact CE1-CG 3.39Å; F117-F121 AromaticContact CE1-CZ 3.82Å; F117-F121 HydrophobicContact CE1-CZ 3.82Å; F117-F121 HydrophobicContact CE2-CD2 4.19Å; F117-F121 HydrophobicContact CE2-CE1 4.22Å; F117-F121 AromaticContact CE2-CE2 3.65Å; F117-F121 HydrophobicContact CE2-CE2 3.65Å; F117-F121 AromaticContact CE2-CZ 3.68Å; F117-F121 HydrophobicContact CE2-CZ 3.68Å; F117-F121 HydrophobicContact CG-CD2 4.22Å; F117-F121 HydrophobicContact CG-CE2 4.41Å; F117-F121 AromaticContact CZ-CD1 3.66Å; F117-F121 HydrophobicContact CZ-CD1 3.66Å; F117-F121 AromaticContact CZ-CD2 3.79Å; F117-F121 HydrophobicContact CZ-CD2 3.79Å; F117-F121 AromaticContact CZ-CE1 3.31Å; F117-F121 HydrophobicContact CZ-CE1 3.31Å; F117-F121 AromaticContact CZ-CE2 3.47Å; F117-F121 HydrophobicContact CZ-CE2 3.47Å; F117-F121 VanDerWaalsContact CZ-CE2 3.47Å; F117-F121 AromaticContact CZ-CG 3.9Å; F117-F121 HydrophobicContact CZ-CG 3.9Å; F117-F121 AromaticContact CZ-CZ 3.23Å; F117-F121 HydrophobicContact CZ-CZ 3.23Å; F117-F121 WeakPolarHBondContact O-CB 3.39Å; F117-F121 WeakPolarHBondContact O-CD2 3.31Å; F117-F121 PolarHBondContact O-N 3.16Å; H118-F121 PolarHBondContact O-N 3.35Å; F121-N123 VanDerWaalsContact C-N 3.33Å; F121-S124 PolarHBondContact O-N 3.22Å; F121-Y125 HydrophobicContact CB-CD2 4.18Å; F121-Y125 AromaticContact CD1-CD2 3.63Å; F121-Y125 HydrophobicContact CD1-CD2 3.63Å; F121-Y125 AromaticContact CD1-CE2 3.7Å; F121-Y125 HydrophobicContact CD1-CE2 3.7Å; F121-Y125 HydrophobicContact CE1-CD2 4.14Å; F121-Y125 AromaticContact CE1-CE2 3.73Å; F121-Y125 HydrophobicContact CE1-CE2 3.73Å; F121-Y125 AromaticContact CG-CD2 3.97Å; F121-Y125 HydrophobicContact CG-CD2 3.97Å; F121-Y125 HydrophobicContact CG-CE2 4.13Å; F121-Y125 HydrophobicContact CZ-CE2 4.16Å; F121-Y125 WeakPolarHBondContact O-CA 3.2Å; F121-Y125 WeakPolarHBondContact O-CB 3.38Å; F121-Y125 PolarHBondContact O-N 3.39Å; F121-Y129 HydrophobicContact CB-CD1 3.58Å; F121-Y129 HydrophobicContact CB-CD2 3.67Å; F121-Y129 HydrophobicContact CB-CE1 3.67Å; F121-Y129 HydrophobicContact CB-CE2 3.77Å; F121-Y129 HydrophobicContact CB-CG 3.56Å; F121-Y129 AromaticContact CD1-CD2 3.77Å; F121-Y129 HydrophobicContact CD1-CD2 3.77Å; F121-Y129 AromaticContact CD1-CE2 3.96Å; F121-Y129 HydrophobicContact CD1-CE2 3.96Å; F121-Y129 HydrophobicContact CD1-CG 4.39Å; F121-Y129 HydrophobicContact CG-CD2 4.16Å; F121-Y129 HydrophobicContact CG-CE2 4.16Å; F121-Y129 HydrophobicContact CG-CG 4.49Å; F121-Q314 HydrophobicContact CD2-CB 4.43Å; F121-Q314 HydrophobicContact CE2-CB 4.04Å; F121-Q314 WeakPolarHBondContact CE2-O 3.42Å; F121-I317 HydrophobicContact CE1-CG2 4.12Å; F121-I317 HydrophobicContact CZ-CB 4.03Å; F121-I317 HydrophobicContact CZ-CG2 3.7Å; F121-I321 HydrophobicContact CE1-CD1 3.63Å; F121-I321 HydrophobicContact CZ-CD1 4.18Å |
| 122 | V | 90.5 | Very high | 88.8 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 170.3 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | H118 G126 Y129 | H118-V122 VanDerWaalsContact O-CB 3.31Å; H118-V122 WeakPolarHBondContact O-CB 3.34Å; H118-V122 VanDerWaalsContact O-CG2 3.23Å; H118-V122 WeakPolarHBondContact O-CG2 3.34Å; H118-V122 PolarHBondContact O-N 2.72Å; V122-G126 WeakPolarHBondContact O-CA 3.25Å; V122-G126 PolarHBondContact O-N 2.96Å; V122-Y129 HydrophobicContact CB-CD1 4.49Å; V122-Y129 HydrophobicContact CG2-CD1 3.65Å; V122-Y129 HydrophobicContact CG2-CE1 3.88Å |
| 123 | N | 86.9 | Confident | 89.2 | Confident | 138 Ų | 138 | 49.5 Ų | 49.5 | 74% | 0.738 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | 178 | -71.1 | -24.5 | 0 | 0 | 0 | 112.5 | D119 L120 F121 | D119-N123 WeakPolarHBondContact O-CB 3.48Å; D119-N123 PolarHBondContact O-N 3.27Å; D119-N123 PolarHBondContact O-ND2 3.4Å; L120-N123 PolarHBondContact O-N 3.13Å; F121-N123 VanDerWaalsContact C-N 3.33Å |
| 124 | S | 82.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -86.1 | -34.9 | -176.4 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | L120 F121 V367 V369 | L120-S124 WeakPolarHBondContact O-CB 3.48Å; L120-S124 PolarHBondContact O-N 2.97Å; L120-S124 PolarHBondContact O-OG 3.13Å; L120-S124 VanDerWaalsContact O-OG 3.09Å; F121-S124 PolarHBondContact O-N 3.22Å; S124-V367 WeakPolarHBondContact O-CB 3.36Å; S124-V367 WeakPolarHBondContact O-CG1 3.43Å; S124-V367 WeakPolarHBondContact O-CG2 3.46Å; S124-V369 VanDerWaalsContact OG-CG2 3.27Å; S124-V369 WeakPolarHBondContact OG-CG2 3.45Å |
| 125 | Y | 86.9 | Confident | 89.7 | Confident | 38 Ų | 38 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -122.2 | -6.6 | -172.8 | -57.4 | -73.8 | 0 | 0 | 0 | 113.4 | F121 Y127 N128 I321 | F121-Y125 HydrophobicContact CB-CD2 4.18Å; F121-Y125 AromaticContact CD1-CD2 3.63Å; F121-Y125 HydrophobicContact CD1-CD2 3.63Å; F121-Y125 AromaticContact CD1-CE2 3.7Å; F121-Y125 HydrophobicContact CD1-CE2 3.7Å; F121-Y125 HydrophobicContact CE1-CD2 4.14Å; F121-Y125 AromaticContact CE1-CE2 3.73Å; F121-Y125 HydrophobicContact CE1-CE2 3.73Å; F121-Y125 AromaticContact CG-CD2 3.97Å; F121-Y125 HydrophobicContact CG-CD2 3.97Å; F121-Y125 HydrophobicContact CG-CE2 4.13Å; F121-Y125 HydrophobicContact CZ-CE2 4.16Å; F121-Y125 WeakPolarHBondContact O-CA 3.2Å; F121-Y125 WeakPolarHBondContact O-CB 3.38Å; F121-Y125 PolarHBondContact O-N 3.39Å; Y125-Y127 PolarHBondContact O-N 3.25Å; Y125-N128 PolarHBondContact O-N 3.36Å; Y125-I321 HydrophobicContact CE1-CG2 3.89Å; Y125-I321 HydrophobicContact CE2-CD1 4.35Å; Y125-I321 WeakPolarHBondContact OH-CG2 3.1Å |
| 126 | G | 89.7 | Confident | 89.9 | Confident | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -131.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V122 N128 Y129 D130 | V122-G126 WeakPolarHBondContact O-CA 3.25Å; V122-G126 PolarHBondContact O-N 2.96Å; G126-N128 PolarHBondContact O-N 3.06Å; G126-Y129 PolarHBondContact O-N 3.15Å; G126-D130 PolarHBondContact O-N 3.37Å |
| 127 | Y | 89.4 | Confident | 90.4 | Very high | 151 Ų | 151 | 50.4 Ų | 50.4 | 59% | 0.592 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.4 | -33.8 | -177.4 | -179.8 | -103.8 | 0 | 0 | 0 | 113.2 | Y125 Y129 D130 Q131 | Y125-Y127 PolarHBondContact O-N 3.25Å; Y127-Y129 VanDerWaalsContact C-N 3.29Å; Y127-Y129 PolarHBondContact O-N 2.92Å; Y127-D130 PolarHBondContact O-N 3.3Å; Y127-Q131 HydrophobicContact CD1-CG 4.13Å; Y127-Q131 HydrophobicContact CD2-CG 4.43Å; Y127-Q131 HydrophobicContact CE1-CG 3.63Å; Y127-Q131 HydrophobicContact CE2-CG 3.96Å; Y127-Q131 VanDerWaalsContact CE2-NE2 3.25Å; Y127-Q131 VanDerWaalsContact CZ-NE2 3.35Å; Y127-Q131 WeakPolarHBondContact O-CG 3.45Å; Y127-Q131 PolarHBondContact O-N 3.48Å; Y127-Q131 VanDerWaalsContact O-N 3.1Å; Y127-Q131 VanDerWaalsContact OH-CD 3.28Å; Y127-Q131 PolarHBondContact OH-NE2 2.95Å |
| 128 | N | 87.9 | Confident | 90.7 | Very high | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | -179.6 | -68.7 | -35.5 | 0 | 0 | 0 | 112.1 | Y125 G126 N132 V172 | Y125-N128 PolarHBondContact O-N 3.36Å; G126-N128 PolarHBondContact O-N 3.06Å; N128-N132 PolarHBondContact O-ND2 2.74Å; N128-V172 HydrophobicContact CB-CG1 3.72Å |
| 129 | Y | 91.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.6 | -44.1 | 173.6 | 171.9 | -111.9 | 0 | 0 | 0 | 112.1 | F117 H118 F121 V122 G126 Y127 Q131 N132 K133 V136 | F117-Y129 HydrophobicContact CD1-CE2 4.22Å; F117-Y129 AromaticContact CD1-CZ 3.99Å; F117-Y129 WeakPolarHBondContact CD1-OH 2.71Å; F117-Y129 AromaticContact CE1-CE2 3.71Å; F117-Y129 HydrophobicContact CE1-CE2 3.71Å; F117-Y129 AromaticContact CE1-CZ 3.97Å; H118-Y129 HydrophobicContact CB-CE1 4.31Å; H118-Y129 PolarHBondContact CE1-OH 3.16Å; H118-Y129 VanDerWaalsContact CE1-OH 3.27Å; H118-Y129 AromaticContact ND1-CE1 3.54Å; H118-Y129 AromaticContact ND1-CZ 3.51Å; H118-Y129 PolarHBondContact ND1-OH 3.37Å; F121-Y129 HydrophobicContact CB-CD1 3.58Å; F121-Y129 HydrophobicContact CB-CD2 3.67Å; F121-Y129 HydrophobicContact CB-CE1 3.67Å; F121-Y129 HydrophobicContact CB-CE2 3.77Å; F121-Y129 HydrophobicContact CB-CG 3.56Å; F121-Y129 AromaticContact CD1-CD2 3.77Å; F121-Y129 HydrophobicContact CD1-CD2 3.77Å; F121-Y129 AromaticContact CD1-CE2 3.96Å; F121-Y129 HydrophobicContact CD1-CE2 3.96Å; F121-Y129 HydrophobicContact CD1-CG 4.39Å; F121-Y129 HydrophobicContact CG-CD2 4.16Å; F121-Y129 HydrophobicContact CG-CE2 4.16Å; F121-Y129 HydrophobicContact CG-CG 4.49Å; V122-Y129 HydrophobicContact CB-CD1 4.49Å; V122-Y129 HydrophobicContact CG2-CD1 3.65Å; V122-Y129 HydrophobicContact CG2-CE1 3.88Å; G126-Y129 PolarHBondContact O-N 3.15Å; Y127-Y129 VanDerWaalsContact C-N 3.29Å; Y127-Y129 PolarHBondContact O-N 2.92Å; Y129-Q131 PolarHBondContact O-N 3.49Å; Y129-N132 CarbonylContact O-C 3.56Å; Y129-N132 WeakPolarHBondContact O-CA 3.46Å; Y129-N132 PolarHBondContact O-N 2.92Å; Y129-K133 HydrophobicContact CE1-CB 4.41Å; Y129-K133 PolarHBondContact O-N 2.64Å; Y129-V136 HydrophobicContact CE2-CB 4.48Å; Y129-V136 HydrophobicContact CE2-CG2 3.93Å |
| 130 | D | 90 | Very high | 91.1 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.7 | -36 | -179.2 | -178.5 | 60.9 | 0 | 0 | 0 | 112.3 | G126 Y127 N132 K133 | G126-D130 PolarHBondContact O-N 3.37Å; Y127-D130 PolarHBondContact O-N 3.3Å; D130-N132 PolarHBondContact O-N 2.88Å; D130-K133 WeakPolarHBondContact O-CG 3.36Å; D130-K133 IonicContact OD1-NZ 3.47Å; D130-K133 PolarHBondContact OD1-NZ 3.35Å |
| 131 | Q | 88.9 | Confident | 91.4 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20 | 173.4 | -67.8 | -59.3 | -61.1 | 0 | 0 | 114.5 | Y127 Y129 | Y127-Q131 HydrophobicContact CD1-CG 4.13Å; Y127-Q131 HydrophobicContact CD2-CG 4.43Å; Y127-Q131 HydrophobicContact CE1-CG 3.63Å; Y127-Q131 HydrophobicContact CE2-CG 3.96Å; Y127-Q131 VanDerWaalsContact CE2-NE2 3.25Å; Y127-Q131 VanDerWaalsContact CZ-NE2 3.35Å; Y127-Q131 WeakPolarHBondContact O-CG 3.45Å; Y127-Q131 PolarHBondContact O-N 3.48Å; Y127-Q131 VanDerWaalsContact O-N 3.1Å; Y127-Q131 VanDerWaalsContact OH-CD 3.28Å; Y127-Q131 PolarHBondContact OH-NE2 2.95Å; Y129-Q131 PolarHBondContact O-N 3.49Å |
| 132 | N | 90.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 7.2 | -177 | -70 | -83.8 | 0 | 0 | 0 | 112.8 | N128 Y129 D130 D134 F135 | N128-N132 PolarHBondContact O-ND2 2.74Å; Y129-N132 CarbonylContact O-C 3.56Å; Y129-N132 WeakPolarHBondContact O-CA 3.46Å; Y129-N132 PolarHBondContact O-N 2.92Å; D130-N132 PolarHBondContact O-N 2.88Å; N132-D134 PolarHBondContact O-N 3.4Å; N132-F135 VanDerWaalsContact O-CB 3.3Å; N132-F135 WeakPolarHBondContact O-CB 3.46Å; N132-F135 PolarHBondContact O-N 3.11Å; N132-F135 VanDerWaalsContact O-N 3.13Å |
| 133 | K | 94 | Very high | 91.7 | Very high | 67 Ų | 67 | 49 Ų | 49 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -35.5 | -174.8 | 72.7 | -172.4 | 171.6 | -161.5 | 0 | 112.8 | Y129 D130 F135 V136 E137 | Y129-K133 HydrophobicContact CE1-CB 4.41Å; Y129-K133 PolarHBondContact O-N 2.64Å; D130-K133 WeakPolarHBondContact O-CG 3.36Å; D130-K133 IonicContact OD1-NZ 3.47Å; D130-K133 PolarHBondContact OD1-NZ 3.35Å; K133-F135 PolarHBondContact O-N 3.45Å; K133-F135 VanDerWaalsContact O-N 3.13Å; K133-V136 PolarHBondContact O-N 3.08Å; K133-E137 WeakPolarHBondContact O-CG 3.32Å; K133-E137 PolarHBondContact O-N 3.37Å |
| 134 | D | 95.1 | Very high | 91.9 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.2 | -30.4 | -179.3 | -63.6 | -3.8 | 0 | 0 | 0 | 112 | N132 A138 | N132-D134 PolarHBondContact O-N 3.4Å; D134-A138 VanDerWaalsContact O-CB 3.27Å; D134-A138 WeakPolarHBondContact O-CB 3.49Å; D134-A138 PolarHBondContact O-N 2.82Å |
| 135 | F | 94.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 174.7 | 168.6 | -101.7 | 0 | 0 | 0 | 112 | N132 K133 A138 F139 F161 G164 L165 R168 F547 | N132-F135 VanDerWaalsContact O-CB 3.3Å; N132-F135 WeakPolarHBondContact O-CB 3.46Å; N132-F135 PolarHBondContact O-N 3.11Å; N132-F135 VanDerWaalsContact O-N 3.13Å; K133-F135 PolarHBondContact O-N 3.45Å; K133-F135 VanDerWaalsContact O-N 3.13Å; F135-A138 WeakPolarHBondContact O-CB 3.27Å; F135-A138 PolarHBondContact O-N 2.92Å; F135-F139 PolarHBondContact O-N 3.29Å; F135-F139 VanDerWaalsContact O-N 3.13Å; F135-F161 HydrophobicContact CD1-CE2 4.27Å; F135-F161 AromaticContact CE1-CD2 3.74Å; F135-F161 HydrophobicContact CE1-CD2 3.74Å; F135-F161 AromaticContact CE1-CE2 3.46Å; F135-F161 HydrophobicContact CE1-CE2 3.46Å; F135-F161 VanDerWaalsContact CE1-CE2 3.46Å; F135-F161 HydrophobicContact CE1-CZ 4.34Å; F135-F161 AromaticContact CZ-CD2 3.73Å; F135-F161 HydrophobicContact CZ-CD2 3.73Å; F135-F161 AromaticContact CZ-CE2 3.97Å; F135-F161 HydrophobicContact CZ-CE2 3.97Å; F135-F161 WeakPolarHBondContact CZ-O 3.42Å; F135-G164 VanDerWaalsContact CZ-C 3.47Å; F135-L165 HydrophobicContact CE1-CB 4.04Å; F135-L165 HydrophobicContact CE1-CD1 4.13Å; F135-L165 HydrophobicContact CZ-CB 4.16Å; F135-L165 VanDerWaalsContact CZ-N 3.33Å; F135-R168 VanDerWaalsContact CD2-CD 3.48Å; F135-R168 VanDerWaalsContact CD2-NE 3.32Å; F135-R168 VanDerWaalsContact CD2-NH1 3.34Å; F135-F547 AromaticContact CD2-CD1 3.42Å; F135-F547 HydrophobicContact CD2-CD1 3.42Å; F135-F547 VanDerWaalsContact CD2-CD1 3.42Å; F135-F547 AromaticContact CD2-CE1 3.19Å; F135-F547 HydrophobicContact CD2-CE1 3.19Å; F135-F547 HydrophobicContact CD2-CE2 4.42Å; F135-F547 HydrophobicContact CD2-CG 4.15Å; F135-F547 AromaticContact CD2-CZ 3.76Å; F135-F547 HydrophobicContact CD2-CZ 3.76Å; F135-F547 AromaticContact CE2-CD1 3.64Å; F135-F547 HydrophobicContact CE2-CD1 3.64Å; F135-F547 HydrophobicContact CE2-CD2 4Å; F135-F547 AromaticContact CE2-CE1 3.28Å; F135-F547 HydrophobicContact CE2-CE1 3.28Å; F135-F547 AromaticContact CE2-CE2 3.68Å; F135-F547 HydrophobicContact CE2-CE2 3.68Å; F135-F547 AromaticContact CE2-CG 3.99Å; F135-F547 HydrophobicContact CE2-CG 3.99Å; F135-F547 AromaticContact CE2-CZ 3.31Å; F135-F547 HydrophobicContact CE2-CZ 3.31Å; F135-F547 HydrophobicContact CG-CE1 4.33Å; F135-F547 HydrophobicContact CZ-CE1 4.46Å; F135-F547 HydrophobicContact CZ-CZ 4.22Å |
| 136 | V | 93.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -44.7 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L114 F117 Y129 K133 A138 F139 F140 | L114-V136 HydrophobicContact CD1-CG1 4.08Å; F117-V136 HydrophobicContact CD1-CG1 3.7Å; F117-V136 HydrophobicContact CE1-CB 4.23Å; F117-V136 HydrophobicContact CE1-CG1 3.62Å; F117-V136 HydrophobicContact CE1-CG2 3.77Å; F117-V136 HydrophobicContact CG-CG1 4.23Å; F117-V136 HydrophobicContact CZ-CG1 4.05Å; F117-V136 HydrophobicContact CZ-CG2 4.1Å; Y129-V136 HydrophobicContact CE2-CB 4.48Å; Y129-V136 HydrophobicContact CE2-CG2 3.93Å; K133-V136 PolarHBondContact O-N 3.08Å; V136-A138 PolarHBondContact O-N 2.96Å; V136-F139 WeakPolarHBondContact O-CB 3.49Å; V136-F139 PolarHBondContact O-N 3.3Å; V136-F139 VanDerWaalsContact O-N 3.1Å; V136-F140 HydrophobicContact CG1-CD2 3.92Å; V136-F140 HydrophobicContact CG1-CE2 3.84Å; V136-F140 WeakPolarHBondContact O-CD2 3.43Å; V136-F140 PolarHBondContact O-N 2.97Å |
| 137 | E | 95.9 | Very high | 92.4 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -37.2 | 174.9 | -64.4 | 179.5 | -175.8 | 0 | 0 | 112 | L114 H118 K133 F140 R141 | L114-E137 HydrophobicContact CD1-CG 4.39Å; L114-E137 HydrophobicContact CD2-CG 4.45Å; H118-E137 IonicContact CE1-OE1 3.52Å; H118-E137 IonicContact NE2-OE1 3.59Å; K133-E137 WeakPolarHBondContact O-CG 3.32Å; K133-E137 PolarHBondContact O-N 3.37Å; E137-F140 PolarHBondContact O-N 3.34Å; E137-R141 WeakPolarHBondContact O-CG 3.47Å; E137-R141 PolarHBondContact O-N 2.92Å; E137-R141 IonicContact OE2-NH1 2.89Å; E137-R141 PolarHBondContact OE2-NH1 2.99Å |
| 138 | A | 96.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D134 F135 V136 F140 R141 E142 F547 | D134-A138 VanDerWaalsContact O-CB 3.27Å; D134-A138 WeakPolarHBondContact O-CB 3.49Å; D134-A138 PolarHBondContact O-N 2.82Å; F135-A138 WeakPolarHBondContact O-CB 3.27Å; F135-A138 PolarHBondContact O-N 2.92Å; V136-A138 PolarHBondContact O-N 2.96Å; A138-F140 PolarHBondContact O-N 3.03Å; A138-R141 VanDerWaalsContact CA-NH2 3.3Å; A138-R141 PolarHBondContact O-N 3.18Å; A138-E142 WeakPolarHBondContact O-CG 3.2Å; A138-E142 PolarHBondContact O-N 3.4Å; A138-F547 HydrophobicContact CB-CE1 4.35Å |
| 139 | F | 95.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.4 | 173.2 | -116.4 | 0 | 0 | 0 | 112.1 | F135 V136 R141 E142 L143 F161 L313 | F135-F139 PolarHBondContact O-N 3.29Å; F135-F139 VanDerWaalsContact O-N 3.13Å; V136-F139 WeakPolarHBondContact O-CB 3.49Å; V136-F139 PolarHBondContact O-N 3.3Å; V136-F139 VanDerWaalsContact O-N 3.1Å; F139-R141 PolarHBondContact O-N 3.33Å; F139-E142 WeakPolarHBondContact O-CB 3.46Å; F139-E142 PolarHBondContact O-N 3.42Å; F139-E142 VanDerWaalsContact O-N 3.13Å; F139-L143 HydrophobicContact CD1-CD1 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.67Å; F139-L143 HydrophobicContact CE1-CG 4.28Å; F139-L143 HydrophobicContact CE2-CD1 4.43Å; F139-L143 HydrophobicContact CE2-CD2 4.09Å; F139-L143 HydrophobicContact CE2-CG 4.18Å; F139-L143 HydrophobicContact CZ-CD1 3.81Å; F139-L143 HydrophobicContact CZ-CD2 4.01Å; F139-L143 HydrophobicContact CZ-CG 4.05Å; F139-L143 WeakPolarHBondContact O-CG 3.41Å; F139-L143 PolarHBondContact O-N 3.49Å; F139-F161 HydrophobicContact CB-CD2 3.61Å; F139-F161 HydrophobicContact CB-CE2 4.09Å; F139-F161 HydrophobicContact CB-CG 4.43Å; F139-F161 AromaticContact CD1-CD2 3.83Å; F139-F161 HydrophobicContact CD1-CD2 3.83Å; F139-F161 HydrophobicContact CD1-CE2 4.01Å; F139-F161 HydrophobicContact CD1-CG 4.15Å; F139-F161 HydrophobicContact CD2-CB 3.51Å; F139-F161 AromaticContact CD2-CD2 3.81Å; F139-F161 HydrophobicContact CD2-CD2 3.81Å; F139-F161 AromaticContact CD2-CG 3.76Å; F139-F161 HydrophobicContact CD2-CG 3.76Å; F139-F161 HydrophobicContact CE1-CD1 4.48Å; F139-F161 HydrophobicContact CE1-CD2 4.43Å; F139-F161 HydrophobicContact CE1-CG 4.33Å; F139-F161 HydrophobicContact CE2-CB 3.63Å; F139-F161 HydrophobicContact CE2-CD2 4.41Å; F139-F161 AromaticContact CE2-CG 3.95Å; F139-F161 HydrophobicContact CE2-CG 3.95Å; F139-F161 HydrophobicContact CG-CB 4.11Å; F139-F161 AromaticContact CG-CD2 3.46Å; F139-F161 HydrophobicContact CG-CD2 3.46Å; F139-F161 VanDerWaalsContact CG-CD2 3.46Å; F139-F161 HydrophobicContact CG-CE2 4.04Å; F139-F161 AromaticContact CG-CG 3.85Å; F139-F161 HydrophobicContact CG-CG 3.85Å; F139-F161 HydrophobicContact CZ-CB 4.33Å; F139-F161 HydrophobicContact CZ-CD1 4.42Å; F139-F161 HydrophobicContact CZ-CG 4.23Å; F139-L313 HydrophobicContact CE1-CD2 4.4Å |
| 140 | F | 94.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.7 | -84.2 | -98.1 | 0 | 0 | 0 | 112.7 | L110 T113 L114 V136 E137 A138 E142 L143 E144 L313 | L110-F140 HydrophobicContact CB-CD1 4.47Å; L110-F140 HydrophobicContact CD2-CD1 4.2Å; L110-F140 HydrophobicContact CD2-CE1 4.42Å; L110-F140 WeakPolarHBondContact O-CE1 3.49Å; T113-F140 HydrophobicContact CG2-CE1 3.87Å; T113-F140 HydrophobicContact CG2-CZ 3.88Å; L114-F140 HydrophobicContact CB-CD1 3.78Å; L114-F140 HydrophobicContact CB-CD2 4.38Å; L114-F140 HydrophobicContact CB-CE1 3.92Å; L114-F140 HydrophobicContact CB-CE2 4.48Å; L114-F140 HydrophobicContact CB-CG 4.01Å; L114-F140 HydrophobicContact CB-CZ 4.25Å; L114-F140 HydrophobicContact CD1-CB 4.28Å; L114-F140 HydrophobicContact CD1-CD1 4.47Å; L114-F140 HydrophobicContact CD1-CD2 3.59Å; L114-F140 HydrophobicContact CD1-CE2 3.92Å; L114-F140 HydrophobicContact CD1-CG 3.86Å; L114-F140 HydrophobicContact CD1-CZ 4.49Å; L114-F140 HydrophobicContact CD2-CB 4.22Å; L114-F140 HydrophobicContact CD2-CG 4.44Å; L114-F140 HydrophobicContact CG-CD2 4.48Å; L114-F140 HydrophobicContact CG-CG 4.32Å; V136-F140 HydrophobicContact CG1-CD2 3.92Å; V136-F140 HydrophobicContact CG1-CE2 3.84Å; V136-F140 WeakPolarHBondContact O-CD2 3.43Å; V136-F140 PolarHBondContact O-N 2.97Å; E137-F140 PolarHBondContact O-N 3.34Å; A138-F140 PolarHBondContact O-N 3.03Å; F140-E142 VanDerWaalsContact C-N 3.29Å; F140-E142 PolarHBondContact O-N 2.88Å; F140-L143 HydrophobicContact CD1-CD1 4.49Å; F140-L143 WeakPolarHBondContact O-CB 3.46Å; F140-L143 PolarHBondContact O-N 3.05Å; F140-E144 WeakPolarHBondContact O-CG 3.33Å; F140-E144 PolarHBondContact O-N 3.1Å; F140-L313 HydrophobicContact CE2-CD2 4.45Å; F140-L313 HydrophobicContact CZ-CD2 3.9Å |
| 141 | R | 95 | Very high | 91.5 | Very high | 125 Ų | 125 | 41.2 Ų | 41.2 | 47% | 0.472 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 171.7 | -73.8 | -175.1 | -65.8 | -97.5 | 2.3 | 112.4 | E137 A138 F139 E144 S145 | E137-R141 WeakPolarHBondContact O-CG 3.47Å; E137-R141 PolarHBondContact O-N 2.92Å; E137-R141 IonicContact OE2-NH1 2.89Å; E137-R141 PolarHBondContact OE2-NH1 2.99Å; A138-R141 VanDerWaalsContact CA-NH2 3.3Å; A138-R141 PolarHBondContact O-N 3.18Å; F139-R141 PolarHBondContact O-N 3.33Å; R141-E144 PolarHBondContact O-N 2.85Å; R141-S145 VanDerWaalsContact O-CB 3.3Å; R141-S145 WeakPolarHBondContact O-CB 3.35Å; R141-S145 PolarHBondContact O-N 3.13Å |
| 142 | E | 93 | Very high | 91.5 | Very high | 32 Ų | 32 | 42 Ų | 42 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.2 | -36.3 | 175.1 | -70.3 | -67.1 | 165.9 | 0 | 0 | 112 | A138 F139 F140 S145 Y146 R151 L157 | A138-E142 WeakPolarHBondContact O-CG 3.2Å; A138-E142 PolarHBondContact O-N 3.4Å; F139-E142 WeakPolarHBondContact O-CB 3.46Å; F139-E142 PolarHBondContact O-N 3.42Å; F139-E142 VanDerWaalsContact O-N 3.13Å; F140-E142 VanDerWaalsContact C-N 3.29Å; F140-E142 PolarHBondContact O-N 2.88Å; E142-S145 WeakPolarHBondContact O-CB 3.25Å; E142-S145 PolarHBondContact O-N 3.46Å; E142-Y146 WeakPolarHBondContact O-CB 3.32Å; E142-Y146 PolarHBondContact O-N 3.29Å; E142-R151 IonicContact OE1-CZ 3.5Å; E142-R151 IonicContact OE1-NE 3.99Å; E142-R151 IonicContact OE1-NH2 2.72Å; E142-R151 PolarHBondContact OE1-NH2 3.37Å; E142-R151 WeakPolarHBondContact OE2-CD 3.28Å; E142-R151 VanDerWaalsContact OE2-CG 3.24Å; E142-R151 WeakPolarHBondContact OE2-CG 3.37Å; E142-R151 IonicContact OE2-CZ 3.46Å; E142-R151 IonicContact OE2-NE 3.63Å; E142-R151 PolarHBondContact OE2-NE 3.08Å; E142-R151 IonicContact OE2-NH2 2.56Å; E142-R151 PolarHBondContact OE2-NH2 3.47Å; E142-L157 HydrophobicContact CB-CD2 4.13Å |
| 143 | L | 92.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 170.8 | -65.8 | 179.4 | 0 | 0 | 0 | 112.3 | L110 F139 F140 Y146 M147 I154 F213 | L110-L143 HydrophobicContact CD1-CB 4.21Å; L110-L143 HydrophobicContact CD2-CB 4.1Å; L110-L143 HydrophobicContact CD2-CD1 4.01Å; F139-L143 HydrophobicContact CD1-CD1 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.67Å; F139-L143 HydrophobicContact CE1-CG 4.28Å; F139-L143 HydrophobicContact CE2-CD1 4.43Å; F139-L143 HydrophobicContact CE2-CD2 4.09Å; F139-L143 HydrophobicContact CE2-CG 4.18Å; F139-L143 HydrophobicContact CZ-CD1 3.81Å; F139-L143 HydrophobicContact CZ-CD2 4.01Å; F139-L143 HydrophobicContact CZ-CG 4.05Å; F139-L143 WeakPolarHBondContact O-CG 3.41Å; F139-L143 PolarHBondContact O-N 3.49Å; F140-L143 HydrophobicContact CD1-CD1 4.49Å; F140-L143 WeakPolarHBondContact O-CB 3.46Å; F140-L143 PolarHBondContact O-N 3.05Å; L143-Y146 PolarHBondContact O-N 2.83Å; L143-M147 WeakPolarHBondContact O-CG 3.48Å; L143-M147 PolarHBondContact O-N 3.5Å; L143-I154 HydrophobicContact CD2-CD1 3.47Å; L143-I154 VanDerWaalsContact CD2-CD1 3.47Å; L143-F213 HydrophobicContact CB-CE1 3.94Å; L143-F213 HydrophobicContact CB-CZ 4.27Å; L143-F213 HydrophobicContact CD1-CZ 4.11Å; L143-F213 HydrophobicContact CD2-CE1 4.14Å; L143-F213 HydrophobicContact CD2-CZ 4.04Å; L143-F213 HydrophobicContact CG-CE1 4.46Å; L143-F213 HydrophobicContact CG-CZ 4.38Å |
| 144 | E | 91.9 | Very high | 91.3 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 29% | 0.29 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 172.9 | -68.6 | 176.9 | -176.6 | 0 | 0 | 111 | L107 L110 F140 R141 Y146 M147 L148 | L107-E144 HydrophobicContact CD2-CB 3.84Å; L107-E144 HydrophobicContact CD2-CG 3.74Å; L110-E144 HydrophobicContact CB-CG 4.48Å; L110-E144 HydrophobicContact CD1-CB 4.41Å; L110-E144 HydrophobicContact CD1-CG 3.67Å; F140-E144 WeakPolarHBondContact O-CG 3.33Å; F140-E144 PolarHBondContact O-N 3.1Å; R141-E144 PolarHBondContact O-N 2.85Å; E144-Y146 VanDerWaalsContact C-N 3.31Å; E144-Y146 PolarHBondContact O-N 3.48Å; E144-M147 WeakPolarHBondContact O-CB 3.24Å; E144-M147 PolarHBondContact O-N 3.42Å; E144-M147 VanDerWaalsContact O-N 3.13Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 2.9Å |
| 145 | S | 91 | Very high | 91.2 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 20% | 0.203 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.8 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | R141 E142 L148 G149 N150 R151 | R141-S145 VanDerWaalsContact O-CB 3.3Å; R141-S145 WeakPolarHBondContact O-CB 3.35Å; R141-S145 PolarHBondContact O-N 3.13Å; E142-S145 WeakPolarHBondContact O-CB 3.25Å; E142-S145 PolarHBondContact O-N 3.46Å; S145-L148 PolarHBondContact O-N 3.2Å; S145-G149 CarbonylContact O-C 3.34Å; S145-G149 PolarHBondContact O-N 3.28Å; S145-G149 VanDerWaalsContact O-N 3.09Å; S145-N150 PolarHBondContact O-N 2.83Å; S145-N150 VanDerWaalsContact OG-CB 3.31Å; S145-N150 WeakPolarHBondContact OG-CB 3.44Å; S145-R151 PolarHBondContact O-N 3.03Å; S145-R151 WeakPolarHBondContact OG-CG 3.49Å |
| 146 | Y | 91 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 171.9 | 176.3 | -80.8 | 0 | 0 | 0 | 111.4 | E142 L143 E144 L148 G149 I154 L157 F213 P214 R217 D484 | E142-Y146 WeakPolarHBondContact O-CB 3.32Å; E142-Y146 PolarHBondContact O-N 3.29Å; L143-Y146 PolarHBondContact O-N 2.83Å; E144-Y146 VanDerWaalsContact C-N 3.31Å; E144-Y146 PolarHBondContact O-N 3.48Å; Y146-L148 VanDerWaalsContact C-N 3.31Å; Y146-L148 PolarHBondContact O-N 3.31Å; Y146-G149 WeakPolarHBondContact O-CA 3.48Å; Y146-G149 PolarHBondContact O-N 3.09Å; Y146-I154 HydrophobicContact CD1-CD1 4.2Å; Y146-I154 HydrophobicContact CD2-CB 4.02Å; Y146-I154 HydrophobicContact CD2-CD1 4.31Å; Y146-I154 HydrophobicContact CE1-CB 4.31Å; Y146-I154 HydrophobicContact CE2-CB 3.59Å; Y146-I154 HydrophobicContact CE2-CG2 4.37Å; Y146-I154 HydrophobicContact CG-CD1 4.09Å; Y146-L157 HydrophobicContact CD2-CD1 4.18Å; Y146-L157 HydrophobicContact CG-CD1 4.32Å; Y146-F213 HydrophobicContact CD1-CB 3.93Å; Y146-F213 HydrophobicContact CD1-CD1 4Å; Y146-F213 HydrophobicContact CD1-CG 4.37Å; Y146-F213 HydrophobicContact CE1-CB 3.49Å; Y146-F213 VanDerWaalsContact CE1-CB 3.49Å; Y146-F213 HydrophobicContact CE1-CD1 4.43Å; Y146-F213 HydrophobicContact CE1-CG 4.38Å; Y146-P214 WeakPolarHBondContact OH-CG 3.22Å; Y146-R217 VanDerWaalsContact CZ-NH1 3.33Å; Y146-R217 WeakPolarHBondContact O-CD 3.26Å; Y146-R217 VanDerWaalsContact O-CZ 3.22Å; Y146-R217 PolarHBondContact O-NE 3.15Å; Y146-R217 PolarHBondContact O-NH1 2.77Å; Y146-R217 VanDerWaalsContact O-NH1 3.08Å; Y146-D484 WeakPolarHBondContact CE2-OD1 3.32Å; Y146-D484 WeakPolarHBondContact CE2-OD2 3.3Å; Y146-D484 PolarHBondContact OH-OD1 2.95Å; Y146-D484 PolarHBondContact OH-OD2 3.29Å |
| 147 | M | 87.4 | Confident | 91.1 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 179.4 | -78.9 | -55.2 | -54.3 | 0 | 0 | 112.9 | M106 L110 L143 E144 G149 F213 R217 | M106-M147 HydrophobicContact CB-CE 3.87Å; M106-M147 HydrophobicContact CE-CE 3.78Å; M106-M147 HydrophobicContact CE-SD 3.83Å; M106-M147 HydrophobicContact CG-CE 3.76Å; L110-M147 HydrophobicContact CD1-CG 4.35Å; L143-M147 WeakPolarHBondContact O-CG 3.48Å; L143-M147 PolarHBondContact O-N 3.5Å; E144-M147 WeakPolarHBondContact O-CB 3.24Å; E144-M147 PolarHBondContact O-N 3.42Å; E144-M147 VanDerWaalsContact O-N 3.13Å; M147-G149 PolarHBondContact O-N 2.88Å; M147-F213 HydrophobicContact CG-CD1 3.5Å; M147-F213 HydrophobicContact CG-CE1 3.8Å; M147-F213 HydrophobicContact SD-CB 3.9Å; M147-F213 HydrophobicContact SD-CD1 3.3Å; M147-F213 WeakPolarHBondContact SD-CD1 3.29Å; M147-F213 HydrophobicContact SD-CE1 4.1Å; M147-F213 HydrophobicContact SD-CG 3.94Å; M147-R217 HydrophobicContact CE-CB 4.29Å; M147-R217 HydrophobicContact SD-CB 4.44Å |
| 148 | L | 87.1 | Confident | 91 | Very high | 55 Ų | 55 | 37 Ų | 37 | 29% | 0.288 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -76.4 | -13.2 | 177.3 | -67.7 | 176.4 | 0 | 0 | 0 | 113.5 | Q103 L107 E144 S145 Y146 | Q103-L148 HydrophobicContact CG-CD2 3.82Å; L107-L148 HydrophobicContact CD1-CD2 4.29Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 2.9Å; S145-L148 PolarHBondContact O-N 3.2Å; Y146-L148 VanDerWaalsContact C-N 3.31Å; Y146-L148 PolarHBondContact O-N 3.31Å |
| 149 | G | 84.5 | Confident | 91 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.8 | -15.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S145 Y146 M147 R151 R217 Y487 | S145-G149 CarbonylContact O-C 3.34Å; S145-G149 PolarHBondContact O-N 3.28Å; S145-G149 VanDerWaalsContact O-N 3.09Å; Y146-G149 WeakPolarHBondContact O-CA 3.48Å; Y146-G149 PolarHBondContact O-N 3.09Å; M147-G149 PolarHBondContact O-N 2.88Å; G149-R151 PolarHBondContact O-N 2.78Å; G149-R217 VanDerWaalsContact CA-NH2 3.26Å; G149-R217 PolarHBondContact O-NH2 3.5Å; G149-Y487 VanDerWaalsContact CA-CD2 3.44Å; G149-Y487 WeakPolarHBondContact O-CB 3.27Å; G149-Y487 WeakPolarHBondContact O-CD2 3.47Å; G149-Y487 VanDerWaalsContact O-CE2 3.25Å; G149-Y487 WeakPolarHBondContact O-CE2 3.41Å |
| 150 | N | 84.3 | Confident | 90.9 | Very high | 102 Ų | 102 | 42.3 Ų | 42.3 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.4 | -12.2 | -173.9 | -60.6 | -24.3 | 0 | 0 | 0 | 113.9 | S145 | S145-N150 PolarHBondContact O-N 2.83Å; S145-N150 VanDerWaalsContact OG-CB 3.31Å; S145-N150 WeakPolarHBondContact OG-CB 3.44Å |
| 151 | R | 85.1 | Confident | 91 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | trans | -125.3 | 161.6 | 171 | -69.5 | -67.4 | -160.5 | 178.6 | 6.9 | 112.2 | E142 S145 G149 L157 R217 | E142-R151 IonicContact OE1-CZ 3.5Å; E142-R151 IonicContact OE1-NE 3.99Å; E142-R151 IonicContact OE1-NH2 2.72Å; E142-R151 PolarHBondContact OE1-NH2 3.37Å; E142-R151 WeakPolarHBondContact OE2-CD 3.28Å; E142-R151 VanDerWaalsContact OE2-CG 3.24Å; E142-R151 WeakPolarHBondContact OE2-CG 3.37Å; E142-R151 IonicContact OE2-CZ 3.46Å; E142-R151 IonicContact OE2-NE 3.63Å; E142-R151 PolarHBondContact OE2-NE 3.08Å; E142-R151 IonicContact OE2-NH2 2.56Å; E142-R151 PolarHBondContact OE2-NH2 3.47Å; S145-R151 PolarHBondContact O-N 3.03Å; S145-R151 WeakPolarHBondContact OG-CG 3.49Å; G149-R151 PolarHBondContact O-N 2.78Å; R151-L157 HydrophobicContact CB-CD1 4.39Å; R151-R217 VanDerWaalsContact O-CZ 3.24Å; R151-R217 PolarHBondContact O-NH1 2.89Å; R151-R217 PolarHBondContact O-NH2 3.43Å | ||
| 152 | Q | 87.2 | Confident | 91.1 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | trans | -130.2 | 168.8 | 177.2 | -59.8 | -178.7 | 8.9 | 0 | 0 | 108.9 | Y487 | Q152-Y487 VanDerWaalsContact NE2-N 3.17Š| ||
| 153 | N | 89.9 | Confident | 91.2 | Very high | 83 Ų | 83 | 38.6 Ų | 38.6 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | trans | 60.2 | 74.4 | 174.7 | -163.9 | -13 | 0 | 0 | 0 | 112.7 | A155 S156 L157 D484 | N153-A155 PolarHBondContact O-N 3.18Å; N153-A155 WeakPolarHBondContact OD1-CB 3.42Å; N153-A155 PolarHBondContact OD1-N 3.28Å; N153-S156 WeakPolarHBondContact O-CB 3.41Å; N153-S156 PolarHBondContact O-N 3.41Å; N153-S156 VanDerWaalsContact O-N 3.13Å; N153-S156 PolarHBondContact OD1-N 3.08Å; N153-L157 PolarHBondContact O-N 2.92Å; N153-L157 VanDerWaalsContact O-N 3.16Å; N153-D484 WeakPolarHBondContact CA-OD2 3.23Å; N153-D484 PolarHBondContact N-OD2 2.84Å | ||
| 154 | I | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.5 | -31 | 175.5 | -169.3 | 60.6 | 0 | 0 | 0 | 112 | L143 Y146 L157 V158 A209 T210 F213 D484 | L143-I154 HydrophobicContact CD2-CD1 3.47Å; L143-I154 VanDerWaalsContact CD2-CD1 3.47Å; Y146-I154 HydrophobicContact CD1-CD1 4.2Å; Y146-I154 HydrophobicContact CD2-CB 4.02Å; Y146-I154 HydrophobicContact CD2-CD1 4.31Å; Y146-I154 HydrophobicContact CE1-CB 4.31Å; Y146-I154 HydrophobicContact CE2-CB 3.59Å; Y146-I154 HydrophobicContact CE2-CG2 4.37Å; Y146-I154 HydrophobicContact CG-CD1 4.09Å; I154-L157 HydrophobicContact CD1-CD1 4.19Å; I154-L157 PolarHBondContact O-N 3.23Å; I154-V158 WeakPolarHBondContact O-CG2 3.42Å; I154-V158 PolarHBondContact O-N 3.29Å; I154-V158 VanDerWaalsContact O-N 3.14Å; I154-A209 HydrophobicContact CD1-CB 4.32Å; I154-A209 HydrophobicContact CG1-CB 3.59Å; I154-T210 HydrophobicContact CG2-CG2 3.65Å; I154-F213 HydrophobicContact CD1-CD1 4.38Å; I154-F213 HydrophobicContact CD1-CD2 4.47Å; I154-F213 HydrophobicContact CD1-CG 4.27Å; I154-F213 HydrophobicContact CG1-CB 4.49Å; I154-F213 HydrophobicContact CG1-CG 4.48Å; I154-D484 WeakPolarHBondContact CG2-OD2 3.21Å; I154-D484 PolarHBondContact N-OD2 3.41Å |
| 155 | A | 92.7 | Very high | 91.4 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N153 L157 V158 D159 R206 | N153-A155 PolarHBondContact O-N 3.18Å; N153-A155 WeakPolarHBondContact OD1-CB 3.42Å; N153-A155 PolarHBondContact OD1-N 3.28Å; A155-L157 VanDerWaalsContact C-N 3.31Å; A155-L157 PolarHBondContact O-N 3.42Å; A155-V158 PolarHBondContact O-N 3.46Å; A155-V158 VanDerWaalsContact O-N 3.16Å; A155-D159 VanDerWaalsContact O-CG 3.3Å; A155-D159 PolarHBondContact O-N 3.02Å; A155-R206 HydrophobicContact CB-CG 3.8Å |
| 156 | S | 93.2 | Very high | 91.6 | Very high | 43 Ų | 43 | 35 Ų | 35 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 174.7 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | N153 V158 D159 D160 | N153-S156 WeakPolarHBondContact O-CB 3.41Å; N153-S156 PolarHBondContact O-N 3.41Å; N153-S156 VanDerWaalsContact O-N 3.13Å; N153-S156 PolarHBondContact OD1-N 3.08Å; S156-V158 VanDerWaalsContact C-N 3.27Å; S156-V158 PolarHBondContact O-N 3.33Å; S156-D159 PolarHBondContact O-N 3.47Å; S156-D160 WeakPolarHBondContact O-CB 3.36Å; S156-D160 PolarHBondContact O-N 3.32Å; S156-D160 PolarHBondContact OG-OD2 3.36Å |
| 157 | L | 93.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 177.4 | -67.6 | 178.5 | 0 | 0 | 0 | 112.3 | E142 Y146 R151 N153 I154 A155 F161 | E142-L157 HydrophobicContact CB-CD2 4.13Å; Y146-L157 HydrophobicContact CD2-CD1 4.18Å; Y146-L157 HydrophobicContact CG-CD1 4.32Å; R151-L157 HydrophobicContact CB-CD1 4.39Å; N153-L157 PolarHBondContact O-N 2.92Å; N153-L157 VanDerWaalsContact O-N 3.16Å; I154-L157 HydrophobicContact CD1-CD1 4.19Å; I154-L157 PolarHBondContact O-N 3.23Å; A155-L157 VanDerWaalsContact C-N 3.31Å; A155-L157 PolarHBondContact O-N 3.42Å; L157-F161 WeakPolarHBondContact O-CB 3.48Å; L157-F161 PolarHBondContact O-N 3.16Å; L157-F161 VanDerWaalsContact O-N 3.14Å |
| 158 | V | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -44.4 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | I154 A155 S156 F161 F162 I205 R206 A209 | I154-V158 WeakPolarHBondContact O-CG2 3.42Å; I154-V158 PolarHBondContact O-N 3.29Å; I154-V158 VanDerWaalsContact O-N 3.14Å; A155-V158 PolarHBondContact O-N 3.46Å; A155-V158 VanDerWaalsContact O-N 3.16Å; S156-V158 VanDerWaalsContact C-N 3.27Å; S156-V158 PolarHBondContact O-N 3.33Å; V158-F161 WeakPolarHBondContact O-CB 3.47Å; V158-F161 PolarHBondContact O-N 3.09Å; V158-F162 HydrophobicContact CG1-CD2 3.82Å; V158-F162 HydrophobicContact CG1-CE2 3.89Å; V158-F162 WeakPolarHBondContact O-CD2 3.4Å; V158-F162 PolarHBondContact O-N 2.91Å; V158-I205 HydrophobicContact CG1-CB 4.3Å; V158-I205 HydrophobicContact CG1-CG2 3.81Å; V158-I205 HydrophobicContact CG2-CG2 4.14Å; V158-R206 HydrophobicContact CG1-CB 4.15Å; V158-A209 HydrophobicContact CG2-CB 4.03Å |
| 159 | D | 94.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 33% | 0.332 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63 | -45.7 | 179.5 | -65.3 | -27.7 | 0 | 0 | 0 | 110.9 | A155 S156 F161 F162 D163 R206 | A155-D159 VanDerWaalsContact O-CG 3.3Å; A155-D159 PolarHBondContact O-N 3.02Å; S156-D159 PolarHBondContact O-N 3.47Å; D159-F161 VanDerWaalsContact C-N 3.3Å; D159-F161 PolarHBondContact O-N 3.07Å; D159-F162 PolarHBondContact O-N 3.25Å; D159-F162 VanDerWaalsContact O-N 3.13Å; D159-D163 PolarHBondContact O-N 3.26Å; D159-R206 IonicContact OD1-NH1 3.06Å; D159-R206 PolarHBondContact OD1-NH1 3.35Å |
| 160 | D | 94.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 175.8 | -67.6 | -25.2 | 0 | 0 | 0 | 111.8 | S156 G164 | S156-D160 WeakPolarHBondContact O-CB 3.36Å; S156-D160 PolarHBondContact O-N 3.32Å; S156-D160 PolarHBondContact OG-OD2 3.36Å; D160-G164 PolarHBondContact O-N 3.43Å |
| 161 | F | 96 | Very high | 92.8 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.7 | 169.9 | -101.9 | 0 | 0 | 0 | 111.7 | F135 F139 L157 V158 D159 G164 L165 I317 | F135-F161 HydrophobicContact CD1-CE2 4.27Å; F135-F161 AromaticContact CE1-CD2 3.74Å; F135-F161 HydrophobicContact CE1-CD2 3.74Å; F135-F161 AromaticContact CE1-CE2 3.46Å; F135-F161 HydrophobicContact CE1-CE2 3.46Å; F135-F161 VanDerWaalsContact CE1-CE2 3.46Å; F135-F161 HydrophobicContact CE1-CZ 4.34Å; F135-F161 AromaticContact CZ-CD2 3.73Å; F135-F161 HydrophobicContact CZ-CD2 3.73Å; F135-F161 AromaticContact CZ-CE2 3.97Å; F135-F161 HydrophobicContact CZ-CE2 3.97Å; F135-F161 WeakPolarHBondContact CZ-O 3.42Å; F139-F161 HydrophobicContact CB-CD2 3.61Å; F139-F161 HydrophobicContact CB-CE2 4.09Å; F139-F161 HydrophobicContact CB-CG 4.43Å; F139-F161 AromaticContact CD1-CD2 3.83Å; F139-F161 HydrophobicContact CD1-CD2 3.83Å; F139-F161 HydrophobicContact CD1-CE2 4.01Å; F139-F161 HydrophobicContact CD1-CG 4.15Å; F139-F161 HydrophobicContact CD2-CB 3.51Å; F139-F161 AromaticContact CD2-CD2 3.81Å; F139-F161 HydrophobicContact CD2-CD2 3.81Å; F139-F161 AromaticContact CD2-CG 3.76Å; F139-F161 HydrophobicContact CD2-CG 3.76Å; F139-F161 HydrophobicContact CE1-CD1 4.48Å; F139-F161 HydrophobicContact CE1-CD2 4.43Å; F139-F161 HydrophobicContact CE1-CG 4.33Å; F139-F161 HydrophobicContact CE2-CB 3.63Å; F139-F161 HydrophobicContact CE2-CD2 4.41Å; F139-F161 AromaticContact CE2-CG 3.95Å; F139-F161 HydrophobicContact CE2-CG 3.95Å; F139-F161 HydrophobicContact CG-CB 4.11Å; F139-F161 AromaticContact CG-CD2 3.46Å; F139-F161 HydrophobicContact CG-CD2 3.46Å; F139-F161 VanDerWaalsContact CG-CD2 3.46Å; F139-F161 HydrophobicContact CG-CE2 4.04Å; F139-F161 AromaticContact CG-CG 3.85Å; F139-F161 HydrophobicContact CG-CG 3.85Å; F139-F161 HydrophobicContact CZ-CB 4.33Å; F139-F161 HydrophobicContact CZ-CD1 4.42Å; F139-F161 HydrophobicContact CZ-CG 4.23Å; L157-F161 WeakPolarHBondContact O-CB 3.48Å; L157-F161 PolarHBondContact O-N 3.16Å; L157-F161 VanDerWaalsContact O-N 3.14Å; V158-F161 WeakPolarHBondContact O-CB 3.47Å; V158-F161 PolarHBondContact O-N 3.09Å; D159-F161 VanDerWaalsContact C-N 3.3Å; D159-F161 PolarHBondContact O-N 3.07Å; F161-G164 PolarHBondContact O-N 3.34Å; F161-L165 HydrophobicContact CE1-CD2 3.99Å; F161-L165 HydrophobicContact CZ-CD2 4.1Å; F161-L165 WeakPolarHBondContact O-CB 3.5Å; F161-L165 PolarHBondContact O-N 2.89Å; F161-I317 HydrophobicContact CE1-CD1 3.57Å; F161-I317 HydrophobicContact CE1-CG1 4.16Å; F161-I317 HydrophobicContact CZ-CD1 3.67Å; F161-I317 HydrophobicContact CZ-CG1 4.49Å; F161-I317 HydrophobicContact CZ-CG2 4.37Å |
| 162 | F | 96.4 | Very high | 93 | Very high | 9 Ų | 9 | 29.2 Ų | 29.2 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -35.4 | 179.6 | -84.7 | -72.8 | 0 | 0 | 0 | 112.8 | V158 D159 L165 L166 F198 A201 P202 I205 A320 | V158-F162 HydrophobicContact CG1-CD2 3.82Å; V158-F162 HydrophobicContact CG1-CE2 3.89Å; V158-F162 WeakPolarHBondContact O-CD2 3.4Å; V158-F162 PolarHBondContact O-N 2.91Å; D159-F162 PolarHBondContact O-N 3.25Å; D159-F162 VanDerWaalsContact O-N 3.13Å; F162-L165 HydrophobicContact CD1-CD2 4.06Å; F162-L165 HydrophobicContact CE1-CD2 4.07Å; F162-L165 PolarHBondContact O-N 3.49Å; F162-L166 PolarHBondContact O-N 3.31Å; F162-F198 HydrophobicContact CB-CD2 4.41Å; F162-F198 HydrophobicContact CD1-CB 4.37Å; F162-F198 AromaticContact CD1-CD2 3.47Å; F162-F198 HydrophobicContact CD1-CD2 3.47Å; F162-F198 VanDerWaalsContact CD1-CD2 3.47Å; F162-F198 AromaticContact CD1-CE2 3.84Å; F162-F198 HydrophobicContact CD1-CE2 3.84Å; F162-F198 HydrophobicContact CD1-CG 4.01Å; F162-F198 HydrophobicContact CE1-CB 4.39Å; F162-F198 HydrophobicContact CE1-CD2 4.19Å; F162-F198 HydrophobicContact CE1-CG 4.28Å; F162-F198 HydrophobicContact CG-CD2 4.37Å; F162-F198 WeakPolarHBondContact O-CE2 3.37Å; F162-A201 HydrophobicContact CZ-CB 4.38Å; F162-P202 HydrophobicContact CB-CB 4.41Å; F162-P202 HydrophobicContact CB-CG 4.31Å; F162-P202 HydrophobicContact CD1-CB 4.38Å; F162-P202 HydrophobicContact CD1-CG 3.76Å; F162-P202 HydrophobicContact CD2-CB 3.66Å; F162-P202 HydrophobicContact CD2-CG 3.97Å; F162-P202 HydrophobicContact CE1-CG 4Å; F162-P202 VanDerWaalsContact CE2-CA 3.48Å; F162-P202 HydrophobicContact CE2-CB 3.99Å; F162-P202 HydrophobicContact CE2-CG 4.24Å; F162-P202 HydrophobicContact CG-CB 3.88Å; F162-P202 HydrophobicContact CG-CG 3.73Å; F162-P202 HydrophobicContact CZ-CB 4.45Å; F162-P202 HydrophobicContact CZ-CG 4.23Å; F162-I205 HydrophobicContact CE2-CB 4.2Å; F162-I205 HydrophobicContact CE2-CD1 3.93Å; F162-I205 HydrophobicContact CE2-CG2 4.37Å; F162-I205 HydrophobicContact CZ-CD1 3.55Å; F162-A320 HydrophobicContact CE1-CB 4.28Å |
| 163 | D | 94.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 26.2 Ų | 26.2 | 38% | 0.38 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 172.3 | -93.9 | 13.3 | 0 | 0 | 0 | 111.5 | D159 L166 I167 R193 | D159-D163 PolarHBondContact O-N 3.26Å; D163-L166 PolarHBondContact O-N 2.82Å; D163-I167 PolarHBondContact O-N 2.95Å; D163-R193 IonicContact OD1-NH1 3.57Å; D163-R193 IonicContact OD2-CZ 2.89Å; D163-R193 IonicContact OD2-NH1 2.77Å; D163-R193 PolarHBondContact OD2-NH1 2.76Å; D163-R193 IonicContact OD2-NH2 3.59Å |
| 164 | G | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.1 | -33.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F135 D160 F161 R168 | F135-G164 VanDerWaalsContact CZ-C 3.47Å; D160-G164 PolarHBondContact O-N 3.43Å; F161-G164 PolarHBondContact O-N 3.34Å; G164-R168 WeakPolarHBondContact O-CG 3.5Å; G164-R168 PolarHBondContact O-N 2.78Å |
| 165 | L | 95.7 | Very high | 92.4 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.068 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 177.8 | -178.9 | 64.7 | 0 | 0 | 0 | 110.6 | F135 F161 F162 I167 R168 A169 F198 I317 I321 | F135-L165 HydrophobicContact CE1-CB 4.04Å; F135-L165 HydrophobicContact CE1-CD1 4.13Å; F135-L165 HydrophobicContact CZ-CB 4.16Å; F135-L165 VanDerWaalsContact CZ-N 3.33Å; F161-L165 HydrophobicContact CE1-CD2 3.99Å; F161-L165 HydrophobicContact CZ-CD2 4.1Å; F161-L165 WeakPolarHBondContact O-CB 3.5Å; F161-L165 PolarHBondContact O-N 2.89Å; F162-L165 HydrophobicContact CD1-CD2 4.06Å; F162-L165 HydrophobicContact CE1-CD2 4.07Å; F162-L165 PolarHBondContact O-N 3.49Å; L165-I167 PolarHBondContact O-N 2.88Å; L165-R168 PolarHBondContact O-N 3.07Å; L165-A169 WeakPolarHBondContact O-CB 3.39Å; L165-A169 PolarHBondContact O-N 2.76Å; L165-F198 HydrophobicContact CB-CE2 4.45Å; L165-F198 HydrophobicContact CB-CZ 4.25Å; L165-F198 HydrophobicContact CD2-CE1 4.32Å; L165-F198 HydrophobicContact CD2-CE2 4.44Å; L165-F198 HydrophobicContact CD2-CZ 4Å; L165-F198 HydrophobicContact CG-CE1 4.48Å; L165-F198 HydrophobicContact CG-CE2 4.47Å; L165-F198 HydrophobicContact CG-CZ 3.87Å; L165-I317 HydrophobicContact CD2-CG2 3.87Å; L165-I321 HydrophobicContact CD1-CD1 4.33Å; L165-I321 HydrophobicContact CD2-CG1 4.45Å |
| 166 | L | 95.4 | Very high | 92 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56 | -51 | 177.4 | 179 | 58 | 0 | 0 | 0 | 111.1 | F162 D163 L170 A189 R193 P197 F198 L324 | F162-L166 PolarHBondContact O-N 3.31Å; D163-L166 PolarHBondContact O-N 2.82Å; L166-L170 HydrophobicContact CD1-CD1 3.85Å; L166-L170 HydrophobicContact CD1-CG 4.21Å; L166-L170 HydrophobicContact CG-CD1 4.02Å; L166-L170 VanDerWaalsContact O-CB 3.29Å; L166-L170 WeakPolarHBondContact O-CB 3.49Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.36Å; L166-L170 PolarHBondContact O-N 3.24Å; L166-A189 HydrophobicContact CD2-CB 4.24Å; L166-A189 HydrophobicContact CG-CB 4.22Å; L166-R193 HydrophobicContact CD2-CG 3.65Å; L166-P197 HydrophobicContact CD1-CB 4.08Å; L166-P197 HydrophobicContact CD1-CG 3.68Å; L166-P197 HydrophobicContact CD2-CG 4.04Å; L166-P197 HydrophobicContact CG-CG 4.47Å; L166-F198 HydrophobicContact CB-CE2 3.75Å; L166-F198 HydrophobicContact CB-CZ 4Å; L166-F198 HydrophobicContact CD1-CE2 4.37Å; L166-F198 HydrophobicContact CD1-CZ 4.26Å; L166-L324 HydrophobicContact CD1-CD1 3.79Å; L166-L324 HydrophobicContact CD1-CD2 4.05Å |
| 167 | I | 92.8 | Very high | 91.5 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.087 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | -178.6 | -64.6 | 169.9 | 0 | 0 | 0 | 110.5 | D163 L165 L170 R171 A189 | D163-I167 PolarHBondContact O-N 2.95Å; L165-I167 PolarHBondContact O-N 2.88Å; I167-L170 PolarHBondContact O-N 3.14Å; I167-R171 VanDerWaalsContact CG2-CZ 3.44Å; I167-R171 VanDerWaalsContact CG2-NE 3.29Å; I167-R171 VanDerWaalsContact O-CG 3.28Å; I167-R171 WeakPolarHBondContact O-CG 3.27Å; I167-R171 PolarHBondContact O-N 3.27Å; I167-A189 HydrophobicContact CG1-CB 4.24Å |
| 168 | R | 92.7 | Very high | 91.1 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 15% | 0.151 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | -178.8 | -75 | 175 | 171.2 | 72.5 | 6.7 | 112.9 | F135 G164 L165 L170 R171 V172 D548 | F135-R168 VanDerWaalsContact CD2-CD 3.48Å; F135-R168 VanDerWaalsContact CD2-NE 3.32Å; F135-R168 VanDerWaalsContact CD2-NH1 3.34Å; G164-R168 WeakPolarHBondContact O-CG 3.5Å; G164-R168 PolarHBondContact O-N 2.78Å; L165-R168 PolarHBondContact O-N 3.07Å; R168-L170 VanDerWaalsContact C-N 3.29Å; R168-L170 PolarHBondContact O-N 2.85Å; R168-R171 PolarHBondContact O-N 2.94Å; R168-V172 WeakPolarHBondContact O-CG2 3.41Å; R168-V172 PolarHBondContact O-N 2.93Å; R168-D548 PolarHBondContact NH2-O 3.47Å |
| 169 | A | 92 | Very high | 90.6 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | L165 V172 M173 L324 | L165-A169 WeakPolarHBondContact O-CB 3.39Å; L165-A169 PolarHBondContact O-N 2.76Å; A169-V172 PolarHBondContact O-N 2.99Å; A169-M173 HydrophobicContact CB-CE 3.98Å; A169-M173 WeakPolarHBondContact O-CB 3.48Å; A169-M173 WeakPolarHBondContact O-CG 3.47Å; A169-M173 PolarHBondContact O-N 2.75Å; A169-L324 HydrophobicContact CB-CD2 3.59Å |
| 170 | L | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 173.5 | -79.9 | 170 | 0 | 0 | 0 | 112.3 | L166 I167 R168 V172 M173 L174 V188 A189 L192 L324 L328 | L166-L170 HydrophobicContact CD1-CD1 3.85Å; L166-L170 HydrophobicContact CD1-CG 4.21Å; L166-L170 HydrophobicContact CG-CD1 4.02Å; L166-L170 VanDerWaalsContact O-CB 3.29Å; L166-L170 WeakPolarHBondContact O-CB 3.49Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.36Å; L166-L170 PolarHBondContact O-N 3.24Å; I167-L170 PolarHBondContact O-N 3.14Å; R168-L170 VanDerWaalsContact C-N 3.29Å; R168-L170 PolarHBondContact O-N 2.85Å; L170-V172 PolarHBondContact O-N 2.95Å; L170-M173 CarbonylContact O-C 3.59Å; L170-M173 PolarHBondContact O-N 3.5Å; L170-M173 VanDerWaalsContact O-N 3.11Å; L170-L174 HydrophobicContact CB-CD1 4.35Å; L170-L174 HydrophobicContact CD2-CD1 4.24Å; L170-L174 HydrophobicContact CD2-CG 4.47Å; L170-L174 WeakPolarHBondContact O-CA 3.38Å; L170-L174 WeakPolarHBondContact O-CB 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.09Å; L170-V188 HydrophobicContact CD1-CG1 4.15Å; L170-V188 HydrophobicContact CD2-CG1 3.77Å; L170-A189 VanDerWaalsContact CD1-CA 3.44Å; L170-A189 HydrophobicContact CD1-CB 3.48Å; L170-A189 VanDerWaalsContact CD1-CB 3.48Å; L170-L192 HydrophobicContact CD1-CD1 4.22Å; L170-L192 HydrophobicContact CD2-CD1 3.9Å; L170-L324 HydrophobicContact CD2-CD1 4.47Å; L170-L328 HydrophobicContact CD2-CD1 3.53Å; L170-L328 HydrophobicContact CD2-CD2 3.6Å; L170-L328 HydrophobicContact CD2-CG 4.05Å |
| 171 | R | 89.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -37.2 | 180 | -71.3 | 172.7 | -176.8 | -175.3 | 1.5 | 112.4 | I167 R168 F175 V176 S182 A185 D186 E549 | I167-R171 VanDerWaalsContact CG2-CZ 3.44Å; I167-R171 VanDerWaalsContact CG2-NE 3.29Å; I167-R171 VanDerWaalsContact O-CG 3.28Å; I167-R171 WeakPolarHBondContact O-CG 3.27Å; I167-R171 PolarHBondContact O-N 3.27Å; R168-R171 PolarHBondContact O-N 2.94Å; R171-F175 PolarHBondContact O-N 3.13Å; R171-F175 VanDerWaalsContact O-N 3.15Å; R171-V176 HydrophobicContact CB-CB 4.01Å; R171-V176 HydrophobicContact CB-CG1 4.49Å; R171-V176 HydrophobicContact CB-CG2 4.06Å; R171-V176 HydrophobicContact CG-CB 4.2Å; R171-V176 HydrophobicContact CG-CG1 4.27Å; R171-V176 HydrophobicContact CG-CG2 3.99Å; R171-V176 PolarHBondContact O-N 3.41Å; R171-S182 VanDerWaalsContact CZ-OG 3.29Å; R171-S182 PolarHBondContact NE-OG 3.37Å; R171-S182 PolarHBondContact NH2-OG 2.98Å; R171-S182 VanDerWaalsContact NH2-OG 3.09Å; R171-A185 HydrophobicContact CG-CB 3.97Å; R171-D186 IonicContact CZ-OD1 2.93Å; R171-D186 IonicContact NE-OD1 2.75Å; R171-D186 IonicContact NH2-OD1 2.82Å; R171-D186 PolarHBondContact NH2-OD1 3.13Å; R171-D186 IonicContact NH2-OD2 3.68Å; R171-D186 PolarHBondContact NH2-OD2 3.49Å; R171-E549 PolarHBondContact NH1-O 2.97Å |
| 172 | V | 88.7 | Confident | 88.9 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 24% | 0.242 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -53.9 | 171.6 | 172 | 0 | 0 | 0 | 0 | 111.1 | N128 R168 A169 L170 L174 F175 | N128-V172 HydrophobicContact CB-CG1 3.72Å; R168-V172 WeakPolarHBondContact O-CG2 3.41Å; R168-V172 PolarHBondContact O-N 2.93Å; A169-V172 PolarHBondContact O-N 2.99Å; L170-V172 PolarHBondContact O-N 2.95Å; V172-L174 PolarHBondContact O-N 3.4Å; V172-F175 PolarHBondContact O-N 2.87Å; V172-F175 VanDerWaalsContact O-N 3.1Å |
| 173 | M | 86.4 | Confident | 88.5 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -25.1 | -177.4 | -68.5 | 173.8 | -157.7 | 0 | 0 | 113.8 | A169 L170 I321 L324 Q325 L328 | A169-M173 HydrophobicContact CB-CE 3.98Å; A169-M173 WeakPolarHBondContact O-CB 3.48Å; A169-M173 WeakPolarHBondContact O-CG 3.47Å; A169-M173 PolarHBondContact O-N 2.75Å; L170-M173 CarbonylContact O-C 3.59Å; L170-M173 PolarHBondContact O-N 3.5Å; L170-M173 VanDerWaalsContact O-N 3.11Å; M173-I321 HydrophobicContact CE-CG2 3.66Å; M173-L324 HydrophobicContact CE-CD2 3.91Å; M173-L324 HydrophobicContact CE-CG 4.18Å; M173-L324 HydrophobicContact SD-CD2 4.2Å; M173-L324 HydrophobicContact SD-CG 4.13Å; M173-Q325 HydrophobicContact CE-CG 3.35Å; M173-Q325 HydrophobicContact CG-CG 4.43Å; M173-Q325 HydrophobicContact SD-CB 4.47Å; M173-Q325 HydrophobicContact SD-CG 3.59Å; M173-Q325 VanDerWaalsContact SD-CG 3.59Å; M173-L328 HydrophobicContact CB-CD1 4.34Å; M173-L328 HydrophobicContact SD-CD1 3.38Å; M173-L328 WeakPolarHBondContact SD-CD1 3.35Å |
| 174 | L | 85.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.6 | 178.5 | -64.2 | -177.2 | 0 | 0 | 0 | 112.7 | L170 V172 V176 A185 V188 F338 Y358 | L170-L174 HydrophobicContact CB-CD1 4.35Å; L170-L174 HydrophobicContact CD2-CD1 4.24Å; L170-L174 HydrophobicContact CD2-CG 4.47Å; L170-L174 WeakPolarHBondContact O-CA 3.38Å; L170-L174 WeakPolarHBondContact O-CB 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.09Å; V172-L174 PolarHBondContact O-N 3.4Å; L174-V176 HydrophobicContact CB-CG2 4.11Å; L174-V176 PolarHBondContact O-N 3.49Å; L174-A185 HydrophobicContact CD1-CB 3.88Å; L174-V188 HydrophobicContact CD1-CB 4.38Å; L174-V188 HydrophobicContact CD1-CG1 4.28Å; L174-V188 HydrophobicContact CD1-CG2 4.42Å; L174-F338 HydrophobicContact CD2-CE1 3.94Å; L174-F338 HydrophobicContact CD2-CZ 4.3Å; L174-Y358 WeakPolarHBondContact CA-OH 3.5Å; L174-Y358 WeakPolarHBondContact CB-OH 3.02Å; L174-Y358 HydrophobicContact CD2-CE1 4.01Å; L174-Y358 WeakPolarHBondContact CD2-OH 3.25Å; L174-Y358 WeakPolarHBondContact CG-OH 3.18Å; L174-Y358 WeakPolarHBondContact O-CE2 3.38Å; L174-Y358 VanDerWaalsContact O-CZ 3.25Å; L174-Y358 PolarHBondContact O-OH 3.2Å |
| 175 | F | 86.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 42.1 | -179.9 | -57.2 | -79.5 | 0 | 0 | 0 | 113.7 | R171 V172 K177 R361 R362 | R171-F175 PolarHBondContact O-N 3.13Å; R171-F175 VanDerWaalsContact O-N 3.15Å; V172-F175 PolarHBondContact O-N 2.87Å; V172-F175 VanDerWaalsContact O-N 3.1Å; F175-K177 PolarHBondContact O-N 3.34Å; F175-R361 HydrophobicContact CE2-CB 4.14Å; F175-R361 HydrophobicContact CZ-CB 4.25Å; F175-R362 HydrophobicContact CE2-CG 3.74Å |
| 176 | V | 83.2 | Confident | 87.5 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | trans | -59.6 | 126.1 | -178.9 | 167 | 0 | 0 | 0 | 0 | 110.3 | R171 L174 D181 A185 | R171-V176 HydrophobicContact CB-CB 4.01Å; R171-V176 HydrophobicContact CB-CG1 4.49Å; R171-V176 HydrophobicContact CB-CG2 4.06Å; R171-V176 HydrophobicContact CG-CB 4.2Å; R171-V176 HydrophobicContact CG-CG1 4.27Å; R171-V176 HydrophobicContact CG-CG2 3.99Å; R171-V176 PolarHBondContact O-N 3.41Å; L174-V176 HydrophobicContact CB-CG2 4.11Å; L174-V176 PolarHBondContact O-N 3.49Å; V176-D181 HydrophobicContact CB-CB 4.09Å; V176-D181 HydrophobicContact CG1-CB 3.85Å; V176-D181 HydrophobicContact CG2-CB 3.99Å; V176-A185 HydrophobicContact CG2-CB 3.8Å | ||
| 177 | K | 83 | Confident | 87.3 | Confident | 128 Ų | 128 | 40.2 Ų | 40.2 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | trans | -125.6 | -23.9 | 179.5 | -68 | 174.9 | -167.9 | 173.3 | 0 | 113.5 | F175 D181 | F175-K177 PolarHBondContact O-N 3.34Å; K177-D181 PolarHBondContact N-OD2 2.85Å; K177-D181 VanDerWaalsContact N-OD2 3.08Å | ||
| 178 | T | 85.1 | Confident | 87.2 | Confident | 70 Ų | 70 | 39.4 Ų | 39.4 | 43% | 0.429 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -126.1 | 161.1 | -173.3 | 67.4 | 0 | 0 | 0 | 0 | 111 | P180 D181 S182 | T178-P180 WeakPolarHBondContact OG1-CD 2.95Å; T178-D181 PolarHBondContact N-OD2 2.91Å; T178-D181 WeakPolarHBondContact O-CB 3.37Å; T178-D181 PolarHBondContact O-N 3.36Å; T178-D181 VanDerWaalsContact O-N 3.08Å; T178-D181 PolarHBondContact OG1-OD1 3.32Å; T178-D181 PolarHBondContact OG1-OD2 3.44Å; T178-S182 PolarHBondContact O-N 3.1Å; T178-S182 VanDerWaalsContact O-N 3.1Å |
| 179 | E | 83.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 37.6 Ų | 37.6 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.5 | -41.8 | 177.1 | -166.3 | 66.6 | -170.8 | 0 | 0 | 112.9 | D181 S182 I183 N550 | E179-D181 VanDerWaalsContact C-N 3.3Å; E179-D181 PolarHBondContact O-N 3.09Å; E179-S182 WeakPolarHBondContact O-CA 3.3Å; E179-S182 VanDerWaalsContact O-CB 3.31Å; E179-S182 WeakPolarHBondContact O-CB 3.42Å; E179-S182 PolarHBondContact O-N 2.99Å; E179-I183 PolarHBondContact O-N 2.92Å; E179-I183 VanDerWaalsContact O-N 3.07Å; E179-N550 PolarHBondContact OE1-ND2 3.13Å; E179-N550 PolarHBondContact OE2-ND2 3.5Å |
| 180 | P | 83.1 | Confident | 87.1 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 41% | 0.409 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.2 | -39.8 | 171.8 | -26.6 | 35.7 | 0 | 0 | 0 | 113.8 | T178 S182 I183 V184 | T178-P180 WeakPolarHBondContact OG1-CD 2.95Å; P180-S182 VanDerWaalsContact C-N 3.26Å; P180-S182 PolarHBondContact O-N 3.1Å; P180-I183 PolarHBondContact O-N 3.21Å; P180-V184 WeakPolarHBondContact O-CG2 3.37Å; P180-V184 PolarHBondContact O-N 3.39Å; P180-V184 VanDerWaalsContact O-N 3.15Å |
| 181 | D | 81.9 | Confident | 87.1 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.2 | -34.8 | 176.4 | -53.6 | -37.3 | 0 | 0 | 0 | 110.9 | V176 K177 T178 E179 V184 A185 | V176-D181 HydrophobicContact CB-CB 4.09Å; V176-D181 HydrophobicContact CG1-CB 3.85Å; V176-D181 HydrophobicContact CG2-CB 3.99Å; K177-D181 PolarHBondContact N-OD2 2.85Å; K177-D181 VanDerWaalsContact N-OD2 3.08Å; T178-D181 PolarHBondContact N-OD2 2.91Å; T178-D181 WeakPolarHBondContact O-CB 3.37Å; T178-D181 PolarHBondContact O-N 3.36Å; T178-D181 VanDerWaalsContact O-N 3.08Å; T178-D181 PolarHBondContact OG1-OD1 3.32Å; T178-D181 PolarHBondContact OG1-OD2 3.44Å; E179-D181 VanDerWaalsContact C-N 3.3Å; E179-D181 PolarHBondContact O-N 3.09Å; D181-V184 PolarHBondContact O-N 2.98Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 3.06Å |
| 182 | S | 86 | Confident | 87.2 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 175.4 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | R171 T178 E179 P180 V184 A185 D186 | R171-S182 VanDerWaalsContact CZ-OG 3.29Å; R171-S182 PolarHBondContact NE-OG 3.37Å; R171-S182 PolarHBondContact NH2-OG 2.98Å; R171-S182 VanDerWaalsContact NH2-OG 3.09Å; T178-S182 PolarHBondContact O-N 3.1Å; T178-S182 VanDerWaalsContact O-N 3.1Å; E179-S182 WeakPolarHBondContact O-CA 3.3Å; E179-S182 VanDerWaalsContact O-CB 3.31Å; E179-S182 WeakPolarHBondContact O-CB 3.42Å; E179-S182 PolarHBondContact O-N 2.99Å; P180-S182 VanDerWaalsContact C-N 3.26Å; P180-S182 PolarHBondContact O-N 3.1Å; S182-V184 VanDerWaalsContact C-N 3.26Å; S182-V184 PolarHBondContact O-N 2.8Å; S182-A185 CarbonylContact O-C 3.59Å; S182-A185 WeakPolarHBondContact O-CB 3.24Å; S182-A185 PolarHBondContact O-N 3.46Å; S182-D186 WeakPolarHBondContact O-CB 3.45Å; S182-D186 PolarHBondContact O-N 3.04Å; S182-D186 VanDerWaalsContact O-OD2 3.09Å; S182-D186 PolarHBondContact OG-OD2 2.88Å |
| 183 | I | 87.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 41% | 0.41 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.5 | -42.1 | 177.2 | -62.6 | 168.6 | 0 | 0 | 0 | 110.8 | E179 P180 D186 C187 L343 | E179-I183 PolarHBondContact O-N 2.92Å; E179-I183 VanDerWaalsContact O-N 3.07Å; P180-I183 PolarHBondContact O-N 3.21Å; I183-D186 PolarHBondContact O-N 2.83Å; I183-C187 WeakPolarHBondContact O-CB 3.31Å; I183-C187 PolarHBondContact O-N 2.97Å; I183-L343 HydrophobicContact CG2-CD1 4.03Å |
| 184 | V | 85.3 | Confident | 87.5 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | P180 D181 S182 D186 C187 V188 C341 L342 F352 | P180-V184 WeakPolarHBondContact O-CG2 3.37Å; P180-V184 PolarHBondContact O-N 3.39Å; P180-V184 VanDerWaalsContact O-N 3.15Å; D181-V184 PolarHBondContact O-N 2.98Å; S182-V184 VanDerWaalsContact C-N 3.26Å; S182-V184 PolarHBondContact O-N 2.8Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.05Å; V184-C187 WeakPolarHBondContact O-CB 3.37Å; V184-C187 PolarHBondContact O-N 2.89Å; V184-V188 HydrophobicContact CG1-CG2 4.37Å; V184-V188 VanDerWaalsContact O-CG2 3.25Å; V184-V188 WeakPolarHBondContact O-CG2 3.33Å; V184-V188 PolarHBondContact O-N 2.88Å; V184-C341 HydrophobicContact CG1-CB 4.35Å; V184-L342 HydrophobicContact CG1-CD2 4.41Å; V184-L342 HydrophobicContact CG2-CD2 4.08Å; V184-F352 HydrophobicContact CG2-CZ 4.2Å |
| 185 | A | 88 | Confident | 87.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R171 L174 V176 D181 S182 V188 A189 | R171-A185 HydrophobicContact CG-CB 3.97Å; L174-A185 HydrophobicContact CD1-CB 3.88Å; V176-A185 HydrophobicContact CG2-CB 3.8Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 3.06Å; S182-A185 CarbonylContact O-C 3.59Å; S182-A185 WeakPolarHBondContact O-CB 3.24Å; S182-A185 PolarHBondContact O-N 3.46Å; A185-V188 PolarHBondContact O-N 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.35Å; A185-A189 PolarHBondContact O-N 3.14Å |
| 186 | D | 90.2 | Very high | 88.1 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 178.1 | -59.7 | -28.2 | 0 | 0 | 0 | 110.7 | R171 S182 I183 V184 A189 S190 | R171-D186 IonicContact CZ-OD1 2.93Å; R171-D186 IonicContact NE-OD1 2.75Å; R171-D186 IonicContact NH2-OD1 2.82Å; R171-D186 PolarHBondContact NH2-OD1 3.13Å; R171-D186 IonicContact NH2-OD2 3.68Å; R171-D186 PolarHBondContact NH2-OD2 3.49Å; S182-D186 WeakPolarHBondContact O-CB 3.45Å; S182-D186 PolarHBondContact O-N 3.04Å; S182-D186 VanDerWaalsContact O-OD2 3.09Å; S182-D186 PolarHBondContact OG-OD2 2.88Å; I183-D186 PolarHBondContact O-N 2.83Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.05Å; D186-A189 WeakPolarHBondContact O-CB 3.34Å; D186-A189 PolarHBondContact O-N 3.44Å; D186-S190 PolarHBondContact O-N 3.4Å |
| 187 | C | 91 | Very high | 88.6 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 169.7 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | I183 V184 A189 S190 K191 C341 | I183-C187 WeakPolarHBondContact O-CB 3.31Å; I183-C187 PolarHBondContact O-N 2.97Å; V184-C187 WeakPolarHBondContact O-CB 3.37Å; V184-C187 PolarHBondContact O-N 2.89Å; C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 3.38Å; C187-S190 WeakPolarHBondContact O-CB 3.31Å; C187-S190 PolarHBondContact O-N 3.16Å; C187-S190 VanDerWaalsContact O-N 3.13Å; C187-S190 PolarHBondContact O-OG 2.81Å; C187-K191 PolarHBondContact O-N 2.97Å; C187-K191 VanDerWaalsContact O-N 3.1Å; C187-C341 HydrophobicContact CB-CB 3.6Å; C187-C341 WeakPolarHBondContact CB-SG 3.18Å; C187-C341 WeakPolarHBondContact SG-CA 3.48Å; C187-C341 WeakPolarHBondContact SG-CB 3.47Å; C187-C341 CovalentContact SG-SG 2.04Å; C187-C341 PolarHBondContact SG-SG 3.37Å |
| 188 | V | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57 | -43.3 | 175.5 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | L170 L174 V184 A185 S190 K191 L192 L328 F337 F338 C341 | L170-V188 HydrophobicContact CD1-CG1 4.15Å; L170-V188 HydrophobicContact CD2-CG1 3.77Å; L174-V188 HydrophobicContact CD1-CB 4.38Å; L174-V188 HydrophobicContact CD1-CG1 4.28Å; L174-V188 HydrophobicContact CD1-CG2 4.42Å; V184-V188 HydrophobicContact CG1-CG2 4.37Å; V184-V188 VanDerWaalsContact O-CG2 3.25Å; V184-V188 WeakPolarHBondContact O-CG2 3.33Å; V184-V188 PolarHBondContact O-N 2.88Å; A185-V188 PolarHBondContact O-N 3.31Å; V188-S190 PolarHBondContact O-N 2.99Å; V188-K191 PolarHBondContact O-N 3.4Å; V188-L192 HydrophobicContact CG1-CD1 4.06Å; V188-L192 HydrophobicContact CG1-CG 4.43Å; V188-L192 WeakPolarHBondContact O-CG 3.27Å; V188-L192 PolarHBondContact O-N 3.3Å; V188-L328 HydrophobicContact CG1-CD2 4.26Å; V188-F337 HydrophobicContact CG1-CE1 4.15Å; V188-F338 HydrophobicContact CG1-CE1 4.27Å; V188-F338 HydrophobicContact CG2-CD1 3.75Å; V188-F338 HydrophobicContact CG2-CE1 3.68Å; V188-C341 HydrophobicContact CG2-CB 4.41Å; V188-C341 PolarHBondContact N-SG 3.07Å |
| 189 | A | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L166 I167 L170 A185 D186 C187 K191 L192 R193 | L166-A189 HydrophobicContact CD2-CB 4.24Å; L166-A189 HydrophobicContact CG-CB 4.22Å; I167-A189 HydrophobicContact CG1-CB 4.24Å; L170-A189 VanDerWaalsContact CD1-CA 3.44Å; L170-A189 HydrophobicContact CD1-CB 3.48Å; L170-A189 VanDerWaalsContact CD1-CB 3.48Å; A185-A189 WeakPolarHBondContact O-CB 3.35Å; A185-A189 PolarHBondContact O-N 3.14Å; D186-A189 WeakPolarHBondContact O-CB 3.34Å; D186-A189 PolarHBondContact O-N 3.44Å; C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 3.38Å; A189-K191 VanDerWaalsContact C-N 3.27Å; A189-K191 PolarHBondContact O-N 3Å; A189-L192 PolarHBondContact O-N 2.97Å; A189-L192 VanDerWaalsContact O-N 3.13Å; A189-R193 WeakPolarHBondContact O-CG 3.47Å; A189-R193 PolarHBondContact O-N 2.98Å |
| 190 | S | 91.8 | Very high | 90 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 46% | 0.462 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 179.1 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | D186 C187 V188 P194 | D186-S190 PolarHBondContact O-N 3.4Å; C187-S190 WeakPolarHBondContact O-CB 3.31Å; C187-S190 PolarHBondContact O-N 3.16Å; C187-S190 VanDerWaalsContact O-N 3.13Å; C187-S190 PolarHBondContact O-OG 2.81Å; V188-S190 PolarHBondContact O-N 2.99Å; S190-P194 WeakPolarHBondContact O-CD 3.39Å |
| 191 | K | 89.7 | Confident | 90.4 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 22% | 0.222 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74.8 | -31.6 | 177.2 | -71.4 | -171.9 | 171.8 | -166.2 | 0 | 113.1 | C187 V188 A189 P194 F337 D340 | C187-K191 PolarHBondContact O-N 2.97Å; C187-K191 VanDerWaalsContact O-N 3.1Å; V188-K191 PolarHBondContact O-N 3.4Å; A189-K191 VanDerWaalsContact C-N 3.27Å; A189-K191 PolarHBondContact O-N 3Å; K191-P194 WeakPolarHBondContact O-CD 3.43Å; K191-F337 HydrophobicContact CB-CE2 3.67Å; K191-F337 HydrophobicContact CB-CZ 3.49Å; K191-F337 VanDerWaalsContact CB-CZ 3.49Å; K191-F337 HydrophobicContact CD-CD2 4.33Å; K191-F337 HydrophobicContact CD-CE2 3.9Å; K191-F337 HydrophobicContact CD-CZ 4.04Å; K191-F337 HydrophobicContact CG-CE2 4.46Å; K191-F337 HydrophobicContact CG-CZ 4.46Å; K191-F337 PolarHBondContact NZ-O 2.84Å; K191-D340 VanDerWaalsContact NZ-CG 3.28Å; K191-D340 IonicContact NZ-OD2 3.3Å; K191-D340 PolarHBondContact NZ-OD2 3.11Å |
| 192 | L | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.6 | -32.5 | 178.1 | -75.2 | -179 | 0 | 0 | 0 | 112.9 | L170 V188 A189 M195 P197 L324 I327 L328 L331 F337 | L170-L192 HydrophobicContact CD1-CD1 4.22Å; L170-L192 HydrophobicContact CD2-CD1 3.9Å; V188-L192 HydrophobicContact CG1-CD1 4.06Å; V188-L192 HydrophobicContact CG1-CG 4.43Å; V188-L192 WeakPolarHBondContact O-CG 3.27Å; V188-L192 PolarHBondContact O-N 3.3Å; A189-L192 PolarHBondContact O-N 2.97Å; A189-L192 VanDerWaalsContact O-N 3.13Å; L192-M195 HydrophobicContact CD2-SD 4.21Å; L192-M195 WeakPolarHBondContact O-CA 3.33Å; L192-M195 WeakPolarHBondContact O-CB 3.35Å; L192-M195 PolarHBondContact O-N 3.47Å; L192-P197 HydrophobicContact CB-CB 4.38Å; L192-P197 HydrophobicContact CB-CG 4.38Å; L192-P197 WeakPolarHBondContact O-CD 3.25Å; L192-L324 HydrophobicContact CD1-CD1 3.83Å; L192-I327 HydrophobicContact CD2-CG2 3.89Å; L192-L328 HydrophobicContact CD1-CD2 3.99Å; L192-L328 HydrophobicContact CD1-CG 4.2Å; L192-L331 HydrophobicContact CD2-CD1 3.41Å; L192-L331 VanDerWaalsContact CD2-CD1 3.41Å; L192-F337 HydrophobicContact CD2-CE1 4.44Å; L192-F337 HydrophobicContact CD2-CZ 3.89Å; L192-F337 HydrophobicContact CG-CZ 4.05Å |
| 193 | R | 91.8 | Very high | 91.3 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -47.6 | -49.4 | -177 | -77.4 | 174 | -168.3 | -133.2 | 5.4 | 113.6 | D163 L166 A189 M195 K196 | D163-R193 IonicContact OD1-NH1 3.57Å; D163-R193 IonicContact OD2-CZ 2.89Å; D163-R193 IonicContact OD2-NH1 2.77Å; D163-R193 PolarHBondContact OD2-NH1 2.76Å; D163-R193 IonicContact OD2-NH2 3.59Å; L166-R193 HydrophobicContact CD2-CG 3.65Å; A189-R193 WeakPolarHBondContact O-CG 3.47Å; A189-R193 PolarHBondContact O-N 2.98Å; R193-M195 PolarHBondContact O-N 3.33Å; R193-K196 PolarHBondContact O-N 2.89Å |
| 194 | P | 91.1 | Very high | 91.5 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 71% | 0.714 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -62.7 | -21.9 | 177.9 | -22.3 | 34.3 | 0 | 0 | 0 | 114.6 | S190 K191 K196 | S190-P194 WeakPolarHBondContact O-CD 3.39Å; K191-P194 WeakPolarHBondContact O-CD 3.43Å; P194-K196 VanDerWaalsContact C-N 3.32Å |
| 195 | M | 90.6 | Very high | 91.8 | Very high | 95 Ų | 95 | 52 Ų | 52 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -85.4 | 0.5 | -178.4 | -54.8 | -175.9 | -175.1 | 0 | 0 | 113.6 | L192 R193 L331 F337 | L192-M195 HydrophobicContact CD2-SD 4.21Å; L192-M195 WeakPolarHBondContact O-CA 3.33Å; L192-M195 WeakPolarHBondContact O-CB 3.35Å; L192-M195 PolarHBondContact O-N 3.47Å; R193-M195 PolarHBondContact O-N 3.33Å; M195-L331 HydrophobicContact SD-CD1 4.11Å; M195-F337 HydrophobicContact CE-CE2 3.87Å |
| 196 | K | 92.3 | Very high | 91.9 | Very high | 154 Ų | 154 | 55.1 Ų | 55.1 | 67% | 0.67 | 28% | 0.279 | S | S | * | . | trans | 51.7 | 68.8 | -174.8 | -60.4 | -175.4 | 178.8 | -175.3 | 0 | 111.8 | R193 P194 F198 D199 | R193-K196 PolarHBondContact O-N 2.89Å; P194-K196 VanDerWaalsContact C-N 3.32Å; K196-F198 PolarHBondContact O-N 2.66Å; K196-D199 PolarHBondContact O-N 2.59Å | ||
| 197 | P | 93.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.8 | -170.2 | 23 | -30.5 | 0 | 0 | 0 | 113.9 | L166 L192 N323 L324 | L166-P197 HydrophobicContact CD1-CB 4.08Å; L166-P197 HydrophobicContact CD1-CG 3.68Å; L166-P197 HydrophobicContact CD2-CG 4.04Å; L166-P197 HydrophobicContact CG-CG 4.47Å; L192-P197 HydrophobicContact CB-CB 4.38Å; L192-P197 HydrophobicContact CB-CG 4.38Å; L192-P197 WeakPolarHBondContact O-CD 3.25Å; P197-N323 PolarHBondContact O-ND2 2.62Å; P197-L324 HydrophobicContact CB-CD1 3.71Å; P197-L324 WeakPolarHBondContact O-CA 3.33Å; P197-L324 PolarHBondContact O-N 3.41Å |
| 198 | F | 95.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 12.5 | 178.2 | -63 | -49.2 | 0 | 0 | 0 | 113.7 | F162 L165 L166 K196 Q200 A201 P202 A320 L324 | F162-F198 HydrophobicContact CB-CD2 4.41Å; F162-F198 HydrophobicContact CD1-CB 4.37Å; F162-F198 AromaticContact CD1-CD2 3.47Å; F162-F198 HydrophobicContact CD1-CD2 3.47Å; F162-F198 VanDerWaalsContact CD1-CD2 3.47Å; F162-F198 AromaticContact CD1-CE2 3.84Å; F162-F198 HydrophobicContact CD1-CE2 3.84Å; F162-F198 HydrophobicContact CD1-CG 4.01Å; F162-F198 HydrophobicContact CE1-CB 4.39Å; F162-F198 HydrophobicContact CE1-CD2 4.19Å; F162-F198 HydrophobicContact CE1-CG 4.28Å; F162-F198 HydrophobicContact CG-CD2 4.37Å; F162-F198 WeakPolarHBondContact O-CE2 3.37Å; L165-F198 HydrophobicContact CB-CE2 4.45Å; L165-F198 HydrophobicContact CB-CZ 4.25Å; L165-F198 HydrophobicContact CD2-CE1 4.32Å; L165-F198 HydrophobicContact CD2-CE2 4.44Å; L165-F198 HydrophobicContact CD2-CZ 4Å; L165-F198 HydrophobicContact CG-CE1 4.48Å; L165-F198 HydrophobicContact CG-CE2 4.47Å; L165-F198 HydrophobicContact CG-CZ 3.87Å; L166-F198 HydrophobicContact CB-CE2 3.75Å; L166-F198 HydrophobicContact CB-CZ 4Å; L166-F198 HydrophobicContact CD1-CE2 4.37Å; L166-F198 HydrophobicContact CD1-CZ 4.26Å; K196-F198 PolarHBondContact O-N 2.66Å; F198-Q200 PolarHBondContact O-N 3.06Å; F198-A201 WeakPolarHBondContact O-CB 3.33Å; F198-A201 PolarHBondContact O-N 2.96Å; F198-P202 HydrophobicContact CB-CG 3.87Å; F198-P202 HydrophobicContact CD2-CG 4.5Å; F198-A320 HydrophobicContact CB-CB 3.96Å; F198-A320 HydrophobicContact CD1-CB 3.78Å; F198-A320 WeakPolarHBondContact CD1-O 3.42Å; F198-A320 HydrophobicContact CG-CB 4.15Å; F198-L324 HydrophobicContact CD1-CB 4.02Å; F198-L324 HydrophobicContact CE1-CB 3.81Å; F198-L324 HydrophobicContact CE1-CD2 3.61Å; F198-L324 HydrophobicContact CE1-CG 4.28Å; F198-L324 HydrophobicContact CZ-CD2 3.98Å |
| 199 | D | 93.5 | Very high | 91.7 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -127.6 | -175.3 | -172.2 | 29.2 | 0 | 0 | 0 | 111.9 | K196 N323 | K196-D199 PolarHBondContact O-N 2.59Å; D199-N323 PolarHBondContact N-ND2 2.78Å |
| 200 | Q | 92.2 | Very high | 91.6 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.3 | -177.2 | -60.6 | -178.9 | 12 | 0 | 0 | 113.3 | F198 E203 I204 | F198-Q200 PolarHBondContact O-N 3.06Å; Q200-E203 PolarHBondContact O-N 3.29Å; Q200-E203 VanDerWaalsContact O-N 3.16Å; Q200-I204 HydrophobicContact CB-CD1 3.71Å; Q200-I204 HydrophobicContact CB-CG1 4.21Å; Q200-I204 VanDerWaalsContact O-CG1 3.31Å; Q200-I204 WeakPolarHBondContact O-CG1 3.33Å; Q200-I204 PolarHBondContact O-N 2.87Å |
| 201 | A | 92 | Very high | 91.4 | Very high | 9 Ų | 9 | 59 Ų | 59 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F162 F198 E203 I204 I205 A320 | F162-A201 HydrophobicContact CZ-CB 4.38Å; F198-A201 WeakPolarHBondContact O-CB 3.33Å; F198-A201 PolarHBondContact O-N 2.96Å; A201-E203 PolarHBondContact O-N 3.28Å; A201-I204 PolarHBondContact O-N 3.46Å; A201-I205 WeakPolarHBondContact O-CB 3.43Å; A201-I205 WeakPolarHBondContact O-CG1 3.35Å; A201-I205 PolarHBondContact O-N 2.94Å; A201-A320 HydrophobicContact CB-CB 3.62Å |
| 202 | P | 94 | Very high | 91.3 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.8 | -21.8 | 33 | 0 | 0 | 0 | 113 | F162 F198 R206 | F162-P202 HydrophobicContact CB-CB 4.41Å; F162-P202 HydrophobicContact CB-CG 4.31Å; F162-P202 HydrophobicContact CD1-CB 4.38Å; F162-P202 HydrophobicContact CD1-CG 3.76Å; F162-P202 HydrophobicContact CD2-CB 3.66Å; F162-P202 HydrophobicContact CD2-CG 3.97Å; F162-P202 HydrophobicContact CE1-CG 4Å; F162-P202 VanDerWaalsContact CE2-CA 3.48Å; F162-P202 HydrophobicContact CE2-CB 3.99Å; F162-P202 HydrophobicContact CE2-CG 4.24Å; F162-P202 HydrophobicContact CG-CB 3.88Å; F162-P202 HydrophobicContact CG-CG 3.73Å; F162-P202 HydrophobicContact CZ-CB 4.45Å; F162-P202 HydrophobicContact CZ-CG 4.23Å; F198-P202 HydrophobicContact CB-CG 3.87Å; F198-P202 HydrophobicContact CD2-CG 4.5Å; P202-R206 WeakPolarHBondContact O-CB 3.44Å; P202-R206 PolarHBondContact O-N 2.94Å |
| 203 | E | 92.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 178 | -173.9 | 67.1 | -127 | 0 | 0 | 111.5 | Q200 A201 I205 R206 V207 | Q200-E203 PolarHBondContact O-N 3.29Å; Q200-E203 VanDerWaalsContact O-N 3.16Å; A201-E203 PolarHBondContact O-N 3.28Å; E203-I205 PolarHBondContact O-N 3.47Å; E203-R206 PolarHBondContact O-N 3.42Å; E203-R206 IonicContact OE1-CZ 2.89Å; E203-R206 IonicContact OE1-NE 3.27Å; E203-R206 IonicContact OE1-NH2 3.94Å; E203-R206 PolarHBondContact OE1-NH2 3.3Å; E203-R206 IonicContact OE2-CZ 3.66Å; E203-R206 IonicContact OE2-NH1 2.82Å; E203-R206 IonicContact OE2-NH2 3.62Å; E203-R206 PolarHBondContact OE2-NH2 2.76Å; E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 2.98Å |
| 204 | I | 90.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | -178.8 | -67.7 | 164.7 | 0 | 0 | 0 | 109.8 | Q200 A201 R206 V207 M208 | Q200-I204 HydrophobicContact CB-CD1 3.71Å; Q200-I204 HydrophobicContact CB-CG1 4.21Å; Q200-I204 VanDerWaalsContact O-CG1 3.31Å; Q200-I204 WeakPolarHBondContact O-CG1 3.33Å; Q200-I204 PolarHBondContact O-N 2.87Å; A201-I204 PolarHBondContact O-N 3.46Å; I204-R206 VanDerWaalsContact C-N 3.35Å; I204-R206 PolarHBondContact O-N 2.9Å; I204-V207 PolarHBondContact O-N 2.9Å; I204-M208 HydrophobicContact CG2-CE 3.66Å; I204-M208 HydrophobicContact CG2-CG 4.44Å; I204-M208 HydrophobicContact CG2-SD 4.05Å; I204-M208 VanDerWaalsContact O-CB 3.29Å; I204-M208 WeakPolarHBondContact O-CB 3.5Å; I204-M208 VanDerWaalsContact O-CG 3.22Å; I204-M208 WeakPolarHBondContact O-CG 3.2Å; I204-M208 PolarHBondContact O-N 2.81Å |
| 205 | I | 91.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 178.9 | -71.4 | 163 | 0 | 0 | 0 | 111.4 | V158 F162 A201 E203 M208 A209 L313 H316 I317 | V158-I205 HydrophobicContact CG1-CB 4.3Å; V158-I205 HydrophobicContact CG1-CG2 3.81Å; V158-I205 HydrophobicContact CG2-CG2 4.14Å; F162-I205 HydrophobicContact CE2-CB 4.2Å; F162-I205 HydrophobicContact CE2-CD1 3.93Å; F162-I205 HydrophobicContact CE2-CG2 4.37Å; F162-I205 HydrophobicContact CZ-CD1 3.55Å; A201-I205 WeakPolarHBondContact O-CB 3.43Å; A201-I205 WeakPolarHBondContact O-CG1 3.35Å; A201-I205 PolarHBondContact O-N 2.94Å; E203-I205 PolarHBondContact O-N 3.47Å; I205-M208 HydrophobicContact CB-CE 4.19Å; I205-M208 HydrophobicContact CG1-CE 3.54Å; I205-M208 WeakPolarHBondContact O-CB 3.46Å; I205-M208 PolarHBondContact O-N 2.93Å; I205-A209 WeakPolarHBondContact O-CB 3.34Å; I205-A209 PolarHBondContact O-N 3.01Å; I205-L313 HydrophobicContact CD1-CD1 3.73Å; I205-L313 HydrophobicContact CG1-CD1 3.85Å; I205-L313 HydrophobicContact CG2-CD1 3.93Å; I205-H316 HydrophobicContact CD1-CB 3.77Å; I205-H316 HydrophobicContact CG1-CB 4.17Å; I205-I317 HydrophobicContact CD1-CG1 3.86Å |
| 206 | R | 91.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 174.6 | -175.5 | 173.8 | 66.9 | -146.1 | 10.5 | 111.9 | A155 V158 D159 P202 E203 I204 M208 A209 T210 | A155-R206 HydrophobicContact CB-CG 3.8Å; V158-R206 HydrophobicContact CG1-CB 4.15Å; D159-R206 IonicContact OD1-NH1 3.06Å; D159-R206 PolarHBondContact OD1-NH1 3.35Å; P202-R206 WeakPolarHBondContact O-CB 3.44Å; P202-R206 PolarHBondContact O-N 2.94Å; E203-R206 PolarHBondContact O-N 3.42Å; E203-R206 IonicContact OE1-CZ 2.89Å; E203-R206 IonicContact OE1-NE 3.27Å; E203-R206 IonicContact OE1-NH2 3.94Å; E203-R206 PolarHBondContact OE1-NH2 3.3Å; E203-R206 IonicContact OE2-CZ 3.66Å; E203-R206 IonicContact OE2-NH1 2.82Å; E203-R206 IonicContact OE2-NH2 3.62Å; E203-R206 PolarHBondContact OE2-NH2 2.76Å; I204-R206 VanDerWaalsContact C-N 3.35Å; I204-R206 PolarHBondContact O-N 2.9Å; R206-M208 VanDerWaalsContact C-N 3.29Å; R206-M208 PolarHBondContact O-N 2.96Å; R206-A209 PolarHBondContact O-N 3.36Å; R206-T210 HydrophobicContact CG-CG2 4.49Å; R206-T210 WeakPolarHBondContact O-CG2 3.39Å; R206-T210 PolarHBondContact O-N 3.45Å; R206-T210 PolarHBondContact O-OG1 3.48Å; R206-T210 VanDerWaalsContact O-OG1 3.07Å |
| 207 | V | 89.3 | Confident | 91.2 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -38.6 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | E203 I204 T210 R211 | E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 2.98Å; I204-V207 PolarHBondContact O-N 2.9Å; V207-T210 WeakPolarHBondContact CA-OG1 3.41Å; V207-T210 PolarHBondContact O-OG1 3.36Å; V207-T210 VanDerWaalsContact O-OG1 3.09Å; V207-R211 WeakPolarHBondContact O-CB 3.4Å; V207-R211 VanDerWaalsContact O-CG 3.26Å; V207-R211 WeakPolarHBondContact O-CG 3.45Å; V207-R211 PolarHBondContact O-N 3.43Å; V207-R211 VanDerWaalsContact O-N 3.16Å |
| 208 | M | 88.3 | Confident | 91.1 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 16% | 0.163 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.9 | -80.7 | -171 | -49 | 0 | 0 | 111.5 | I204 I205 R206 R211 A212 P307 | I204-M208 HydrophobicContact CG2-CE 3.66Å; I204-M208 HydrophobicContact CG2-CG 4.44Å; I204-M208 HydrophobicContact CG2-SD 4.05Å; I204-M208 VanDerWaalsContact O-CB 3.29Å; I204-M208 WeakPolarHBondContact O-CB 3.5Å; I204-M208 VanDerWaalsContact O-CG 3.22Å; I204-M208 WeakPolarHBondContact O-CG 3.2Å; I204-M208 PolarHBondContact O-N 2.81Å; I205-M208 HydrophobicContact CB-CE 4.19Å; I205-M208 HydrophobicContact CG1-CE 3.54Å; I205-M208 WeakPolarHBondContact O-CB 3.46Å; I205-M208 PolarHBondContact O-N 2.93Å; R206-M208 VanDerWaalsContact C-N 3.29Å; R206-M208 PolarHBondContact O-N 2.96Å; M208-R211 PolarHBondContact O-N 2.95Å; M208-A212 VanDerWaalsContact O-CB 3.25Å; M208-A212 WeakPolarHBondContact O-CB 3.28Å; M208-A212 PolarHBondContact O-N 3.17Å; M208-P307 HydrophobicContact CB-CB 4.49Å; M208-P307 HydrophobicContact CB-CG 3.51Å; M208-P307 HydrophobicContact CE-CB 4.22Å; M208-P307 HydrophobicContact CE-CG 4.34Å; M208-P307 HydrophobicContact CG-CB 4.34Å; M208-P307 HydrophobicContact CG-CG 3.74Å; M208-P307 HydrophobicContact SD-CB 3.48Å; M208-P307 WeakPolarHBondContact SD-CB 3.3Å; M208-P307 HydrophobicContact SD-CG 3.56Å; M208-P307 VanDerWaalsContact SD-CG 3.56Å |
| 209 | A | 90 | Very high | 91 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 7% | 0.066 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I154 V158 I205 R206 R211 A212 F213 P214 | I154-A209 HydrophobicContact CD1-CB 4.32Å; I154-A209 HydrophobicContact CG1-CB 3.59Å; V158-A209 HydrophobicContact CG2-CB 4.03Å; I205-A209 WeakPolarHBondContact O-CB 3.34Å; I205-A209 PolarHBondContact O-N 3.01Å; R206-A209 PolarHBondContact O-N 3.36Å; A209-R211 VanDerWaalsContact C-N 3.25Å; A209-R211 PolarHBondContact O-N 3.33Å; A209-A212 PolarHBondContact O-N 3.25Å; A209-F213 HydrophobicContact CB-CD2 4.19Å; A209-F213 HydrophobicContact CB-CE2 4.38Å; A209-F213 WeakPolarHBondContact O-CD2 3.23Å; A209-F213 PolarHBondContact O-N 2.94Å; A209-P214 WeakPolarHBondContact O-CD 3.47Å |
| 210 | T | 89.4 | Confident | 90.9 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 18% | 0.184 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.1 | -22.7 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | I154 R206 V207 P214 | I154-T210 HydrophobicContact CG2-CG2 3.65Å; R206-T210 HydrophobicContact CG-CG2 4.49Å; R206-T210 WeakPolarHBondContact O-CG2 3.39Å; R206-T210 PolarHBondContact O-N 3.45Å; R206-T210 PolarHBondContact O-OG1 3.48Å; R206-T210 VanDerWaalsContact O-OG1 3.07Å; V207-T210 WeakPolarHBondContact CA-OG1 3.41Å; V207-T210 PolarHBondContact O-OG1 3.36Å; V207-T210 VanDerWaalsContact O-OG1 3.09Å; T210-P214 VanDerWaalsContact O-CD 3.24Å; T210-P214 WeakPolarHBondContact O-CD 3.3Å; T210-P214 WeakPolarHBondContact O-CG 3.2Å |
| 211 | R | 87.5 | Confident | 90.9 | Very high | 111 Ų | 111 | 26.3 Ų | 26.3 | 42% | 0.419 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -85.4 | -33.8 | 171.7 | -72 | 175.5 | 178.2 | 176.5 | 3.4 | 112.8 | V207 M208 A209 P215 | V207-R211 WeakPolarHBondContact O-CB 3.4Å; V207-R211 VanDerWaalsContact O-CG 3.26Å; V207-R211 WeakPolarHBondContact O-CG 3.45Å; V207-R211 PolarHBondContact O-N 3.43Å; V207-R211 VanDerWaalsContact O-N 3.16Å; M208-R211 PolarHBondContact O-N 2.95Å; A209-R211 VanDerWaalsContact C-N 3.25Å; A209-R211 PolarHBondContact O-N 3.33Å; R211-P215 WeakPolarHBondContact O-CD 3.31Å; R211-P215 WeakPolarHBondContact O-CG 3.49Å |
| 212 | A | 87.6 | Confident | 91 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -81.7 | -51.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M208 A209 I305 | M208-A212 VanDerWaalsContact O-CB 3.25Å; M208-A212 WeakPolarHBondContact O-CB 3.28Å; M208-A212 PolarHBondContact O-N 3.17Å; A209-A212 PolarHBondContact O-N 3.25Å; A212-I305 HydrophobicContact CB-CG2 4.19Å; A212-I305 WeakPolarHBondContact CB-O 3.39Å |
| 213 | F | 90.5 | Very high | 91 | Very high | 22 Ų | 22 | 24.6 Ų | 24.6 | 10% | 0.096 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -83 | -45.8 | -166.3 | -70.5 | -111.3 | 0 | 0 | 0 | 113.5 | L110 L143 Y146 M147 I154 A209 S216 R217 | L110-F213 HydrophobicContact CD1-CE1 4.26Å; L110-F213 HydrophobicContact CD2-CE1 4.05Å; L110-F213 HydrophobicContact CD2-CZ 3.83Å; L143-F213 HydrophobicContact CB-CE1 3.94Å; L143-F213 HydrophobicContact CB-CZ 4.27Å; L143-F213 HydrophobicContact CD1-CZ 4.11Å; L143-F213 HydrophobicContact CD2-CE1 4.14Å; L143-F213 HydrophobicContact CD2-CZ 4.04Å; L143-F213 HydrophobicContact CG-CE1 4.46Å; L143-F213 HydrophobicContact CG-CZ 4.38Å; Y146-F213 HydrophobicContact CD1-CB 3.93Å; Y146-F213 HydrophobicContact CD1-CD1 4Å; Y146-F213 HydrophobicContact CD1-CG 4.37Å; Y146-F213 HydrophobicContact CE1-CB 3.49Å; Y146-F213 VanDerWaalsContact CE1-CB 3.49Å; Y146-F213 HydrophobicContact CE1-CD1 4.43Å; Y146-F213 HydrophobicContact CE1-CG 4.38Å; M147-F213 HydrophobicContact CG-CD1 3.5Å; M147-F213 HydrophobicContact CG-CE1 3.8Å; M147-F213 HydrophobicContact SD-CB 3.9Å; M147-F213 HydrophobicContact SD-CD1 3.3Å; M147-F213 WeakPolarHBondContact SD-CD1 3.29Å; M147-F213 HydrophobicContact SD-CE1 4.1Å; M147-F213 HydrophobicContact SD-CG 3.94Å; I154-F213 HydrophobicContact CD1-CD1 4.38Å; I154-F213 HydrophobicContact CD1-CD2 4.47Å; I154-F213 HydrophobicContact CD1-CG 4.27Å; I154-F213 HydrophobicContact CG1-CB 4.49Å; I154-F213 HydrophobicContact CG1-CG 4.48Å; A209-F213 HydrophobicContact CB-CD2 4.19Å; A209-F213 HydrophobicContact CB-CE2 4.38Å; A209-F213 WeakPolarHBondContact O-CD2 3.23Å; A209-F213 PolarHBondContact O-N 2.94Å; F213-S216 PolarHBondContact O-N 3.45Å; F213-R217 WeakPolarHBondContact O-CB 3.43Å; F213-R217 PolarHBondContact O-N 2.94Å |
| 214 | P | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.9 | -47 | -177.9 | -27.3 | 35.7 | 0 | 0 | 0 | 115.2 | Y146 A209 T210 R217 I218 V478 S483 P485 | Y146-P214 WeakPolarHBondContact OH-CG 3.22Å; A209-P214 WeakPolarHBondContact O-CD 3.47Å; T210-P214 VanDerWaalsContact O-CD 3.24Å; T210-P214 WeakPolarHBondContact O-CD 3.3Å; T210-P214 WeakPolarHBondContact O-CG 3.2Å; P214-R217 PolarHBondContact O-N 3.26Å; P214-I218 WeakPolarHBondContact O-CG2 3.32Å; P214-I218 PolarHBondContact O-N 2.99Å; P214-V478 HydrophobicContact CB-CG1 3.87Å; P214-S483 WeakPolarHBondContact CB-O 3.17Å; P214-P485 HydrophobicContact CB-CG 4.48Å |
| 215 | P | 91.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.013 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | -179.9 | -24 | 36.7 | 0 | 0 | 0 | 112.9 | R211 R217 I218 L219 V296 L300 V478 | R211-P215 WeakPolarHBondContact O-CD 3.31Å; R211-P215 WeakPolarHBondContact O-CG 3.49Å; P215-R217 PolarHBondContact O-N 3.41Å; P215-I218 WeakPolarHBondContact O-CG2 3.32Å; P215-I218 PolarHBondContact O-N 3.4Å; P215-L219 VanDerWaalsContact O-CB 3.31Å; P215-L219 WeakPolarHBondContact O-CB 3.41Å; P215-L219 PolarHBondContact O-N 3.46Å; P215-V296 HydrophobicContact CB-CG1 4Å; P215-V296 WeakPolarHBondContact O-CG1 3.3Å; P215-L300 HydrophobicContact CB-CD2 3.81Å; P215-V478 HydrophobicContact CB-CG1 4.27Å; P215-V478 HydrophobicContact CG-CG1 3.89Å |
| 216 | S | 90.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | L102 M106 F213 L219 R220 L300 | L102-S216 VanDerWaalsContact CD2-O 3.28Å; L102-S216 WeakPolarHBondContact CD2-O 3.46Å; M106-S216 PolarHBondContact SD-OG 3.44Å; F213-S216 PolarHBondContact O-N 3.45Å; S216-L219 PolarHBondContact O-N 3.05Å; S216-R220 PolarHBondContact O-N 2.99Å; S216-L300 WeakPolarHBondContact OG-CD2 3.24Å |
| 217 | R | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 178.4 | 178 | -178.2 | 174.3 | 164.6 | 3.8 | 111.7 | Y146 M147 G149 R151 F213 P214 P215 L219 R220 N221 | Y146-R217 VanDerWaalsContact CZ-NH1 3.33Å; Y146-R217 WeakPolarHBondContact O-CD 3.26Å; Y146-R217 VanDerWaalsContact O-CZ 3.22Å; Y146-R217 PolarHBondContact O-NE 3.15Å; Y146-R217 PolarHBondContact O-NH1 2.77Å; Y146-R217 VanDerWaalsContact O-NH1 3.08Å; M147-R217 HydrophobicContact CE-CB 4.29Å; M147-R217 HydrophobicContact SD-CB 4.44Å; G149-R217 VanDerWaalsContact CA-NH2 3.26Å; G149-R217 PolarHBondContact O-NH2 3.5Å; R151-R217 VanDerWaalsContact O-CZ 3.24Å; R151-R217 PolarHBondContact O-NH1 2.89Å; R151-R217 PolarHBondContact O-NH2 3.43Å; F213-R217 WeakPolarHBondContact O-CB 3.43Å; F213-R217 PolarHBondContact O-N 2.94Å; P214-R217 PolarHBondContact O-N 3.26Å; P215-R217 PolarHBondContact O-N 3.41Å; R217-L219 VanDerWaalsContact C-N 3.34Å; R217-R220 PolarHBondContact O-N 3.48Å; R217-N221 WeakPolarHBondContact O-CB 3.31Å; R217-N221 VanDerWaalsContact O-CG 3.23Å; R217-N221 PolarHBondContact O-N 3.48Å |
| 218 | I | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.1 | -33 | -177.6 | -164.3 | 60.6 | 0 | 0 | 0 | 111.9 | P214 P215 N221 G222 V296 I471 I474 M475 V478 P485 I488 | P214-I218 WeakPolarHBondContact O-CG2 3.32Å; P214-I218 PolarHBondContact O-N 2.99Å; P215-I218 WeakPolarHBondContact O-CG2 3.32Å; P215-I218 PolarHBondContact O-N 3.4Å; I218-N221 PolarHBondContact O-N 2.93Å; I218-G222 WeakPolarHBondContact O-CA 3.31Å; I218-G222 PolarHBondContact O-N 2.88Å; I218-V296 HydrophobicContact CG2-CG1 4.17Å; I218-V296 HydrophobicContact CG2-CG2 4.4Å; I218-I471 HydrophobicContact CD1-CD1 4.47Å; I218-I471 HydrophobicContact CD1-CG1 4.01Å; I218-I474 HydrophobicContact CD1-CB 4.15Å; I218-I474 HydrophobicContact CD1-CG2 3.48Å; I218-I474 VanDerWaalsContact CD1-CG2 3.48Å; I218-I474 HydrophobicContact CG1-CG2 3.91Å; I218-M475 HydrophobicContact CG1-CB 4.47Å; I218-M475 HydrophobicContact CG1-CE 4.48Å; I218-M475 HydrophobicContact CG1-CG 3.56Å; I218-M475 HydrophobicContact CG2-CG 4.19Å; I218-M475 WeakPolarHBondContact O-CE 3.46Å; I218-V478 HydrophobicContact CB-CG2 4.39Å; I218-V478 HydrophobicContact CG2-CB 4.19Å; I218-V478 HydrophobicContact CG2-CG1 4.03Å; I218-V478 HydrophobicContact CG2-CG2 4.14Å; I218-P485 HydrophobicContact CB-CG 4.48Å; I218-P485 HydrophobicContact CD1-CB 4.36Å; I218-I488 HydrophobicContact CD1-CD1 3.65Å |
| 219 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 174.2 | -179.5 | 55 | 0 | 0 | 0 | 111.2 | L102 P215 S216 R217 N221 G222 L223 I293 V296 A297 L300 W393 | L102-L219 HydrophobicContact CD2-CB 3.81Å; L102-L219 HydrophobicContact CD2-CD2 3.79Å; L102-L219 HydrophobicContact CD2-CG 3.76Å; P215-L219 VanDerWaalsContact O-CB 3.31Å; P215-L219 WeakPolarHBondContact O-CB 3.41Å; P215-L219 PolarHBondContact O-N 3.46Å; S216-L219 PolarHBondContact O-N 3.05Å; R217-L219 VanDerWaalsContact C-N 3.34Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.48Å; L219-G222 WeakPolarHBondContact O-CA 3.43Å; L219-G222 PolarHBondContact O-N 3.2Å; L219-G222 VanDerWaalsContact O-N 3.15Å; L219-L223 HydrophobicContact CD1-CD1 4.2Å; L219-L223 HydrophobicContact CD1-CG 4.22Å; L219-L223 HydrophobicContact CG-CD1 4.12Å; L219-L223 VanDerWaalsContact O-CG 3.32Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.88Å; L219-I293 HydrophobicContact CD1-CB 4.34Å; L219-I293 HydrophobicContact CD1-CD1 3.79Å; L219-I293 HydrophobicContact CD1-CG2 3.86Å; L219-V296 HydrophobicContact CB-CB 4.36Å; L219-V296 HydrophobicContact CB-CG1 3.74Å; L219-V296 HydrophobicContact CD1-CB 4.38Å; L219-V296 HydrophobicContact CD2-CG1 4.41Å; L219-V296 HydrophobicContact CG-CG1 4.5Å; L219-A297 HydrophobicContact CD2-CB 3.94Å; L219-L300 HydrophobicContact CD2-CD1 3.6Å; L219-W393 HydrophobicContact CD2-CH2 3.75Å; L219-W393 HydrophobicContact CD2-CZ3 4.07Å |
| 220 | R | 92.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 12% | 0.117 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -54.1 | -50.5 | 174.4 | 177.1 | -164 | 169.1 | -88.4 | 1.6 | 111 | A99 L102 S216 R217 G222 L223 L224 | A99-R220 HydrophobicContact CB-CG 4.47Å; L102-R220 HydrophobicContact CD2-CB 4.15Å; S216-R220 PolarHBondContact O-N 2.99Å; R217-R220 PolarHBondContact O-N 3.48Å; R220-G222 VanDerWaalsContact C-N 3.28Å; R220-G222 PolarHBondContact O-N 3.39Å; R220-L223 PolarHBondContact O-N 3.3Å; R220-L224 HydrophobicContact CG-CD1 4.27Å; R220-L224 WeakPolarHBondContact O-CG 3.39Å; R220-L224 PolarHBondContact O-N 3.04Å |
| 221 | N | 91.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | -179.5 | -70 | -8.7 | 0 | 0 | 0 | 111.7 | R217 I218 L219 L224 L225 I471 I490 | R217-N221 WeakPolarHBondContact O-CB 3.31Å; R217-N221 VanDerWaalsContact O-CG 3.23Å; R217-N221 PolarHBondContact O-N 3.48Å; I218-N221 PolarHBondContact O-N 2.93Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.48Å; N221-L224 PolarHBondContact O-N 3.4Å; N221-L225 WeakPolarHBondContact O-CB 2.88Å; N221-L225 PolarHBondContact O-N 3.44Å; N221-I471 HydrophobicContact CB-CD1 4.42Å; N221-I490 HydrophobicContact CB-CD1 3.97Å; N221-I490 VanDerWaalsContact O-CD1 3.25Å; N221-I490 WeakPolarHBondContact O-CD1 3.47Å |
| 222 | G | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -53.3 | -58.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I218 L219 R220 L224 L225 G226 F289 | I218-G222 WeakPolarHBondContact O-CA 3.31Å; I218-G222 PolarHBondContact O-N 2.88Å; L219-G222 WeakPolarHBondContact O-CA 3.43Å; L219-G222 PolarHBondContact O-N 3.2Å; L219-G222 VanDerWaalsContact O-N 3.15Å; R220-G222 VanDerWaalsContact C-N 3.28Å; R220-G222 PolarHBondContact O-N 3.39Å; G222-L224 VanDerWaalsContact C-N 3.33Å; G222-L224 PolarHBondContact O-N 3.42Å; G222-L225 PolarHBondContact O-N 2.93Å; G222-L225 VanDerWaalsContact O-N 3.15Å; G222-G226 PolarHBondContact O-N 3.45Å; G222-F289 WeakPolarHBondContact O-CZ 3.32Å |
| 223 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.5 | -45 | -179.4 | -68.1 | 167.7 | 0 | 0 | 0 | 111.6 | L95 D98 A99 L219 R220 G226 D227 I293 W393 Y401 | L95-L223 HydrophobicContact CD2-CD2 3.63Å; D98-L223 HydrophobicContact CB-CD1 3.91Å; D98-L223 HydrophobicContact CB-CD2 4.44Å; A99-L223 HydrophobicContact CB-CB 3.78Å; A99-L223 HydrophobicContact CB-CD1 4.45Å; L219-L223 HydrophobicContact CD1-CD1 4.2Å; L219-L223 HydrophobicContact CD1-CG 4.22Å; L219-L223 HydrophobicContact CG-CD1 4.12Å; L219-L223 VanDerWaalsContact O-CG 3.32Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.88Å; R220-L223 PolarHBondContact O-N 3.3Å; L223-G226 PolarHBondContact O-N 2.97Å; L223-D227 PolarHBondContact O-N 3.17Å; L223-I293 HydrophobicContact CD2-CD1 4.16Å; L223-I293 HydrophobicContact CD2-CG2 3.93Å; L223-I293 HydrophobicContact CG-CD1 4.17Å; L223-W393 HydrophobicContact CD1-CZ2 4.5Å; L223-Y401 HydrophobicContact CD2-CE2 4.21Å |
| 224 | L | 93.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 11.3 Ų | 11.3 | 13% | 0.131 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 176 | -71.7 | 175.5 | 0 | 0 | 0 | 113.4 | A99 R220 N221 G222 D227 R228 I490 | A99-L224 HydrophobicContact CB-CD2 3.67Å; A99-L224 HydrophobicContact CB-CG 3.67Å; R220-L224 HydrophobicContact CG-CD1 4.27Å; R220-L224 WeakPolarHBondContact O-CG 3.39Å; R220-L224 PolarHBondContact O-N 3.04Å; N221-L224 PolarHBondContact O-N 3.4Å; G222-L224 VanDerWaalsContact C-N 3.33Å; G222-L224 PolarHBondContact O-N 3.42Å; L224-D227 PolarHBondContact O-N 3.06Å; L224-R228 PolarHBondContact O-N 3.12Å; L224-I490 HydrophobicContact CB-CD1 3.43Å; L224-I490 VanDerWaalsContact CB-CD1 3.43Å; L224-I490 HydrophobicContact CB-CG2 4.33Å; L224-I490 HydrophobicContact CD1-CD1 3.99Å; L224-I490 HydrophobicContact CG-CD1 4.36Å |
| 225 | L | 92.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 15.9 Ų | 15.9 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 172.9 | -178.3 | 70.2 | 0 | 0 | 0 | 110.3 | N221 G222 D227 R228 V229 D467 I471 | N221-L225 WeakPolarHBondContact O-CB 2.88Å; N221-L225 PolarHBondContact O-N 3.44Å; G222-L225 PolarHBondContact O-N 2.93Å; G222-L225 VanDerWaalsContact O-N 3.15Å; L225-D227 VanDerWaalsContact C-N 3.31Å; L225-D227 PolarHBondContact O-N 2.63Å; L225-R228 WeakPolarHBondContact O-CB 3.46Å; L225-R228 PolarHBondContact O-N 3.14Å; L225-V229 HydrophobicContact CG-CG2 4.36Å; L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.47Å; L225-V229 PolarHBondContact O-N 3.42Å; L225-D467 HydrophobicContact CD1-CB 4.14Å; L225-D467 HydrophobicContact CD2-CB 4.17Å; L225-D467 WeakPolarHBondContact CD2-O 3.39Å; L225-I471 HydrophobicContact CB-CD1 3.98Å; L225-I471 HydrophobicContact CD2-CB 3.77Å; L225-I471 HydrophobicContact CD2-CD1 3.73Å; L225-I471 HydrophobicContact CD2-CG1 4.38Å; L225-I471 HydrophobicContact CD2-CG2 3.54Å |
| 226 | G | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.7 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G222 L223 V229 V230 | G222-G226 PolarHBondContact O-N 3.45Å; L223-G226 PolarHBondContact O-N 2.97Å; G226-V229 PolarHBondContact O-N 2.94Å; G226-V230 WeakPolarHBondContact O-CB 3.47Å; G226-V230 VanDerWaalsContact O-CG2 3.28Å; G226-V230 WeakPolarHBondContact O-CG2 3.43Å; G226-V230 PolarHBondContact O-N 2.99Å |
| 227 | D | 94.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.3 | -51.2 | 174.4 | 175 | 26.7 | 0 | 0 | 0 | 110.9 | S92 L95 R96 L223 L224 L225 V229 V230 Q231 | S92-D227 VanDerWaalsContact CB-OD1 3.22Å; S92-D227 WeakPolarHBondContact CB-OD1 3.45Å; S92-D227 PolarHBondContact OG-OD1 3.38Å; L95-D227 HydrophobicContact CB-CB 4.01Å; R96-D227 IonicContact CZ-OD2 3.45Å; R96-D227 IonicContact NE-OD2 3.91Å; R96-D227 PolarHBondContact NE-OD2 3.21Å; R96-D227 IonicContact NH2-OD1 3.7Å; R96-D227 IonicContact NH2-OD2 3.47Å; R96-D227 PolarHBondContact NH2-OD2 2.92Å; L223-D227 PolarHBondContact O-N 3.17Å; L224-D227 PolarHBondContact O-N 3.06Å; L225-D227 VanDerWaalsContact C-N 3.31Å; L225-D227 PolarHBondContact O-N 2.63Å; D227-V229 VanDerWaalsContact C-N 3.34Å; D227-V229 PolarHBondContact O-N 3.02Å; D227-V230 PolarHBondContact O-N 3.1Å; D227-Q231 WeakPolarHBondContact O-CG 3.21Å; D227-Q231 PolarHBondContact O-N 3.42Å; D227-Q231 PolarHBondContact OD1-NE2 3.48Å; D227-Q231 PolarHBondContact OD2-NE2 3.49Å |
| 228 | R | 91.2 | Very high | 88.8 | Confident | 73 Ų | 73 | 20 Ų | 20 | 28% | 0.275 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 177 | -179 | -170.9 | -67.3 | -174.7 | -6.8 | 112.2 | L224 L225 V230 Q231 V232 E491 | L224-R228 PolarHBondContact O-N 3.12Å; L225-R228 WeakPolarHBondContact O-CB 3.46Å; L225-R228 PolarHBondContact O-N 3.14Å; R228-V230 VanDerWaalsContact C-N 3.32Å; R228-V230 PolarHBondContact O-N 2.73Å; R228-Q231 PolarHBondContact O-N 3.1Å; R228-V232 WeakPolarHBondContact O-CG2 3.47Å; R228-V232 PolarHBondContact O-N 3.06Å; R228-E491 PolarHBondContact NH2-O 3.19Å |
| 229 | V | 91.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 178 | 164.4 | 0 | 0 | 0 | 0 | 110.3 | L225 G226 D227 V232 L233 F282 W286 V464 L468 | L225-V229 HydrophobicContact CG-CG2 4.36Å; L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.47Å; L225-V229 PolarHBondContact O-N 3.42Å; G226-V229 PolarHBondContact O-N 2.94Å; D227-V229 VanDerWaalsContact C-N 3.34Å; D227-V229 PolarHBondContact O-N 3.02Å; V229-V232 WeakPolarHBondContact O-CB 3.26Å; V229-V232 PolarHBondContact O-N 3.32Å; V229-L233 HydrophobicContact CG1-CD1 4.05Å; V229-L233 HydrophobicContact CG1-CG 4.41Å; V229-L233 VanDerWaalsContact O-CG 3.32Å; V229-L233 WeakPolarHBondContact O-CG 3.28Å; V229-L233 PolarHBondContact O-N 2.84Å; V229-F282 HydrophobicContact CG1-CZ 4.01Å; V229-W286 HydrophobicContact CB-CZ3 4.38Å; V229-W286 HydrophobicContact CG1-CE3 4.32Å; V229-W286 HydrophobicContact CG1-CZ3 3.86Å; V229-V464 HydrophobicContact CB-CG1 4.13Å; V229-V464 HydrophobicContact CG1-CG1 3.35Å; V229-V464 HydrophobicContact CG2-CG1 3.76Å; V229-L468 HydrophobicContact CG1-CD1 4.43Å; V229-L468 HydrophobicContact CG2-CD2 4.15Å; V229-L468 HydrophobicContact CG2-CG 4.36Å |
| 230 | V | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | W88 I91 L95 G226 D227 R228 V232 L233 S234 W286 | W88-V230 HydrophobicContact CB-CG1 3.91Å; W88-V230 HydrophobicContact CE3-CG1 3.87Å; W88-V230 HydrophobicContact CE3-CG2 4.25Å; W88-V230 HydrophobicContact CZ3-CG2 4.44Å; W88-V230 WeakPolarHBondContact O-CG1 3.45Å; I91-V230 HydrophobicContact CB-CG1 4.16Å; I91-V230 HydrophobicContact CB-CG2 4.5Å; I91-V230 HydrophobicContact CG2-CG1 4.4Å; I91-V230 HydrophobicContact CG2-CG2 3.88Å; L95-V230 HydrophobicContact CD1-CG2 4.09Å; G226-V230 WeakPolarHBondContact O-CB 3.47Å; G226-V230 VanDerWaalsContact O-CG2 3.28Å; G226-V230 WeakPolarHBondContact O-CG2 3.43Å; G226-V230 PolarHBondContact O-N 2.99Å; D227-V230 PolarHBondContact O-N 3.1Å; R228-V230 VanDerWaalsContact C-N 3.32Å; R228-V230 PolarHBondContact O-N 2.73Å; V230-V232 VanDerWaalsContact C-N 3.27Å; V230-V232 PolarHBondContact O-N 3.26Å; V230-L233 PolarHBondContact O-N 3.17Å; V230-S234 WeakPolarHBondContact O-CB 3.38Å; V230-S234 PolarHBondContact O-N 3.03Å; V230-W286 HydrophobicContact CG2-CH2 3.32Å; V230-W286 HydrophobicContact CG2-CZ2 4.09Å; V230-W286 HydrophobicContact CG2-CZ3 3.86Å |
| 231 | Q | 91.1 | Very high | 86.8 | Confident | 35 Ų | 35 | 29.3 Ų | 29.3 | 16% | 0.164 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 172.7 | -73.7 | 177.7 | 63.5 | 0 | 0 | 112.5 | D227 R228 S234 | D227-Q231 WeakPolarHBondContact O-CG 3.21Å; D227-Q231 PolarHBondContact O-N 3.42Å; D227-Q231 PolarHBondContact OD1-NE2 3.48Å; D227-Q231 PolarHBondContact OD2-NE2 3.49Å; R228-Q231 PolarHBondContact O-N 3.1Å; Q231-S234 PolarHBondContact O-OG 3.27Å |
| 232 | V | 87 | Confident | 86.6 | Confident | 21 Ų | 21 | 29.1 Ų | 29.1 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 170.8 | 157.9 | 0 | 0 | 0 | 0 | 109.7 | R228 V229 V230 S234 K235 I236 M460 V464 I499 | R228-V232 WeakPolarHBondContact O-CG2 3.47Å; R228-V232 PolarHBondContact O-N 3.06Å; V229-V232 WeakPolarHBondContact O-CB 3.26Å; V229-V232 PolarHBondContact O-N 3.32Å; V230-V232 VanDerWaalsContact C-N 3.27Å; V230-V232 PolarHBondContact O-N 3.26Å; V232-S234 VanDerWaalsContact C-N 3.26Å; V232-S234 PolarHBondContact O-N 3.36Å; V232-K235 PolarHBondContact O-N 3.38Å; V232-I236 HydrophobicContact CG1-CD1 4.37Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 3.27Å; V232-M460 HydrophobicContact CB-CE 4.32Å; V232-M460 HydrophobicContact CG1-CE 3.33Å; V232-M460 HydrophobicContact CG1-CG 3.96Å; V232-M460 HydrophobicContact CG1-SD 3.58Å; V232-M460 VanDerWaalsContact CG1-SD 3.58Å; V232-M460 HydrophobicContact CG2-CE 4.35Å; V232-V464 HydrophobicContact CG1-CG2 4.03Å; V232-I499 HydrophobicContact CG2-CD1 4.32Å |
| 233 | L | 86.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -34.3 | -179.8 | -67.2 | 174.9 | 0 | 0 | 0 | 112.8 | W84 W88 V229 V230 K235 I236 W279 F282 F408 | W84-L233 PolarHBondContact NE1-O 3.02Å; W88-L233 HydrophobicContact CD2-CB 4.13Å; W88-L233 HydrophobicContact CE3-CB 4.32Å; W88-L233 HydrophobicContact CE3-CD1 4.3Å; W88-L233 HydrophobicContact CH2-CB 4.36Å; W88-L233 HydrophobicContact CH2-CD1 3.57Å; W88-L233 HydrophobicContact CZ2-CB 4.21Å; W88-L233 HydrophobicContact CZ2-CD1 4.18Å; W88-L233 HydrophobicContact CZ3-CB 4.42Å; W88-L233 HydrophobicContact CZ3-CD1 3.65Å; V229-L233 HydrophobicContact CG1-CD1 4.05Å; V229-L233 HydrophobicContact CG1-CG 4.41Å; V229-L233 VanDerWaalsContact O-CG 3.32Å; V229-L233 WeakPolarHBondContact O-CG 3.28Å; V229-L233 PolarHBondContact O-N 2.84Å; V230-L233 PolarHBondContact O-N 3.17Å; L233-K235 PolarHBondContact O-N 3.46Å; L233-I236 HydrophobicContact CD2-CD1 3.69Å; L233-I236 PolarHBondContact O-N 3.19Å; L233-W279 HydrophobicContact CD2-CZ3 4.26Å; L233-F282 HydrophobicContact CD1-CE1 3.93Å; L233-F282 HydrophobicContact CD1-CZ 4.02Å; L233-F408 HydrophobicContact CD2-CZ 4.21Å |
| 234 | S | 88.4 | Confident | 86.1 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -26.2 | 177.2 | 77.6 | 0 | 0 | 0 | 0 | 113.3 | V230 Q231 V232 | V230-S234 WeakPolarHBondContact O-CB 3.38Å; V230-S234 PolarHBondContact O-N 3.03Å; Q231-S234 PolarHBondContact O-OG 3.27Å; V232-S234 VanDerWaalsContact C-N 3.26Å; V232-S234 PolarHBondContact O-N 3.36Å |
| 235 | K | 84.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 32.7 Ų | 32.7 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -91 | -13.8 | 177.1 | -68.1 | -175.3 | 175 | -161.7 | 0 | 113.8 | V232 L233 A237 I496 D500 | V232-K235 PolarHBondContact O-N 3.38Å; L233-K235 PolarHBondContact O-N 3.46Å; K235-A237 PolarHBondContact O-N 3.05Å; K235-I496 VanDerWaalsContact NZ-CG2 3.32Å; K235-D500 IonicContact NZ-OD1 2.68Å; K235-D500 PolarHBondContact NZ-OD1 3.33Å; K235-D500 IonicContact NZ-OD2 3.77Å |
| 236 | I | 78.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -65.4 | 122.8 | 179.8 | -66.4 | 178.6 | 0 | 0 | 0 | 108.7 | V232 L233 V238 W279 M460 F505 | V232-I236 HydrophobicContact CG1-CD1 4.37Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 3.27Å; L233-I236 HydrophobicContact CD2-CD1 3.69Å; L233-I236 PolarHBondContact O-N 3.19Å; I236-V238 PolarHBondContact O-N 3.44Å; I236-W279 HydrophobicContact CD1-CH2 3.61Å; I236-W279 HydrophobicContact CD1-CZ2 4.45Å; I236-W279 HydrophobicContact CD1-CZ3 4.06Å; I236-W279 HydrophobicContact CG2-CH2 3.85Å; I236-W279 HydrophobicContact CG2-CZ2 3.64Å; I236-M460 HydrophobicContact CD1-SD 3.62Å; I236-M460 HydrophobicContact CG1-SD 3.54Å; I236-M460 VanDerWaalsContact CG1-SD 3.54Å; I236-F505 HydrophobicContact CG2-CE2 4.5Å |
| 237 | A | 68.2 | Low | 85.7 | Confident | 69 Ų | 69 | 32.1 Ų | 32.1 | 57% | 0.57 | 18% | 0.176 | S | C | * | . | trans | -60.2 | 113.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K235 | K235-A237 PolarHBondContact O-N 3.05Š| ||
| 238 | V | 72.4 | Confident | 85.5 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | trans | -65.5 | 138.3 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | F80 W84 I236 D240 C242 F276 | F80-V238 HydrophobicContact CE1-CB 3.75Å; F80-V238 HydrophobicContact CE1-CG1 3.68Å; F80-V238 HydrophobicContact CE1-CG2 3.86Å; F80-V238 HydrophobicContact CZ-CB 4.44Å; F80-V238 HydrophobicContact CZ-CG1 3.88Å; W84-V238 HydrophobicContact CD2-CG2 3.42Å; W84-V238 VanDerWaalsContact CD2-CG2 3.42Å; W84-V238 HydrophobicContact CE3-CG2 3.69Å; W84-V238 HydrophobicContact CG-CG2 4.01Å; W84-V238 HydrophobicContact CH2-CG2 3.81Å; W84-V238 HydrophobicContact CZ2-CG2 3.53Å; W84-V238 HydrophobicContact CZ3-CG2 3.91Å; I236-V238 PolarHBondContact O-N 3.44Å; V238-D240 PolarHBondContact O-N 3.39Å; V238-C242 HydrophobicContact CG1-CB 3.47Å; V238-C242 VanDerWaalsContact CG1-CB 3.47Å; V238-C242 WeakPolarHBondContact CG1-SG 3.4Å; V238-F276 HydrophobicContact CG1-CE1 3.93Å; V238-F276 HydrophobicContact CG1-CZ 4.4Å | ||
| 239 | N | 72.8 | Confident | 85.4 | Confident | 80 Ų | 80 | 30.4 Ų | 30.4 | 43% | 0.428 | 17% | 0.17 | S | C | . | . | trans | -50.5 | 133.3 | -178.8 | -165 | 14.1 | 0 | 0 | 0 | 110 | S241 C242 | N239-S241 PolarHBondContact O-N 2.72Å; N239-C242 PolarHBondContact O-N 3.45Å; N239-C242 PolarHBondContact O-SG 3.05Å | ||
| 240 | D | 80.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 30.7 Ų | 30.7 | 48% | 0.481 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -53.1 | -29.9 | -175.7 | -65 | -33.4 | 0 | 0 | 0 | 111.9 | V238 C242 I243 N244 | V238-D240 PolarHBondContact O-N 3.39Å; D240-C242 VanDerWaalsContact C-N 3.3Å; D240-C242 PolarHBondContact O-N 2.86Å; D240-I243 PolarHBondContact O-N 3.05Å; D240-N244 VanDerWaalsContact O-CB 3.22Å; D240-N244 WeakPolarHBondContact O-CB 3.31Å; D240-N244 PolarHBondContact O-N 2.83Å; D240-N244 PolarHBondContact O-ND2 3.16Å |
| 241 | S | 81.1 | Confident | 85.2 | Confident | 55 Ų | 55 | 31.1 Ų | 31.1 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -52.4 | -42 | 171.5 | -170.5 | 0 | 0 | 0 | 0 | 113.6 | N239 N244 E245 | N239-S241 PolarHBondContact O-N 2.72Å; S241-N244 WeakPolarHBondContact O-CB 3.43Å; S241-N244 PolarHBondContact O-N 2.96Å; S241-E245 VanDerWaalsContact O-CG 3.31Å; S241-E245 WeakPolarHBondContact O-CG 3.38Å; S241-E245 PolarHBondContact O-N 3.26Å |
| 242 | C | 87.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.8 | -41.8 | -177.7 | -34.2 | 0 | 0 | 0 | 0 | 111.1 | F80 V238 N239 D240 N244 E245 W246 C275 | F80-C242 HydrophobicContact CZ-CB 4.03Å; V238-C242 HydrophobicContact CG1-CB 3.47Å; V238-C242 VanDerWaalsContact CG1-CB 3.47Å; V238-C242 WeakPolarHBondContact CG1-SG 3.4Å; N239-C242 PolarHBondContact O-N 3.45Å; N239-C242 PolarHBondContact O-SG 3.05Å; D240-C242 VanDerWaalsContact C-N 3.3Å; D240-C242 PolarHBondContact O-N 2.86Å; C242-N244 VanDerWaalsContact C-N 3.31Å; C242-E245 PolarHBondContact O-N 2.81Å; C242-W246 PolarHBondContact O-N 3.35Å; C242-C275 HydrophobicContact CB-CB 3.67Å; C242-C275 WeakPolarHBondContact SG-CB 3.28Å |
| 243 | I | 89.4 | Confident | 85.3 | Confident | 22 Ų | 22 | 29 Ų | 29 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.3 | -64.5 | 171.4 | 0 | 0 | 0 | 109.4 | A77 F80 D240 E245 W246 I247 | A77-I243 HydrophobicContact CB-CG2 3.73Å; F80-I243 HydrophobicContact CD1-CD1 4.44Å; F80-I243 HydrophobicContact CD1-CG1 3.58Å; F80-I243 HydrophobicContact CE1-CG1 3.9Å; F80-I243 HydrophobicContact CG-CG1 4.16Å; D240-I243 PolarHBondContact O-N 3.05Å; I243-E245 PolarHBondContact O-N 3.01Å; I243-W246 WeakPolarHBondContact O-CB 3.4Å; I243-W246 PolarHBondContact O-N 3.2Å; I243-I247 HydrophobicContact CG2-CD1 3.72Å; I243-I247 HydrophobicContact CG2-CG1 4.36Å; I243-I247 WeakPolarHBondContact O-CD1 3.4Å; I243-I247 VanDerWaalsContact O-CG1 3.23Å; I243-I247 WeakPolarHBondContact O-CG1 3.21Å; I243-I247 PolarHBondContact O-N 3.24Å |
| 244 | N | 89.6 | Confident | 85.3 | Confident | 50 Ų | 50 | 29.2 Ų | 29.2 | 27% | 0.267 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 176.1 | -78.8 | -13.7 | 0 | 0 | 0 | 112.6 | L51 D240 S241 C242 W246 I247 K248 | L51-N244 HydrophobicContact CD1-CB 3.6Å; L51-N244 VanDerWaalsContact CD1-CG 3.43Å; L51-N244 WeakPolarHBondContact CD1-OD1 3.49Å; D240-N244 VanDerWaalsContact O-CB 3.22Å; D240-N244 WeakPolarHBondContact O-CB 3.31Å; D240-N244 PolarHBondContact O-N 2.83Å; D240-N244 PolarHBondContact O-ND2 3.16Å; S241-N244 WeakPolarHBondContact O-CB 3.43Å; S241-N244 PolarHBondContact O-N 2.96Å; C242-N244 VanDerWaalsContact C-N 3.31Å; N244-W246 VanDerWaalsContact C-N 3.34Å; N244-W246 PolarHBondContact O-N 3.13Å; N244-I247 PolarHBondContact O-N 3.46Å; N244-K248 WeakPolarHBondContact O-CG 3.32Å; N244-K248 PolarHBondContact O-N 3.22Å |
| 245 | E | 89.9 | Confident | 85.3 | Confident | 29 Ų | 29 | 28.4 Ų | 28.4 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 176.4 | -70.3 | -54.8 | 122.2 | 0 | 0 | 112.6 | S241 C242 I243 K248 L249 R271 C275 | S241-E245 VanDerWaalsContact O-CG 3.31Å; S241-E245 WeakPolarHBondContact O-CG 3.38Å; S241-E245 PolarHBondContact O-N 3.26Å; C242-E245 PolarHBondContact O-N 2.81Å; I243-E245 PolarHBondContact O-N 3.01Å; E245-K248 PolarHBondContact O-N 3.16Å; E245-K248 IonicContact OE1-NZ 3.06Å; E245-K248 PolarHBondContact OE1-NZ 2.83Å; E245-L249 WeakPolarHBondContact O-CD1 3.19Å; E245-L249 PolarHBondContact O-N 3.48Å; E245-L249 VanDerWaalsContact O-N 3.08Å; E245-R271 HydrophobicContact CB-CB 4.22Å; E245-R271 WeakPolarHBondContact OE2-CD 3.21Å; E245-R271 WeakPolarHBondContact OE2-CG 2.97Å; E245-R271 IonicContact OE2-CZ 3.15Å; E245-R271 IonicContact OE2-NE 3.77Å; E245-R271 IonicContact OE2-NH1 2.71Å; E245-R271 PolarHBondContact OE2-NH1 3.42Å; E245-C275 VanDerWaalsContact CG-SG 3.56Å |
| 246 | W | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 172.4 | 175.8 | -103.7 | 0 | 0 | 0 | 112.4 | E79 F80 C242 I243 N244 K248 L249 R250 F415 | E79-W246 HydrophobicContact CG-CZ2 4.36Å; F80-W246 HydrophobicContact CB-CG 4.14Å; F80-W246 HydrophobicContact CD2-CB 3.58Å; F80-W246 AromaticContact CD2-CD1 3.91Å; F80-W246 AromaticContact CD2-CD2 3.98Å; F80-W246 HydrophobicContact CD2-CD2 3.98Å; F80-W246 AromaticContact CD2-CG 3.53Å; F80-W246 HydrophobicContact CD2-CG 3.53Å; F80-W246 HydrophobicContact CE2-CB 4.12Å; F80-W246 HydrophobicContact CE2-CG 4.42Å; F80-W246 HydrophobicContact CG-CB 4.41Å; F80-W246 HydrophobicContact CG-CG 4.28Å; C242-W246 PolarHBondContact O-N 3.35Å; I243-W246 WeakPolarHBondContact O-CB 3.4Å; I243-W246 PolarHBondContact O-N 3.2Å; N244-W246 VanDerWaalsContact C-N 3.34Å; N244-W246 PolarHBondContact O-N 3.13Å; W246-K248 VanDerWaalsContact C-N 3.32Å; W246-K248 PolarHBondContact O-N 3.01Å; W246-L249 PolarHBondContact O-N 3.15Å; W246-R250 HydrophobicContact CD2-CG 3.79Å; W246-R250 VanDerWaalsContact CE2-CG 3.49Å; W246-R250 HydrophobicContact CE3-CG 4.09Å; W246-R250 HydrophobicContact CG-CG 4.41Å; W246-R250 HydrophobicContact CH2-CG 3.89Å; W246-R250 HydrophobicContact CZ2-CG 3.57Å; W246-R250 VanDerWaalsContact CZ2-NH1 3.34Å; W246-R250 HydrophobicContact CZ3-CG 4.13Å; W246-R250 WeakPolarHBondContact O-CB 3.18Å; W246-R250 PolarHBondContact O-N 3.4Å; W246-F415 HydrophobicContact CD2-CD1 4.49Å; W246-F415 HydrophobicContact CE3-CD1 4.05Å; W246-F415 AromaticContact CH2-CD1 3.82Å; W246-F415 HydrophobicContact CH2-CD1 3.82Å; W246-F415 HydrophobicContact CZ2-CD1 4.26Å; W246-F415 HydrophobicContact CZ3-CB 4.14Å; W246-F415 AromaticContact CZ3-CD1 3.71Å; W246-F415 HydrophobicContact CZ3-CD1 3.71Å; W246-F415 HydrophobicContact CZ3-CG 4.37Å |
| 247 | I | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 178 | -64.8 | 157.6 | 0 | 0 | 0 | 110.5 | L51 I72 V73 I243 N244 L249 R250 Y251 C252 | L51-I247 HydrophobicContact CD2-CB 3.62Å; L51-I247 HydrophobicContact CD2-CD1 3.83Å; L51-I247 HydrophobicContact CD2-CG1 4.34Å; L51-I247 HydrophobicContact CD2-CG2 3.46Å; L51-I247 VanDerWaalsContact CD2-CG2 3.46Å; I72-I247 HydrophobicContact CG2-CG2 3.5Å; I72-I247 VanDerWaalsContact CG2-CG2 3.5Å; V73-I247 HydrophobicContact CB-CD1 4.46Å; V73-I247 HydrophobicContact CG1-CD1 4.19Å; I243-I247 HydrophobicContact CG2-CD1 3.72Å; I243-I247 HydrophobicContact CG2-CG1 4.36Å; I243-I247 WeakPolarHBondContact O-CD1 3.4Å; I243-I247 VanDerWaalsContact O-CG1 3.23Å; I243-I247 WeakPolarHBondContact O-CG1 3.21Å; I243-I247 PolarHBondContact O-N 3.24Å; N244-I247 PolarHBondContact O-N 3.46Å; I247-L249 PolarHBondContact O-N 3.02Å; I247-R250 PolarHBondContact O-N 2.85Å; I247-Y251 PolarHBondContact O-N 3.31Å; I247-C252 PolarHBondContact O-N 2.89Å |
| 248 | K | 91.2 | Very high | 86.4 | Confident | 45 Ų | 45 | 24.4 Ų | 24.4 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.1 | -49 | 174 | -70.4 | 175.7 | -171.2 | 170.7 | 0 | 112.3 | L51 N244 E245 W246 R250 C252 W433 G435 | L51-K248 HydrophobicContact CG-CG 4.35Å; L51-K248 WeakPolarHBondContact O-CE 3.46Å; N244-K248 WeakPolarHBondContact O-CG 3.32Å; N244-K248 PolarHBondContact O-N 3.22Å; E245-K248 PolarHBondContact O-N 3.16Å; E245-K248 IonicContact OE1-NZ 3.06Å; E245-K248 PolarHBondContact OE1-NZ 2.83Å; W246-K248 VanDerWaalsContact C-N 3.32Å; W246-K248 PolarHBondContact O-N 3.01Å; K248-R250 PolarHBondContact O-N 3.25Å; K248-C252 VanDerWaalsContact CA-SG 3.54Å; K248-W433 PolarHBondContact O-NE1 3.38Å; K248-G435 WeakPolarHBondContact O-CA 3.28Å |
| 249 | L | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.3 | -86.7 | 153 | 0 | 0 | 0 | 113.3 | E245 W246 I247 I263 C268 R271 W433 | E245-L249 WeakPolarHBondContact O-CD1 3.19Å; E245-L249 PolarHBondContact O-N 3.48Å; E245-L249 VanDerWaalsContact O-N 3.08Å; W246-L249 PolarHBondContact O-N 3.15Å; I247-L249 PolarHBondContact O-N 3.02Å; L249-I263 HydrophobicContact CD2-CG2 3.54Å; L249-I263 WeakPolarHBondContact O-CD1 3.43Å; L249-C268 HydrophobicContact CD1-CB 4.38Å; L249-C268 HydrophobicContact CD2-CB 4.29Å; L249-R271 HydrophobicContact CD1-CB 4.08Å; L249-R271 HydrophobicContact CD1-CG 4.48Å; L249-W433 PolarHBondContact O-NE1 3.37Å |
| 250 | R | 89.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -95.3 | -27.3 | -167.2 | -73.5 | -71.8 | -54.4 | -102.3 | -20.8 | 115.5 | E79 W246 I247 K248 N253 L420 | E79-R250 VanDerWaalsContact CD-CZ 3.48Å; E79-R250 IonicContact OE1-CZ 3.7Å; E79-R250 IonicContact OE1-NH1 2.87Å; E79-R250 PolarHBondContact OE1-NH1 2.96Å; E79-R250 IonicContact OE1-NH2 2.68Å; E79-R250 PolarHBondContact OE1-NH2 3.37Å; E79-R250 IonicContact OE2-CZ 2.57Å; E79-R250 IonicContact OE2-NE 3.94Å; E79-R250 IonicContact OE2-NH1 3.89Å; E79-R250 IonicContact OE2-NH2 3.47Å; E79-R250 PolarHBondContact OE2-NH2 3.45Å; W246-R250 HydrophobicContact CD2-CG 3.79Å; W246-R250 VanDerWaalsContact CE2-CG 3.49Å; W246-R250 HydrophobicContact CE3-CG 4.09Å; W246-R250 HydrophobicContact CG-CG 4.41Å; W246-R250 HydrophobicContact CH2-CG 3.89Å; W246-R250 HydrophobicContact CZ2-CG 3.57Å; W246-R250 VanDerWaalsContact CZ2-NH1 3.34Å; W246-R250 HydrophobicContact CZ3-CG 4.13Å; W246-R250 WeakPolarHBondContact O-CB 3.18Å; W246-R250 PolarHBondContact O-N 3.4Å; I247-R250 PolarHBondContact O-N 2.85Å; K248-R250 PolarHBondContact O-N 3.25Å; R250-N253 PolarHBondContact O-OD1 2.91Å; R250-L420 PolarHBondContact NH1-O 2.99Å |
| 251 | Y | 89.3 | Confident | 87.3 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | -26.8 | -165.6 | -64 | -77.9 | 0 | 0 | 0 | 114.8 | I72 I75 G76 E79 I247 N253 L254 | I72-Y251 VanDerWaalsContact CG2-CB 3.46Å; I72-Y251 HydrophobicContact CG2-CG 4.24Å; I75-Y251 HydrophobicContact CG2-CE1 3.86Å; I75-Y251 HydrophobicContact CG2-CE2 4.49Å; I75-Y251 WeakPolarHBondContact CG2-OH 3.42Å; G76-Y251 VanDerWaalsContact CA-CE2 3.42Å; E79-Y251 WeakPolarHBondContact OE2-CE2 3.44Å; E79-Y251 PolarHBondContact OE2-OH 3.29Å; I247-Y251 PolarHBondContact O-N 3.31Å; Y251-N253 WeakPolarHBondContact CA-OD1 3.47Å; Y251-N253 PolarHBondContact N-OD1 3.46Å; Y251-N253 PolarHBondContact O-N 3Å; Y251-N253 VanDerWaalsContact O-N 3.13Å; Y251-N253 PolarHBondContact O-OD1 3.11Å; Y251-L254 HydrophobicContact CD1-CD1 4.45Å; Y251-L254 WeakPolarHBondContact O-CB 3.48Å; Y251-L254 PolarHBondContact O-N 2.88Å |
| 252 | C | 90.7 | Very high | 87.5 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -18.6 | -179.1 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | C52 I247 K248 L254 C255 S256 W433 | C52-C252 WeakPolarHBondContact CA-SG 3.38Å; C52-C252 HydrophobicContact CB-CB 3.68Å; C52-C252 WeakPolarHBondContact CB-SG 3.39Å; C52-C252 WeakPolarHBondContact SG-CA 3.49Å; C52-C252 WeakPolarHBondContact SG-CB 3.44Å; C52-C252 CovalentContact SG-SG 2.03Å; C52-C252 PolarHBondContact SG-SG 2.81Å; I247-C252 PolarHBondContact O-N 2.89Å; K248-C252 VanDerWaalsContact CA-SG 3.54Å; C252-L254 PolarHBondContact O-N 3.22Å; C252-C255 WeakPolarHBondContact O-CB 3.46Å; C252-C255 PolarHBondContact O-N 3.42Å; C252-C255 VanDerWaalsContact O-N 3.07Å; C252-S256 PolarHBondContact O-N 2.95Å; C252-W433 HydrophobicContact CB-CZ2 4.31Å |
| 253 | N | 88.6 | Confident | 87.6 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.3 | -33.2 | 170.2 | 63.7 | -68.9 | 0 | 0 | 0 | 112.7 | R250 Y251 C255 S256 G257 V258 P261 W433 | R250-N253 PolarHBondContact O-OD1 2.91Å; Y251-N253 WeakPolarHBondContact CA-OD1 3.47Å; Y251-N253 PolarHBondContact N-OD1 3.46Å; Y251-N253 PolarHBondContact O-N 3Å; Y251-N253 VanDerWaalsContact O-N 3.13Å; Y251-N253 PolarHBondContact O-OD1 3.11Å; N253-C255 VanDerWaalsContact C-N 3.32Å; N253-S256 CarbonylContact O-C 3.57Å; N253-S256 PolarHBondContact O-N 3.21Å; N253-G257 PolarHBondContact O-N 3.27Å; N253-V258 CarbonylContact C-O 3.53Å; N253-V258 HydrophobicContact CB-CB 4.27Å; N253-V258 PolarHBondContact ND2-O 2.93Å; N253-V258 WeakPolarHBondContact O-CA 3.42Å; N253-V258 PolarHBondContact O-N 3.45Å; N253-V258 VanDerWaalsContact O-O 3.12Å; N253-P261 HydrophobicContact CB-CG 3.73Å; N253-P261 WeakPolarHBondContact ND2-CD 3.4Å; N253-W433 HydrophobicContact CB-CD2 3.8Å; N253-W433 HydrophobicContact CB-CE3 4.17Å; N253-W433 HydrophobicContact CB-CG 4.23Å; N253-W433 HydrophobicContact CB-CH2 4.33Å; N253-W433 HydrophobicContact CB-CZ2 3.95Å; N253-W433 HydrophobicContact CB-CZ3 4.42Å |
| 254 | L | 88.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68 | -34 | 178.5 | -60.5 | 175.5 | 0 | 0 | 0 | 111.5 | A31 I34 I35 Y251 C252 S256 G257 I259 | A31-L254 HydrophobicContact CB-CB 4.21Å; A31-L254 HydrophobicContact CB-CD2 4.38Å; A31-L254 WeakPolarHBondContact CB-O 3.43Å; I34-L254 HydrophobicContact CD1-CD2 4.33Å; I34-L254 HydrophobicContact CG2-CD1 4.09Å; I34-L254 HydrophobicContact CG2-CD2 4.39Å; I35-L254 HydrophobicContact CD1-CB 4.19Å; I35-L254 HydrophobicContact CD1-CD1 4.36Å; I35-L254 HydrophobicContact CG1-CB 4.45Å; I35-L254 HydrophobicContact CG1-CD1 3.72Å; Y251-L254 HydrophobicContact CD1-CD1 4.45Å; Y251-L254 WeakPolarHBondContact O-CB 3.48Å; Y251-L254 PolarHBondContact O-N 2.88Å; C252-L254 PolarHBondContact O-N 3.22Å; L254-S256 VanDerWaalsContact C-N 3.34Å; L254-G257 PolarHBondContact O-N 2.78Å; L254-I259 HydrophobicContact CD2-CD1 4.13Å |
| 255 | C | 87.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.6 | -34.6 | 174.5 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | C52 D62 C63 C64 I72 C252 N253 G257 | C52-C255 HydrophobicContact CB-CB 4.2Å; D62-C255 WeakPolarHBondContact CA-O 3.35Å; C63-C255 PolarHBondContact N-O 3.46Å; C64-C255 HydrophobicContact CB-CB 3.66Å; C64-C255 WeakPolarHBondContact CB-SG 3.28Å; C64-C255 WeakPolarHBondContact SG-CA 3.25Å; C64-C255 WeakPolarHBondContact SG-CB 3.29Å; C64-C255 CovalentContact SG-SG 2.04Å; C64-C255 PolarHBondContact SG-SG 2.77Å; I72-C255 WeakPolarHBondContact CD1-SG 3.45Å; C252-C255 WeakPolarHBondContact O-CB 3.46Å; C252-C255 PolarHBondContact O-N 3.42Å; C252-C255 VanDerWaalsContact O-N 3.07Å; N253-C255 VanDerWaalsContact C-N 3.32Å; C255-G257 PolarHBondContact O-N 3.15Å |
| 256 | S | 86.9 | Confident | 87.1 | Confident | 49 Ų | 49 | 29 Ų | 29 | 34% | 0.343 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 8 | 172.8 | -50.5 | 0 | 0 | 0 | 0 | 114.5 | C252 N253 L254 V258 | C252-S256 PolarHBondContact O-N 2.95Å; N253-S256 CarbonylContact O-C 3.57Å; N253-S256 PolarHBondContact O-N 3.21Å; L254-S256 VanDerWaalsContact C-N 3.34Å; S256-V258 PolarHBondContact O-N 3.47Å |
| 257 | G | 83.1 | Confident | 86.9 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 7% | 0.072 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 14.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C63 N253 L254 C255 | C63-G257 WeakPolarHBondContact SG-CA 3.36Å; N253-G257 PolarHBondContact O-N 3.27Å; L254-G257 PolarHBondContact O-N 2.78Å; C255-G257 PolarHBondContact O-N 3.15Å |
| 258 | V | 84.3 | Confident | 86.9 | Confident | 34 Ų | 34 | 29.3 Ų | 29.3 | 21% | 0.206 | 15% | 0.147 | C | C | . | . | trans | -96.2 | 111.3 | 179.4 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | N253 S256 P261 L438 | N253-V258 CarbonylContact C-O 3.53Å; N253-V258 HydrophobicContact CB-CB 4.27Å; N253-V258 PolarHBondContact ND2-O 2.93Å; N253-V258 WeakPolarHBondContact O-CA 3.42Å; N253-V258 PolarHBondContact O-N 3.45Å; N253-V258 VanDerWaalsContact O-O 3.12Å; S256-V258 PolarHBondContact O-N 3.47Å; V258-P261 HydrophobicContact CG1-CB 3.66Å; V258-P261 HydrophobicContact CG1-CG 3.7Å; V258-L438 HydrophobicContact CG1-CD1 4.11Å; V258-L438 HydrophobicContact CG1-CD2 4.36Å; V258-L438 HydrophobicContact CG1-CG 4.46Å; V258-L438 HydrophobicContact CG2-CD1 4.26Å | ||
| 259 | I | 82.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 24% | 0.236 | 15% | 0.147 | C | C | . | . | trans | -90.5 | 122.5 | -176.2 | -53.6 | -61.5 | 0 | 0 | 0 | 110.2 | L30 A31 I34 L254 | L30-I259 HydrophobicContact CB-CD1 4.34Å; L30-I259 HydrophobicContact CD2-CG1 4.08Å; L30-I259 HydrophobicContact CD2-CG2 4.02Å; L30-I259 HydrophobicContact CG-CD1 4.32Å; L30-I259 HydrophobicContact CG-CG1 4.41Å; L30-I259 HydrophobicContact CG-CG2 4.47Å; A31-I259 HydrophobicContact CB-CD1 3.69Å; I34-I259 HydrophobicContact CD1-CD1 4.23Å; I34-I259 HydrophobicContact CD1-CG2 3.74Å; L254-I259 HydrophobicContact CD2-CD1 4.13Å | ||
| 260 | Q | 78.4 | Confident | 86.5 | Confident | 150 Ų | 150 | 31.5 Ų | 31.5 | 70% | 0.701 | 16% | 0.162 | S | C | * | . | S | Bend | trans | 48.1 | 49.5 | 173.6 | -58.7 | 179.9 | 10.5 | 0 | 0 | 115.1 | ||
| 261 | P | 83.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 13% | 0.13 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 152.1 | 176.9 | 32.1 | -33.9 | 0 | 0 | 0 | 111.2 | N253 V258 I263 W433 L438 | N253-P261 HydrophobicContact CB-CG 3.73Å; N253-P261 WeakPolarHBondContact ND2-CD 3.4Å; V258-P261 HydrophobicContact CG1-CB 3.66Å; V258-P261 HydrophobicContact CG1-CG 3.7Å; P261-I263 PolarHBondContact O-N 3.07Å; P261-W433 HydrophobicContact CB-CB 3.9Å; P261-W433 HydrophobicContact CG-CB 3.66Å; P261-W433 HydrophobicContact CG-CD2 4.49Å; P261-W433 HydrophobicContact CG-CG 4.03Å; P261-L438 HydrophobicContact CB-CD2 3.9Å |
| 262 | L | 85.7 | Confident | 86.4 | Confident | 49 Ų | 49 | 32.7 Ų | 32.7 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 122.5 | 165 | 179.2 | 67.3 | 0 | 0 | 0 | 109.6 | V423 C432 W433 I441 | L262-V423 HydrophobicContact CD1-CB 3.88Å; L262-V423 HydrophobicContact CD1-CG1 3.54Å; L262-V423 HydrophobicContact CD1-CG2 3.71Å; L262-C432 HydrophobicContact CB-CB 4.45Å; L262-C432 HydrophobicContact CD2-CB 4.22Å; L262-C432 HydrophobicContact CG-CB 4.23Å; L262-C432 CarbonylContact O-C 3.4Å; L262-C432 WeakPolarHBondContact O-CA 3.06Å; L262-C432 WeakPolarHBondContact O-CB 3.33Å; L262-W433 PolarHBondContact O-N 3.17Å; L262-I441 HydrophobicContact CD2-CD1 4.47Å |
| 263 | I | 88.1 | Confident | 86.1 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 131.1 | 176.8 | -59.7 | 172.1 | 0 | 0 | 0 | 110 | L249 P261 R265 L421 | L249-I263 HydrophobicContact CD2-CG2 3.54Å; L249-I263 WeakPolarHBondContact O-CD1 3.43Å; P261-I263 PolarHBondContact O-N 3.07Å; I263-R265 PolarHBondContact O-N 3.42Å; I263-L421 HydrophobicContact CB-CB 4.37Å; I263-L421 HydrophobicContact CB-CD2 4.19Å; I263-L421 HydrophobicContact CD1-CD2 4.31Å; I263-L421 HydrophobicContact CG2-CD2 3.89Å |
| 264 | C | 87.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | trans | -64.5 | 111.4 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | H266 S267 C268 C432 W433 T434 | C264-H266 VanDerWaalsContact C-N 3.29Å; C264-H266 WeakPolarHBondContact CB-NE2 3.47Å; C264-H266 PolarHBondContact O-N 3.22Å; C264-S267 WeakPolarHBondContact O-CB 3.25Å; C264-S267 PolarHBondContact O-N 3.31Å; C264-C268 PolarHBondContact O-N 3.35Å; C264-C268 VanDerWaalsContact O-N 3.11Å; C264-C432 WeakPolarHBondContact CA-SG 3.43Å; C264-C432 HydrophobicContact CB-CB 3.93Å; C264-C432 WeakPolarHBondContact CB-SG 3.38Å; C264-C432 VanDerWaalsContact SG-CA 3.59Å; C264-C432 WeakPolarHBondContact SG-CB 3.16Å; C264-C432 PolarHBondContact SG-O 3.48Å; C264-C432 CovalentContact SG-SG 2.02Å; C264-C432 PolarHBondContact SG-SG 3.15Å; C264-W433 PolarHBondContact N-O 2.9Å; C264-W433 VanDerWaalsContact SG-C 3.57Å; C264-W433 PolarHBondContact SG-O 3.42Å; C264-T434 HydrophobicContact CB-CG2 4.38Å; C264-T434 VanDerWaalsContact SG-CG2 3.56Å | ||
| 265 | R | 86.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 37.5 Ų | 37.5 | 41% | 0.408 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.6 | -43.9 | 179 | -171.3 | 172.5 | -178 | 129.9 | 3.1 | 112.3 | I263 S267 C268 F269 C416 D418 L421 | I263-R265 PolarHBondContact O-N 3.42Å; R265-S267 PolarHBondContact O-N 2.94Å; R265-C268 WeakPolarHBondContact O-CB 3.43Å; R265-C268 PolarHBondContact O-N 3.06Å; R265-F269 HydrophobicContact CG-CD2 3.96Å; R265-F269 HydrophobicContact CG-CE2 3.82Å; R265-F269 VanDerWaalsContact O-CD2 3.3Å; R265-F269 WeakPolarHBondContact O-CD2 3.46Å; R265-F269 PolarHBondContact O-N 3.08Å; R265-C416 VanDerWaalsContact CZ-O 3.31Å; R265-C416 PolarHBondContact NE-O 3.11Å; R265-D418 IonicContact NH1-OD1 2.76Å; R265-D418 PolarHBondContact NH1-OD1 3.48Å; R265-D418 IonicContact NH1-OD2 2.74Å; R265-D418 PolarHBondContact NH1-OD2 3.19Å; R265-L421 HydrophobicContact CB-CD1 4.22Å; R265-L421 HydrophobicContact CG-CD1 4.24Å |
| 266 | H | 83.9 | Confident | 85.1 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -35.2 | 177.8 | 82.9 | 71.5 | 0 | 0 | 0 | 112.1 | C264 F269 S270 I444 | C264-H266 VanDerWaalsContact C-N 3.29Å; C264-H266 WeakPolarHBondContact CB-NE2 3.47Å; C264-H266 PolarHBondContact O-N 3.22Å; H266-F269 PolarHBondContact O-N 3.37Å; H266-S270 WeakPolarHBondContact O-CB 3.38Å; H266-S270 PolarHBondContact O-N 2.97Å; H266-I444 WeakPolarHBondContact CE1-CD1 3.4Å; H266-I444 WeakPolarHBondContact ND1-CG2 3.41Å; H266-I444 WeakPolarHBondContact NE2-CD1 3.37Å |
| 267 | S | 87.2 | Confident | 84.5 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.6 | -41.6 | -177.3 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | C264 R265 F269 S270 R271 T434 | C264-S267 WeakPolarHBondContact O-CB 3.25Å; C264-S267 PolarHBondContact O-N 3.31Å; R265-S267 PolarHBondContact O-N 2.94Å; S267-F269 PolarHBondContact O-N 3.45Å; S267-S270 PolarHBondContact O-N 2.95Å; S267-R271 WeakPolarHBondContact O-CB 3.22Å; S267-R271 WeakPolarHBondContact O-CG 3.38Å; S267-R271 PolarHBondContact O-N 2.86Å; S267-R271 PolarHBondContact OG-NE 3.4Å; S267-T434 PolarHBondContact OG-O 2.93Å |
| 268 | C | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.7 | -52.2 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L249 C264 R265 S270 L272 C416 L421 | L249-C268 HydrophobicContact CD1-CB 4.38Å; L249-C268 HydrophobicContact CD2-CB 4.29Å; C264-C268 PolarHBondContact O-N 3.35Å; C264-C268 VanDerWaalsContact O-N 3.11Å; R265-C268 WeakPolarHBondContact O-CB 3.43Å; R265-C268 PolarHBondContact O-N 3.06Å; C268-S270 PolarHBondContact O-N 3.13Å; C268-L272 VanDerWaalsContact O-CB 3.32Å; C268-L272 WeakPolarHBondContact O-CB 3.34Å; C268-L272 WeakPolarHBondContact O-CG 3.36Å; C268-L272 PolarHBondContact O-N 2.83Å; C268-C416 HydrophobicContact CB-CB 3.86Å; C268-C416 WeakPolarHBondContact CB-SG 3.35Å; C268-C416 WeakPolarHBondContact SG-CA 3.5Å; C268-C416 WeakPolarHBondContact SG-CB 3.45Å; C268-C416 CovalentContact SG-SG 2.04Å; C268-C416 PolarHBondContact SG-SG 2.97Å; C268-L421 HydrophobicContact CB-CD1 4.17Å; C268-L421 HydrophobicContact CB-CD2 4.11Å |
| 269 | F | 88.6 | Confident | 83.6 | Confident | 47 Ų | 47 | 37.2 Ų | 37.2 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 178 | -87.8 | -80.3 | 0 | 0 | 0 | 112.2 | R265 H266 S267 S273 I412 K413 C416 | R265-F269 HydrophobicContact CG-CD2 3.96Å; R265-F269 HydrophobicContact CG-CE2 3.82Å; R265-F269 VanDerWaalsContact O-CD2 3.3Å; R265-F269 WeakPolarHBondContact O-CD2 3.46Å; R265-F269 PolarHBondContact O-N 3.08Å; H266-F269 PolarHBondContact O-N 3.37Å; S267-F269 PolarHBondContact O-N 3.45Å; F269-S273 WeakPolarHBondContact O-CB 3.32Å; F269-S273 PolarHBondContact O-N 3.12Å; F269-S273 PolarHBondContact O-OG 3.36Å; F269-I412 HydrophobicContact CD1-CG2 3.49Å; F269-I412 VanDerWaalsContact CD1-CG2 3.49Å; F269-I412 HydrophobicContact CE1-CG2 3.8Å; F269-I412 HydrophobicContact CG-CG2 4.32Å; F269-K413 HydrophobicContact CE1-CB 4.36Å; F269-K413 HydrophobicContact CE1-CG 3.66Å; F269-K413 HydrophobicContact CZ-CB 4.19Å; F269-K413 HydrophobicContact CZ-CG 3.78Å; F269-C416 HydrophobicContact CD2-CB 3.77Å; F269-C416 HydrophobicContact CE2-CB 3.48Å; F269-C416 VanDerWaalsContact CE2-CB 3.48Å; F269-C416 HydrophobicContact CG-CB 4.43Å; F269-C416 HydrophobicContact CZ-CB 3.96Å; F269-C416 PolarHBondContact N-SG 2.68Å; F269-C416 VanDerWaalsContact N-SG 3.39Å |
| 270 | S | 85 | Confident | 83.4 | Confident | 45 Ų | 45 | 36.4 Ų | 36.4 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -50.4 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | H266 S267 C268 S273 T274 | H266-S270 WeakPolarHBondContact O-CB 3.38Å; H266-S270 PolarHBondContact O-N 2.97Å; S267-S270 PolarHBondContact O-N 2.95Å; C268-S270 PolarHBondContact O-N 3.13Å; S270-S273 PolarHBondContact O-N 2.88Å; S270-T274 PolarHBondContact O-N 3.33Å; S270-T274 VanDerWaalsContact O-N 3.1Å; S270-T274 PolarHBondContact O-OG1 3.17Å |
| 271 | R | 88.4 | Confident | 83.3 | Confident | 43 Ų | 43 | 30 Ų | 30 | 16% | 0.162 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | -179 | -70.4 | -179.6 | -177.2 | -92.1 | 2.6 | 111.6 | E245 L249 S267 T274 C275 T434 D436 | E245-R271 HydrophobicContact CB-CB 4.22Å; E245-R271 WeakPolarHBondContact OE2-CD 3.21Å; E245-R271 WeakPolarHBondContact OE2-CG 2.97Å; E245-R271 IonicContact OE2-CZ 3.15Å; E245-R271 IonicContact OE2-NE 3.77Å; E245-R271 IonicContact OE2-NH1 2.71Å; E245-R271 PolarHBondContact OE2-NH1 3.42Å; L249-R271 HydrophobicContact CD1-CB 4.08Å; L249-R271 HydrophobicContact CD1-CG 4.48Å; S267-R271 WeakPolarHBondContact O-CB 3.22Å; S267-R271 WeakPolarHBondContact O-CG 3.38Å; S267-R271 PolarHBondContact O-N 2.86Å; S267-R271 PolarHBondContact OG-NE 3.4Å; R271-T274 PolarHBondContact O-N 2.96Å; R271-C275 WeakPolarHBondContact O-CB 3.44Å; R271-C275 PolarHBondContact O-N 2.97Å; R271-C275 PolarHBondContact O-SG 3.18Å; R271-T434 PolarHBondContact NE-O 3.43Å; R271-T434 PolarHBondContact NH2-O 2.79Å; R271-D436 IonicContact CZ-OD2 3.43Å; R271-D436 IonicContact NH1-OD1 2.8Å; R271-D436 IonicContact NH1-OD2 3.4Å; R271-D436 VanDerWaalsContact NH2-CG 3.25Å; R271-D436 IonicContact NH2-OD1 3.83Å; R271-D436 PolarHBondContact NH2-OD1 2.03Å; R271-D436 IonicContact NH2-OD2 3.45Å; R271-D436 PolarHBondContact NH2-OD2 3Å |
| 272 | L | 88.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.3 | -36.3 | 179.4 | -66.4 | -175.6 | 0 | 0 | 0 | 112.5 | F80 C268 T274 C275 F276 I412 F415 | F80-L272 HydrophobicContact CE2-CD2 4.32Å; C268-L272 VanDerWaalsContact O-CB 3.32Å; C268-L272 WeakPolarHBondContact O-CB 3.34Å; C268-L272 WeakPolarHBondContact O-CG 3.36Å; C268-L272 PolarHBondContact O-N 2.83Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 3.38Å; L272-C275 WeakPolarHBondContact O-CB 3.33Å; L272-C275 PolarHBondContact O-N 3.47Å; L272-F276 HydrophobicContact CB-CD2 4.23Å; L272-F276 HydrophobicContact CB-CE2 4.29Å; L272-F276 HydrophobicContact CD2-CE2 4.4Å; L272-F276 WeakPolarHBondContact O-CD2 3.3Å; L272-F276 PolarHBondContact O-N 2.72Å; L272-I412 HydrophobicContact CB-CG1 4.41Å; L272-I412 HydrophobicContact CB-CG2 4.15Å; L272-F415 HydrophobicContact CD1-CB 3.47Å; L272-F415 VanDerWaalsContact CD1-CB 3.47Å; L272-F415 HydrophobicContact CD1-CD2 4.5Å; L272-F415 HydrophobicContact CD1-CG 4.07Å |
| 273 | S | 84.1 | Confident | 83.6 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.4 | -60 | 0 | 0 | 0 | 0 | 112 | F269 S270 C275 F276 L277 | F269-S273 WeakPolarHBondContact O-CB 3.32Å; F269-S273 PolarHBondContact O-N 3.12Å; F269-S273 PolarHBondContact O-OG 3.36Å; S270-S273 PolarHBondContact O-N 2.88Å; S273-C275 VanDerWaalsContact C-N 3.27Å; S273-C275 PolarHBondContact O-N 3.45Å; S273-F276 PolarHBondContact O-N 2.87Å; S273-L277 WeakPolarHBondContact O-CA 3.33Å; S273-L277 PolarHBondContact O-N 3.05Å |
| 274 | T | 79.8 | Confident | 83.7 | Confident | 94 Ų | 94 | 32.7 Ų | 32.7 | 58% | 0.577 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -62.4 | -39.5 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 111 | S270 R271 L272 L277 | S270-T274 PolarHBondContact O-N 3.33Å; S270-T274 VanDerWaalsContact O-N 3.1Å; S270-T274 PolarHBondContact O-OG1 3.17Å; R271-T274 PolarHBondContact O-N 2.96Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 3.38Å; T274-L277 WeakPolarHBondContact O-CB 3.35Å; T274-L277 PolarHBondContact O-N 2.74Å |
| 275 | C | 81.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.1 | -40.4 | -179.9 | -73.4 | 0 | 0 | 0 | 0 | 113.2 | C242 E245 R271 L272 S273 L277 | C242-C275 HydrophobicContact CB-CB 3.67Å; C242-C275 WeakPolarHBondContact SG-CB 3.28Å; E245-C275 VanDerWaalsContact CG-SG 3.56Å; R271-C275 WeakPolarHBondContact O-CB 3.44Å; R271-C275 PolarHBondContact O-N 2.97Å; R271-C275 PolarHBondContact O-SG 3.18Å; L272-C275 WeakPolarHBondContact O-CB 3.33Å; L272-C275 PolarHBondContact O-N 3.47Å; S273-C275 VanDerWaalsContact C-N 3.27Å; S273-C275 PolarHBondContact O-N 3.45Å; C275-L277 VanDerWaalsContact C-N 3.3Å |
| 276 | F | 81.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -86.2 | 3.3 | 176.6 | -69.6 | -60.2 | 0 | 0 | 0 | 114 | F80 W84 V238 L272 S273 L278 W279 T280 F408 I412 | F80-F276 AromaticContact CZ-CZ 3.84Å; F80-F276 HydrophobicContact CZ-CZ 3.84Å; W84-F276 HydrophobicContact CE3-CE1 4.07Å; W84-F276 AromaticContact CE3-CZ 3.95Å; W84-F276 HydrophobicContact CE3-CZ 3.95Å; W84-F276 HydrophobicContact CH2-CD1 4.3Å; W84-F276 AromaticContact CH2-CE1 3.55Å; W84-F276 HydrophobicContact CH2-CE1 3.55Å; W84-F276 HydrophobicContact CH2-CZ 4.23Å; W84-F276 HydrophobicContact CZ3-CD1 4.14Å; W84-F276 AromaticContact CZ3-CE1 3.11Å; W84-F276 HydrophobicContact CZ3-CE1 3.11Å; W84-F276 AromaticContact CZ3-CZ 3.34Å; W84-F276 HydrophobicContact CZ3-CZ 3.34Å; V238-F276 HydrophobicContact CG1-CE1 3.93Å; V238-F276 HydrophobicContact CG1-CZ 4.4Å; L272-F276 HydrophobicContact CB-CD2 4.23Å; L272-F276 HydrophobicContact CB-CE2 4.29Å; L272-F276 HydrophobicContact CD2-CE2 4.4Å; L272-F276 WeakPolarHBondContact O-CD2 3.3Å; L272-F276 PolarHBondContact O-N 2.72Å; S273-F276 PolarHBondContact O-N 2.87Å; F276-L278 PolarHBondContact O-N 3Å; F276-W279 CarbonylContact O-C 3.4Å; F276-W279 WeakPolarHBondContact O-CA 3.33Å; F276-W279 WeakPolarHBondContact O-CB 3.44Å; F276-W279 PolarHBondContact O-N 2.82Å; F276-T280 PolarHBondContact O-N 2.76Å; F276-F408 HydrophobicContact CD1-CD1 4.39Å; F276-I412 HydrophobicContact CB-CD1 4.18Å; F276-I412 HydrophobicContact CD2-CD1 4.11Å; F276-I412 HydrophobicContact CD2-CG1 3.6Å; F276-I412 HydrophobicContact CE2-CG1 4.23Å; F276-I412 HydrophobicContact CG-CG1 4.42Å |
| 277 | L | 75.5 | Confident | 84.7 | Confident | 28 Ų | 28 | 30.4 Ų | 30.4 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -47.4 | -39.1 | -176.4 | 176.4 | 61.1 | 0 | 0 | 0 | 113.6 | S273 T274 C275 W279 T280 I449 N451 | S273-L277 WeakPolarHBondContact O-CA 3.33Å; S273-L277 PolarHBondContact O-N 3.05Å; T274-L277 WeakPolarHBondContact O-CB 3.35Å; T274-L277 PolarHBondContact O-N 2.74Å; C275-L277 VanDerWaalsContact C-N 3.3Å; L277-W279 VanDerWaalsContact C-N 3.29Å; L277-W279 PolarHBondContact O-N 3.3Å; L277-T280 PolarHBondContact O-OG1 2.92Å; L277-I449 VanDerWaalsContact CD1-C 3.43Å; L277-I449 HydrophobicContact CD1-CB 4.18Å; L277-I449 HydrophobicContact CD1-CG2 4.31Å; L277-I449 WeakPolarHBondContact CD1-O 3.03Å; L277-I449 HydrophobicContact CD2-CG2 4.36Å; L277-N451 HydrophobicContact CD1-CB 4.25Å; L277-N451 HydrophobicContact CD2-CB 4.09Å; L277-N451 HydrophobicContact CG-CB 4.06Å |
| 278 | L | 69.5 | Low | 85.1 | Confident | 40 Ų | 40 | 32.4 Ų | 32.4 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.5 | -24 | -178.2 | -57.4 | 172.6 | 0 | 0 | 0 | 112.5 | F276 F454 L455 | F276-L278 PolarHBondContact O-N 3Å; L278-F454 HydrophobicContact CB-CB 3.9Å; L278-F454 HydrophobicContact CB-CD1 3.72Å; L278-F454 HydrophobicContact CB-CE1 4.46Å; L278-F454 HydrophobicContact CB-CG 3.96Å; L278-F454 HydrophobicContact CD1-CB 4.07Å; L278-F454 HydrophobicContact CD1-CD1 3.72Å; L278-F454 HydrophobicContact CD1-CD2 3.7Å; L278-F454 HydrophobicContact CD1-CE1 3.97Å; L278-F454 HydrophobicContact CD1-CE2 3.96Å; L278-F454 HydrophobicContact CD1-CG 3.57Å; L278-F454 HydrophobicContact CD1-CZ 4.08Å; L278-F454 HydrophobicContact CD2-CB 3.27Å; L278-F454 HydrophobicContact CD2-CD1 4.45Å; L278-F454 HydrophobicContact CD2-CD2 4.26Å; L278-F454 HydrophobicContact CD2-CG 3.8Å; L278-F454 HydrophobicContact CG-CB 3.88Å; L278-F454 HydrophobicContact CG-CD1 4.12Å; L278-F454 HydrophobicContact CG-CD2 4.44Å; L278-F454 HydrophobicContact CG-CG 3.93Å; L278-L455 WeakPolarHBondContact O-CD2 3.03Å; L278-L455 WeakPolarHBondContact O-CG 3.26Å |
| 279 | W | 78.9 | Confident | 85.3 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -93.6 | -22.5 | 179.2 | -64.1 | 105.6 | 0 | 0 | 0 | 113.3 | L233 I236 F276 L277 A281 F282 F408 L455 A461 | L233-W279 HydrophobicContact CD2-CZ3 4.26Å; I236-W279 HydrophobicContact CD1-CH2 3.61Å; I236-W279 HydrophobicContact CD1-CZ2 4.45Å; I236-W279 HydrophobicContact CD1-CZ3 4.06Å; I236-W279 HydrophobicContact CG2-CH2 3.85Å; I236-W279 HydrophobicContact CG2-CZ2 3.64Å; F276-W279 CarbonylContact O-C 3.4Å; F276-W279 WeakPolarHBondContact O-CA 3.33Å; F276-W279 WeakPolarHBondContact O-CB 3.44Å; F276-W279 PolarHBondContact O-N 2.82Å; L277-W279 VanDerWaalsContact C-N 3.29Å; L277-W279 PolarHBondContact O-N 3.3Å; W279-A281 PolarHBondContact O-N 3.11Å; W279-F282 WeakPolarHBondContact O-CA 3.38Å; W279-F282 WeakPolarHBondContact O-CB 3.49Å; W279-F282 PolarHBondContact O-N 3.34Å; W279-F408 HydrophobicContact CB-CD1 3.34Å; W279-F408 HydrophobicContact CB-CD2 4.09Å; W279-F408 HydrophobicContact CB-CE1 3.3Å; W279-F408 HydrophobicContact CB-CE2 4.08Å; W279-F408 HydrophobicContact CB-CG 3.74Å; W279-F408 HydrophobicContact CB-CZ 3.71Å; W279-F408 AromaticContact CD2-CE1 3.88Å; W279-F408 HydrophobicContact CD2-CE1 3.88Å; W279-F408 AromaticContact CD2-CZ 3.89Å; W279-F408 HydrophobicContact CD2-CZ 3.89Å; W279-F408 HydrophobicContact CE3-CE1 4.07Å; W279-F408 HydrophobicContact CE3-CE2 4.28Å; W279-F408 AromaticContact CE3-CZ 3.58Å; W279-F408 HydrophobicContact CE3-CZ 3.58Å; W279-F408 HydrophobicContact CG-CD1 4.05Å; W279-F408 AromaticContact CG-CE1 3.57Å; W279-F408 HydrophobicContact CG-CE1 3.57Å; W279-F408 AromaticContact CG-CZ 3.98Å; W279-F408 HydrophobicContact CG-CZ 3.98Å; W279-F408 HydrophobicContact CZ3-CZ 4.49Å; W279-F408 VanDerWaalsContact O-CD2 3.31Å; W279-F408 WeakPolarHBondContact O-CD2 3.3Å; W279-L455 HydrophobicContact CE3-CD2 4.4Å; W279-A461 HydrophobicContact CZ3-CB 4.39Å |
| 280 | T | 77 | Confident | 85.7 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -27.6 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | F276 L277 F282 D283 | F276-T280 PolarHBondContact O-N 2.76Å; L277-T280 PolarHBondContact O-OG1 2.92Å; T280-F282 PolarHBondContact O-N 3.24Å; T280-D283 VanDerWaalsContact O-CB 3.3Å; T280-D283 WeakPolarHBondContact O-CB 3.35Å; T280-D283 PolarHBondContact O-N 2.93Å; T280-D283 VanDerWaalsContact O-N 3.11Å |
| 281 | A | 77.6 | Confident | 86.2 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 13% | 0.132 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W279 D283 E452 L455 | W279-A281 PolarHBondContact O-N 3.11Å; A281-D283 VanDerWaalsContact C-N 3.32Å; A281-E452 HydrophobicContact CB-CG 4.24Å; A281-L455 VanDerWaalsContact C-CD1 3.44Å; A281-L455 HydrophobicContact CB-CD1 3.36Å; A281-L455 HydrophobicContact CB-CG 4.33Å |
| 282 | F | 85.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.5 | 173.3 | -177.5 | -91.4 | 0 | 0 | 0 | 111.8 | V229 L233 W279 T280 K284 Y285 W286 F408 L455 V464 I465 L468 | V229-F282 HydrophobicContact CG1-CZ 4.01Å; L233-F282 HydrophobicContact CD1-CE1 3.93Å; L233-F282 HydrophobicContact CD1-CZ 4.02Å; W279-F282 WeakPolarHBondContact O-CA 3.38Å; W279-F282 WeakPolarHBondContact O-CB 3.49Å; W279-F282 PolarHBondContact O-N 3.34Å; T280-F282 PolarHBondContact O-N 3.24Å; F282-K284 PolarHBondContact O-N 3.28Å; F282-Y285 PolarHBondContact O-N 2.88Å; F282-W286 HydrophobicContact CD1-CB 4.02Å; F282-W286 HydrophobicContact CE1-CB 3.77Å; F282-W286 HydrophobicContact CE1-CD2 4.33Å; F282-W286 AromaticContact CE1-CE3 3.93Å; F282-W286 HydrophobicContact CE1-CE3 3.93Å; F282-W286 HydrophobicContact CE1-CG 4.32Å; F282-W286 HydrophobicContact CZ-CE3 4.29Å; F282-W286 PolarHBondContact O-N 3.44Å; F282-W286 VanDerWaalsContact O-N 3.15Å; F282-F408 HydrophobicContact CB-CD2 4.04Å; F282-F408 HydrophobicContact CB-CE2 3.73Å; F282-F408 AromaticContact CD1-CD2 3.96Å; F282-F408 HydrophobicContact CD1-CD2 3.96Å; F282-F408 AromaticContact CD1-CE2 3.44Å; F282-F408 HydrophobicContact CD1-CE2 3.44Å; F282-F408 VanDerWaalsContact CD1-CE2 3.44Å; F282-F408 HydrophobicContact CE1-CE2 4.18Å; F282-F408 HydrophobicContact CG-CD2 4.39Å; F282-F408 AromaticContact CG-CE2 3.77Å; F282-F408 HydrophobicContact CG-CE2 3.77Å; F282-L455 HydrophobicContact CB-CD1 4.38Å; F282-V464 HydrophobicContact CE2-CB 4.45Å; F282-V464 HydrophobicContact CE2-CG1 3.53Å; F282-V464 HydrophobicContact CZ-CG1 3.73Å; F282-I465 HydrophobicContact CD2-CD1 4.38Å; F282-I465 HydrophobicContact CD2-CG1 3.92Å; F282-I465 HydrophobicContact CE2-CG1 4.09Å; F282-L468 HydrophobicContact CE1-CD1 4.24Å; F282-L468 HydrophobicContact CE2-CD1 3.93Å; F282-L468 HydrophobicContact CZ-CD1 3.48Å; F282-L468 VanDerWaalsContact CZ-CD1 3.48Å |
| 283 | D | 89.2 | Confident | 86.8 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.5 | -31 | -177.4 | -77.6 | -14.2 | 0 | 0 | 0 | 111.4 | T280 A281 L287 K406 P407 F408 S409 | T280-D283 VanDerWaalsContact O-CB 3.3Å; T280-D283 WeakPolarHBondContact O-CB 3.35Å; T280-D283 PolarHBondContact O-N 2.93Å; T280-D283 VanDerWaalsContact O-N 3.11Å; A281-D283 VanDerWaalsContact C-N 3.32Å; D283-L287 WeakPolarHBondContact O-CB 3.09Å; D283-L287 PolarHBondContact O-N 3.04Å; D283-K406 HydrophobicContact CB-CB 4.18Å; D283-K406 HydrophobicContact CB-CG 4.29Å; D283-K406 VanDerWaalsContact OD1-C 3.31Å; D283-P407 WeakPolarHBondContact OD1-CD 3.41Å; D283-P407 WeakPolarHBondContact OD1-CG 3.07Å; D283-P407 VanDerWaalsContact OD1-N 3.11Å; D283-F408 WeakPolarHBondContact OD1-CB 3.4Å; D283-F408 WeakPolarHBondContact OD1-CD2 3.04Å; D283-F408 PolarHBondContact OD1-N 3.43Å; D283-S409 WeakPolarHBondContact OD2-CB 3.14Å; D283-S409 PolarHBondContact OD2-N 3.32Å; D283-S409 PolarHBondContact OD2-OG 3.46Å |
| 284 | K | 89.5 | Confident | 87.4 | Confident | 127 Ų | 127 | 28.3 Ų | 28.3 | 55% | 0.552 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -61.9 | -44.2 | 176.3 | 179.6 | -177.5 | 176.7 | -179.2 | 0 | 113 | F282 S288 | F282-K284 PolarHBondContact O-N 3.28Å; K284-S288 PolarHBondContact O-N 3.22Å |
| 285 | Y | 91.2 | Very high | 88 | Confident | 64 Ų | 64 | 30.4 Ų | 30.4 | 25% | 0.251 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -72.7 | -43.4 | -179.1 | -60 | -76.4 | 0 | 0 | 0 | 110.8 | F282 S288 F289 I465 Q469 | F282-Y285 PolarHBondContact O-N 2.88Å; Y285-S288 PolarHBondContact O-N 2.85Å; Y285-F289 PolarHBondContact O-N 3.36Å; Y285-I465 HydrophobicContact CD1-CG2 3.67Å; Y285-I465 HydrophobicContact CD2-CD1 4Å; Y285-I465 HydrophobicContact CD2-CG1 3.87Å; Y285-I465 HydrophobicContact CD2-CG2 4.01Å; Y285-I465 HydrophobicContact CE1-CG2 3.6Å; Y285-I465 HydrophobicContact CE2-CD1 3.89Å; Y285-I465 HydrophobicContact CE2-CG1 4.19Å; Y285-I465 HydrophobicContact CE2-CG2 3.97Å; Y285-I465 HydrophobicContact CG-CG1 4.22Å; Y285-I465 HydrophobicContact CG-CG2 3.86Å; Y285-Q469 HydrophobicContact CD1-CG 3.76Å; Y285-Q469 HydrophobicContact CE1-CG 4.17Å |
| 286 | W | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.5 | -175.4 | -88.9 | 0 | 0 | 0 | 112.5 | I91 L95 V229 V230 F282 S288 F289 I290 V404 P407 L468 | I91-W286 HydrophobicContact CG2-CZ2 4.19Å; L95-W286 HydrophobicContact CD1-CH2 3.97Å; L95-W286 HydrophobicContact CD1-CZ2 4.4Å; V229-W286 HydrophobicContact CB-CZ3 4.38Å; V229-W286 HydrophobicContact CG1-CE3 4.32Å; V229-W286 HydrophobicContact CG1-CZ3 3.86Å; V230-W286 HydrophobicContact CG2-CH2 3.32Å; V230-W286 HydrophobicContact CG2-CZ2 4.09Å; V230-W286 HydrophobicContact CG2-CZ3 3.86Å; F282-W286 HydrophobicContact CD1-CB 4.02Å; F282-W286 HydrophobicContact CE1-CB 3.77Å; F282-W286 HydrophobicContact CE1-CD2 4.33Å; F282-W286 AromaticContact CE1-CE3 3.93Å; F282-W286 HydrophobicContact CE1-CE3 3.93Å; F282-W286 HydrophobicContact CE1-CG 4.32Å; F282-W286 HydrophobicContact CZ-CE3 4.29Å; F282-W286 PolarHBondContact O-N 3.44Å; F282-W286 VanDerWaalsContact O-N 3.15Å; W286-S288 VanDerWaalsContact C-N 3.32Å; W286-S288 PolarHBondContact O-N 3.49Å; W286-F289 HydrophobicContact CD2-CD1 4.44Å; W286-F289 HydrophobicContact CE3-CD1 4.25Å; W286-F289 HydrophobicContact CH2-CE1 4.26Å; W286-F289 HydrophobicContact CZ3-CD1 4.31Å; W286-F289 HydrophobicContact CZ3-CE1 4.27Å; W286-F289 WeakPolarHBondContact O-CB 3.46Å; W286-F289 PolarHBondContact O-N 2.86Å; W286-I290 HydrophobicContact CD2-CG1 4.39Å; W286-I290 HydrophobicContact CG-CG1 4.37Å; W286-I290 HydrophobicContact CZ2-CD1 3.89Å; W286-I290 HydrophobicContact CZ2-CG1 4.25Å; W286-I290 VanDerWaalsContact NE1-CG1 3.29Å; W286-I290 WeakPolarHBondContact O-CG1 3.48Å; W286-I290 PolarHBondContact O-N 2.5Å; W286-V404 PolarHBondContact NE1-O 2.93Å; W286-P407 HydrophobicContact CB-CG 4.13Å; W286-P407 HydrophobicContact CD2-CG 4.1Å; W286-P407 HydrophobicContact CG-CG 3.65Å; W286-L468 HydrophobicContact CE3-CD1 4.14Å; W286-L468 HydrophobicContact CE3-CD2 4.43Å |
| 287 | L | 94.7 | Very high | 89.2 | Confident | 45 Ų | 45 | 29.8 Ų | 29.8 | 24% | 0.236 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56 | -47.7 | 174.7 | 176.1 | 69.4 | 0 | 0 | 0 | 111.1 | D283 F289 I290 D291 R405 | D283-L287 WeakPolarHBondContact O-CB 3.09Å; D283-L287 PolarHBondContact O-N 3.04Å; L287-F289 VanDerWaalsContact C-N 3.33Å; L287-F289 PolarHBondContact O-N 3.19Å; L287-I290 PolarHBondContact O-N 3.18Å; L287-D291 WeakPolarHBondContact O-CB 3.39Å; L287-D291 PolarHBondContact O-N 2.91Å; L287-R405 WeakPolarHBondContact CA-O 3.49Å; L287-R405 HydrophobicContact CD1-CB 3.7Å; L287-R405 HydrophobicContact CD1-CG 4.14Å; L287-R405 VanDerWaalsContact CD1-NE 3.27Å |
| 288 | S | 94.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 32 Ų | 32 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 178.6 | -164.8 | 0 | 0 | 0 | 0 | 111.7 | K284 Y285 W286 D291 Q292 | K284-S288 PolarHBondContact O-N 3.22Å; Y285-S288 PolarHBondContact O-N 2.85Å; W286-S288 VanDerWaalsContact C-N 3.32Å; W286-S288 PolarHBondContact O-N 3.49Å; S288-D291 PolarHBondContact O-N 3.25Å; S288-Q292 WeakPolarHBondContact O-CG 3.35Å; S288-Q292 PolarHBondContact O-N 3.25Å; S288-Q292 VanDerWaalsContact O-N 3.13Å |
| 289 | F | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | 176.6 | 165.2 | -106.1 | 0 | 0 | 0 | 112.5 | G222 Y285 W286 L287 D291 Q292 I293 L468 I471 T472 M475 | G222-F289 WeakPolarHBondContact O-CZ 3.32Å; Y285-F289 PolarHBondContact O-N 3.36Å; W286-F289 HydrophobicContact CD2-CD1 4.44Å; W286-F289 HydrophobicContact CE3-CD1 4.25Å; W286-F289 HydrophobicContact CH2-CE1 4.26Å; W286-F289 HydrophobicContact CZ3-CD1 4.31Å; W286-F289 HydrophobicContact CZ3-CE1 4.27Å; W286-F289 WeakPolarHBondContact O-CB 3.46Å; W286-F289 PolarHBondContact O-N 2.86Å; L287-F289 VanDerWaalsContact C-N 3.33Å; L287-F289 PolarHBondContact O-N 3.19Å; F289-D291 VanDerWaalsContact C-N 3.29Å; F289-D291 PolarHBondContact O-N 3.49Å; F289-Q292 PolarHBondContact O-N 3.01Å; F289-I293 HydrophobicContact CD2-CG1 4.35Å; F289-I293 HydrophobicContact CE1-CG1 4.08Å; F289-I293 HydrophobicContact CE2-CD1 3.89Å; F289-I293 HydrophobicContact CE2-CG1 3.88Å; F289-I293 HydrophobicContact CZ-CD1 3.8Å; F289-I293 HydrophobicContact CZ-CG1 3.71Å; F289-I293 WeakPolarHBondContact O-CG1 3.37Å; F289-I293 PolarHBondContact O-N 3.49Å; F289-L468 HydrophobicContact CB-CD2 4.12Å; F289-L468 HydrophobicContact CD1-CD2 3.91Å; F289-L468 HydrophobicContact CD2-CD2 3.99Å; F289-L468 HydrophobicContact CE1-CD2 4.35Å; F289-L468 HydrophobicContact CE2-CD2 4.41Å; F289-L468 HydrophobicContact CG-CD2 3.73Å; F289-I471 HydrophobicContact CD2-CG2 3.68Å; F289-I471 HydrophobicContact CE2-CG2 3.81Å; F289-T472 WeakPolarHBondContact CA-OG1 3.43Å; F289-M475 HydrophobicContact CE2-CE 4.14Å |
| 290 | I | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 178.4 | -67.4 | -61.5 | 0 | 0 | 0 | 111.4 | W286 L287 Q292 I293 V294 Y401 R405 | W286-I290 HydrophobicContact CD2-CG1 4.39Å; W286-I290 HydrophobicContact CG-CG1 4.37Å; W286-I290 HydrophobicContact CZ2-CD1 3.89Å; W286-I290 HydrophobicContact CZ2-CG1 4.25Å; W286-I290 VanDerWaalsContact NE1-CG1 3.29Å; W286-I290 WeakPolarHBondContact O-CG1 3.48Å; W286-I290 PolarHBondContact O-N 2.5Å; L287-I290 PolarHBondContact O-N 3.18Å; I290-Q292 VanDerWaalsContact C-N 3.25Å; I290-Q292 PolarHBondContact O-N 3.47Å; I290-I293 WeakPolarHBondContact O-CB 3.43Å; I290-I293 PolarHBondContact O-N 2.99Å; I290-V294 HydrophobicContact CG2-CG2 4.41Å; I290-V294 WeakPolarHBondContact O-CG2 3.28Å; I290-V294 PolarHBondContact O-N 2.94Å; I290-Y401 HydrophobicContact CD1-CD1 4.26Å; I290-R405 HydrophobicContact CB-CG 4.34Å; I290-R405 HydrophobicContact CG2-CG 3.64Å |
| 291 | D | 95.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -35.7 | 175.6 | -77 | 3.9 | 0 | 0 | 0 | 111.6 | L287 S288 F289 R295 R405 | L287-D291 WeakPolarHBondContact O-CB 3.39Å; L287-D291 PolarHBondContact O-N 2.91Å; S288-D291 PolarHBondContact O-N 3.25Å; F289-D291 VanDerWaalsContact C-N 3.29Å; F289-D291 PolarHBondContact O-N 3.49Å; D291-R295 WeakPolarHBondContact O-CB 3.42Å; D291-R295 WeakPolarHBondContact O-CD 3.39Å; D291-R295 WeakPolarHBondContact O-CG 3.3Å; D291-R295 PolarHBondContact O-N 2.98Å; D291-R295 VanDerWaalsContact O-N 3.08Å; D291-R405 IonicContact OD1-CZ 3.69Å; D291-R405 IonicContact OD1-NE 3.62Å; D291-R405 PolarHBondContact OD1-NE 2.7Å; D291-R405 IonicContact OD1-NH2 3.18Å; D291-R405 PolarHBondContact OD1-NH2 2.9Å; D291-R405 IonicContact OD2-CZ 2.79Å; D291-R405 IonicContact OD2-NH2 3.95Å; D291-R405 PolarHBondContact OD2-NH2 3.35Å |
| 292 | Q | 94.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.5 | -41 | 172.8 | -62.5 | -46.8 | -48.1 | 0 | 0 | 112.6 | S288 F289 I290 V294 R295 V296 T472 M475 Q476 | S288-Q292 WeakPolarHBondContact O-CG 3.35Å; S288-Q292 PolarHBondContact O-N 3.25Å; S288-Q292 VanDerWaalsContact O-N 3.13Å; F289-Q292 PolarHBondContact O-N 3.01Å; I290-Q292 VanDerWaalsContact C-N 3.25Å; I290-Q292 PolarHBondContact O-N 3.47Å; Q292-V294 VanDerWaalsContact C-N 3.27Å; Q292-V294 PolarHBondContact O-N 3.45Å; Q292-R295 PolarHBondContact O-N 3.05Å; Q292-R295 VanDerWaalsContact O-N 3.12Å; Q292-V296 VanDerWaalsContact O-CG2 3.32Å; Q292-V296 WeakPolarHBondContact O-CG2 3.02Å; Q292-V296 PolarHBondContact O-N 3.31Å; Q292-T472 HydrophobicContact CG-CG2 3.51Å; Q292-M475 HydrophobicContact CB-CB 3.88Å; Q292-M475 HydrophobicContact CB-CG 4.39Å; Q292-M475 HydrophobicContact CB-SD 3.57Å; Q292-M475 VanDerWaalsContact CB-SD 3.57Å; Q292-M475 HydrophobicContact CG-CB 4.36Å; Q292-Q476 HydrophobicContact CG-CG 4.02Å; Q292-Q476 VanDerWaalsContact NE2-NE2 3.16Å; Q292-Q476 VanDerWaalsContact OE1-CG 3.28Å |
| 293 | I | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.8 | -50.2 | 173.9 | -69.6 | -70.8 | 0 | 0 | 0 | 110.4 | L219 L223 F289 I290 V296 A297 I397 Y401 M475 | L219-I293 HydrophobicContact CD1-CB 4.34Å; L219-I293 HydrophobicContact CD1-CD1 3.79Å; L219-I293 HydrophobicContact CD1-CG2 3.86Å; L223-I293 HydrophobicContact CD2-CD1 4.16Å; L223-I293 HydrophobicContact CD2-CG2 3.93Å; L223-I293 HydrophobicContact CG-CD1 4.17Å; F289-I293 HydrophobicContact CD2-CG1 4.35Å; F289-I293 HydrophobicContact CE1-CG1 4.08Å; F289-I293 HydrophobicContact CE2-CD1 3.89Å; F289-I293 HydrophobicContact CE2-CG1 3.88Å; F289-I293 HydrophobicContact CZ-CD1 3.8Å; F289-I293 HydrophobicContact CZ-CG1 3.71Å; F289-I293 WeakPolarHBondContact O-CG1 3.37Å; F289-I293 PolarHBondContact O-N 3.49Å; I290-I293 WeakPolarHBondContact O-CB 3.43Å; I290-I293 PolarHBondContact O-N 2.99Å; I293-V296 PolarHBondContact O-N 2.62Å; I293-A297 WeakPolarHBondContact O-CB 3.35Å; I293-A297 PolarHBondContact O-N 2.87Å; I293-I397 HydrophobicContact CG2-CG2 4.09Å; I293-Y401 HydrophobicContact CG2-CD2 4.48Å; I293-M475 HydrophobicContact CD1-CE 3.45Å; I293-M475 VanDerWaalsContact CD1-CE 3.45Å; I293-M475 HydrophobicContact CD1-SD 4.25Å; I293-M475 HydrophobicContact CG1-CE 4.28Å |
| 294 | V | 95 | Very high | 90.1 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | I290 Q292 A297 E298 H398 | I290-V294 HydrophobicContact CG2-CG2 4.41Å; I290-V294 WeakPolarHBondContact O-CG2 3.28Å; I290-V294 PolarHBondContact O-N 2.94Å; Q292-V294 VanDerWaalsContact C-N 3.27Å; Q292-V294 PolarHBondContact O-N 3.45Å; V294-A297 PolarHBondContact O-N 2.85Å; V294-E298 WeakPolarHBondContact O-CB 3.36Å; V294-E298 WeakPolarHBondContact O-CG 3.47Å; V294-E298 PolarHBondContact O-N 2.89Å; V294-H398 HydrophobicContact CG1-CB 4.32Å |
| 295 | R | 93.7 | Very high | 89.1 | Confident | 138 Ų | 138 | 36.7 Ų | 36.7 | 52% | 0.521 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.7 | -73.9 | 169.1 | -172.9 | -158.9 | 4.2 | 113.1 | D291 Q292 E298 R299 I479 | D291-R295 WeakPolarHBondContact O-CB 3.42Å; D291-R295 WeakPolarHBondContact O-CD 3.39Å; D291-R295 WeakPolarHBondContact O-CG 3.3Å; D291-R295 PolarHBondContact O-N 2.98Å; D291-R295 VanDerWaalsContact O-N 3.08Å; Q292-R295 PolarHBondContact O-N 3.05Å; Q292-R295 VanDerWaalsContact O-N 3.12Å; R295-E298 PolarHBondContact O-N 3.16Å; R295-R299 PolarHBondContact O-N 2.97Å; R295-I479 HydrophobicContact CB-CD1 3.76Å |
| 296 | V | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | P215 I218 L219 Q292 I293 E298 R299 L300 M475 I479 | P215-V296 HydrophobicContact CB-CG1 4Å; P215-V296 WeakPolarHBondContact O-CG1 3.3Å; I218-V296 HydrophobicContact CG2-CG1 4.17Å; I218-V296 HydrophobicContact CG2-CG2 4.4Å; L219-V296 HydrophobicContact CB-CB 4.36Å; L219-V296 HydrophobicContact CB-CG1 3.74Å; L219-V296 HydrophobicContact CD1-CB 4.38Å; L219-V296 HydrophobicContact CD2-CG1 4.41Å; L219-V296 HydrophobicContact CG-CG1 4.5Å; Q292-V296 VanDerWaalsContact O-CG2 3.32Å; Q292-V296 WeakPolarHBondContact O-CG2 3.02Å; Q292-V296 PolarHBondContact O-N 3.31Å; I293-V296 PolarHBondContact O-N 2.62Å; V296-E298 VanDerWaalsContact C-N 3.35Å; V296-E298 PolarHBondContact O-N 2.82Å; V296-R299 VanDerWaalsContact O-CB 3.31Å; V296-R299 WeakPolarHBondContact O-CB 3.45Å; V296-R299 PolarHBondContact O-N 3.15Å; V296-R299 VanDerWaalsContact O-N 3.17Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.86Å; V296-L300 VanDerWaalsContact O-N 3.14Å; V296-M475 HydrophobicContact CG2-CB 3.95Å; V296-M475 HydrophobicContact CG2-CG 4.04Å; V296-M475 HydrophobicContact CG2-SD 4.45Å; V296-I479 HydrophobicContact CB-CD1 4.37Å; V296-I479 HydrophobicContact CG2-CD1 3.47Å; V296-I479 VanDerWaalsContact CG2-CD1 3.47Å; V296-I479 HydrophobicContact CG2-CG1 3.88Å |
| 297 | A | 93.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L219 I293 V294 R299 L300 A394 I397 | L219-A297 HydrophobicContact CD2-CB 3.94Å; I293-A297 WeakPolarHBondContact O-CB 3.35Å; I293-A297 PolarHBondContact O-N 2.87Å; V294-A297 PolarHBondContact O-N 2.85Å; A297-R299 VanDerWaalsContact C-N 3.28Å; A297-R299 PolarHBondContact O-N 3.38Å; A297-L300 WeakPolarHBondContact O-CB 3.07Å; A297-L300 PolarHBondContact O-N 3.49Å; A297-L300 VanDerWaalsContact O-N 3.12Å; A297-A394 HydrophobicContact CB-CB 4.44Å; A297-A394 WeakPolarHBondContact O-CB 3.37Å; A297-I397 HydrophobicContact CB-CB 4.08Å; A297-I397 HydrophobicContact CB-CG1 4.33Å; A297-I397 HydrophobicContact CB-CG2 3.78Å |
| 298 | E | 91.5 | Very high | 84.5 | Confident | 73 Ų | 73 | 35.2 Ų | 35.2 | 34% | 0.341 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -39.1 | 174.4 | -78.9 | -64 | 142 | 0 | 0 | 112.3 | V294 R295 V296 L300 K301 | V294-E298 WeakPolarHBondContact O-CB 3.36Å; V294-E298 WeakPolarHBondContact O-CG 3.47Å; V294-E298 PolarHBondContact O-N 2.89Å; R295-E298 PolarHBondContact O-N 3.16Å; V296-E298 VanDerWaalsContact C-N 3.35Å; V296-E298 PolarHBondContact O-N 2.82Å; E298-L300 VanDerWaalsContact C-N 3.29Å; E298-L300 PolarHBondContact O-N 2.79Å; E298-K301 VanDerWaalsContact CD-NZ 3.29Å; E298-K301 WeakPolarHBondContact O-CB 3.35Å; E298-K301 PolarHBondContact O-N 3.04Å; E298-K301 IonicContact OE1-NZ 3.56Å; E298-K301 PolarHBondContact OE1-NZ 3.07Å; E298-K301 WeakPolarHBondContact OE2-CD 3.28Å; E298-K301 WeakPolarHBondContact OE2-CE 3.21Å; E298-K301 IonicContact OE2-NZ 3.58Å; E298-K301 PolarHBondContact OE2-NZ 2.75Å |
| 299 | R | 90 | Very high | 82.7 | Confident | 55 Ų | 55 | 34 Ų | 34 | 21% | 0.208 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 174.9 | 177.8 | 64.1 | -179.5 | 112.1 | 2.4 | 110.7 | R295 V296 A297 K301 D302 I305 | R295-R299 PolarHBondContact O-N 2.97Å; V296-R299 VanDerWaalsContact O-CB 3.31Å; V296-R299 WeakPolarHBondContact O-CB 3.45Å; V296-R299 PolarHBondContact O-N 3.15Å; V296-R299 VanDerWaalsContact O-N 3.17Å; A297-R299 VanDerWaalsContact C-N 3.28Å; A297-R299 PolarHBondContact O-N 3.38Å; R299-K301 PolarHBondContact O-N 3.37Å; R299-K301 VanDerWaalsContact O-N 3.1Å; R299-D302 IonicContact CZ-OD2 2.64Å; R299-D302 IonicContact NH1-OD2 2.82Å; R299-D302 PolarHBondContact NH1-OD2 3.14Å; R299-D302 WeakPolarHBondContact O-CB 3.34Å; R299-D302 PolarHBondContact O-N 2.63Å; R299-D302 VanDerWaalsContact O-N 3.1Å; R299-I305 HydrophobicContact CG-CD1 3.92Å; R299-I305 WeakPolarHBondContact O-CD1 3.45Å |
| 300 | L | 88.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -18.3 | -179.8 | -64.7 | -178.3 | 0 | 0 | 0 | 114.6 | L102 P215 S216 L219 V296 A297 E298 D302 F306 L390 W393 | L102-L300 HydrophobicContact CD1-CD1 4Å; L102-L300 HydrophobicContact CD2-CD1 4.39Å; P215-L300 HydrophobicContact CB-CD2 3.81Å; S216-L300 WeakPolarHBondContact OG-CD2 3.24Å; L219-L300 HydrophobicContact CD2-CD1 3.6Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.86Å; V296-L300 VanDerWaalsContact O-N 3.14Å; A297-L300 WeakPolarHBondContact O-CB 3.07Å; A297-L300 PolarHBondContact O-N 3.49Å; A297-L300 VanDerWaalsContact O-N 3.12Å; E298-L300 VanDerWaalsContact C-N 3.29Å; E298-L300 PolarHBondContact O-N 2.79Å; L300-D302 PolarHBondContact O-N 2.86Å; L300-F306 HydrophobicContact CD2-CZ 4.41Å; L300-F306 WeakPolarHBondContact O-CE2 3.31Å; L300-L390 HydrophobicContact CB-CD2 4.44Å; L300-W393 HydrophobicContact CD1-CZ3 4.26Å |
| 301 | K | 85.8 | Confident | 80.1 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5.5 | 175.7 | -62.2 | 164.4 | 57.7 | -179.5 | 0 | 113.6 | E298 R299 S303 Y387 K391 A394 D395 | E298-K301 VanDerWaalsContact CD-NZ 3.29Å; E298-K301 WeakPolarHBondContact O-CB 3.35Å; E298-K301 PolarHBondContact O-N 3.04Å; E298-K301 IonicContact OE1-NZ 3.56Å; E298-K301 PolarHBondContact OE1-NZ 3.07Å; E298-K301 WeakPolarHBondContact OE2-CD 3.28Å; E298-K301 WeakPolarHBondContact OE2-CE 3.21Å; E298-K301 IonicContact OE2-NZ 3.58Å; E298-K301 PolarHBondContact OE2-NZ 2.75Å; R299-K301 PolarHBondContact O-N 3.37Å; R299-K301 VanDerWaalsContact O-N 3.1Å; K301-S303 PolarHBondContact O-N 2.96Å; K301-Y387 PolarHBondContact O-OH 3.2Å; K301-K391 HydrophobicContact CB-CG 4.37Å; K301-K391 HydrophobicContact CG-CG 4.16Å; K301-A394 HydrophobicContact CD-CB 3.97Å; K301-A394 HydrophobicContact CG-CB 3.56Å; K301-D395 WeakPolarHBondContact CE-OD1 3.24Å; K301-D395 IonicContact NZ-OD1 2.86Å; K301-D395 PolarHBondContact NZ-OD1 2.93Å |
| 302 | D | 80.5 | Confident | 79.4 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | trans | -78.8 | 113.6 | 177.5 | 177.2 | 13.4 | 0 | 0 | 0 | 110.4 | R299 L300 K304 I305 | R299-D302 IonicContact CZ-OD2 2.64Å; R299-D302 IonicContact NH1-OD2 2.82Å; R299-D302 PolarHBondContact NH1-OD2 3.14Å; R299-D302 WeakPolarHBondContact O-CB 3.34Å; R299-D302 PolarHBondContact O-N 2.63Å; R299-D302 VanDerWaalsContact O-N 3.1Å; L300-D302 PolarHBondContact O-N 2.86Å; D302-K304 PolarHBondContact O-N 2.82Å; D302-K304 VanDerWaalsContact OD1-CB 3.31Å; D302-K304 WeakPolarHBondContact OD1-CB 2.92Å; D302-K304 WeakPolarHBondContact OD1-CG 3.43Å; D302-K304 PolarHBondContact OD1-N 3.27Å; D302-I305 HydrophobicContact CB-CD1 4.03Å; D302-I305 HydrophobicContact CB-CG1 3.97Å; D302-I305 VanDerWaalsContact O-CB 3.24Å; D302-I305 WeakPolarHBondContact O-CB 3.45Å; D302-I305 PolarHBondContact O-N 3.35Å | ||
| 303 | S | 65.5 | Low | 79 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -56.9 | -22.7 | 177.9 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | K301 I305 F306 Y387 | K301-S303 PolarHBondContact O-N 2.96Å; S303-I305 PolarHBondContact O-N 2.84Å; S303-F306 PolarHBondContact O-N 3.49Å; S303-Y387 WeakPolarHBondContact CA-OH 3.32Å; S303-Y387 WeakPolarHBondContact CB-OH 3.42Å; S303-Y387 PolarHBondContact N-OH 3.39Å |
| 304 | K | 70.8 | Confident | 78.5 | Confident | 143 Ų | 143 | 43.8 Ų | 43.8 | 62% | 0.622 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -75.2 | -13.5 | 177.8 | -55.9 | 174.2 | -177.5 | 173.8 | 0 | 113.7 | D302 I310 | D302-K304 PolarHBondContact O-N 2.82Å; D302-K304 VanDerWaalsContact OD1-CB 3.31Å; D302-K304 WeakPolarHBondContact OD1-CB 2.92Å; D302-K304 WeakPolarHBondContact OD1-CG 3.43Å; D302-K304 PolarHBondContact OD1-N 3.27Å; K304-I310 HydrophobicContact CB-CD1 4.13Å; K304-I310 HydrophobicContact CG-CD1 4.1Å |
| 305 | I | 68.6 | Low | 78.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -68.3 | -39.6 | 173.7 | -71.8 | -178.8 | 0 | 0 | 0 | 110.3 | A212 R299 D302 S303 P307 | A212-I305 HydrophobicContact CB-CG2 4.19Å; A212-I305 WeakPolarHBondContact CB-O 3.39Å; R299-I305 HydrophobicContact CG-CD1 3.92Å; R299-I305 WeakPolarHBondContact O-CD1 3.45Å; D302-I305 HydrophobicContact CB-CD1 4.03Å; D302-I305 HydrophobicContact CB-CG1 3.97Å; D302-I305 VanDerWaalsContact O-CB 3.24Å; D302-I305 WeakPolarHBondContact O-CB 3.45Å; D302-I305 PolarHBondContact O-N 3.35Å; S303-I305 PolarHBondContact O-N 2.84Å; I305-P307 VanDerWaalsContact O-CD 3.27Å; I305-P307 WeakPolarHBondContact O-CD 3.5Å |
| 306 | F | 66.4 | Low | 77.9 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.044 | 18% | 0.183 | C | C | . | . | trans | -99.8 | 106.5 | -173.2 | -63.5 | -76.1 | 0 | 0 | 0 | 110.3 | M106 L300 S303 Q308 V309 Y387 L390 | M106-F306 HydrophobicContact CE-CE1 4.21Å; M106-F306 HydrophobicContact SD-CE1 3.86Å; M106-F306 HydrophobicContact SD-CZ 4.34Å; L300-F306 HydrophobicContact CD2-CZ 4.41Å; L300-F306 WeakPolarHBondContact O-CE2 3.31Å; S303-F306 PolarHBondContact O-N 3.49Å; F306-Q308 PolarHBondContact O-N 3.45Å; F306-V309 HydrophobicContact CB-CG2 4.08Å; F306-V309 PolarHBondContact O-N 2.97Å; F306-Y387 HydrophobicContact CD2-CD2 4.28Å; F306-Y387 HydrophobicContact CD2-CE2 4.43Å; F306-L390 HydrophobicContact CD2-CD2 4.28Å; F306-L390 HydrophobicContact CE1-CD2 4.38Å; F306-L390 HydrophobicContact CE2-CD2 3.28Å; F306-L390 HydrophobicContact CZ-CD2 3.34Å | ||
| 307 | P | 59.1 | Low | 77.9 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 16% | 0.156 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.8 | -34.8 | -179.3 | -30.9 | 40.9 | 0 | 0 | 0 | 113 | M208 I305 V309 I310 R311 | M208-P307 HydrophobicContact CB-CB 4.49Å; M208-P307 HydrophobicContact CB-CG 3.51Å; M208-P307 HydrophobicContact CE-CB 4.22Å; M208-P307 HydrophobicContact CE-CG 4.34Å; M208-P307 HydrophobicContact CG-CB 4.34Å; M208-P307 HydrophobicContact CG-CG 3.74Å; M208-P307 HydrophobicContact SD-CB 3.48Å; M208-P307 WeakPolarHBondContact SD-CB 3.3Å; M208-P307 HydrophobicContact SD-CG 3.56Å; M208-P307 VanDerWaalsContact SD-CG 3.56Å; I305-P307 VanDerWaalsContact O-CD 3.27Å; I305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-V309 PolarHBondContact O-N 3.32Å; P307-I310 PolarHBondContact O-N 2.91Å; P307-R311 CarbonylContact C-O 3.53Å; P307-R311 CarbonylContact O-C 3.46Å; P307-R311 PolarHBondContact O-N 3.44Å |
| 308 | Q | 58.4 | Low | 77.7 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.7 | -27.9 | 177.6 | -61 | 170.7 | 24.7 | 0 | 0 | 113.2 | T113 F306 V383 | T113-Q308 PolarHBondContact OG1-NE2 3.25Å; F306-Q308 PolarHBondContact O-N 3.45Å; Q308-V383 HydrophobicContact CB-CG1 3.93Å |
| 309 | V | 57.6 | Low | 77.6 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86.2 | -26.8 | -178.7 | -175.7 | 0 | 0 | 0 | 0 | 113 | F306 P307 Y384 Y387 | F306-V309 HydrophobicContact CB-CG2 4.08Å; F306-V309 PolarHBondContact O-N 2.97Å; P307-V309 PolarHBondContact O-N 3.32Å; V309-Y384 HydrophobicContact CG1-CE1 4.18Å; V309-Y387 HydrophobicContact CG2-CD2 4.01Å; V309-Y387 HydrophobicContact CG2-CG 4.13Å |
| 310 | I | 62.7 | Low | 77.8 | Confident | 117 Ų | 117 | 33.7 Ų | 33.7 | 60% | 0.6 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -98.6 | -57.1 | -179.5 | -63.2 | 172.4 | 0 | 0 | 0 | 110.4 | K304 P307 | K304-I310 HydrophobicContact CB-CD1 4.13Å; K304-I310 HydrophobicContact CG-CD1 4.1Å; P307-I310 PolarHBondContact O-N 2.91Å |
| 311 | R | 74.7 | Confident | 78 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -153.2 | 113.1 | -179.9 | -170.7 | 171.7 | -164.2 | -157.2 | 0.1 | 109 | P307 I315 H316 D319 | P307-R311 CarbonylContact C-O 3.53Å; P307-R311 CarbonylContact O-C 3.46Å; P307-R311 PolarHBondContact O-N 3.44Å; R311-I315 HydrophobicContact CG-CB 4.32Å; R311-I315 HydrophobicContact CG-CG2 4.36Å; R311-I315 VanDerWaalsContact NH2-CG2 3.26Å; R311-H316 PolarHBondContact O-CD2 2.81Å; R311-D319 IonicContact CZ-OD2 2.62Å; R311-D319 IonicContact NH1-OD2 3.07Å; R311-D319 PolarHBondContact NH1-OD2 3.29Å; R311-D319 IonicContact NH2-OD1 2.72Å; R311-D319 PolarHBondContact NH2-OD1 3.22Å; R311-D319 VanDerWaalsContact NH2-OD1 3.08Å; R311-D319 IonicContact NH2-OD2 2.8Å; R311-D319 PolarHBondContact NH2-OD2 3.36Å |
| 312 | P | 79.9 | Confident | 78.2 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | trans | -57.4 | 148.7 | -177.8 | -26.4 | 32.6 | 0 | 0 | 0 | 114.4 | Q314 I315 H316 Y378 | P312-Q314 VanDerWaalsContact C-N 3.33Å; P312-Q314 HydrophobicContact CB-CG 4.44Å; P312-Q314 VanDerWaalsContact CB-OE1 3.23Å; P312-Q314 PolarHBondContact O-N 3.19Å; P312-I315 HydrophobicContact CB-CD1 4.46Å; P312-I315 HydrophobicContact CB-CG1 4.34Å; P312-I315 HydrophobicContact CG-CD1 4.22Å; P312-I315 WeakPolarHBondContact O-CB 3.29Å; P312-I315 PolarHBondContact O-N 3.11Å; P312-I315 VanDerWaalsContact O-N 3.08Å; P312-H316 PolarHBondContact O-N 3.03Å; P312-Y378 HydrophobicContact CG-CD1 4.39Å; P312-Y378 HydrophobicContact CG-CG 4.37Å | ||
| 313 | L | 87.4 | Confident | 78.8 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -41.9 | -176.3 | 176.9 | 63.3 | 0 | 0 | 0 | 112.7 | T113 F139 F140 I205 I315 H316 I317 | T113-L313 HydrophobicContact CG2-CB 4.18Å; T113-L313 HydrophobicContact CG2-CD2 4.39Å; F139-L313 HydrophobicContact CE1-CD2 4.4Å; F140-L313 HydrophobicContact CE2-CD2 4.45Å; F140-L313 HydrophobicContact CZ-CD2 3.9Å; I205-L313 HydrophobicContact CD1-CD1 3.73Å; I205-L313 HydrophobicContact CG1-CD1 3.85Å; I205-L313 HydrophobicContact CG2-CD1 3.93Å; L313-I315 PolarHBondContact O-N 3.26Å; L313-H316 PolarHBondContact O-N 2.86Å; L313-I317 HydrophobicContact CD1-CD1 3.85Å; L313-I317 HydrophobicContact CD1-CG1 4.29Å; L313-I317 HydrophobicContact CD2-CD1 4.46Å; L313-I317 HydrophobicContact CG-CD1 3.87Å; L313-I317 PolarHBondContact O-N 3.48Å |
| 314 | Q | 86.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -33.2 | 178.7 | 66 | -83.1 | 17.5 | 0 | 0 | 112.6 | S116 F117 L120 F121 P312 S318 | S116-Q314 PolarHBondContact OG-NE2 2.71Å; F117-Q314 HydrophobicContact CB-CB 3.98Å; F117-Q314 HydrophobicContact CD2-CB 3.46Å; F117-Q314 VanDerWaalsContact CD2-CB 3.46Å; F117-Q314 HydrophobicContact CE2-CB 4.16Å; F117-Q314 HydrophobicContact CG-CB 3.92Å; L120-Q314 HydrophobicContact CB-CB 4.49Å; L120-Q314 HydrophobicContact CB-CG 4.13Å; L120-Q314 HydrophobicContact CD1-CB 4.19Å; L120-Q314 HydrophobicContact CD1-CG 3.5Å; L120-Q314 HydrophobicContact CG-CG 4.39Å; F121-Q314 HydrophobicContact CD2-CB 4.43Å; F121-Q314 HydrophobicContact CE2-CB 4.04Å; F121-Q314 WeakPolarHBondContact CE2-O 3.42Å; P312-Q314 VanDerWaalsContact C-N 3.33Å; P312-Q314 HydrophobicContact CB-CG 4.44Å; P312-Q314 VanDerWaalsContact CB-OE1 3.23Å; P312-Q314 PolarHBondContact O-N 3.19Å; Q314-S318 WeakPolarHBondContact O-CB 3.46Å; Q314-S318 PolarHBondContact O-N 2.62Å |
| 315 | I | 86.9 | Confident | 81 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.1 | -44.6 | 177.9 | -55.9 | -174.6 | 0 | 0 | 0 | 109.9 | L120 R311 P312 L313 I317 S318 D319 V374 Y378 | L120-I315 HydrophobicContact CD1-CG1 4.14Å; R311-I315 HydrophobicContact CG-CB 4.32Å; R311-I315 HydrophobicContact CG-CG2 4.36Å; R311-I315 VanDerWaalsContact NH2-CG2 3.26Å; P312-I315 HydrophobicContact CB-CD1 4.46Å; P312-I315 HydrophobicContact CB-CG1 4.34Å; P312-I315 HydrophobicContact CG-CD1 4.22Å; P312-I315 WeakPolarHBondContact O-CB 3.29Å; P312-I315 PolarHBondContact O-N 3.11Å; P312-I315 VanDerWaalsContact O-N 3.08Å; L313-I315 PolarHBondContact O-N 3.26Å; I315-I317 VanDerWaalsContact C-N 3.29Å; I315-I317 PolarHBondContact O-N 3.06Å; I315-S318 PolarHBondContact O-N 2.95Å; I315-D319 PolarHBondContact O-N 2.8Å; I315-V374 HydrophobicContact CD1-CG1 3.82Å; I315-V374 HydrophobicContact CG1-CG1 4.15Å; I315-Y378 HydrophobicContact CD1-CD2 4Å; I315-Y378 HydrophobicContact CD1-CG 4.37Å |
| 316 | H | 88.5 | Confident | 81.9 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 176 | -79 | -75.7 | 0 | 0 | 0 | 113 | I205 R311 P312 L313 A320 | I205-H316 HydrophobicContact CD1-CB 3.77Å; I205-H316 HydrophobicContact CG1-CB 4.17Å; R311-H316 PolarHBondContact O-CD2 2.81Å; P312-H316 PolarHBondContact O-N 3.03Å; L313-H316 PolarHBondContact O-N 2.86Å; H316-A320 WeakPolarHBondContact O-CB 3.19Å; H316-A320 PolarHBondContact O-N 3.22Å; H316-A320 VanDerWaalsContact O-N 3.13Å |
| 317 | I | 92.2 | Very high | 83 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.9 | -36.9 | 178.8 | -64.2 | 171.8 | 0 | 0 | 0 | 110.8 | F117 F121 F161 L165 I205 L313 I315 A320 I321 | F117-I317 HydrophobicContact CD2-CD1 4.46Å; F117-I317 HydrophobicContact CE2-CB 3.98Å; F117-I317 HydrophobicContact CE2-CD1 3.58Å; F117-I317 HydrophobicContact CE2-CG1 4.32Å; F117-I317 HydrophobicContact CE2-CG2 4.09Å; F117-I317 HydrophobicContact CZ-CB 4.45Å; F117-I317 HydrophobicContact CZ-CD1 4.34Å; F117-I317 HydrophobicContact CZ-CG2 4.07Å; F121-I317 HydrophobicContact CE1-CG2 4.12Å; F121-I317 HydrophobicContact CZ-CB 4.03Å; F121-I317 HydrophobicContact CZ-CG2 3.7Å; F161-I317 HydrophobicContact CE1-CD1 3.57Å; F161-I317 HydrophobicContact CE1-CG1 4.16Å; F161-I317 HydrophobicContact CZ-CD1 3.67Å; F161-I317 HydrophobicContact CZ-CG1 4.49Å; F161-I317 HydrophobicContact CZ-CG2 4.37Å; L165-I317 HydrophobicContact CD2-CG2 3.87Å; I205-I317 HydrophobicContact CD1-CG1 3.86Å; L313-I317 HydrophobicContact CD1-CD1 3.85Å; L313-I317 HydrophobicContact CD1-CG1 4.29Å; L313-I317 HydrophobicContact CD2-CD1 4.46Å; L313-I317 HydrophobicContact CG-CD1 3.87Å; L313-I317 PolarHBondContact O-N 3.48Å; I315-I317 VanDerWaalsContact C-N 3.29Å; I315-I317 PolarHBondContact O-N 3.06Å; I317-A320 WeakPolarHBondContact O-CB 3.5Å; I317-A320 PolarHBondContact O-N 3.44Å; I317-I321 HydrophobicContact CG2-CD1 4.15Å; I317-I321 WeakPolarHBondContact O-CG1 3.49Å; I317-I321 PolarHBondContact O-N 3.19Å |
| 318 | S | 91.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 173.3 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | Q314 I315 A320 I321 M322 | Q314-S318 WeakPolarHBondContact O-CB 3.46Å; Q314-S318 PolarHBondContact O-N 2.62Å; I315-S318 PolarHBondContact O-N 2.95Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 PolarHBondContact O-N 2.89Å; S318-I321 PolarHBondContact O-N 2.86Å; S318-M322 PolarHBondContact O-N 3.37Å |
| 319 | D | 89.2 | Confident | 85.5 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 21% | 0.214 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.7 | -43.8 | 174 | -79.9 | 16.9 | 0 | 0 | 0 | 111.7 | R311 I315 M322 N323 H371 | R311-D319 IonicContact CZ-OD2 2.62Å; R311-D319 IonicContact NH1-OD2 3.07Å; R311-D319 PolarHBondContact NH1-OD2 3.29Å; R311-D319 IonicContact NH2-OD1 2.72Å; R311-D319 PolarHBondContact NH2-OD1 3.22Å; R311-D319 VanDerWaalsContact NH2-OD1 3.08Å; R311-D319 IonicContact NH2-OD2 2.8Å; R311-D319 PolarHBondContact NH2-OD2 3.36Å; I315-D319 PolarHBondContact O-N 2.8Å; D319-M322 WeakPolarHBondContact O-CB 3.25Å; D319-M322 PolarHBondContact O-N 2.72Å; D319-N323 PolarHBondContact O-N 3.07Å; D319-H371 IonicContact OD1-CD2 3.61Å; D319-H371 IonicContact OD1-CE1 3.44Å; D319-H371 PolarHBondContact OD1-CE1 2.98Å; D319-H371 IonicContact OD1-NE2 3.69Å; D319-H371 PolarHBondContact OD1-NE2 3.28Å; D319-H371 VanDerWaalsContact OD1-NE2 3.15Å |
| 320 | A | 94 | Very high | 86.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | F162 F198 A201 H316 I317 S318 M322 N323 L324 | F162-A320 HydrophobicContact CE1-CB 4.28Å; F198-A320 HydrophobicContact CB-CB 3.96Å; F198-A320 HydrophobicContact CD1-CB 3.78Å; F198-A320 WeakPolarHBondContact CD1-O 3.42Å; F198-A320 HydrophobicContact CG-CB 4.15Å; A201-A320 HydrophobicContact CB-CB 3.62Å; H316-A320 WeakPolarHBondContact O-CB 3.19Å; H316-A320 PolarHBondContact O-N 3.22Å; H316-A320 VanDerWaalsContact O-N 3.13Å; I317-A320 WeakPolarHBondContact O-CB 3.5Å; I317-A320 PolarHBondContact O-N 3.44Å; S318-A320 VanDerWaalsContact C-N 3.3Å; S318-A320 PolarHBondContact O-N 2.89Å; A320-M322 VanDerWaalsContact C-N 3.31Å; A320-M322 PolarHBondContact O-N 3.49Å; A320-N323 WeakPolarHBondContact O-CB 3.47Å; A320-N323 PolarHBondContact O-N 3.37Å; A320-N323 VanDerWaalsContact O-N 3.17Å; A320-L324 PolarHBondContact O-N 3.45Å |
| 321 | I | 93 | Very high | 87.7 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.9 | -67 | 170.2 | 0 | 0 | 0 | 110.6 | F121 Y125 L165 M173 I317 S318 N323 L324 Q325 | F121-I321 HydrophobicContact CE1-CD1 3.63Å; F121-I321 HydrophobicContact CZ-CD1 4.18Å; Y125-I321 HydrophobicContact CE1-CG2 3.89Å; Y125-I321 HydrophobicContact CE2-CD1 4.35Å; Y125-I321 WeakPolarHBondContact OH-CG2 3.1Å; L165-I321 HydrophobicContact CD1-CD1 4.33Å; L165-I321 HydrophobicContact CD2-CG1 4.45Å; M173-I321 HydrophobicContact CE-CG2 3.66Å; I317-I321 HydrophobicContact CG2-CD1 4.15Å; I317-I321 WeakPolarHBondContact O-CG1 3.49Å; I317-I321 PolarHBondContact O-N 3.19Å; S318-I321 PolarHBondContact O-N 2.86Å; I321-N323 VanDerWaalsContact C-N 3.33Å; I321-N323 PolarHBondContact O-N 3.5Å; I321-L324 PolarHBondContact O-N 3.33Å; I321-Q325 WeakPolarHBondContact O-CG 3.16Å; I321-Q325 PolarHBondContact O-N 2.92Å |
| 322 | M | 89.5 | Confident | 87.5 | Confident | 62 Ų | 62 | 32.2 Ų | 32.2 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 175.5 | -176.1 | 178.8 | 64.7 | 0 | 0 | 112.2 | S318 D319 A320 Q325 T326 | S318-M322 PolarHBondContact O-N 3.37Å; D319-M322 WeakPolarHBondContact O-CB 3.25Å; D319-M322 PolarHBondContact O-N 2.72Å; A320-M322 VanDerWaalsContact C-N 3.31Å; A320-M322 PolarHBondContact O-N 3.49Å; M322-Q325 WeakPolarHBondContact O-CB 3.38Å; M322-Q325 PolarHBondContact O-N 3.04Å; M322-T326 PolarHBondContact O-N 3.1Å; M322-T326 PolarHBondContact O-OG1 2.85Å |
| 323 | N | 92.6 | Very high | 86.9 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 174.5 | -173 | 66.7 | 0 | 0 | 0 | 111.9 | P197 D199 D319 A320 I321 Q325 T326 I327 | P197-N323 PolarHBondContact O-ND2 2.62Å; D199-N323 PolarHBondContact N-ND2 2.78Å; D319-N323 PolarHBondContact O-N 3.07Å; A320-N323 WeakPolarHBondContact O-CB 3.47Å; A320-N323 PolarHBondContact O-N 3.37Å; A320-N323 VanDerWaalsContact O-N 3.17Å; I321-N323 VanDerWaalsContact C-N 3.33Å; I321-N323 PolarHBondContact O-N 3.5Å; N323-Q325 VanDerWaalsContact C-N 3.33Å; N323-Q325 PolarHBondContact O-N 2.81Å; N323-T326 WeakPolarHBondContact O-CB 2.79Å; N323-T326 PolarHBondContact O-N 2.89Å; N323-T326 VanDerWaalsContact O-N 3.15Å; N323-I327 WeakPolarHBondContact ND2-CD1 3.46Å; N323-I327 WeakPolarHBondContact O-CG1 3.44Å; N323-I327 PolarHBondContact O-N 2.82Å |
| 324 | L | 93.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 174.2 | 169.4 | 64.4 | 0 | 0 | 0 | 111.1 | L166 A169 L170 M173 L192 P197 F198 A320 I321 T326 I327 L328 | L166-L324 HydrophobicContact CD1-CD1 3.79Å; L166-L324 HydrophobicContact CD1-CD2 4.05Å; A169-L324 HydrophobicContact CB-CD2 3.59Å; L170-L324 HydrophobicContact CD2-CD1 4.47Å; M173-L324 HydrophobicContact CE-CD2 3.91Å; M173-L324 HydrophobicContact CE-CG 4.18Å; M173-L324 HydrophobicContact SD-CD2 4.2Å; M173-L324 HydrophobicContact SD-CG 4.13Å; L192-L324 HydrophobicContact CD1-CD1 3.83Å; P197-L324 HydrophobicContact CB-CD1 3.71Å; P197-L324 WeakPolarHBondContact O-CA 3.33Å; P197-L324 PolarHBondContact O-N 3.41Å; F198-L324 HydrophobicContact CD1-CB 4.02Å; F198-L324 HydrophobicContact CE1-CB 3.81Å; F198-L324 HydrophobicContact CE1-CD2 3.61Å; F198-L324 HydrophobicContact CE1-CG 4.28Å; F198-L324 HydrophobicContact CZ-CD2 3.98Å; A320-L324 PolarHBondContact O-N 3.45Å; I321-L324 PolarHBondContact O-N 3.33Å; L324-T326 VanDerWaalsContact C-N 3.3Å; L324-T326 PolarHBondContact O-N 3.32Å; L324-I327 PolarHBondContact O-N 3.29Å; L324-L328 HydrophobicContact CD1-CD1 3.73Å; L324-L328 HydrophobicContact CD1-CG 4.14Å; L324-L328 HydrophobicContact CG-CD1 3.84Å; L324-L328 WeakPolarHBondContact O-CB 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3.27Å |
| 325 | Q | 89.3 | Confident | 84.4 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 175.1 | -74.1 | 175 | -19.2 | 0 | 0 | 111.8 | M173 I321 M322 N323 L328 F329 F366 | M173-Q325 HydrophobicContact CE-CG 3.35Å; M173-Q325 HydrophobicContact CG-CG 4.43Å; M173-Q325 HydrophobicContact SD-CB 4.47Å; M173-Q325 HydrophobicContact SD-CG 3.59Å; M173-Q325 VanDerWaalsContact SD-CG 3.59Å; I321-Q325 WeakPolarHBondContact O-CG 3.16Å; I321-Q325 PolarHBondContact O-N 2.92Å; M322-Q325 WeakPolarHBondContact O-CB 3.38Å; M322-Q325 PolarHBondContact O-N 3.04Å; N323-Q325 VanDerWaalsContact C-N 3.33Å; N323-Q325 PolarHBondContact O-N 2.81Å; Q325-L328 PolarHBondContact O-N 3.38Å; Q325-F329 WeakPolarHBondContact O-CB 3.5Å; Q325-F329 PolarHBondContact O-N 3.41Å; Q325-F366 HydrophobicContact CB-CE1 4.22Å |
| 326 | T | 88.4 | Confident | 83.6 | Confident | 52 Ų | 52 | 49 Ų | 49 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 179.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | M322 N323 L324 F329 R330 | M322-T326 PolarHBondContact O-N 3.1Å; M322-T326 PolarHBondContact O-OG1 2.85Å; N323-T326 WeakPolarHBondContact O-CB 2.79Å; N323-T326 PolarHBondContact O-N 2.89Å; N323-T326 VanDerWaalsContact O-N 3.15Å; L324-T326 VanDerWaalsContact C-N 3.3Å; L324-T326 PolarHBondContact O-N 3.32Å; T326-F329 PolarHBondContact O-N 3.04Å; T326-R330 WeakPolarHBondContact O-CG 3.21Å; T326-R330 PolarHBondContact O-N 2.94Å; T326-R330 VanDerWaalsContact O-N 3.13Å |
| 327 | I | 88.3 | Confident | 83.1 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.138 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -46.8 | 177.5 | -70.1 | 169.7 | 0 | 0 | 0 | 110.6 | L192 N323 L324 F329 R330 L331 | L192-I327 HydrophobicContact CD2-CG2 3.89Å; N323-I327 WeakPolarHBondContact ND2-CD1 3.46Å; N323-I327 WeakPolarHBondContact O-CG1 3.44Å; N323-I327 PolarHBondContact O-N 2.82Å; L324-I327 PolarHBondContact O-N 3.29Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-F329 PolarHBondContact O-N 3.42Å; I327-R330 PolarHBondContact O-N 3.07Å; I327-L331 HydrophobicContact CG2-CD1 3.76Å; I327-L331 HydrophobicContact CG2-CG 4.39Å; I327-L331 WeakPolarHBondContact O-CG 3.22Å; I327-L331 PolarHBondContact O-N 3.18Å |
| 328 | L | 87 | Confident | 82.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 176.4 | -82.5 | 160.3 | 0 | 0 | 0 | 112.3 | L170 M173 V188 L192 L324 Q325 R330 L331 D332 F338 | L170-L328 HydrophobicContact CD2-CD1 3.53Å; L170-L328 HydrophobicContact CD2-CD2 3.6Å; L170-L328 HydrophobicContact CD2-CG 4.05Å; M173-L328 HydrophobicContact CB-CD1 4.34Å; M173-L328 HydrophobicContact SD-CD1 3.38Å; M173-L328 WeakPolarHBondContact SD-CD1 3.35Å; V188-L328 HydrophobicContact CG1-CD2 4.26Å; L192-L328 HydrophobicContact CD1-CD2 3.99Å; L192-L328 HydrophobicContact CD1-CG 4.2Å; L324-L328 HydrophobicContact CD1-CD1 3.73Å; L324-L328 HydrophobicContact CD1-CG 4.14Å; L324-L328 HydrophobicContact CG-CD1 3.84Å; L324-L328 WeakPolarHBondContact O-CB 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3.27Å; Q325-L328 PolarHBondContact O-N 3.38Å; L328-R330 VanDerWaalsContact C-N 3.31Å; L328-R330 PolarHBondContact O-N 2.9Å; L328-L331 PolarHBondContact O-N 3.25Å; L328-D332 WeakPolarHBondContact O-CB 3.34Å; L328-D332 PolarHBondContact O-N 2.99Å; L328-F338 HydrophobicContact CD2-CZ 4.25Å |
| 329 | F | 84 | Confident | 81.5 | Confident | 108 Ų | 108 | 53.6 Ų | 53.6 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 177.3 | 178.9 | -100.7 | 0 | 0 | 0 | 112.2 | Q325 T326 I327 F366 | Q325-F329 WeakPolarHBondContact O-CB 3.5Å; Q325-F329 PolarHBondContact O-N 3.41Å; T326-F329 PolarHBondContact O-N 3.04Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-F329 PolarHBondContact O-N 3.42Å; F329-F366 HydrophobicContact CB-CZ 4.31Å; F329-F366 HydrophobicContact CD2-CE2 4.32Å; F329-F366 AromaticContact CD2-CZ 3.93Å; F329-F366 HydrophobicContact CD2-CZ 3.93Å; F329-F366 HydrophobicContact CG-CZ 4.35Å |
| 330 | R | 83.2 | Confident | 81 | Confident | 164 Ų | 164 | 57.1 Ų | 57.1 | 62% | 0.619 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 176 | -70 | 174.5 | -173.8 | 168.6 | 4.5 | 112.1 | T326 I327 L328 Q333 | T326-R330 WeakPolarHBondContact O-CG 3.21Å; T326-R330 PolarHBondContact O-N 2.94Å; T326-R330 VanDerWaalsContact O-N 3.13Å; I327-R330 PolarHBondContact O-N 3.07Å; L328-R330 VanDerWaalsContact C-N 3.31Å; L328-R330 PolarHBondContact O-N 2.9Å; R330-Q333 WeakPolarHBondContact O-CB 3.46Å; R330-Q333 PolarHBondContact O-N 3.48Å |
| 331 | L | 82.8 | Confident | 80.5 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.5 | -27.3 | -178.8 | -66.8 | 171.7 | 0 | 0 | 0 | 113.2 | L192 M195 I327 L328 Q333 S334 F337 | L192-L331 HydrophobicContact CD2-CD1 3.41Å; L192-L331 VanDerWaalsContact CD2-CD1 3.41Å; M195-L331 HydrophobicContact SD-CD1 4.11Å; I327-L331 HydrophobicContact CG2-CD1 3.76Å; I327-L331 HydrophobicContact CG2-CG 4.39Å; I327-L331 WeakPolarHBondContact O-CG 3.22Å; I327-L331 PolarHBondContact O-N 3.18Å; L328-L331 PolarHBondContact O-N 3.25Å; L331-Q333 PolarHBondContact O-N 3.01Å; L331-S334 PolarHBondContact O-N 2.92Å; L331-S334 PolarHBondContact O-OG 3Å; L331-F337 HydrophobicContact CB-CD1 4.22Å; L331-F337 HydrophobicContact CB-CG 4.28Å; L331-F337 HydrophobicContact CD1-CD1 4.37Å; L331-F337 HydrophobicContact CD1-CD2 4.31Å; L331-F337 HydrophobicContact CD1-CE1 4.13Å; L331-F337 HydrophobicContact CD1-CE2 4.07Å; L331-F337 HydrophobicContact CD1-CG 4.45Å; L331-F337 HydrophobicContact CD1-CZ 3.98Å; L331-F337 HydrophobicContact CD2-CD2 4.31Å |
| 332 | D | 71.1 | Confident | 79.6 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.9 | 172.7 | -164.8 | 53.4 | 0 | 0 | 0 | 113 | L328 F338 R362 | L328-D332 WeakPolarHBondContact O-CB 3.34Å; L328-D332 PolarHBondContact O-N 2.99Å; D332-F338 HydrophobicContact CB-CE2 4.08Å; D332-R362 IonicContact OD1-NH2 3.66Å; D332-R362 PolarHBondContact OD1-NH2 3.43Å; D332-R362 IonicContact OD2-CZ 2.93Å; D332-R362 IonicContact OD2-NH2 3.33Å; D332-R362 PolarHBondContact OD2-NH2 3.38Å |
| 333 | Q | 67.1 | Low | 78.2 | Confident | 127 Ų | 127 | 62 Ų | 62 | 59% | 0.593 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -20.2 | 172.2 | -60.3 | 176.6 | 8.4 | 0 | 0 | 112.4 | R330 L331 | R330-Q333 WeakPolarHBondContact O-CB 3.46Å; R330-Q333 PolarHBondContact O-N 3.48Å; L331-Q333 PolarHBondContact O-N 3.01Å |
| 334 | S | 62.6 | Low | 76.2 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -97.4 | 102 | 173.7 | 52.1 | 0 | 0 | 0 | 0 | 110 | L331 E336 F337 | L331-S334 PolarHBondContact O-N 2.92Å; L331-S334 PolarHBondContact O-OG 3Å; S334-E336 PolarHBondContact O-N 2.73Å; S334-F337 PolarHBondContact O-N 3.02Å |
| 335 | D | 59 | Low | 73.9 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.6 | -25.3 | -174.8 | -78.7 | -41.9 | 0 | 0 | 0 | 114.2 | N339 R355 | D335-N339 PolarHBondContact O-ND2 3.4Å; D335-N339 PolarHBondContact O-OD1 3.32Å; D335-R355 PolarHBondContact O-NH2 2.79Å; D335-R355 VanDerWaalsContact O-NH2 3.12Å; D335-R355 IonicContact OD1-CZ 3.05Å; D335-R355 IonicContact OD1-NE 3.79Å; D335-R355 IonicContact OD1-NH1 2.74Å; D335-R355 PolarHBondContact OD1-NH1 3.31Å; D335-R355 IonicContact OD1-NH2 3.34Å; D335-R355 PolarHBondContact OD1-NH2 2.96Å |
| 336 | E | 70.2 | Confident | 71.7 | Confident | 150 Ų | 150 | 76.5 Ų | 76.5 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.1 | -37.2 | -176.3 | -164.8 | 172.8 | -169.8 | 0 | 0 | 113.3 | S334 F338 N339 | S334-E336 PolarHBondContact O-N 2.73Å; E336-F338 PolarHBondContact O-N 3.18Å; E336-N339 PolarHBondContact O-N 3.27Å |
| 337 | F | 77.3 | Confident | 69.4 | Low | 21 Ų | 21 | 83.1 Ų | 83.1 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | -169 | -177.2 | -96.1 | 0 | 0 | 0 | 113.5 | V188 K191 L192 M195 L331 S334 | V188-F337 HydrophobicContact CG1-CE1 4.15Å; K191-F337 HydrophobicContact CB-CE2 3.67Å; K191-F337 HydrophobicContact CB-CZ 3.49Å; K191-F337 VanDerWaalsContact CB-CZ 3.49Å; K191-F337 HydrophobicContact CD-CD2 4.33Å; K191-F337 HydrophobicContact CD-CE2 3.9Å; K191-F337 HydrophobicContact CD-CZ 4.04Å; K191-F337 HydrophobicContact CG-CE2 4.46Å; K191-F337 HydrophobicContact CG-CZ 4.46Å; K191-F337 PolarHBondContact NZ-O 2.84Å; L192-F337 HydrophobicContact CD2-CE1 4.44Å; L192-F337 HydrophobicContact CD2-CZ 3.89Å; L192-F337 HydrophobicContact CG-CZ 4.05Å; M195-F337 HydrophobicContact CE-CE2 3.87Å; L331-F337 HydrophobicContact CB-CD1 4.22Å; L331-F337 HydrophobicContact CB-CG 4.28Å; L331-F337 HydrophobicContact CD1-CD1 4.37Å; L331-F337 HydrophobicContact CD1-CD2 4.31Å; L331-F337 HydrophobicContact CD1-CE1 4.13Å; L331-F337 HydrophobicContact CD1-CE2 4.07Å; L331-F337 HydrophobicContact CD1-CG 4.45Å; L331-F337 HydrophobicContact CD1-CZ 3.98Å; L331-F337 HydrophobicContact CD2-CD2 4.31Å; S334-F337 PolarHBondContact O-N 3.02Å |
| 338 | F | 76.3 | Confident | 67.1 | Low | 19 Ų | 19 | 90.5 Ų | 90.5 | 8% | 0.083 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -78.2 | -28.4 | 179.6 | -73.9 | -83.8 | 0 | 0 | 0 | 112.5 | L174 V188 L328 D332 E336 D340 C341 L342 | L174-F338 HydrophobicContact CD2-CE1 3.94Å; L174-F338 HydrophobicContact CD2-CZ 4.3Å; V188-F338 HydrophobicContact CG1-CE1 4.27Å; V188-F338 HydrophobicContact CG2-CD1 3.75Å; V188-F338 HydrophobicContact CG2-CE1 3.68Å; L328-F338 HydrophobicContact CD2-CZ 4.25Å; D332-F338 HydrophobicContact CB-CE2 4.08Å; E336-F338 PolarHBondContact O-N 3.18Å; F338-D340 VanDerWaalsContact C-N 3.34Å; F338-D340 PolarHBondContact O-N 3.06Å; F338-C341 PolarHBondContact O-N 3.2Å; F338-L342 PolarHBondContact O-N 3.34Å |
| 339 | N | 73.2 | Confident | 64.6 | Low | 77 Ų | 77 | 96.3 Ų | 96.3 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | -176.5 | -74.8 | -12.4 | 0 | 0 | 0 | 111.8 | D335 E336 C341 L342 R355 | D335-N339 PolarHBondContact O-ND2 3.4Å; D335-N339 PolarHBondContact O-OD1 3.32Å; E336-N339 PolarHBondContact O-N 3.27Å; N339-C341 PolarHBondContact O-N 3.42Å; N339-C341 VanDerWaalsContact O-N 3.13Å; N339-L342 PolarHBondContact O-N 3.47Å; N339-L342 VanDerWaalsContact O-N 3.08Å; N339-R355 PolarHBondContact OD1-NH2 3.26Å |
| 340 | D | 78.8 | Confident | 62.2 | Low | 114 Ų | 114 | 100.4 Ų | 100.4 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.9 | 179.4 | -21.9 | -45.4 | 0 | 0 | 0 | 114.1 | K191 F338 | K191-D340 VanDerWaalsContact NZ-CG 3.28Å; K191-D340 IonicContact NZ-OD2 3.3Å; K191-D340 PolarHBondContact NZ-OD2 3.11Å; F338-D340 VanDerWaalsContact C-N 3.34Å; F338-D340 PolarHBondContact O-N 3.06Å |
| 341 | C | 82.8 | Confident | 59.9 | Low | 6 Ų | 6 | 96.9 Ų | 96.9 | 4% | 0.041 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.8 | 172.3 | -73.6 | 0 | 0 | 0 | 0 | 113.2 | V184 C187 V188 F338 N339 L343 | V184-C341 HydrophobicContact CG1-CB 4.35Å; C187-C341 HydrophobicContact CB-CB 3.6Å; C187-C341 WeakPolarHBondContact CB-SG 3.18Å; C187-C341 WeakPolarHBondContact SG-CA 3.48Å; C187-C341 WeakPolarHBondContact SG-CB 3.47Å; C187-C341 CovalentContact SG-SG 2.04Å; C187-C341 PolarHBondContact SG-SG 3.37Å; V188-C341 HydrophobicContact CG2-CB 4.41Å; V188-C341 PolarHBondContact N-SG 3.07Å; F338-C341 PolarHBondContact O-N 3.2Å; N339-C341 PolarHBondContact O-N 3.42Å; N339-C341 VanDerWaalsContact O-N 3.13Å; C341-L343 PolarHBondContact O-N 3.07Å |
| 342 | L | 74.3 | Confident | 57.6 | Low | 63 Ų | 63 | 100.2 Ų | 100.2 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -81.5 | 111.8 | 174.5 | -62 | 174.7 | 0 | 0 | 0 | 108 | V184 F338 N339 E344 F352 | V184-L342 HydrophobicContact CG1-CD2 4.41Å; V184-L342 HydrophobicContact CG2-CD2 4.08Å; F338-L342 PolarHBondContact O-N 3.34Å; N339-L342 PolarHBondContact O-N 3.47Å; N339-L342 VanDerWaalsContact O-N 3.08Å; L342-E344 PolarHBondContact O-N 3.5Å; L342-E344 VanDerWaalsContact O-N 3.14Å; L342-F352 HydrophobicContact CD2-CD1 4.22Å; L342-F352 HydrophobicContact CD2-CE1 3.38Å; L342-F352 HydrophobicContact CD2-CE2 4.36Å; L342-F352 HydrophobicContact CD2-CZ 3.47Å; L342-F352 VanDerWaalsContact CD2-CZ 3.47Å |
| 343 | L | 60.1 | Low | 56.1 | Low | 109 Ų | 109 | 104.2 Ų | 104.2 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | trans | -52.7 | 117.3 | 177.1 | -81.1 | 152.5 | 0 | 0 | 0 | 110.9 | I183 C341 N345 | I183-L343 HydrophobicContact CG2-CD1 4.03Å; C341-L343 PolarHBondContact O-N 3.07Å; L343-N345 PolarHBondContact O-N 2.94Å | ||
| 344 | E | 51.8 | Low | 54.8 | Low | 179 Ų | 179 | 102.1 Ų | 102.1 | 84% | 0.836 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -1.2 | 179 | -77.9 | -173.7 | 142.5 | 0 | 0 | 114.9 | L342 | L342-E344 PolarHBondContact O-N 3.5Å; L342-E344 VanDerWaalsContact O-N 3.14Å |
| 345 | N | 44.2 | Very low | 54 | Low | 154 Ų | 154 | 105.1 Ų | 105.1 | 82% | 0.824 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 11.9 | -170.8 | -72.5 | -28.3 | 0 | 0 | 0 | 116.5 | L343 K347 | L343-N345 PolarHBondContact O-N 2.94Å; N345-K347 PolarHBondContact O-N 2.85Å |
| 346 | S | 42.2 | Very low | 53.2 | Low | 47 Ų | 47 | 105.5 Ų | 105.5 | 33% | 0.329 | 53% | 0.531 | S | S | . | . | trans | -97.8 | 49.9 | 171.6 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | E348 H349 | S346-E348 PolarHBondContact O-N 3.39Å; S346-H349 PolarHBondContact O-N 3.45Å; S346-H349 VanDerWaalsContact O-N 3.15Å | ||
| 347 | K | 40.2 | Very low | 51.9 | Low | 190 Ų | 190 | 100.2 Ų | 100.2 | 83% | 0.826 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -8.2 | 172.7 | -73.8 | -177.4 | 179.2 | 175 | 0 | 114 | N345 | N345-K347 PolarHBondContact O-N 2.85Š|
| 348 | E | 40.5 | Very low | 50.4 | Low | 183 Ų | 183 | 102.7 Ų | 102.7 | 86% | 0.855 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 2.3 | 177.2 | -81.6 | -176.1 | 153.3 | 0 | 0 | 115.7 | S346 | S346-E348 PolarHBondContact O-N 3.39Š|
| 349 | H | 35.8 | Very low | 49 | Very low | 124 Ų | 124 | 107.9 Ų | 107.9 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | trans | -110.8 | 75.8 | 170.9 | -72.2 | 61.1 | 0 | 0 | 0 | 110.1 | S346 S351 | S346-H349 PolarHBondContact O-N 3.45Å; S346-H349 VanDerWaalsContact O-N 3.15Å; H349-S351 PolarHBondContact O-N 3.21Å | ||
| 350 | Q | 33.6 | Very low | 47.7 | Very low | 194 Ų | 194 | 110.6 Ų | 110.6 | 91% | 0.907 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 36.1 | 170.2 | -71.8 | -178.1 | -12.6 | 0 | 0 | 113.4 | ||
| 351 | S | 33.5 | Very low | 46.1 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 17.3 | 172.5 | 68 | 0 | 0 | 0 | 0 | 113.4 | H349 L353 | H349-S351 PolarHBondContact O-N 3.21Å; S351-L353 PolarHBondContact O-N 3.06Å |
| 352 | F | 36.1 | Very low | 44.4 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | trans | -65.9 | 95.7 | 156.5 | -90.1 | -78.6 | 0 | 0 | 0 | 107.6 | V184 L342 | V184-F352 HydrophobicContact CG2-CZ 4.2Å; L342-F352 HydrophobicContact CD2-CD1 4.22Å; L342-F352 HydrophobicContact CD2-CE1 3.38Å; L342-F352 HydrophobicContact CD2-CE2 4.36Å; L342-F352 HydrophobicContact CD2-CZ 3.47Å; L342-F352 VanDerWaalsContact CD2-CZ 3.47Å | ||
| 353 | L | 38.8 | Very low | 42.9 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | trans | -43.1 | 132.2 | 167.4 | -89.2 | 151.2 | 0 | 0 | 0 | 108.5 | S351 R355 D357 | S351-L353 PolarHBondContact O-N 3.06Å; L353-R355 PolarHBondContact O-N 3.27Å; L353-D357 WeakPolarHBondContact CD2-OD2 3.41Å | ||
| 354 | P | 39.8 | Very low | 42 | Very low | 83 Ų | 83 | 119.4 Ų | 119.4 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | trans | -51.3 | 134 | -178.9 | -24 | 32.7 | 0 | 0 | 0 | 109.8 | T356 D357 | P354-T356 WeakPolarHBondContact CB-OG1 3.15Å; P354-T356 PolarHBondContact O-N 2.86Å; P354-D357 PolarHBondContact O-N 3.26Å | ||
| 355 | R | 45.7 | Very low | 41.8 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -41.8 | -19.6 | 175.7 | -138.3 | 177.3 | -171.7 | 169.6 | 14.4 | 113.9 | D335 N339 L353 R359 | D335-R355 PolarHBondContact O-NH2 2.79Å; D335-R355 VanDerWaalsContact O-NH2 3.12Å; D335-R355 IonicContact OD1-CZ 3.05Å; D335-R355 IonicContact OD1-NE 3.79Å; D335-R355 IonicContact OD1-NH1 2.74Å; D335-R355 PolarHBondContact OD1-NH1 3.31Å; D335-R355 IonicContact OD1-NH2 3.34Å; D335-R355 PolarHBondContact OD1-NH2 2.96Å; N339-R355 PolarHBondContact OD1-NH2 3.26Å; L353-R355 PolarHBondContact O-N 3.27Å; R355-R359 PolarHBondContact O-N 3.45Å |
| 356 | T | 42.4 | Very low | 41.9 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.8 | -35.5 | 175.7 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | P354 Y358 R359 Q360 | P354-T356 WeakPolarHBondContact CB-OG1 3.15Å; P354-T356 PolarHBondContact O-N 2.86Å; T356-Y358 VanDerWaalsContact C-N 3.29Å; T356-Y358 PolarHBondContact O-N 3.29Å; T356-R359 PolarHBondContact O-N 3.29Å; T356-Q360 PolarHBondContact O-N 3.34Å; T356-Q360 VanDerWaalsContact O-N 3.08Å |
| 357 | D | 43 | Very low | 42.3 | Very low | 40 Ų | 40 | 114.1 Ų | 114.1 | 21% | 0.214 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -71.7 | -31.2 | 179.8 | -152 | -5 | 0 | 0 | 0 | 110.6 | L353 P354 Q360 R361 | L353-D357 WeakPolarHBondContact CD2-OD2 3.41Å; P354-D357 PolarHBondContact O-N 3.26Å; D357-Q360 PolarHBondContact O-N 3.33Å; D357-R361 WeakPolarHBondContact O-CB 3.39Å; D357-R361 WeakPolarHBondContact O-CG 3.12Å; D357-R361 PolarHBondContact O-N 3.28Å; D357-R361 IonicContact OD1-CZ 3.58Å; D357-R361 IonicContact OD1-NE 3.54Å; D357-R361 PolarHBondContact OD1-NE 3.14Å; D357-R361 IonicContact OD1-NH2 2.77Å; D357-R361 PolarHBondContact OD1-NH2 3.45Å; D357-R361 IonicContact OD2-CZ 2.63Å; D357-R361 IonicContact OD2-NE 3.43Å; D357-R361 IonicContact OD2-NH2 3.62Å; D357-R361 PolarHBondContact OD2-NH2 2.87Å |
| 358 | Y | 45.2 | Very low | 42.7 | Very low | 73 Ų | 73 | 112.7 Ų | 112.7 | 29% | 0.286 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 175.5 | -136.8 | -81.2 | 0 | 0 | 0 | 113.1 | L174 T356 R362 | L174-Y358 WeakPolarHBondContact CA-OH 3.5Å; L174-Y358 WeakPolarHBondContact CB-OH 3.02Å; L174-Y358 HydrophobicContact CD2-CE1 4.01Å; L174-Y358 WeakPolarHBondContact CD2-OH 3.25Å; L174-Y358 WeakPolarHBondContact CG-OH 3.18Å; L174-Y358 WeakPolarHBondContact O-CE2 3.38Å; L174-Y358 VanDerWaalsContact O-CZ 3.25Å; L174-Y358 PolarHBondContact O-OH 3.2Å; T356-Y358 VanDerWaalsContact C-N 3.29Å; T356-Y358 PolarHBondContact O-N 3.29Å; Y358-R362 VanDerWaalsContact CE1-NH2 3.3Å; Y358-R362 WeakPolarHBondContact O-CB 3.38Å; Y358-R362 WeakPolarHBondContact O-CG 3.31Å; Y358-R362 PolarHBondContact O-N 3.47Å |
| 359 | R | 48 | Very low | 43.2 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72 | -37.8 | 174.9 | -77 | -173.6 | -179.8 | 172.4 | 3.5 | 112.1 | R355 T356 Q363 | R355-R359 PolarHBondContact O-N 3.45Å; T356-R359 PolarHBondContact O-N 3.29Å; R359-Q363 WeakPolarHBondContact O-CG 3.25Å; R359-Q363 PolarHBondContact O-N 3.06Å |
| 360 | Q | 44.9 | Very low | 44 | Very low | 134 Ų | 134 | 103.3 Ų | 103.3 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 179.2 | -80.7 | -179.3 | -22.1 | 0 | 0 | 113.2 | T356 D357 | T356-Q360 PolarHBondContact O-N 3.34Å; T356-Q360 VanDerWaalsContact O-N 3.08Å; D357-Q360 PolarHBondContact O-N 3.33Å |
| 361 | R | 44.5 | Very low | 44.9 | Very low | 103 Ų | 103 | 96 Ų | 96 | 39% | 0.389 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.3 | -34.2 | 176.7 | -69.8 | 177.6 | -158.4 | -136.7 | 9.1 | 113.3 | F175 D357 Q363 Q364 | F175-R361 HydrophobicContact CE2-CB 4.14Å; F175-R361 HydrophobicContact CZ-CB 4.25Å; D357-R361 WeakPolarHBondContact O-CB 3.39Å; D357-R361 WeakPolarHBondContact O-CG 3.12Å; D357-R361 PolarHBondContact O-N 3.28Å; D357-R361 IonicContact OD1-CZ 3.58Å; D357-R361 IonicContact OD1-NE 3.54Å; D357-R361 PolarHBondContact OD1-NE 3.14Å; D357-R361 IonicContact OD1-NH2 2.77Å; D357-R361 PolarHBondContact OD1-NH2 3.45Å; D357-R361 IonicContact OD2-CZ 2.63Å; D357-R361 IonicContact OD2-NE 3.43Å; D357-R361 IonicContact OD2-NH2 3.62Å; D357-R361 PolarHBondContact OD2-NH2 2.87Å; R361-Q363 VanDerWaalsContact C-N 3.34Å; R361-Q363 PolarHBondContact O-N 2.84Å; R361-Q364 PolarHBondContact O-N 3.43Å |
| 362 | R | 47 | Very low | 45.6 | Very low | 37 Ų | 37 | 98.1 Ų | 98.1 | 14% | 0.14 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71.7 | -23.7 | 178.1 | -79.2 | -161.3 | -80.7 | -154.9 | -1.8 | 114.2 | F175 D332 Y358 Q364 | F175-R362 HydrophobicContact CE2-CG 3.74Å; D332-R362 IonicContact OD1-NH2 3.66Å; D332-R362 PolarHBondContact OD1-NH2 3.43Å; D332-R362 IonicContact OD2-CZ 2.93Å; D332-R362 IonicContact OD2-NH2 3.33Å; D332-R362 PolarHBondContact OD2-NH2 3.38Å; Y358-R362 VanDerWaalsContact CE1-NH2 3.3Å; Y358-R362 WeakPolarHBondContact O-CB 3.38Å; Y358-R362 WeakPolarHBondContact O-CG 3.31Å; Y358-R362 PolarHBondContact O-N 3.47Å; R362-Q364 PolarHBondContact O-N 3.2Å |
| 363 | Q | 42.8 | Very low | 46.2 | Very low | 163 Ų | 163 | 97.6 Ų | 97.6 | 76% | 0.762 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10.4 | 177.3 | -79.9 | -177.2 | -11.1 | 0 | 0 | 113.9 | R359 R361 | R359-Q363 WeakPolarHBondContact O-CG 3.25Å; R359-Q363 PolarHBondContact O-N 3.06Å; R361-Q363 VanDerWaalsContact C-N 3.34Å; R361-Q363 PolarHBondContact O-N 2.84Å |
| 364 | Q | 42.1 | Very low | 46.7 | Very low | 174 Ų | 174 | 93.7 Ų | 93.7 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -7.8 | -177.1 | -79.5 | -177.5 | -18.2 | 0 | 0 | 116 | R361 R362 | R361-Q364 PolarHBondContact O-N 3.43Å; R362-Q364 PolarHBondContact O-N 3.2Å |
| 365 | E | 47.5 | Very low | 47 | Very low | 117 Ų | 117 | 91.7 Ų | 91.7 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | trans | -144.4 | 63 | -176.2 | -76.5 | -176.8 | 163.4 | 0 | 0 | 112.9 | ||||
| 366 | F | 46.3 | Very low | 47.1 | Very low | 85 Ų | 85 | 94.1 Ų | 94.1 | 37% | 0.373 | 46% | 0.462 | S | S | . | . | trans | -93.1 | 93.6 | 150.9 | -76.9 | -82.1 | 0 | 0 | 0 | 107.1 | Q325 F329 F368 | Q325-F366 HydrophobicContact CB-CE1 4.22Å; F329-F366 HydrophobicContact CB-CZ 4.31Å; F329-F366 HydrophobicContact CD2-CE2 4.32Å; F329-F366 AromaticContact CD2-CZ 3.93Å; F329-F366 HydrophobicContact CD2-CZ 3.93Å; F329-F366 HydrophobicContact CG-CZ 4.35Å; F366-F368 HydrophobicContact CB-CD2 4.34Å; F366-F368 HydrophobicContact CB-CE2 4.1Å; F366-F368 PolarHBondContact O-N 3.17Å; F366-F368 VanDerWaalsContact O-N 3.12Å | ||
| 367 | V | 50.4 | Low | 47.3 | Very low | 66 Ų | 66 | 95.5 Ų | 95.5 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | trans | -76.1 | 101.9 | 170.2 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | S124 V369 | S124-V367 WeakPolarHBondContact O-CB 3.36Å; S124-V367 WeakPolarHBondContact O-CG1 3.43Å; S124-V367 WeakPolarHBondContact O-CG2 3.46Å; V367-V369 PolarHBondContact O-N 3.45Å | ||
| 368 | F | 47.9 | Very low | 47.7 | Very low | 161 Ų | 161 | 95.7 Ų | 95.7 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | trans | -72.8 | 117.6 | 165.8 | -81.5 | -90.2 | 0 | 0 | 0 | 108 | F366 D370 | F366-F368 HydrophobicContact CB-CD2 4.34Å; F366-F368 HydrophobicContact CB-CE2 4.1Å; F366-F368 PolarHBondContact O-N 3.17Å; F366-F368 VanDerWaalsContact O-N 3.12Å; F368-D370 PolarHBondContact O-N 3.39Å | ||
| 369 | V | 52.2 | Low | 48.1 | Very low | 17 Ų | 17 | 99.1 Ų | 99.1 | 10% | 0.103 | 48% | 0.48 | C | S | . | . | trans | -77.1 | 110.1 | 168.8 | -176 | 0 | 0 | 0 | 0 | 106.7 | S124 V367 H371 V374 | S124-V369 VanDerWaalsContact OG-CG2 3.27Å; S124-V369 WeakPolarHBondContact OG-CG2 3.45Å; V367-V369 PolarHBondContact O-N 3.45Å; V369-H371 VanDerWaalsContact C-N 3.32Å; V369-H371 PolarHBondContact O-CD2 3.48Å; V369-H371 PolarHBondContact O-N 3.47Å; V369-V374 HydrophobicContact CG1-CG2 3.99Å | ||
| 370 | D | 51.4 | Low | 48.3 | Very low | 92 Ų | 92 | 97.2 Ų | 97.2 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | trans | -68.4 | 94.7 | 170.6 | -171.9 | -16.9 | 0 | 0 | 0 | 108.7 | F368 D372 V373 V374 | F368-D370 PolarHBondContact O-N 3.39Å; D370-D372 PolarHBondContact O-N 3.1Å; D370-D372 WeakPolarHBondContact OD1-CB 3.23Å; D370-D372 PolarHBondContact OD1-N 2.61Å; D370-V373 HydrophobicContact CB-CG2 4.27Å; D370-V373 PolarHBondContact O-N 3.48Å; D370-V373 PolarHBondContact OD1-N 3.12Å; D370-V373 WeakPolarHBondContact OD2-CG2 3.21Å; D370-V374 WeakPolarHBondContact O-CB 3.47Å; D370-V374 VanDerWaalsContact O-CG2 3.27Å; D370-V374 WeakPolarHBondContact O-CG2 3.4Å; D370-V374 PolarHBondContact O-N 2.85Å | ||
| 371 | H | 53.5 | Low | 48.6 | Very low | 40 Ų | 40 | 95.6 Ų | 95.6 | 19% | 0.185 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67.2 | -17.9 | -178.1 | -73.5 | -60.7 | 0 | 0 | 0 | 113 | D319 V369 G375 | D319-H371 IonicContact OD1-CD2 3.61Å; D319-H371 IonicContact OD1-CE1 3.44Å; D319-H371 PolarHBondContact OD1-CE1 2.98Å; D319-H371 IonicContact OD1-NE2 3.69Å; D319-H371 PolarHBondContact OD1-NE2 3.28Å; D319-H371 VanDerWaalsContact OD1-NE2 3.15Å; V369-H371 VanDerWaalsContact C-N 3.32Å; V369-H371 PolarHBondContact O-CD2 3.48Å; V369-H371 PolarHBondContact O-N 3.47Å; H371-G375 PolarHBondContact O-N 2.98Å |
| 372 | D | 49 | Very low | 49.2 | Very low | 137 Ų | 137 | 99.3 Ų | 99.3 | 73% | 0.733 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -79.4 | -33.5 | -179.9 | -69 | -26.8 | 0 | 0 | 0 | 111.6 | D370 | D370-D372 PolarHBondContact O-N 3.1Å; D370-D372 WeakPolarHBondContact OD1-CB 3.23Å; D370-D372 PolarHBondContact OD1-N 2.61Å |
| 373 | V | 48.4 | Very low | 49.7 | Very low | 90 Ų | 90 | 99.4 Ų | 99.4 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | D370 | D370-V373 HydrophobicContact CB-CG2 4.27Å; D370-V373 PolarHBondContact O-N 3.48Å; D370-V373 PolarHBondContact OD1-N 3.12Å; D370-V373 WeakPolarHBondContact OD2-CG2 3.21Å |
| 374 | V | 48.6 | Very low | 50.5 | Low | 24 Ų | 24 | 96.2 Ų | 96.2 | 15% | 0.145 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59 | -51.8 | 174.9 | 158.7 | 0 | 0 | 0 | 0 | 109.7 | L120 I315 V369 D370 Q376 D377 Y378 | L120-V374 HydrophobicContact CD1-CG1 4.19Å; I315-V374 HydrophobicContact CD1-CG1 3.82Å; I315-V374 HydrophobicContact CG1-CG1 4.15Å; V369-V374 HydrophobicContact CG1-CG2 3.99Å; D370-V374 WeakPolarHBondContact O-CB 3.47Å; D370-V374 VanDerWaalsContact O-CG2 3.27Å; D370-V374 WeakPolarHBondContact O-CG2 3.4Å; D370-V374 PolarHBondContact O-N 2.85Å; V374-Q376 VanDerWaalsContact C-N 3.27Å; V374-Q376 PolarHBondContact O-N 3.23Å; V374-Q376 VanDerWaalsContact O-N 3.14Å; V374-D377 PolarHBondContact O-N 3.03Å; V374-Y378 HydrophobicContact CB-CD2 4.19Å; V374-Y378 HydrophobicContact CB-CE2 3.89Å; V374-Y378 HydrophobicContact CG1-CD2 3.42Å; V374-Y378 VanDerWaalsContact CG1-CD2 3.42Å; V374-Y378 HydrophobicContact CG1-CE2 3.2Å; V374-Y378 HydrophobicContact CG2-CE2 4.32Å; V374-Y378 WeakPolarHBondContact O-CD2 3.45Å; V374-Y378 PolarHBondContact O-N 2.79Å |
| 375 | G | 46.9 | Very low | 51.5 | Low | 42 Ų | 42 | 89.4 Ų | 89.4 | 43% | 0.433 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.5 | -26.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | H371 | H371-G375 PolarHBondContact O-N 2.98Å |
| 376 | Q | 47.7 | Very low | 52.8 | Low | 163 Ų | 163 | 85.3 Ų | 85.3 | 76% | 0.762 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -78.9 | -32.4 | 174.7 | -76.1 | -174.5 | -12.6 | 0 | 0 | 113 | V374 | V374-Q376 VanDerWaalsContact C-N 3.27Å; V374-Q376 PolarHBondContact O-N 3.23Å; V374-Q376 VanDerWaalsContact O-N 3.14Å |
| 377 | D | 46.3 | Very low | 54.3 | Low | 120 Ų | 120 | 82.5 Ų | 82.5 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -82.1 | -25.2 | 177.2 | -88.9 | -22 | 0 | 0 | 0 | 113.5 | V374 K379 | V374-D377 PolarHBondContact O-N 3.03Å; D377-K379 PolarHBondContact O-N 3.48Å |
| 378 | Y | 51.5 | Low | 55.9 | Low | 44 Ų | 44 | 83.8 Ų | 83.8 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.1 | 177.9 | -72.1 | -74.6 | 0 | 0 | 0 | 115.1 | S116 L120 P312 I315 V374 H380 | S116-Y378 VanDerWaalsContact OG-CE1 3.3Å; S116-Y378 WeakPolarHBondContact OG-CE1 3.31Å; L120-Y378 WeakPolarHBondContact CB-OH 3.3Å; L120-Y378 HydrophobicContact CD1-CE2 4.11Å; L120-Y378 WeakPolarHBondContact CD1-OH 3.46Å; P312-Y378 HydrophobicContact CG-CD1 4.39Å; P312-Y378 HydrophobicContact CG-CG 4.37Å; I315-Y378 HydrophobicContact CD1-CD2 4Å; I315-Y378 HydrophobicContact CD1-CG 4.37Å; V374-Y378 HydrophobicContact CB-CD2 4.19Å; V374-Y378 HydrophobicContact CB-CE2 3.89Å; V374-Y378 HydrophobicContact CG1-CD2 3.42Å; V374-Y378 VanDerWaalsContact CG1-CD2 3.42Å; V374-Y378 HydrophobicContact CG1-CE2 3.2Å; V374-Y378 HydrophobicContact CG2-CE2 4.32Å; V374-Y378 WeakPolarHBondContact O-CD2 3.45Å; V374-Y378 PolarHBondContact O-N 2.79Å; Y378-H380 PolarHBondContact O-N 3.37Å |
| 379 | K | 52.2 | Low | 57.7 | Low | 145 Ų | 145 | 81.7 Ų | 81.7 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | trans | -72.8 | 50.6 | 154.8 | -72.5 | -172 | 179.1 | 177.5 | 0 | 110.4 | D377 P381 Y384 | D377-K379 PolarHBondContact O-N 3.48Å; K379-P381 WeakPolarHBondContact O-CD 3.39Å; K379-P381 VanDerWaalsContact O-N 3.08Å; K379-Y384 HydrophobicContact CB-CE2 4.27Å; K379-Y384 HydrophobicContact CG-CE2 4.16Å | ||
| 380 | H | 53.1 | Low | 59.4 | Low | 87 Ų | 87 | 80.9 Ų | 80.9 | 40% | 0.403 | 42% | 0.418 | S | S | . | . | trans | -58.8 | 118.6 | 175.9 | -105 | -63.1 | 0 | 0 | 0 | 107.9 | Y378 Y382 V383 | Y378-H380 PolarHBondContact O-N 3.37Å; H380-Y382 PolarHBondContact O-N 2.96Å; H380-V383 HydrophobicContact CB-CG2 3.96Å; H380-V383 PolarHBondContact O-N 3.46Å | ||
| 381 | P | 52.2 | Low | 61.2 | Low | 101 Ų | 101 | 80.7 Ų | 80.7 | 66% | 0.656 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -54.1 | -27.2 | 178.8 | -26.7 | 34.8 | 0 | 0 | 0 | 112.3 | K379 G385 | K379-P381 WeakPolarHBondContact O-CD 3.39Å; K379-P381 VanDerWaalsContact O-N 3.08Å; P381-G385 PolarHBondContact O-N 2.92Å |
| 382 | Y | 56 | Low | 62.9 | Low | 181 Ų | 181 | 82.5 Ų | 82.5 | 71% | 0.71 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 175.1 | -72.6 | -80.7 | 0 | 0 | 0 | 114 | H380 N386 | H380-Y382 PolarHBondContact O-N 2.96Å; Y382-N386 WeakPolarHBondContact O-CB 3.18Å; Y382-N386 PolarHBondContact O-N 3.33Å |
| 383 | V | 58.6 | Low | 65.1 | Low | 38 Ų | 38 | 76.8 Ų | 76.8 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.5 | -45.1 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | Q308 H380 N386 Y387 | Q308-V383 HydrophobicContact CB-CG1 3.93Å; H380-V383 HydrophobicContact CB-CG2 3.96Å; H380-V383 PolarHBondContact O-N 3.46Å; V383-N386 PolarHBondContact O-N 3.34Å; V383-Y387 PolarHBondContact O-N 3.35Å; V383-Y387 VanDerWaalsContact O-N 3.16Å |
| 384 | Y | 58.5 | Low | 67.1 | Low | 97 Ų | 97 | 72.6 Ų | 72.6 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 174.6 | -74.3 | -76.5 | 0 | 0 | 0 | 112 | V309 K379 N386 Y387 D388 | V309-Y384 HydrophobicContact CG1-CE1 4.18Å; K379-Y384 HydrophobicContact CB-CE2 4.27Å; K379-Y384 HydrophobicContact CG-CE2 4.16Å; Y384-N386 VanDerWaalsContact C-N 3.3Å; Y384-N386 PolarHBondContact O-N 3.33Å; Y384-Y387 PolarHBondContact O-N 3Å; Y384-D388 PolarHBondContact O-N 3.47Å |
| 385 | G | 63.5 | Low | 69.2 | Low | 30 Ų | 30 | 74.4 Ų | 74.4 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P381 M389 | P381-G385 PolarHBondContact O-N 2.92Å; G385-M389 WeakPolarHBondContact O-CG 3.05Å; G385-M389 PolarHBondContact O-N 3.48Å; G385-M389 VanDerWaalsContact O-N 3.14Å |
| 386 | N | 74.2 | Confident | 71.4 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 17% | 0.171 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 176.9 | -148.6 | 20.3 | 0 | 0 | 0 | 111.1 | Y105 S109 Y382 V383 Y384 D388 M389 L390 | Y105-N386 WeakPolarHBondContact CD2-OD1 3.39Å; Y105-N386 HydrophobicContact CE2-CB 4.11Å; Y105-N386 WeakPolarHBondContact CE2-O 3.42Å; Y105-N386 WeakPolarHBondContact CE2-OD1 3.36Å; Y105-N386 PolarHBondContact OH-O 3.46Å; S109-N386 PolarHBondContact OG-ND2 2.99Å; Y382-N386 WeakPolarHBondContact O-CB 3.18Å; Y382-N386 PolarHBondContact O-N 3.33Å; V383-N386 PolarHBondContact O-N 3.34Å; Y384-N386 VanDerWaalsContact C-N 3.3Å; Y384-N386 PolarHBondContact O-N 3.33Å; N386-D388 PolarHBondContact O-N 2.86Å; N386-M389 WeakPolarHBondContact O-CB 3.32Å; N386-M389 PolarHBondContact O-N 3.39Å; N386-M389 VanDerWaalsContact O-N 3.15Å; N386-L390 PolarHBondContact O-N 3.43Å |
| 387 | Y | 79.2 | Confident | 73.6 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.7 | 173.5 | -96.2 | 0 | 0 | 0 | 113 | K301 S303 F306 V309 V383 Y384 M389 L390 K391 | K301-Y387 PolarHBondContact O-OH 3.2Å; S303-Y387 WeakPolarHBondContact CA-OH 3.32Å; S303-Y387 WeakPolarHBondContact CB-OH 3.42Å; S303-Y387 PolarHBondContact N-OH 3.39Å; F306-Y387 HydrophobicContact CD2-CD2 4.28Å; F306-Y387 HydrophobicContact CD2-CE2 4.43Å; V309-Y387 HydrophobicContact CG2-CD2 4.01Å; V309-Y387 HydrophobicContact CG2-CG 4.13Å; V383-Y387 PolarHBondContact O-N 3.35Å; V383-Y387 VanDerWaalsContact O-N 3.16Å; Y384-Y387 PolarHBondContact O-N 3Å; Y387-M389 VanDerWaalsContact C-N 3.31Å; Y387-M389 PolarHBondContact O-N 3.44Å; Y387-L390 PolarHBondContact O-N 3.47Å; Y387-K391 WeakPolarHBondContact O-CB 3.39Å; Y387-K391 PolarHBondContact O-N 2.88Å |
| 388 | D | 82.5 | Confident | 75.6 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 176.8 | -72.7 | -29.1 | 0 | 0 | 0 | 111.9 | Y384 N386 K391 S392 | Y384-D388 PolarHBondContact O-N 3.47Å; N386-D388 PolarHBondContact O-N 2.86Å; D388-K391 PolarHBondContact O-N 2.97Å; D388-S392 WeakPolarHBondContact O-CB 3.39Å; D388-S392 PolarHBondContact O-N 2.96Å |
| 389 | M | 86.3 | Confident | 77.4 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 58% | 0.576 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -47 | 172.1 | -73.5 | -177.6 | 173.9 | 0 | 0 | 111.9 | G385 N386 Y387 K391 S392 W393 | G385-M389 WeakPolarHBondContact O-CG 3.05Å; G385-M389 PolarHBondContact O-N 3.48Å; G385-M389 VanDerWaalsContact O-N 3.14Å; N386-M389 WeakPolarHBondContact O-CB 3.32Å; N386-M389 PolarHBondContact O-N 3.39Å; N386-M389 VanDerWaalsContact O-N 3.15Å; Y387-M389 VanDerWaalsContact C-N 3.31Å; Y387-M389 PolarHBondContact O-N 3.44Å; M389-K391 VanDerWaalsContact C-N 3.32Å; M389-K391 PolarHBondContact O-N 3.38Å; M389-S392 PolarHBondContact O-N 2.68Å; M389-W393 WeakPolarHBondContact O-CB 3.41Å; M389-W393 PolarHBondContact O-N 2.99Å |
| 390 | L | 88.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.9 | -178.4 | 69.4 | 0 | 0 | 0 | 111.7 | L102 Y105 L300 F306 N386 Y387 W393 A394 | L102-L390 HydrophobicContact CD1-CD1 4.01Å; Y105-L390 HydrophobicContact CD1-CD1 3.93Å; Y105-L390 HydrophobicContact CD1-CD2 4.44Å; Y105-L390 HydrophobicContact CD2-CB 4.35Å; Y105-L390 HydrophobicContact CE1-CB 4.05Å; Y105-L390 HydrophobicContact CE1-CD1 3.99Å; Y105-L390 HydrophobicContact CE1-CD2 3.72Å; Y105-L390 HydrophobicContact CE1-CG 4.13Å; Y105-L390 HydrophobicContact CE2-CB 3.68Å; Y105-L390 HydrophobicContact CG-CD1 4.25Å; L300-L390 HydrophobicContact CB-CD2 4.44Å; F306-L390 HydrophobicContact CD2-CD2 4.28Å; F306-L390 HydrophobicContact CE1-CD2 4.38Å; F306-L390 HydrophobicContact CE2-CD2 3.28Å; F306-L390 HydrophobicContact CZ-CD2 3.34Å; N386-L390 PolarHBondContact O-N 3.43Å; Y387-L390 PolarHBondContact O-N 3.47Å; L390-W393 HydrophobicContact CD1-CE3 3.8Å; L390-W393 HydrophobicContact CD1-CZ3 4.11Å; L390-W393 PolarHBondContact O-N 2.91Å; L390-A394 WeakPolarHBondContact O-CB 3.48Å; L390-A394 PolarHBondContact O-N 2.92Å |
| 391 | K | 88.3 | Confident | 81.4 | Confident | 88 Ų | 88 | 59.6 Ų | 59.6 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 177.6 | -177.9 | -178.6 | 174.4 | -172.4 | 0 | 111.2 | K301 Y387 D388 M389 W393 A394 D395 | K301-K391 HydrophobicContact CB-CG 4.37Å; K301-K391 HydrophobicContact CG-CG 4.16Å; Y387-K391 WeakPolarHBondContact O-CB 3.39Å; Y387-K391 PolarHBondContact O-N 2.88Å; D388-K391 PolarHBondContact O-N 2.97Å; M389-K391 VanDerWaalsContact C-N 3.32Å; M389-K391 PolarHBondContact O-N 3.38Å; K391-W393 VanDerWaalsContact C-N 3.34Å; K391-W393 PolarHBondContact O-N 3.4Å; K391-A394 PolarHBondContact O-N 3.43Å; K391-D395 PolarHBondContact O-N 2.99Å |
| 392 | S | 90.6 | Very high | 83.1 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63 | -39.9 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | D388 M389 D395 S396 | D388-S392 WeakPolarHBondContact O-CB 3.39Å; D388-S392 PolarHBondContact O-N 2.96Å; M389-S392 PolarHBondContact O-N 2.68Å; S392-D395 PolarHBondContact O-N 2.78Å; S392-S396 PolarHBondContact O-N 3.46Å |
| 393 | W | 93.6 | Very high | 84.8 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 173.7 | 170.7 | 81.4 | 0 | 0 | 0 | 111.4 | D98 Y101 L102 L219 L223 L300 M389 L390 K391 D395 S396 I397 | D98-W393 HydrophobicContact CB-CZ2 4.09Å; D98-W393 PolarHBondContact OD1-NE1 3.41Å; Y101-W393 HydrophobicContact CD1-CB 4.33Å; Y101-W393 AromaticContact CD1-CD1 3.32Å; Y101-W393 AromaticContact CD1-CD2 3.63Å; Y101-W393 HydrophobicContact CD1-CD2 3.63Å; Y101-W393 AromaticContact CD1-CE2 3.51Å; Y101-W393 HydrophobicContact CD1-CE3 4.5Å; Y101-W393 AromaticContact CD1-CG 3.5Å; Y101-W393 HydrophobicContact CD1-CG 3.5Å; Y101-W393 HydrophobicContact CD1-CZ2 4.27Å; Y101-W393 AromaticContact CD1-NE1 3.33Å; Y101-W393 VanDerWaalsContact CD1-NE1 3.33Å; Y101-W393 HydrophobicContact CE1-CB 3.53Å; Y101-W393 AromaticContact CE1-CD1 3.41Å; Y101-W393 VanDerWaalsContact CE1-CD1 3.41Å; Y101-W393 AromaticContact CE1-CD2 3.6Å; Y101-W393 HydrophobicContact CE1-CD2 3.6Å; Y101-W393 HydrophobicContact CE1-CE3 4.33Å; Y101-W393 AromaticContact CE1-CG 3.18Å; Y101-W393 HydrophobicContact CE1-CG 3.18Å; Y101-W393 AromaticContact CE1-NE1 3.9Å; Y101-W393 AromaticContact CG-CD1 3.96Å; Y101-W393 AromaticContact CG-NE1 3.93Å; Y101-W393 AromaticContact CZ-CG 3.99Å; L102-W393 HydrophobicContact CB-CH2 3.85Å; L102-W393 HydrophobicContact CB-CZ2 4.05Å; L102-W393 HydrophobicContact CD1-CH2 4.01Å; L102-W393 HydrophobicContact CD1-CZ3 3.91Å; L102-W393 HydrophobicContact CD2-CH2 3.93Å; L102-W393 HydrophobicContact CD2-CZ3 4.5Å; L102-W393 HydrophobicContact CG-CH2 4.15Å; L219-W393 HydrophobicContact CD2-CH2 3.75Å; L219-W393 HydrophobicContact CD2-CZ3 4.07Å; L223-W393 HydrophobicContact CD1-CZ2 4.5Å; L300-W393 HydrophobicContact CD1-CZ3 4.26Å; M389-W393 WeakPolarHBondContact O-CB 3.41Å; M389-W393 PolarHBondContact O-N 2.99Å; L390-W393 HydrophobicContact CD1-CE3 3.8Å; L390-W393 HydrophobicContact CD1-CZ3 4.11Å; L390-W393 PolarHBondContact O-N 2.91Å; K391-W393 VanDerWaalsContact C-N 3.34Å; K391-W393 PolarHBondContact O-N 3.4Å; W393-D395 VanDerWaalsContact C-N 3.32Å; W393-D395 PolarHBondContact O-N 2.64Å; W393-S396 WeakPolarHBondContact O-CA 3.41Å; W393-S396 VanDerWaalsContact O-CB 3.3Å; W393-S396 WeakPolarHBondContact O-CB 3.21Å; W393-S396 PolarHBondContact O-N 3.04Å; W393-S396 PolarHBondContact O-OG 3.24Å; W393-I397 HydrophobicContact CD2-CD1 4.48Å; W393-I397 HydrophobicContact CD2-CG1 4.18Å; W393-I397 HydrophobicContact CE3-CG1 4.4Å; W393-I397 HydrophobicContact CH2-CD1 4.18Å; W393-I397 HydrophobicContact CH2-CG1 4.1Å; W393-I397 HydrophobicContact CZ2-CD1 3.55Å; W393-I397 HydrophobicContact CZ2-CG1 3.87Å; W393-I397 HydrophobicContact CZ3-CG1 4.36Å; W393-I397 WeakPolarHBondContact O-CG1 3.36Å; W393-I397 PolarHBondContact O-N 3.14Å |
| 394 | A | 92.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A297 K301 L390 K391 S396 I397 | A297-A394 HydrophobicContact CB-CB 4.44Å; A297-A394 WeakPolarHBondContact O-CB 3.37Å; K301-A394 HydrophobicContact CD-CB 3.97Å; K301-A394 HydrophobicContact CG-CB 3.56Å; L390-A394 WeakPolarHBondContact O-CB 3.48Å; L390-A394 PolarHBondContact O-N 2.92Å; K391-A394 PolarHBondContact O-N 3.43Å; A394-S396 VanDerWaalsContact C-N 3.27Å; A394-S396 PolarHBondContact O-N 3.39Å; A394-I397 WeakPolarHBondContact O-CB 3.46Å; A394-I397 PolarHBondContact O-N 3.47Å |
| 395 | D | 91.7 | Very high | 88.1 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 171.5 | -72.4 | -34.9 | 0 | 0 | 0 | 111.8 | K301 K391 S392 W393 H398 | K301-D395 WeakPolarHBondContact CE-OD1 3.24Å; K301-D395 IonicContact NZ-OD1 2.86Å; K301-D395 PolarHBondContact NZ-OD1 2.93Å; K391-D395 PolarHBondContact O-N 2.99Å; S392-D395 PolarHBondContact O-N 2.78Å; W393-D395 VanDerWaalsContact C-N 3.32Å; W393-D395 PolarHBondContact O-N 2.64Å; D395-H398 PolarHBondContact O-N 3.37Å |
| 396 | S | 93.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 176.9 | 86.8 | 0 | 0 | 0 | 0 | 113.1 | S392 W393 A394 H398 N399 K400 | S392-S396 PolarHBondContact O-N 3.46Å; W393-S396 WeakPolarHBondContact O-CA 3.41Å; W393-S396 VanDerWaalsContact O-CB 3.3Å; W393-S396 WeakPolarHBondContact O-CB 3.21Å; W393-S396 PolarHBondContact O-N 3.04Å; W393-S396 PolarHBondContact O-OG 3.24Å; A394-S396 VanDerWaalsContact C-N 3.27Å; A394-S396 PolarHBondContact O-N 3.39Å; S396-H398 VanDerWaalsContact C-N 3.29Å; S396-H398 PolarHBondContact O-N 2.04Å; S396-N399 PolarHBondContact O-N 3.28Å; S396-K400 VanDerWaalsContact O-CB 3.25Å; S396-K400 WeakPolarHBondContact O-CB 3.4Å; S396-K400 PolarHBondContact O-N 3.04Å |
| 397 | I | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 177.1 | -65.7 | -65.8 | 0 | 0 | 0 | 110.3 | D98 I293 A297 W393 A394 N399 K400 Y401 | D98-I397 HydrophobicContact CB-CD1 3.92Å; D98-I397 VanDerWaalsContact CG-CD1 3.42Å; D98-I397 WeakPolarHBondContact OD2-CD1 3.46Å; I293-I397 HydrophobicContact CG2-CG2 4.09Å; A297-I397 HydrophobicContact CB-CB 4.08Å; A297-I397 HydrophobicContact CB-CG1 4.33Å; A297-I397 HydrophobicContact CB-CG2 3.78Å; W393-I397 HydrophobicContact CD2-CD1 4.48Å; W393-I397 HydrophobicContact CD2-CG1 4.18Å; W393-I397 HydrophobicContact CE3-CG1 4.4Å; W393-I397 HydrophobicContact CH2-CD1 4.18Å; W393-I397 HydrophobicContact CH2-CG1 4.1Å; W393-I397 HydrophobicContact CZ2-CD1 3.55Å; W393-I397 HydrophobicContact CZ2-CG1 3.87Å; W393-I397 HydrophobicContact CZ3-CG1 4.36Å; W393-I397 WeakPolarHBondContact O-CG1 3.36Å; W393-I397 PolarHBondContact O-N 3.14Å; A394-I397 WeakPolarHBondContact O-CB 3.46Å; A394-I397 PolarHBondContact O-N 3.47Å; I397-N399 PolarHBondContact O-N 2.9Å; I397-K400 PolarHBondContact O-N 2.7Å; I397-Y401 HydrophobicContact CB-CD2 4.46Å; I397-Y401 HydrophobicContact CD1-CD2 4.42Å; I397-Y401 HydrophobicContact CD1-CE2 3.74Å; I397-Y401 HydrophobicContact CG2-CD2 3.72Å; I397-Y401 HydrophobicContact CG2-CE2 4.05Å; I397-Y401 VanDerWaalsContact O-CD2 3.28Å; I397-Y401 WeakPolarHBondContact O-CD2 3.39Å; I397-Y401 PolarHBondContact O-N 2.9Å; I397-Y401 VanDerWaalsContact O-N 3.07Å |
| 398 | H | 87.9 | Confident | 90.7 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.7 | -52.8 | 177.9 | -179.1 | -89.7 | 0 | 0 | 0 | 111.3 | V294 D395 S396 K400 L402 | V294-H398 HydrophobicContact CG1-CB 4.32Å; D395-H398 PolarHBondContact O-N 3.37Å; S396-H398 VanDerWaalsContact C-N 3.29Å; S396-H398 PolarHBondContact O-N 2.04Å; H398-K400 VanDerWaalsContact C-N 3.34Å; H398-K400 PolarHBondContact O-N 3.28Å; H398-L402 WeakPolarHBondContact CE1-CD1 3.26Å; H398-L402 WeakPolarHBondContact ND1-CD1 3.42Å; H398-L402 WeakPolarHBondContact O-CB 3.39Å; H398-L402 WeakPolarHBondContact O-CG 3.28Å; H398-L402 PolarHBondContact O-N 3.39Å |
| 399 | N | 89.5 | Confident | 90.9 | Very high | 110 Ų | 110 | 50 Ų | 50 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.6 | -32.5 | -178 | -65.5 | -28.9 | 0 | 0 | 0 | 113 | S396 I397 P403 | S396-N399 PolarHBondContact O-N 3.28Å; I397-N399 PolarHBondContact O-N 2.9Å; N399-P403 WeakPolarHBondContact O-CD 3.29Å |
| 400 | K | 94.2 | Very high | 91.2 | Very high | 66 Ų | 66 | 46 Ų | 46 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.2 | -42.7 | -178.3 | -168.2 | -175.2 | -61.5 | -178 | 0 | 112.6 | N94 D98 S396 I397 H398 P403 | N94-K400 HydrophobicContact CB-CD 4.09Å; D98-K400 IonicContact OD1-NZ 2.7Å; D98-K400 PolarHBondContact OD1-NZ 2.96Å; D98-K400 WeakPolarHBondContact OD2-CD 3.42Å; D98-K400 IonicContact OD2-NZ 2.78Å; D98-K400 PolarHBondContact OD2-NZ 3.45Å; S396-K400 VanDerWaalsContact O-CB 3.25Å; S396-K400 WeakPolarHBondContact O-CB 3.4Å; S396-K400 PolarHBondContact O-N 3.04Å; I397-K400 PolarHBondContact O-N 2.7Å; H398-K400 VanDerWaalsContact C-N 3.34Å; H398-K400 PolarHBondContact O-N 3.28Å; K400-P403 WeakPolarHBondContact O-CD 3.26Å |
| 401 | Y | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -96.5 | -17.9 | -172.9 | -65.8 | -68.2 | 0 | 0 | 0 | 115.1 | N94 L95 D98 L223 I290 I293 I397 P403 V404 R405 | N94-Y401 VanDerWaalsContact C-OH 3.26Å; N94-Y401 PolarHBondContact O-OH 2.96Å; L95-Y401 VanDerWaalsContact CA-OH 3.3Å; L95-Y401 WeakPolarHBondContact CA-OH 3.43Å; L95-Y401 HydrophobicContact CD2-CD1 4.24Å; L95-Y401 HydrophobicContact CD2-CE1 3.4Å; L95-Y401 HydrophobicContact CG-CE1 3.8Å; L95-Y401 PolarHBondContact N-OH 2.8Å; D98-Y401 WeakPolarHBondContact OD2-CE2 3.47Å; D98-Y401 PolarHBondContact OD2-OH 3.31Å; L223-Y401 HydrophobicContact CD2-CE2 4.21Å; I290-Y401 HydrophobicContact CD1-CD1 4.26Å; I293-Y401 HydrophobicContact CG2-CD2 4.48Å; I397-Y401 HydrophobicContact CB-CD2 4.46Å; I397-Y401 HydrophobicContact CD1-CD2 4.42Å; I397-Y401 HydrophobicContact CD1-CE2 3.74Å; I397-Y401 HydrophobicContact CG2-CD2 3.72Å; I397-Y401 HydrophobicContact CG2-CE2 4.05Å; I397-Y401 VanDerWaalsContact O-CD2 3.28Å; I397-Y401 WeakPolarHBondContact O-CD2 3.39Å; I397-Y401 PolarHBondContact O-N 2.9Å; I397-Y401 VanDerWaalsContact O-N 3.07Å; Y401-P403 VanDerWaalsContact C-CD 3.47Å; Y401-V404 HydrophobicContact CD1-CG2 3.99Å; Y401-V404 VanDerWaalsContact O-CG2 3.29Å; Y401-V404 WeakPolarHBondContact O-CG2 3.5Å; Y401-V404 PolarHBondContact O-N 2.88Å; Y401-V404 VanDerWaalsContact O-N 3.11Å; Y401-R405 PolarHBondContact O-N 3.46Å |
| 402 | L | 89.6 | Confident | 91.4 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -50.1 | -46 | 174 | -88.5 | 177.2 | 0 | 0 | 0 | 113.7 | H398 V404 R405 | H398-L402 WeakPolarHBondContact CE1-CD1 3.26Å; H398-L402 WeakPolarHBondContact ND1-CD1 3.42Å; H398-L402 WeakPolarHBondContact O-CB 3.39Å; H398-L402 WeakPolarHBondContact O-CG 3.28Å; H398-L402 PolarHBondContact O-N 3.39Å; L402-V404 PolarHBondContact O-N 3.47Å; L402-R405 WeakPolarHBondContact O-CG 3.45Å; L402-R405 PolarHBondContact O-N 2.97Å |
| 403 | P | 90.7 | Very high | 91.4 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 53% | 0.532 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -66.2 | -21.8 | -178.9 | -22.2 | 34.8 | 0 | 0 | 0 | 114.5 | N399 K400 Y401 T410 | N399-P403 WeakPolarHBondContact O-CD 3.29Å; K400-P403 WeakPolarHBondContact O-CD 3.26Å; Y401-P403 VanDerWaalsContact C-CD 3.47Å; P403-T410 PolarHBondContact O-OG1 2.94Å |
| 404 | V | 92.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -108.8 | 17.3 | -176.1 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | I91 W286 Y401 L402 K406 | I91-V404 HydrophobicContact CD1-CB 4.18Å; I91-V404 HydrophobicContact CD1-CG1 3.89Å; I91-V404 HydrophobicContact CG1-CG1 4.1Å; W286-V404 PolarHBondContact NE1-O 2.93Å; Y401-V404 HydrophobicContact CD1-CG2 3.99Å; Y401-V404 VanDerWaalsContact O-CG2 3.29Å; Y401-V404 WeakPolarHBondContact O-CG2 3.5Å; Y401-V404 PolarHBondContact O-N 2.88Å; Y401-V404 VanDerWaalsContact O-N 3.11Å; L402-V404 PolarHBondContact O-N 3.47Å; V404-K406 PolarHBondContact O-N 3.5Å |
| 405 | R | 93.3 | Very high | 91.3 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -60.1 | -26.4 | 174.3 | -83 | 178.4 | 76.5 | -161.6 | 8 | 114.3 | L287 I290 D291 Y401 L402 | L287-R405 WeakPolarHBondContact CA-O 3.49Å; L287-R405 HydrophobicContact CD1-CB 3.7Å; L287-R405 HydrophobicContact CD1-CG 4.14Å; L287-R405 VanDerWaalsContact CD1-NE 3.27Å; I290-R405 HydrophobicContact CB-CG 4.34Å; I290-R405 HydrophobicContact CG2-CG 3.64Å; D291-R405 IonicContact OD1-CZ 3.69Å; D291-R405 IonicContact OD1-NE 3.62Å; D291-R405 PolarHBondContact OD1-NE 2.7Å; D291-R405 IonicContact OD1-NH2 3.18Å; D291-R405 PolarHBondContact OD1-NH2 2.9Å; D291-R405 IonicContact OD2-CZ 2.79Å; D291-R405 IonicContact OD2-NH2 3.95Å; D291-R405 PolarHBondContact OD2-NH2 3.35Å; Y401-R405 PolarHBondContact O-N 3.46Å; L402-R405 WeakPolarHBondContact O-CG 3.45Å; L402-R405 PolarHBondContact O-N 2.97Å |
| 406 | K | 92 | Very high | 91.3 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -127.7 | 75.6 | 176.8 | -66.9 | -169.2 | 175.5 | -168.8 | 0 | 109.5 | D283 V404 F408 S409 T410 | D283-K406 HydrophobicContact CB-CB 4.18Å; D283-K406 HydrophobicContact CB-CG 4.29Å; D283-K406 VanDerWaalsContact OD1-C 3.31Å; V404-K406 PolarHBondContact O-N 3.5Å; K406-F408 VanDerWaalsContact C-N 3.34Å; K406-F408 PolarHBondContact O-N 3.44Å; K406-S409 WeakPolarHBondContact O-CB 3.24Å; K406-S409 PolarHBondContact O-N 2.92Å; K406-T410 WeakPolarHBondContact O-CB 3.41Å; K406-T410 PolarHBondContact O-N 2.93Å; K406-T410 PolarHBondContact O-OG1 2.89Å; K406-T410 VanDerWaalsContact O-OG1 3.06Å |
| 407 | P | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -35.5 | -164.1 | 25.3 | -36.5 | 0 | 0 | 0 | 113.3 | W88 D283 W286 T410 I411 | W88-P407 HydrophobicContact CH2-CB 3.69Å; W88-P407 HydrophobicContact CH2-CG 4.16Å; W88-P407 HydrophobicContact CZ3-CB 3.74Å; W88-P407 HydrophobicContact CZ3-CG 4.36Å; D283-P407 WeakPolarHBondContact OD1-CD 3.41Å; D283-P407 WeakPolarHBondContact OD1-CG 3.07Å; D283-P407 VanDerWaalsContact OD1-N 3.11Å; W286-P407 HydrophobicContact CB-CG 4.13Å; W286-P407 HydrophobicContact CD2-CG 4.1Å; W286-P407 HydrophobicContact CG-CG 3.65Å; P407-T410 PolarHBondContact O-N 2.86Å; P407-I411 PolarHBondContact O-N 3.02Å |
| 408 | F | 88.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.3 | -35.7 | 176.9 | -70.4 | -81.8 | 0 | 0 | 0 | 112 | W84 W88 L233 F276 W279 F282 D283 K406 T410 I411 I412 | W84-F408 HydrophobicContact CH2-CD1 4.37Å; W84-F408 AromaticContact CH2-CE1 3.84Å; W84-F408 HydrophobicContact CH2-CE1 3.84Å; W88-F408 HydrophobicContact CH2-CD2 4.43Å; W88-F408 HydrophobicContact CH2-CE1 4.31Å; W88-F408 HydrophobicContact CH2-CE2 4.01Å; W88-F408 AromaticContact CH2-CZ 3.95Å; W88-F408 HydrophobicContact CH2-CZ 3.95Å; W88-F408 HydrophobicContact CZ2-CD1 4.23Å; W88-F408 AromaticContact CZ2-CE1 3.75Å; W88-F408 HydrophobicContact CZ2-CE1 3.75Å; W88-F408 HydrophobicContact CZ2-CE2 4.26Å; W88-F408 AromaticContact CZ2-CZ 3.76Å; W88-F408 HydrophobicContact CZ2-CZ 3.76Å; L233-F408 HydrophobicContact CD2-CZ 4.21Å; F276-F408 HydrophobicContact CD1-CD1 4.39Å; W279-F408 HydrophobicContact CB-CD1 3.34Å; W279-F408 HydrophobicContact CB-CD2 4.09Å; W279-F408 HydrophobicContact CB-CE1 3.3Å; W279-F408 HydrophobicContact CB-CE2 4.08Å; W279-F408 HydrophobicContact CB-CG 3.74Å; W279-F408 HydrophobicContact CB-CZ 3.71Å; W279-F408 AromaticContact CD2-CE1 3.88Å; W279-F408 HydrophobicContact CD2-CE1 3.88Å; W279-F408 AromaticContact CD2-CZ 3.89Å; W279-F408 HydrophobicContact CD2-CZ 3.89Å; W279-F408 HydrophobicContact CE3-CE1 4.07Å; W279-F408 HydrophobicContact CE3-CE2 4.28Å; W279-F408 AromaticContact CE3-CZ 3.58Å; W279-F408 HydrophobicContact CE3-CZ 3.58Å; W279-F408 HydrophobicContact CG-CD1 4.05Å; W279-F408 AromaticContact CG-CE1 3.57Å; W279-F408 HydrophobicContact CG-CE1 3.57Å; W279-F408 AromaticContact CG-CZ 3.98Å; W279-F408 HydrophobicContact CG-CZ 3.98Å; W279-F408 HydrophobicContact CZ3-CZ 4.49Å; W279-F408 VanDerWaalsContact O-CD2 3.31Å; W279-F408 WeakPolarHBondContact O-CD2 3.3Å; F282-F408 HydrophobicContact CB-CD2 4.04Å; F282-F408 HydrophobicContact CB-CE2 3.73Å; F282-F408 AromaticContact CD1-CD2 3.96Å; F282-F408 HydrophobicContact CD1-CD2 3.96Å; F282-F408 AromaticContact CD1-CE2 3.44Å; F282-F408 HydrophobicContact CD1-CE2 3.44Å; F282-F408 VanDerWaalsContact CD1-CE2 3.44Å; F282-F408 HydrophobicContact CE1-CE2 4.18Å; F282-F408 HydrophobicContact CG-CD2 4.39Å; F282-F408 AromaticContact CG-CE2 3.77Å; F282-F408 HydrophobicContact CG-CE2 3.77Å; D283-F408 WeakPolarHBondContact OD1-CB 3.4Å; D283-F408 WeakPolarHBondContact OD1-CD2 3.04Å; D283-F408 PolarHBondContact OD1-N 3.43Å; K406-F408 VanDerWaalsContact C-N 3.34Å; K406-F408 PolarHBondContact O-N 3.44Å; F408-T410 VanDerWaalsContact C-N 3.29Å; F408-T410 PolarHBondContact O-N 3.49Å; F408-I411 WeakPolarHBondContact O-CG2 3.48Å; F408-I412 WeakPolarHBondContact O-CD1 3.36Å; F408-I412 VanDerWaalsContact O-CG1 3.31Å; F408-I412 WeakPolarHBondContact O-CG1 3.5Å; F408-I412 PolarHBondContact O-N 2.86Å |
| 409 | S | 87.3 | Confident | 90.2 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 168.3 | -57.4 | 0 | 0 | 0 | 0 | 112 | D283 K406 K413 | D283-S409 WeakPolarHBondContact OD2-CB 3.14Å; D283-S409 PolarHBondContact OD2-N 3.32Å; D283-S409 PolarHBondContact OD2-OG 3.46Å; K406-S409 WeakPolarHBondContact O-CB 3.24Å; K406-S409 PolarHBondContact O-N 2.92Å; S409-K413 WeakPolarHBondContact O-CG 3.13Å; S409-K413 PolarHBondContact O-N 3.33Å |
| 410 | T | 91.4 | Very high | 90 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.8 | -37.5 | -178.9 | -61.5 | 0 | 0 | 0 | 0 | 112 | F87 P403 K406 P407 F408 I412 K413 Y414 | F87-T410 HydrophobicContact CE2-CG2 3.98Å; F87-T410 HydrophobicContact CZ-CG2 4.07Å; P403-T410 PolarHBondContact O-OG1 2.94Å; K406-T410 WeakPolarHBondContact O-CB 3.41Å; K406-T410 PolarHBondContact O-N 2.93Å; K406-T410 PolarHBondContact O-OG1 2.89Å; K406-T410 VanDerWaalsContact O-OG1 3.06Å; P407-T410 PolarHBondContact O-N 2.86Å; F408-T410 VanDerWaalsContact C-N 3.29Å; F408-T410 PolarHBondContact O-N 3.49Å; T410-I412 VanDerWaalsContact C-N 3.32Å; T410-I412 PolarHBondContact O-N 2.69Å; T410-K413 WeakPolarHBondContact O-CB 3.35Å; T410-K413 PolarHBondContact O-N 3.31Å; T410-K413 VanDerWaalsContact O-N 3.12Å; T410-Y414 PolarHBondContact O-N 2.71Å |
| 411 | I | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -35 | 179 | -157.9 | 174.2 | 0 | 0 | 0 | 111.9 | W84 F87 P407 F408 K413 Y414 F415 | W84-I411 HydrophobicContact CD2-CD1 4.15Å; W84-I411 HydrophobicContact CE3-CD1 3.36Å; W84-I411 HydrophobicContact CH2-CD1 4.4Å; W84-I411 HydrophobicContact CZ3-CD1 3.48Å; W84-I411 VanDerWaalsContact CZ3-CD1 3.48Å; W84-I411 HydrophobicContact CZ3-CG2 4.3Å; F87-I411 HydrophobicContact CB-CD1 3.88Å; F87-I411 HydrophobicContact CB-CG1 4.02Å; F87-I411 HydrophobicContact CD1-CB 3.87Å; F87-I411 HydrophobicContact CD1-CD1 3.37Å; F87-I411 HydrophobicContact CD1-CG1 3.53Å; F87-I411 HydrophobicContact CD2-CB 4.25Å; F87-I411 HydrophobicContact CD2-CD1 4.49Å; F87-I411 HydrophobicContact CD2-CG1 3.85Å; F87-I411 HydrophobicContact CE1-CB 3.64Å; F87-I411 HydrophobicContact CE1-CD1 3.98Å; F87-I411 HydrophobicContact CE1-CG1 3.87Å; F87-I411 HydrophobicContact CE2-CB 4.05Å; F87-I411 HydrophobicContact CE2-CG1 4.17Å; F87-I411 HydrophobicContact CG-CB 4.16Å; F87-I411 HydrophobicContact CG-CD1 3.66Å; F87-I411 HydrophobicContact CG-CG1 3.51Å; F87-I411 HydrophobicContact CZ-CB 3.73Å; F87-I411 HydrophobicContact CZ-CG1 4.18Å; P407-I411 PolarHBondContact O-N 3.02Å; F408-I411 WeakPolarHBondContact O-CG2 3.48Å; I411-K413 VanDerWaalsContact C-N 3.3Å; I411-K413 PolarHBondContact O-N 3.22Å; I411-Y414 HydrophobicContact CG1-CD1 4.49Å; I411-Y414 WeakPolarHBondContact O-CB 3.1Å; I411-Y414 PolarHBondContact O-N 2.57Å; I411-Y414 VanDerWaalsContact O-N 3.14Å; I411-F415 HydrophobicContact CD1-CE2 3.89Å; I411-F415 HydrophobicContact CG1-CD2 3.9Å; I411-F415 HydrophobicContact CG1-CE2 3.75Å; I411-F415 VanDerWaalsContact O-CD2 3.3Å; I411-F415 WeakPolarHBondContact O-CD2 3.05Å; I411-F415 PolarHBondContact O-N 2.94Å |
| 412 | I | 90.2 | Very high | 88 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.2 | -63.9 | 162.7 | 0 | 0 | 0 | 110 | F269 L272 F276 F408 T410 Y414 F415 C416 | F269-I412 HydrophobicContact CD1-CG2 3.49Å; F269-I412 VanDerWaalsContact CD1-CG2 3.49Å; F269-I412 HydrophobicContact CE1-CG2 3.8Å; F269-I412 HydrophobicContact CG-CG2 4.32Å; L272-I412 HydrophobicContact CB-CG1 4.41Å; L272-I412 HydrophobicContact CB-CG2 4.15Å; F276-I412 HydrophobicContact CB-CD1 4.18Å; F276-I412 HydrophobicContact CD2-CD1 4.11Å; F276-I412 HydrophobicContact CD2-CG1 3.6Å; F276-I412 HydrophobicContact CE2-CG1 4.23Å; F276-I412 HydrophobicContact CG-CG1 4.42Å; F408-I412 WeakPolarHBondContact O-CD1 3.36Å; F408-I412 VanDerWaalsContact O-CG1 3.31Å; F408-I412 WeakPolarHBondContact O-CG1 3.5Å; F408-I412 PolarHBondContact O-N 2.86Å; T410-I412 VanDerWaalsContact C-N 3.32Å; T410-I412 PolarHBondContact O-N 2.69Å; I412-Y414 VanDerWaalsContact C-N 3.29Å; I412-Y414 PolarHBondContact O-N 3.47Å; I412-F415 PolarHBondContact O-N 3.29Å; I412-C416 WeakPolarHBondContact O-CB 3.41Å; I412-C416 PolarHBondContact O-N 3.49Å; I412-C416 PolarHBondContact O-SG 3.21Å |
| 413 | K | 89.6 | Confident | 86.5 | Confident | 121 Ų | 121 | 47 Ų | 47 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63 | -36.3 | 175.6 | -65.4 | 174.9 | -178.8 | -179.8 | 0 | 112.4 | F269 S409 T410 I411 C416 S417 | F269-K413 HydrophobicContact CE1-CB 4.36Å; F269-K413 HydrophobicContact CE1-CG 3.66Å; F269-K413 HydrophobicContact CZ-CB 4.19Å; F269-K413 HydrophobicContact CZ-CG 3.78Å; S409-K413 WeakPolarHBondContact O-CG 3.13Å; S409-K413 PolarHBondContact O-N 3.33Å; T410-K413 WeakPolarHBondContact O-CB 3.35Å; T410-K413 PolarHBondContact O-N 3.31Å; T410-K413 VanDerWaalsContact O-N 3.12Å; I411-K413 VanDerWaalsContact C-N 3.3Å; I411-K413 PolarHBondContact O-N 3.22Å; K413-C416 CarbonylContact O-C 3.1Å; K413-S417 PolarHBondContact O-N 2.93Å; K413-S417 VanDerWaalsContact O-N 3.11Å |
| 414 | Y | 92.1 | Very high | 84.7 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.1 | -54.3 | 175.1 | 172.1 | -107 | 0 | 0 | 0 | 110.7 | H83 F87 T410 I411 I412 C416 S417 L420 | H83-Y414 HydrophobicContact CB-CE1 4.05Å; H83-Y414 AromaticContact ND1-CE1 3.87Å; H83-Y414 AromaticContact ND1-CZ 3.75Å; H83-Y414 PolarHBondContact ND1-OH 3.2Å; F87-Y414 HydrophobicContact CB-CD1 4.17Å; F87-Y414 HydrophobicContact CB-CE1 4.2Å; F87-Y414 HydrophobicContact CD2-CD1 4.04Å; F87-Y414 AromaticContact CD2-CG 3.96Å; F87-Y414 HydrophobicContact CD2-CG 3.96Å; F87-Y414 HydrophobicContact CG-CD1 4.48Å; T410-Y414 PolarHBondContact O-N 2.71Å; I411-Y414 HydrophobicContact CG1-CD1 4.49Å; I411-Y414 WeakPolarHBondContact O-CB 3.1Å; I411-Y414 PolarHBondContact O-N 2.57Å; I411-Y414 VanDerWaalsContact O-N 3.14Å; I412-Y414 VanDerWaalsContact C-N 3.29Å; I412-Y414 PolarHBondContact O-N 3.47Å; Y414-C416 PolarHBondContact O-N 3.08Å; Y414-S417 WeakPolarHBondContact O-CB 3.48Å; Y414-S417 PolarHBondContact O-N 3.11Å; Y414-S417 PolarHBondContact O-OG 3.43Å; Y414-L420 HydrophobicContact CD1-CD1 4.09Å; Y414-L420 HydrophobicContact CD2-CD1 4.38Å; Y414-L420 HydrophobicContact CE1-CD1 3.79Å; Y414-L420 HydrophobicContact CE2-CD1 4.08Å; Y414-L420 HydrophobicContact CG-CD1 4.38Å; Y414-L420 VanDerWaalsContact O-CD1 3.29Å; Y414-L420 WeakPolarHBondContact O-CD1 3.17Å |
| 415 | F | 91.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -35.9 | 176.9 | -83.3 | -73.7 | 0 | 0 | 0 | 113.5 | F80 H83 W84 W246 L272 I411 I412 S417 L420 | F80-F415 HydrophobicContact CD2-CD1 4.44Å; F80-F415 AromaticContact CD2-CE1 3.73Å; F80-F415 HydrophobicContact CD2-CE1 3.73Å; F80-F415 AromaticContact CD2-CZ 3.9Å; F80-F415 HydrophobicContact CD2-CZ 3.9Å; F80-F415 AromaticContact CE2-CE1 3.98Å; F80-F415 HydrophobicContact CE2-CE1 3.98Å; F80-F415 HydrophobicContact CE2-CE2 4.24Å; F80-F415 AromaticContact CE2-CZ 3.82Å; F80-F415 HydrophobicContact CE2-CZ 3.82Å; F80-F415 HydrophobicContact CG-CE1 4.38Å; F80-F415 HydrophobicContact CG-CZ 4.41Å; F80-F415 HydrophobicContact CZ-CE2 4.49Å; F80-F415 HydrophobicContact CZ-CZ 4.22Å; H83-F415 HydrophobicContact CB-CD1 4.38Å; H83-F415 HydrophobicContact CB-CE1 3.57Å; H83-F415 HydrophobicContact CB-CZ 3.92Å; W84-F415 HydrophobicContact CB-CZ 4.37Å; W84-F415 HydrophobicContact CE3-CE2 4.23Å; W246-F415 HydrophobicContact CD2-CD1 4.49Å; W246-F415 HydrophobicContact CE3-CD1 4.05Å; W246-F415 AromaticContact CH2-CD1 3.82Å; W246-F415 HydrophobicContact CH2-CD1 3.82Å; W246-F415 HydrophobicContact CZ2-CD1 4.26Å; W246-F415 HydrophobicContact CZ3-CB 4.14Å; W246-F415 AromaticContact CZ3-CD1 3.71Å; W246-F415 HydrophobicContact CZ3-CD1 3.71Å; W246-F415 HydrophobicContact CZ3-CG 4.37Å; L272-F415 HydrophobicContact CD1-CB 3.47Å; L272-F415 VanDerWaalsContact CD1-CB 3.47Å; L272-F415 HydrophobicContact CD1-CD2 4.5Å; L272-F415 HydrophobicContact CD1-CG 4.07Å; I411-F415 HydrophobicContact CD1-CE2 3.89Å; I411-F415 HydrophobicContact CG1-CD2 3.9Å; I411-F415 HydrophobicContact CG1-CE2 3.75Å; I411-F415 VanDerWaalsContact O-CD2 3.3Å; I411-F415 WeakPolarHBondContact O-CD2 3.05Å; I411-F415 PolarHBondContact O-N 2.94Å; I412-F415 PolarHBondContact O-N 3.29Å; F415-S417 VanDerWaalsContact C-N 3.31Å; F415-S417 PolarHBondContact O-N 2.65Å; F415-L420 WeakPolarHBondContact O-CB 3.41Å |
| 416 | C | 91.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 22.7 | 178.4 | -52.1 | 0 | 0 | 0 | 0 | 113.6 | R265 C268 F269 I412 K413 Y414 L421 | R265-C416 VanDerWaalsContact CZ-O 3.31Å; R265-C416 PolarHBondContact NE-O 3.11Å; C268-C416 HydrophobicContact CB-CB 3.86Å; C268-C416 WeakPolarHBondContact CB-SG 3.35Å; C268-C416 WeakPolarHBondContact SG-CA 3.5Å; C268-C416 WeakPolarHBondContact SG-CB 3.45Å; C268-C416 CovalentContact SG-SG 2.04Å; C268-C416 PolarHBondContact SG-SG 2.97Å; F269-C416 HydrophobicContact CD2-CB 3.77Å; F269-C416 HydrophobicContact CE2-CB 3.48Å; F269-C416 VanDerWaalsContact CE2-CB 3.48Å; F269-C416 HydrophobicContact CG-CB 4.43Å; F269-C416 HydrophobicContact CZ-CB 3.96Å; F269-C416 PolarHBondContact N-SG 2.68Å; F269-C416 VanDerWaalsContact N-SG 3.39Å; I412-C416 WeakPolarHBondContact O-CB 3.41Å; I412-C416 PolarHBondContact O-N 3.49Å; I412-C416 PolarHBondContact O-SG 3.21Å; K413-C416 CarbonylContact O-C 3.1Å; Y414-C416 PolarHBondContact O-N 3.08Å; C416-L421 HydrophobicContact CB-CD1 4.17Å |
| 417 | S | 90 | Very high | 78.5 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -76.3 | 156.4 | 172.2 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | K413 Y414 F415 D419 L420 L421 | K413-S417 PolarHBondContact O-N 2.93Å; K413-S417 VanDerWaalsContact O-N 3.11Å; Y414-S417 WeakPolarHBondContact O-CB 3.48Å; Y414-S417 PolarHBondContact O-N 3.11Å; Y414-S417 PolarHBondContact O-OG 3.43Å; F415-S417 VanDerWaalsContact C-N 3.31Å; F415-S417 PolarHBondContact O-N 2.65Å; S417-D419 PolarHBondContact O-N 3.48Å; S417-L420 PolarHBondContact O-N 3.11Å; S417-L420 VanDerWaalsContact O-N 3.11Å; S417-L421 WeakPolarHBondContact O-CG 3.38Å; S417-L421 PolarHBondContact O-N 3.3Å |
| 418 | D | 82.8 | Confident | 76.6 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -31.9 | -174.8 | -56 | -38.3 | 0 | 0 | 0 | 111.7 | R265 L420 L421 V423 | R265-D418 IonicContact NH1-OD1 2.76Å; R265-D418 PolarHBondContact NH1-OD1 3.48Å; R265-D418 IonicContact NH1-OD2 2.74Å; R265-D418 PolarHBondContact NH1-OD2 3.19Å; D418-L420 VanDerWaalsContact C-N 3.31Å; D418-L420 PolarHBondContact O-N 3.31Å; D418-L421 PolarHBondContact O-N 3.29Å; D418-V423 HydrophobicContact CB-CB 4.45Å; D418-V423 HydrophobicContact CB-CG2 4.21Å |
| 419 | D | 80.9 | Confident | 75.1 | Confident | 155 Ų | 155 | 72.1 Ų | 72.1 | 83% | 0.829 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -38.1 | 175.4 | -62.9 | -26.8 | 0 | 0 | 0 | 112 | S417 | S417-D419 PolarHBondContact O-N 3.48Š|
| 420 | L | 83.6 | Confident | 74.4 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -25.7 | -179.1 | -79.2 | 168.5 | 0 | 0 | 0 | 113.7 | H83 R250 Y414 F415 S417 D418 R422 | H83-L420 WeakPolarHBondContact CE1-CD2 3.43Å; H83-L420 VanDerWaalsContact NE2-CD2 3.26Å; H83-L420 WeakPolarHBondContact NE2-CD2 3.5Å; R250-L420 PolarHBondContact NH1-O 2.99Å; Y414-L420 HydrophobicContact CD1-CD1 4.09Å; Y414-L420 HydrophobicContact CD2-CD1 4.38Å; Y414-L420 HydrophobicContact CE1-CD1 3.79Å; Y414-L420 HydrophobicContact CE2-CD1 4.08Å; Y414-L420 HydrophobicContact CG-CD1 4.38Å; Y414-L420 VanDerWaalsContact O-CD1 3.29Å; Y414-L420 WeakPolarHBondContact O-CD1 3.17Å; F415-L420 WeakPolarHBondContact O-CB 3.41Å; S417-L420 PolarHBondContact O-N 3.11Å; S417-L420 VanDerWaalsContact O-N 3.11Å; D418-L420 VanDerWaalsContact C-N 3.31Å; D418-L420 PolarHBondContact O-N 3.31Å; L420-R422 PolarHBondContact O-N 2.95Å |
| 421 | L | 80.8 | Confident | 74 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 6.6 | 178.6 | -68.6 | -176.1 | 0 | 0 | 0 | 114 | I263 R265 C268 C416 S417 D418 V423 | I263-L421 HydrophobicContact CB-CB 4.37Å; I263-L421 HydrophobicContact CB-CD2 4.19Å; I263-L421 HydrophobicContact CD1-CD2 4.31Å; I263-L421 HydrophobicContact CG2-CD2 3.89Å; R265-L421 HydrophobicContact CB-CD1 4.22Å; R265-L421 HydrophobicContact CG-CD1 4.24Å; C268-L421 HydrophobicContact CB-CD1 4.17Å; C268-L421 HydrophobicContact CB-CD2 4.11Å; C416-L421 HydrophobicContact CB-CD1 4.17Å; S417-L421 WeakPolarHBondContact O-CG 3.38Å; S417-L421 PolarHBondContact O-N 3.3Å; D418-L421 PolarHBondContact O-N 3.29Å; L421-V423 HydrophobicContact CB-CG2 4.09Å; L421-V423 PolarHBondContact O-N 3.27Å |
| 422 | R | 66.8 | Low | 73.8 | Confident | 97 Ų | 97 | 81.5 Ų | 81.5 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.2 | -179.9 | -61.1 | -178.4 | 179.8 | 177.1 | -2.6 | 111.9 | Y38 L420 S424 | Y38-R422 PolarHBondContact OH-NH2 3.45Å; L420-R422 PolarHBondContact O-N 2.95Å; R422-S424 PolarHBondContact O-N 3.43Å; R422-S424 VanDerWaalsContact O-N 3.13Å |
| 423 | V | 57.6 | Low | 73.7 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | trans | -67.5 | 110.9 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | L262 D418 L421 K425 | L262-V423 HydrophobicContact CD1-CB 3.88Å; L262-V423 HydrophobicContact CD1-CG1 3.54Å; L262-V423 HydrophobicContact CD1-CG2 3.71Å; D418-V423 HydrophobicContact CB-CB 4.45Å; D418-V423 HydrophobicContact CB-CG2 4.21Å; L421-V423 HydrophobicContact CB-CG2 4.09Å; L421-V423 PolarHBondContact O-N 3.27Å; V423-K425 PolarHBondContact O-N 2.8Å | ||
| 424 | S | 52.6 | Low | 73.6 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | trans | -63.9 | 132.2 | 168.3 | 83 | 0 | 0 | 0 | 0 | 107.9 | R422 E426 | R422-S424 PolarHBondContact O-N 3.43Å; R422-S424 VanDerWaalsContact O-N 3.13Å; S424-E426 PolarHBondContact O-N 2.9Å; S424-E426 PolarHBondContact OG-O 3.49Å | ||
| 425 | K | 52.7 | Low | 73.4 | Confident | 213 Ų | 213 | 73 Ų | 73 | 93% | 0.926 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -73 | -3.5 | 175.4 | -78.9 | -179 | 175.6 | 174.7 | 0 | 112.7 | V423 | V423-K425 PolarHBondContact O-N 2.8Š|
| 426 | E | 46.8 | Very low | 73.1 | Confident | 162 Ų | 162 | 77.5 Ų | 77.5 | 76% | 0.757 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -132.2 | 90.1 | -170.8 | -69 | 179.8 | 171.1 | 0 | 0 | 109.2 | S424 | S424-E426 PolarHBondContact O-N 2.9Å; S424-E426 PolarHBondContact OG-O 3.49Å |
| 427 | N | 48.8 | Very low | 72.8 | Confident | 127 Ų | 127 | 85.8 Ų | 85.8 | 68% | 0.679 | 42% | 0.42 | S | S | * | . | trans | 167.2 | 140 | 134.1 | -90.8 | -17.5 | 0 | 0 | 0 | 110.6 | D429 | N427-D429 PolarHBondContact O-N 3.35Š| ||
| 428 | N | 51 | Low | 72.6 | Confident | 149 Ų | 149 | 88.1 Ų | 88.1 | 80% | 0.797 | 43% | 0.43 | S | S | * | . | trans | -68.1 | 49.1 | 170 | -84.5 | -24.2 | 0 | 0 | 0 | 111.7 | Y430 | N428-Y430 WeakPolarHBondContact O-CE1 3.5Å; N428-Y430 PolarHBondContact O-N 2.99Å | ||
| 429 | D | 57.6 | Low | 72.6 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | trans | -83.2 | 108.4 | 178 | -73.1 | -14.3 | 0 | 0 | 0 | 108.5 | N427 L431 | N427-D429 PolarHBondContact O-N 3.35Å; D429-L431 PolarHBondContact O-N 2.81Å | ||
| 430 | Y | 72.7 | Confident | 72.4 | Confident | 186 Ų | 186 | 80.5 Ų | 80.5 | 73% | 0.729 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -62.1 | -8.3 | -179.5 | -22.4 | -80.4 | 0 | 0 | 0 | 113.1 | N428 P440 I441 | N428-Y430 WeakPolarHBondContact O-CE1 3.5Å; N428-Y430 PolarHBondContact O-N 2.99Å; Y430-P440 VanDerWaalsContact O-CA 3.3Å; Y430-P440 WeakPolarHBondContact O-CA 3.03Å; Y430-I441 PolarHBondContact O-N 3.09Å; Y430-I441 VanDerWaalsContact O-N 3.12Å |
| 431 | L | 82.5 | Confident | 71.7 | Confident | 79 Ų | 79 | 84.4 Ų | 84.4 | 41% | 0.414 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.6 | -172.8 | -63.4 | 170.2 | 0 | 0 | 0 | 110.3 | D429 L438 T439 P440 | D429-L431 PolarHBondContact O-N 2.81Å; L431-L438 HydrophobicContact CB-CB 4.47Å; L431-T439 WeakPolarHBondContact CA-O 3.15Å; L431-P440 HydrophobicContact CD2-CG 4.06Å |
| 432 | C | 86.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 89.4 Ų | 89.4 | 3% | 0.027 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 154.9 | 172.7 | 62.6 | 0 | 0 | 0 | 0 | 111 | L262 C264 L438 T439 I441 | L262-C432 HydrophobicContact CB-CB 4.45Å; L262-C432 HydrophobicContact CD2-CB 4.22Å; L262-C432 HydrophobicContact CG-CB 4.23Å; L262-C432 CarbonylContact O-C 3.4Å; L262-C432 WeakPolarHBondContact O-CA 3.06Å; L262-C432 WeakPolarHBondContact O-CB 3.33Å; C264-C432 WeakPolarHBondContact CA-SG 3.43Å; C264-C432 HydrophobicContact CB-CB 3.93Å; C264-C432 WeakPolarHBondContact CB-SG 3.38Å; C264-C432 VanDerWaalsContact SG-CA 3.59Å; C264-C432 WeakPolarHBondContact SG-CB 3.16Å; C264-C432 PolarHBondContact SG-O 3.48Å; C264-C432 CovalentContact SG-SG 2.02Å; C264-C432 PolarHBondContact SG-SG 3.15Å; C432-L438 CarbonylContact O-C 3.43Å; C432-L438 WeakPolarHBondContact O-CA 3.32Å; C432-T439 PolarHBondContact N-O 3.48Å; C432-T439 PolarHBondContact O-N 3.06Å; C432-I441 HydrophobicContact CB-CG1 4.3Å |
| 433 | W | 89.3 | Confident | 70.1 | Confident | 3 Ų | 3 | 90.3 Ų | 90.3 | 1% | 0.011 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.8 | 178.2 | -179.4 | -106.5 | 0 | 0 | 0 | 111.5 | K248 L249 C252 N253 P261 L262 C264 G435 D436 L438 | K248-W433 PolarHBondContact O-NE1 3.38Å; L249-W433 PolarHBondContact O-NE1 3.37Å; C252-W433 HydrophobicContact CB-CZ2 4.31Å; N253-W433 HydrophobicContact CB-CD2 3.8Å; N253-W433 HydrophobicContact CB-CE3 4.17Å; N253-W433 HydrophobicContact CB-CG 4.23Å; N253-W433 HydrophobicContact CB-CH2 4.33Å; N253-W433 HydrophobicContact CB-CZ2 3.95Å; N253-W433 HydrophobicContact CB-CZ3 4.42Å; P261-W433 HydrophobicContact CB-CB 3.9Å; P261-W433 HydrophobicContact CG-CB 3.66Å; P261-W433 HydrophobicContact CG-CD2 4.49Å; P261-W433 HydrophobicContact CG-CG 4.03Å; L262-W433 PolarHBondContact O-N 3.17Å; C264-W433 PolarHBondContact N-O 2.9Å; C264-W433 VanDerWaalsContact SG-C 3.57Å; C264-W433 PolarHBondContact SG-O 3.42Å; W433-G435 WeakPolarHBondContact CZ2-O 3.22Å; W433-D436 VanDerWaalsContact CH2-C 3.41Å; W433-D436 WeakPolarHBondContact CH2-O 3.37Å; W433-L438 HydrophobicContact CB-CD2 4.21Å; W433-L438 HydrophobicContact CE3-CD2 4.23Å; W433-L438 HydrophobicContact CE3-CG 4.22Å |
| 434 | T | 87.4 | Confident | 69.9 | Low | 12 Ų | 12 | 92.3 Ų | 92.3 | 7% | 0.074 | 47% | 0.469 | C | S | . | . | trans | -92.3 | -7.3 | -179.2 | 55 | 0 | 0 | 0 | 0 | 114.4 | C264 S267 R271 R437 T439 | C264-T434 HydrophobicContact CB-CG2 4.38Å; C264-T434 VanDerWaalsContact SG-CG2 3.56Å; S267-T434 PolarHBondContact OG-O 2.93Å; R271-T434 PolarHBondContact NE-O 3.43Å; R271-T434 PolarHBondContact NH2-O 2.79Å; T434-R437 PolarHBondContact N-O 3.21Å; T434-R437 PolarHBondContact OG1-N 3.13Å; T434-R437 PolarHBondContact OG1-O 3.46Å; T434-T439 HydrophobicContact CG2-CG2 3.72Å; T434-T439 WeakPolarHBondContact CG2-OG1 3Å | ||
| 435 | G | 87.3 | Confident | 69.7 | Low | 1 Ų | 1 | 94.9 Ų | 94.9 | 1% | 0.01 | 48% | 0.481 | C | S | . | . | S | Bend | trans | 112.3 | -29 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K248 W433 | K248-G435 WeakPolarHBondContact O-CA 3.28Å; W433-G435 WeakPolarHBondContact CZ2-O 3.22Å |
| 436 | D | 85.6 | Confident | 69.6 | Low | 95 Ų | 95 | 87.8 Ų | 87.8 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -125.2 | -28.2 | -178.5 | -47.8 | -36.1 | 0 | 0 | 0 | 112.3 | R271 W433 | R271-D436 IonicContact CZ-OD2 3.43Å; R271-D436 IonicContact NH1-OD1 2.8Å; R271-D436 IonicContact NH1-OD2 3.4Å; R271-D436 VanDerWaalsContact NH2-CG 3.25Å; R271-D436 IonicContact NH2-OD1 3.83Å; R271-D436 PolarHBondContact NH2-OD1 2.03Å; R271-D436 IonicContact NH2-OD2 3.45Å; R271-D436 PolarHBondContact NH2-OD2 3Å; W433-D436 VanDerWaalsContact CH2-C 3.41Å; W433-D436 WeakPolarHBondContact CH2-O 3.37Å |
| 437 | R | 86.3 | Confident | 69.5 | Low | 175 Ų | 175 | 87.1 Ų | 87.1 | 66% | 0.66 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -156.4 | 162.1 | -177.7 | 62.2 | -179.7 | -178.6 | -173.1 | -0.4 | 112.7 | T434 T439 | T434-R437 PolarHBondContact N-O 3.21Å; T434-R437 PolarHBondContact OG1-N 3.13Å; T434-R437 PolarHBondContact OG1-O 3.46Å; R437-T439 HydrophobicContact CG-CG2 3.83Å |
| 438 | L | 85.2 | Confident | 69.3 | Low | 72 Ų | 72 | 87 Ų | 87 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130 | 166.3 | -69 | 172 | 0 | 0 | 0 | 110.3 | V258 P261 L431 C432 W433 | V258-L438 HydrophobicContact CG1-CD1 4.11Å; V258-L438 HydrophobicContact CG1-CD2 4.36Å; V258-L438 HydrophobicContact CG1-CG 4.46Å; V258-L438 HydrophobicContact CG2-CD1 4.26Å; P261-L438 HydrophobicContact CB-CD2 3.9Å; L431-L438 HydrophobicContact CB-CB 4.47Å; C432-L438 CarbonylContact O-C 3.43Å; C432-L438 WeakPolarHBondContact O-CA 3.32Å; W433-L438 HydrophobicContact CB-CD2 4.21Å; W433-L438 HydrophobicContact CE3-CD2 4.23Å; W433-L438 HydrophobicContact CE3-CG 4.22Å |
| 439 | T | 82.3 | Confident | 69.2 | Low | 14 Ų | 14 | 85.7 Ų | 85.7 | 9% | 0.086 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.6 | 178 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | L431 C432 T434 R437 | L431-T439 WeakPolarHBondContact CA-O 3.15Å; C432-T439 PolarHBondContact N-O 3.48Å; C432-T439 PolarHBondContact O-N 3.06Å; T434-T439 HydrophobicContact CG2-CG2 3.72Å; T434-T439 WeakPolarHBondContact CG2-OG1 3Å; R437-T439 HydrophobicContact CG-CG2 3.83Å |
| 440 | P | 77.3 | Confident | 68.8 | Low | 67 Ų | 67 | 89.4 Ų | 89.4 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140 | 170.8 | -20.4 | 31.8 | 0 | 0 | 0 | 112.2 | Y430 L431 S442 | Y430-P440 VanDerWaalsContact O-CA 3.3Å; Y430-P440 WeakPolarHBondContact O-CA 3.03Å; L431-P440 HydrophobicContact CD2-CG 4.06Å; P440-S442 PolarHBondContact O-N 3.48Å; P440-S442 VanDerWaalsContact O-N 3.15Å |
| 441 | I | 67.7 | Low | 67.8 | Low | 97 Ų | 97 | 83.7 Ų | 83.7 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.2 | -176.4 | -64.5 | 164.4 | 0 | 0 | 0 | 113.1 | L262 Y430 C432 N443 | L262-I441 HydrophobicContact CD2-CD1 4.47Å; Y430-I441 PolarHBondContact O-N 3.09Å; Y430-I441 VanDerWaalsContact O-N 3.12Å; C432-I441 HydrophobicContact CB-CG1 4.3Å; I441-N443 PolarHBondContact O-N 3.2Å |
| 442 | S | 61.4 | Low | 66.6 | Low | 105 Ų | 105 | 85.4 Ų | 85.4 | 73% | 0.734 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.3 | -167.2 | 52.6 | 0 | 0 | 0 | 0 | 116.7 | P440 | P440-S442 PolarHBondContact O-N 3.48Å; P440-S442 VanDerWaalsContact O-N 3.15Å |
| 443 | N | 53.3 | Low | 65.2 | Low | 116 Ų | 116 | 88.6 Ų | 88.6 | 62% | 0.62 | 47% | 0.473 | S | S | * | . | trans | -116.2 | 121.8 | 176 | -71.4 | -23.7 | 0 | 0 | 0 | 107.4 | I441 | I441-N443 PolarHBondContact O-N 3.2Š| ||
| 444 | I | 52.9 | Low | 63.7 | Low | 94 Ų | 94 | 91.8 Ų | 91.8 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | trans | 168.1 | 129.3 | 138.6 | -80.3 | 141.5 | 0 | 0 | 0 | 111.6 | H266 | H266-I444 WeakPolarHBondContact CE1-CD1 3.4Å; H266-I444 WeakPolarHBondContact ND1-CG2 3.41Å; H266-I444 WeakPolarHBondContact NE2-CD1 3.37Å | ||
| 445 | T | 49.2 | Very low | 62.4 | Low | 125 Ų | 125 | 91.7 Ų | 91.7 | 77% | 0.767 | 49% | 0.486 | S | S | * | . | trans | -95.8 | 143.1 | 171.1 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 446 | V | 49.9 | Very low | 61.1 | Low | 65 Ų | 65 | 99.6 Ų | 99.6 | 39% | 0.394 | 52% | 0.52 | S | S | . | . | trans | -105.7 | 119.3 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 109 | L448 | V446-L448 HydrophobicContact CG1-CG 4.28Š| ||
| 447 | N | 45 | Very low | 60 | Low | 147 Ų | 147 | 101.3 Ų | 101.3 | 79% | 0.786 | 53% | 0.528 | S | S | * | . | trans | -100.8 | 110.8 | 166 | -74.4 | -14.3 | 0 | 0 | 0 | 108.4 | ||||
| 448 | L | 45.5 | Very low | 59.2 | Low | 126 Ų | 126 | 93.3 Ų | 93.3 | 66% | 0.66 | 50% | 0.498 | S | S | * | . | trans | -82.2 | 115.5 | 168.3 | -74 | 156.7 | 0 | 0 | 0 | 107.7 | V446 | V446-L448 HydrophobicContact CG1-CG 4.28Š| ||
| 449 | I | 48.5 | Very low | 58.8 | Low | 121 Ų | 121 | 93.7 Ų | 93.7 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | trans | -84.3 | 144.5 | 164.3 | -59.7 | 172.3 | 0 | 0 | 0 | 105.9 | L277 | L277-I449 VanDerWaalsContact CD1-C 3.43Å; L277-I449 HydrophobicContact CD1-CB 4.18Å; L277-I449 HydrophobicContact CD1-CG2 4.31Å; L277-I449 WeakPolarHBondContact CD1-O 3.03Å; L277-I449 HydrophobicContact CD2-CG2 4.36Å | ||
| 450 | E | 48.2 | Very low | 58.4 | Low | 174 Ų | 174 | 95.4 Ų | 95.4 | 81% | 0.813 | 51% | 0.512 | S | S | * | . | trans | -112 | 128.5 | 166 | -68.7 | -178.2 | 169.7 | 0 | 0 | 106.7 | ||||
| 451 | N | 51.9 | Low | 58.5 | Low | 66 Ų | 66 | 92.4 Ų | 92.4 | 35% | 0.353 | 49% | 0.493 | S | S | . | . | trans | -134 | 105.8 | 177.6 | -165.3 | -4.5 | 0 | 0 | 0 | 110.7 | L277 S453 | L277-N451 HydrophobicContact CD1-CB 4.25Å; L277-N451 HydrophobicContact CD2-CB 4.09Å; L277-N451 HydrophobicContact CG-CB 4.06Å; N451-S453 VanDerWaalsContact C-N 3.32Å; N451-S453 PolarHBondContact O-N 3.3Å; N451-S453 PolarHBondContact OD1-N 3.18Å; N451-S453 PolarHBondContact OD1-OG 3.4Å | ||
| 452 | E | 58 | Low | 59.1 | Low | 114 Ų | 114 | 90 Ų | 90 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | trans | -78.2 | -11.5 | -176.6 | -67 | -170.1 | 151.3 | 0 | 0 | 114 | A281 F454 | A281-E452 HydrophobicContact CB-CG 4.24Å; E452-F454 VanDerWaalsContact C-N 3.33Å; E452-F454 PolarHBondContact O-N 3.49Å | ||
| 453 | S | 57.9 | Low | 60.2 | Low | 72 Ų | 72 | 93.5 Ų | 93.5 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.3 | -163.8 | 56.6 | 0 | 0 | 0 | 0 | 115.5 | N451 | N451-S453 VanDerWaalsContact C-N 3.32Å; N451-S453 PolarHBondContact O-N 3.3Å; N451-S453 PolarHBondContact OD1-N 3.18Å; N451-S453 PolarHBondContact OD1-OG 3.4Å |
| 454 | F | 57 | Low | 61.7 | Low | 70 Ų | 70 | 88.5 Ų | 88.5 | 31% | 0.307 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -30.9 | -173.7 | -170.4 | -96.5 | 0 | 0 | 0 | 115 | L278 E452 K456 I457 | L278-F454 HydrophobicContact CB-CB 3.9Å; L278-F454 HydrophobicContact CB-CD1 3.72Å; L278-F454 HydrophobicContact CB-CE1 4.46Å; L278-F454 HydrophobicContact CB-CG 3.96Å; L278-F454 HydrophobicContact CD1-CB 4.07Å; L278-F454 HydrophobicContact CD1-CD1 3.72Å; L278-F454 HydrophobicContact CD1-CD2 3.7Å; L278-F454 HydrophobicContact CD1-CE1 3.97Å; L278-F454 HydrophobicContact CD1-CE2 3.96Å; L278-F454 HydrophobicContact CD1-CG 3.57Å; L278-F454 HydrophobicContact CD1-CZ 4.08Å; L278-F454 HydrophobicContact CD2-CB 3.27Å; L278-F454 HydrophobicContact CD2-CD1 4.45Å; L278-F454 HydrophobicContact CD2-CD2 4.26Å; L278-F454 HydrophobicContact CD2-CG 3.8Å; L278-F454 HydrophobicContact CG-CB 3.88Å; L278-F454 HydrophobicContact CG-CD1 4.12Å; L278-F454 HydrophobicContact CG-CD2 4.44Å; L278-F454 HydrophobicContact CG-CG 3.93Å; E452-F454 VanDerWaalsContact C-N 3.33Å; E452-F454 PolarHBondContact O-N 3.49Å; F454-K456 PolarHBondContact O-N 3.24Å; F454-K456 VanDerWaalsContact O-N 3.11Å; F454-I457 PolarHBondContact O-N 3.37Å |
| 455 | L | 59.5 | Low | 63.3 | Low | 10 Ų | 10 | 84.4 Ų | 84.4 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.2 | -177.7 | -72.6 | 173.3 | 0 | 0 | 0 | 112.8 | L278 W279 A281 F282 I457 A461 V462 I465 | L278-L455 WeakPolarHBondContact O-CD2 3.03Å; L278-L455 WeakPolarHBondContact O-CG 3.26Å; W279-L455 HydrophobicContact CE3-CD2 4.4Å; A281-L455 VanDerWaalsContact C-CD1 3.44Å; A281-L455 HydrophobicContact CB-CD1 3.36Å; A281-L455 HydrophobicContact CB-CG 4.33Å; F282-L455 HydrophobicContact CB-CD1 4.38Å; L455-I457 VanDerWaalsContact C-N 3.28Å; L455-I457 PolarHBondContact O-N 3.49Å; L455-A461 HydrophobicContact CD2-CB 3.97Å; L455-V462 VanDerWaalsContact O-CG2 3.3Å; L455-V462 WeakPolarHBondContact O-CG2 3.33Å; L455-I465 HydrophobicContact CB-CD1 4.11Å; L455-I465 HydrophobicContact CD1-CD1 4.16Å; L455-I465 HydrophobicContact CD2-CD1 4.35Å; L455-I465 HydrophobicContact CG-CD1 4.45Å |
| 456 | K | 60.8 | Low | 65.2 | Low | 167 Ų | 167 | 82.5 Ų | 82.5 | 73% | 0.726 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.2 | 177.8 | -65.5 | -177.5 | -179.7 | 176.4 | 0 | 113.5 | F454 | F454-K456 PolarHBondContact O-N 3.24Å; F454-K456 VanDerWaalsContact O-N 3.11Å |
| 457 | I | 62 | Low | 67 | Low | 131 Ų | 131 | 82.8 Ų | 82.8 | 67% | 0.672 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -31 | -174.7 | -58.6 | 169 | 0 | 0 | 0 | 111 | F454 L455 P459 | F454-I457 PolarHBondContact O-N 3.37Å; L455-I457 VanDerWaalsContact C-N 3.28Å; L455-I457 PolarHBondContact O-N 3.49Å; I457-P459 VanDerWaalsContact O-CD 3.28Å; I457-P459 WeakPolarHBondContact O-CD 3.28Å |
| 458 | N | 70.6 | Confident | 69.2 | Low | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.032 | 38% | 0.379 | C | S | . | . | trans | -78.9 | 110.6 | -179.7 | -178.2 | -25.3 | 0 | 0 | 0 | 110.7 | M460 A461 V462 F505 | N458-M460 PolarHBondContact O-N 2.83Å; N458-M460 WeakPolarHBondContact OD1-CB 3.48Å; N458-M460 PolarHBondContact OD1-N 3.07Å; N458-A461 HydrophobicContact CB-CB 3.83Å; N458-A461 PolarHBondContact O-N 3.41Å; N458-A461 VanDerWaalsContact O-N 3.13Å; N458-A461 PolarHBondContact OD1-N 2.94Å; N458-V462 WeakPolarHBondContact O-CG2 3.49Å; N458-V462 PolarHBondContact O-N 2.78Å; N458-F505 WeakPolarHBondContact ND2-CZ 3.38Å | ||
| 459 | P | 75.5 | Confident | 71.5 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.5 | -28 | -174 | 27 | -35.2 | 0 | 0 | 0 | 112.9 | I457 R463 | I457-P459 VanDerWaalsContact O-CD 3.28Å; I457-P459 WeakPolarHBondContact O-CD 3.28Å; P459-R463 WeakPolarHBondContact O-CG 3.49Å; P459-R463 PolarHBondContact O-N 3.46Å |
| 460 | M | 75.2 | Confident | 73.5 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.1 | -45.7 | 175.6 | -170.6 | -171.5 | -131.5 | 0 | 0 | 110.7 | V232 I236 N458 V462 R463 V464 I499 | V232-M460 HydrophobicContact CB-CE 4.32Å; V232-M460 HydrophobicContact CG1-CE 3.33Å; V232-M460 HydrophobicContact CG1-CG 3.96Å; V232-M460 HydrophobicContact CG1-SD 3.58Å; V232-M460 VanDerWaalsContact CG1-SD 3.58Å; V232-M460 HydrophobicContact CG2-CE 4.35Å; I236-M460 HydrophobicContact CD1-SD 3.62Å; I236-M460 HydrophobicContact CG1-SD 3.54Å; I236-M460 VanDerWaalsContact CG1-SD 3.54Å; N458-M460 PolarHBondContact O-N 2.83Å; N458-M460 WeakPolarHBondContact OD1-CB 3.48Å; N458-M460 PolarHBondContact OD1-N 3.07Å; M460-V462 VanDerWaalsContact C-N 3.33Å; M460-V462 PolarHBondContact O-N 3.34Å; M460-R463 PolarHBondContact O-N 3.25Å; M460-V464 WeakPolarHBondContact O-CG2 3.2Å; M460-V464 PolarHBondContact O-N 2.92Å; M460-I499 HydrophobicContact CE-CG2 4.22Å |
| 461 | A | 77.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W279 L455 N458 R463 V464 I465 | W279-A461 HydrophobicContact CZ3-CB 4.39Å; L455-A461 HydrophobicContact CD2-CB 3.97Å; N458-A461 HydrophobicContact CB-CB 3.83Å; N458-A461 PolarHBondContact O-N 3.41Å; N458-A461 VanDerWaalsContact O-N 3.13Å; N458-A461 PolarHBondContact OD1-N 2.94Å; A461-R463 PolarHBondContact O-N 3.02Å; A461-V464 PolarHBondContact O-N 2.04Å; A461-I465 WeakPolarHBondContact O-CB 3.34Å; A461-I465 WeakPolarHBondContact O-CD1 3.5Å; A461-I465 WeakPolarHBondContact O-CG1 3.3Å; A461-I465 PolarHBondContact O-N 2.02Å |
| 462 | V | 81.5 | Confident | 77.5 | Confident | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L455 N458 M460 I465 N466 | L455-V462 VanDerWaalsContact O-CG2 3.3Å; L455-V462 WeakPolarHBondContact O-CG2 3.33Å; N458-V462 WeakPolarHBondContact O-CG2 3.49Å; N458-V462 PolarHBondContact O-N 2.78Å; M460-V462 VanDerWaalsContact C-N 3.33Å; M460-V462 PolarHBondContact O-N 3.34Å; V462-I465 PolarHBondContact O-N 3.35Å; V462-N466 WeakPolarHBondContact O-CB 3.41Å; V462-N466 PolarHBondContact O-N 3.12Å; V462-N466 PolarHBondContact O-ND2 3.31Å; V462-N466 PolarHBondContact O-OD1 3.44Å |
| 463 | R | 83.4 | Confident | 79.1 | Confident | 180 Ų | 180 | 62.2 Ų | 62.2 | 68% | 0.679 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.1 | -49.3 | 177.6 | -75.2 | 176.3 | -171.6 | -177 | 3.3 | 112 | P459 M460 A461 I465 N466 D467 | P459-R463 WeakPolarHBondContact O-CG 3.49Å; P459-R463 PolarHBondContact O-N 3.46Å; M460-R463 PolarHBondContact O-N 3.25Å; A461-R463 PolarHBondContact O-N 3.02Å; R463-I465 VanDerWaalsContact C-N 3.33Å; R463-I465 PolarHBondContact O-N 3.37Å; R463-N466 PolarHBondContact O-N 3.31Å; R463-D467 PolarHBondContact O-N 2.97Å |
| 464 | V | 85.6 | Confident | 80.7 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 179 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | V229 V232 F282 M460 A461 D467 L468 | V229-V464 HydrophobicContact CB-CG1 4.13Å; V229-V464 HydrophobicContact CG1-CG1 3.35Å; V229-V464 HydrophobicContact CG2-CG1 3.76Å; V232-V464 HydrophobicContact CG1-CG2 4.03Å; F282-V464 HydrophobicContact CE2-CB 4.45Å; F282-V464 HydrophobicContact CE2-CG1 3.53Å; F282-V464 HydrophobicContact CZ-CG1 3.73Å; M460-V464 WeakPolarHBondContact O-CG2 3.2Å; M460-V464 PolarHBondContact O-N 2.92Å; A461-V464 PolarHBondContact O-N 2.04Å; V464-D467 PolarHBondContact O-N 3.25Å; V464-L468 HydrophobicContact CG1-CD1 4.21Å; V464-L468 HydrophobicContact CG1-CG 4.45Å; V464-L468 WeakPolarHBondContact O-CG 3.18Å; V464-L468 PolarHBondContact O-N 3.01Å |
| 465 | I | 87 | Confident | 82.5 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 178 | -73.1 | 165.4 | 0 | 0 | 0 | 110.4 | F282 Y285 L455 A461 V462 R463 D467 L468 Q469 | F282-I465 HydrophobicContact CD2-CD1 4.38Å; F282-I465 HydrophobicContact CD2-CG1 3.92Å; F282-I465 HydrophobicContact CE2-CG1 4.09Å; Y285-I465 HydrophobicContact CD1-CG2 3.67Å; Y285-I465 HydrophobicContact CD2-CD1 4Å; Y285-I465 HydrophobicContact CD2-CG1 3.87Å; Y285-I465 HydrophobicContact CD2-CG2 4.01Å; Y285-I465 HydrophobicContact CE1-CG2 3.6Å; Y285-I465 HydrophobicContact CE2-CD1 3.89Å; Y285-I465 HydrophobicContact CE2-CG1 4.19Å; Y285-I465 HydrophobicContact CE2-CG2 3.97Å; Y285-I465 HydrophobicContact CG-CG1 4.22Å; Y285-I465 HydrophobicContact CG-CG2 3.86Å; L455-I465 HydrophobicContact CB-CD1 4.11Å; L455-I465 HydrophobicContact CD1-CD1 4.16Å; L455-I465 HydrophobicContact CD2-CD1 4.35Å; L455-I465 HydrophobicContact CG-CD1 4.45Å; A461-I465 WeakPolarHBondContact O-CB 3.34Å; A461-I465 WeakPolarHBondContact O-CD1 3.5Å; A461-I465 WeakPolarHBondContact O-CG1 3.3Å; A461-I465 PolarHBondContact O-N 2.02Å; V462-I465 PolarHBondContact O-N 3.35Å; R463-I465 VanDerWaalsContact C-N 3.33Å; R463-I465 PolarHBondContact O-N 3.37Å; I465-D467 VanDerWaalsContact C-N 3.35Å; I465-D467 PolarHBondContact O-N 3.25Å; I465-L468 PolarHBondContact O-N 2.82Å; I465-Q469 HydrophobicContact CG2-CG 4.34Å; I465-Q469 WeakPolarHBondContact O-CB 3.09Å; I465-Q469 VanDerWaalsContact O-CG 3.3Å; I465-Q469 WeakPolarHBondContact O-CG 3.38Å; I465-Q469 PolarHBondContact O-N 3.07Å |
| 466 | N | 88 | Confident | 84.1 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 177.6 | -69.8 | -15.6 | 0 | 0 | 0 | 111.7 | V462 R463 Q469 Y470 | V462-N466 WeakPolarHBondContact O-CB 3.41Å; V462-N466 PolarHBondContact O-N 3.12Å; V462-N466 PolarHBondContact O-ND2 3.31Å; V462-N466 PolarHBondContact O-OD1 3.44Å; R463-N466 PolarHBondContact O-N 3.31Å; N466-Q469 PolarHBondContact O-N 3.24Å; N466-Y470 VanDerWaalsContact O-CB 3.24Å; N466-Y470 WeakPolarHBondContact O-CB 3.39Å; N466-Y470 PolarHBondContact O-N 3.31Å |
| 467 | D | 87.4 | Confident | 85.6 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 178 | -70.9 | -12.7 | 0 | 0 | 0 | 111.3 | L225 R463 V464 I465 Y470 I471 | L225-D467 HydrophobicContact CD1-CB 4.14Å; L225-D467 HydrophobicContact CD2-CB 4.17Å; L225-D467 WeakPolarHBondContact CD2-O 3.39Å; R463-D467 PolarHBondContact O-N 2.97Å; V464-D467 PolarHBondContact O-N 3.25Å; I465-D467 VanDerWaalsContact C-N 3.35Å; I465-D467 PolarHBondContact O-N 3.25Å; D467-Y470 PolarHBondContact O-N 2.87Å; D467-I471 PolarHBondContact O-N 3.41Å |
| 468 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.5 | -72.5 | 179 | 0 | 0 | 0 | 112.1 | V229 F282 W286 F289 V464 I465 I471 T472 | V229-L468 HydrophobicContact CG1-CD1 4.43Å; V229-L468 HydrophobicContact CG2-CD2 4.15Å; V229-L468 HydrophobicContact CG2-CG 4.36Å; F282-L468 HydrophobicContact CE1-CD1 4.24Å; F282-L468 HydrophobicContact CE2-CD1 3.93Å; F282-L468 HydrophobicContact CZ-CD1 3.48Å; F282-L468 VanDerWaalsContact CZ-CD1 3.48Å; W286-L468 HydrophobicContact CE3-CD1 4.14Å; W286-L468 HydrophobicContact CE3-CD2 4.43Å; F289-L468 HydrophobicContact CB-CD2 4.12Å; F289-L468 HydrophobicContact CD1-CD2 3.91Å; F289-L468 HydrophobicContact CD2-CD2 3.99Å; F289-L468 HydrophobicContact CE1-CD2 4.35Å; F289-L468 HydrophobicContact CE2-CD2 4.41Å; F289-L468 HydrophobicContact CG-CD2 3.73Å; V464-L468 HydrophobicContact CG1-CD1 4.21Å; V464-L468 HydrophobicContact CG1-CG 4.45Å; V464-L468 WeakPolarHBondContact O-CG 3.18Å; V464-L468 PolarHBondContact O-N 3.01Å; I465-L468 PolarHBondContact O-N 2.82Å; L468-I471 WeakPolarHBondContact O-CG2 3.3Å; L468-T472 VanDerWaalsContact O-CB 3.23Å; L468-T472 WeakPolarHBondContact O-CB 3.39Å; L468-T472 PolarHBondContact O-N 2.71Å; L468-T472 PolarHBondContact O-OG1 3.25Å |
| 469 | Q | 92.2 | Very high | 87.8 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 178.1 | -72.1 | -177.9 | -74.2 | 0 | 0 | 111 | Y285 I465 N466 I471 T472 E473 | Y285-Q469 HydrophobicContact CD1-CG 3.76Å; Y285-Q469 HydrophobicContact CE1-CG 4.17Å; I465-Q469 HydrophobicContact CG2-CG 4.34Å; I465-Q469 WeakPolarHBondContact O-CB 3.09Å; I465-Q469 VanDerWaalsContact O-CG 3.3Å; I465-Q469 WeakPolarHBondContact O-CG 3.38Å; I465-Q469 PolarHBondContact O-N 3.07Å; N466-Q469 PolarHBondContact O-N 3.24Å; Q469-I471 PolarHBondContact O-N 2.77Å; Q469-T472 WeakPolarHBondContact O-CB 3.38Å; Q469-T472 PolarHBondContact O-N 3.2Å; Q469-E473 WeakPolarHBondContact O-CG 3.43Å; Q469-E473 PolarHBondContact O-N 3.23Å |
| 470 | Y | 90.6 | Very high | 88.5 | Confident | 117 Ų | 117 | 51.6 Ų | 51.6 | 46% | 0.459 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.5 | -48.4 | 179.3 | 179.4 | -112 | 0 | 0 | 0 | 112 | N466 D467 T472 E473 I474 I488 | N466-Y470 VanDerWaalsContact O-CB 3.24Å; N466-Y470 WeakPolarHBondContact O-CB 3.39Å; N466-Y470 PolarHBondContact O-N 3.31Å; D467-Y470 PolarHBondContact O-N 2.87Å; Y470-T472 VanDerWaalsContact C-N 3.32Å; Y470-T472 PolarHBondContact O-N 2.82Å; Y470-E473 PolarHBondContact O-N 3.25Å; Y470-I474 HydrophobicContact CD1-CD1 3.95Å; Y470-I474 HydrophobicContact CD2-CD1 4.41Å; Y470-I474 HydrophobicContact CE1-CD1 3.45Å; Y470-I474 VanDerWaalsContact CE1-CD1 3.45Å; Y470-I474 HydrophobicContact CE2-CD1 3.97Å; Y470-I474 HydrophobicContact CG-CD1 4.41Å; Y470-I474 VanDerWaalsContact CZ-CD1 3.47Å; Y470-I474 WeakPolarHBondContact O-CG1 3.33Å; Y470-I474 PolarHBondContact O-N 3.13Å; Y470-I474 VanDerWaalsContact O-N 3.13Å; Y470-I488 HydrophobicContact CE1-CG1 4.42Å |
| 471 | I | 91.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69 | -33.5 | 179.6 | -156 | 155.3 | 0 | 0 | 0 | 112.3 | I218 N221 L225 F289 D467 L468 Q469 I474 M475 I488 | I218-I471 HydrophobicContact CD1-CD1 4.47Å; I218-I471 HydrophobicContact CD1-CG1 4.01Å; N221-I471 HydrophobicContact CB-CD1 4.42Å; L225-I471 HydrophobicContact CB-CD1 3.98Å; L225-I471 HydrophobicContact CD2-CB 3.77Å; L225-I471 HydrophobicContact CD2-CD1 3.73Å; L225-I471 HydrophobicContact CD2-CG1 4.38Å; L225-I471 HydrophobicContact CD2-CG2 3.54Å; F289-I471 HydrophobicContact CD2-CG2 3.68Å; F289-I471 HydrophobicContact CE2-CG2 3.81Å; D467-I471 PolarHBondContact O-N 3.41Å; L468-I471 WeakPolarHBondContact O-CG2 3.3Å; Q469-I471 PolarHBondContact O-N 2.77Å; I471-I474 PolarHBondContact O-N 2.84Å; I471-M475 HydrophobicContact CD1-CE 4.5Å; I471-M475 HydrophobicContact CG1-CE 4.07Å; I471-M475 VanDerWaalsContact O-CG 3.32Å; I471-M475 WeakPolarHBondContact O-CG 3.2Å; I471-M475 PolarHBondContact O-N 3.15Å; I471-I488 HydrophobicContact CD1-CD1 4.16Å; I471-I488 HydrophobicContact CG1-CD1 4.17Å |
| 472 | T | 93.7 | Very high | 89.3 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.3 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | F289 Q292 L468 Q469 Y470 I474 M475 Q476 | F289-T472 WeakPolarHBondContact CA-OG1 3.43Å; Q292-T472 HydrophobicContact CG-CG2 3.51Å; L468-T472 VanDerWaalsContact O-CB 3.23Å; L468-T472 WeakPolarHBondContact O-CB 3.39Å; L468-T472 PolarHBondContact O-N 2.71Å; L468-T472 PolarHBondContact O-OG1 3.25Å; Q469-T472 WeakPolarHBondContact O-CB 3.38Å; Q469-T472 PolarHBondContact O-N 3.2Å; Y470-T472 VanDerWaalsContact C-N 3.32Å; Y470-T472 PolarHBondContact O-N 2.82Å; T472-I474 VanDerWaalsContact C-N 3.35Å; T472-M475 PolarHBondContact O-N 3.27Å; T472-Q476 VanDerWaalsContact O-CG 3.31Å; T472-Q476 WeakPolarHBondContact O-CG 3.36Å; T472-Q476 PolarHBondContact O-N 3.36Å |
| 473 | E | 92.5 | Very high | 89.5 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 175.2 | -72.4 | 172.5 | -172.1 | 0 | 0 | 111.6 | Q469 Y470 Q476 S477 | Q469-E473 WeakPolarHBondContact O-CG 3.43Å; Q469-E473 PolarHBondContact O-N 3.23Å; Y470-E473 PolarHBondContact O-N 3.25Å; E473-Q476 PolarHBondContact O-N 3.31Å; E473-S477 WeakPolarHBondContact O-CB 3.5Å; E473-S477 PolarHBondContact O-N 3.4Å |
| 474 | I | 91.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 176.5 | -64.9 | 172.6 | 0 | 0 | 0 | 111 | I218 Y470 I471 T472 Q476 S477 V478 P485 I488 | I218-I474 HydrophobicContact CD1-CB 4.15Å; I218-I474 HydrophobicContact CD1-CG2 3.48Å; I218-I474 VanDerWaalsContact CD1-CG2 3.48Å; I218-I474 HydrophobicContact CG1-CG2 3.91Å; Y470-I474 HydrophobicContact CD1-CD1 3.95Å; Y470-I474 HydrophobicContact CD2-CD1 4.41Å; Y470-I474 HydrophobicContact CE1-CD1 3.45Å; Y470-I474 VanDerWaalsContact CE1-CD1 3.45Å; Y470-I474 HydrophobicContact CE2-CD1 3.97Å; Y470-I474 HydrophobicContact CG-CD1 4.41Å; Y470-I474 VanDerWaalsContact CZ-CD1 3.47Å; Y470-I474 WeakPolarHBondContact O-CG1 3.33Å; Y470-I474 PolarHBondContact O-N 3.13Å; Y470-I474 VanDerWaalsContact O-N 3.13Å; I471-I474 PolarHBondContact O-N 2.84Å; T472-I474 VanDerWaalsContact C-N 3.35Å; I474-Q476 VanDerWaalsContact C-N 3.29Å; I474-Q476 PolarHBondContact O-N 3.26Å; I474-S477 WeakPolarHBondContact O-CB 3.1Å; I474-S477 PolarHBondContact O-N 2.9Å; I474-S477 VanDerWaalsContact O-N 3.16Å; I474-V478 HydrophobicContact CG2-CG2 4.28Å; I474-V478 VanDerWaalsContact O-CG2 3.31Å; I474-V478 WeakPolarHBondContact O-CG2 3.38Å; I474-V478 PolarHBondContact O-N 3.12Å; I474-P485 HydrophobicContact CG2-CB 3.52Å; I474-I488 HydrophobicContact CD1-CD1 3.66Å; I474-I488 HydrophobicContact CD1-CG1 4.21Å |
| 475 | M | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 176.2 | -73.8 | 173.7 | 179.4 | 0 | 0 | 111.9 | I218 F289 Q292 I293 V296 I471 T472 V478 I479 | I218-M475 HydrophobicContact CG1-CB 4.47Å; I218-M475 HydrophobicContact CG1-CE 4.48Å; I218-M475 HydrophobicContact CG1-CG 3.56Å; I218-M475 HydrophobicContact CG2-CG 4.19Å; I218-M475 WeakPolarHBondContact O-CE 3.46Å; F289-M475 HydrophobicContact CE2-CE 4.14Å; Q292-M475 HydrophobicContact CB-CB 3.88Å; Q292-M475 HydrophobicContact CB-CG 4.39Å; Q292-M475 HydrophobicContact CB-SD 3.57Å; Q292-M475 VanDerWaalsContact CB-SD 3.57Å; Q292-M475 HydrophobicContact CG-CB 4.36Å; I293-M475 HydrophobicContact CD1-CE 3.45Å; I293-M475 VanDerWaalsContact CD1-CE 3.45Å; I293-M475 HydrophobicContact CD1-SD 4.25Å; I293-M475 HydrophobicContact CG1-CE 4.28Å; V296-M475 HydrophobicContact CG2-CB 3.95Å; V296-M475 HydrophobicContact CG2-CG 4.04Å; V296-M475 HydrophobicContact CG2-SD 4.45Å; I471-M475 HydrophobicContact CD1-CE 4.5Å; I471-M475 HydrophobicContact CG1-CE 4.07Å; I471-M475 VanDerWaalsContact O-CG 3.32Å; I471-M475 WeakPolarHBondContact O-CG 3.2Å; I471-M475 PolarHBondContact O-N 3.15Å; T472-M475 PolarHBondContact O-N 3.27Å; M475-V478 PolarHBondContact O-N 3.29Å; M475-I479 WeakPolarHBondContact O-CG1 3.33Å; M475-I479 PolarHBondContact O-N 3.49Å |
| 476 | Q | 93.2 | Very high | 88.4 | Confident | 62 Ų | 62 | 54 Ų | 54 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 175.9 | -73.7 | 174.7 | -0.2 | 0 | 0 | 111.7 | Q292 T472 E473 I474 V478 I479 Q480 | Q292-Q476 HydrophobicContact CG-CG 4.02Å; Q292-Q476 VanDerWaalsContact NE2-NE2 3.16Å; Q292-Q476 VanDerWaalsContact OE1-CG 3.28Å; T472-Q476 VanDerWaalsContact O-CG 3.31Å; T472-Q476 WeakPolarHBondContact O-CG 3.36Å; T472-Q476 PolarHBondContact O-N 3.36Å; E473-Q476 PolarHBondContact O-N 3.31Å; I474-Q476 VanDerWaalsContact C-N 3.29Å; I474-Q476 PolarHBondContact O-N 3.26Å; Q476-V478 VanDerWaalsContact C-N 3.35Å; Q476-V478 PolarHBondContact O-N 2.98Å; Q476-I479 PolarHBondContact O-N 3.27Å; Q476-Q480 WeakPolarHBondContact O-CB 3.32Å; Q476-Q480 WeakPolarHBondContact O-CG 3.47Å; Q476-Q480 PolarHBondContact O-N 2.91Å |
| 477 | S | 91.9 | Very high | 87.1 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | E473 I474 N481 S483 | E473-S477 WeakPolarHBondContact O-CB 3.5Å; E473-S477 PolarHBondContact O-N 3.4Å; I474-S477 WeakPolarHBondContact O-CB 3.1Å; I474-S477 PolarHBondContact O-N 2.9Å; I474-S477 VanDerWaalsContact O-N 3.16Å; S477-N481 WeakPolarHBondContact O-CA 3.22Å; S477-N481 WeakPolarHBondContact O-CB 3.29Å; S477-N481 PolarHBondContact O-N 3.17Å; S477-S483 PolarHBondContact O-OG 2.89Å; S477-S483 WeakPolarHBondContact OG-CB 3.29Å; S477-S483 PolarHBondContact OG-OG 2.98Å |
| 478 | V | 91.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -45 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | P214 P215 I218 I474 M475 Q476 N482 S483 P485 | P214-V478 HydrophobicContact CB-CG1 3.87Å; P215-V478 HydrophobicContact CB-CG1 4.27Å; P215-V478 HydrophobicContact CG-CG1 3.89Å; I218-V478 HydrophobicContact CB-CG2 4.39Å; I218-V478 HydrophobicContact CG2-CB 4.19Å; I218-V478 HydrophobicContact CG2-CG1 4.03Å; I218-V478 HydrophobicContact CG2-CG2 4.14Å; I474-V478 HydrophobicContact CG2-CG2 4.28Å; I474-V478 VanDerWaalsContact O-CG2 3.31Å; I474-V478 WeakPolarHBondContact O-CG2 3.38Å; I474-V478 PolarHBondContact O-N 3.12Å; M475-V478 PolarHBondContact O-N 3.29Å; Q476-V478 VanDerWaalsContact C-N 3.35Å; Q476-V478 PolarHBondContact O-N 2.98Å; V478-N482 VanDerWaalsContact O-CA 3.28Å; V478-N482 WeakPolarHBondContact O-CA 3.32Å; V478-N482 PolarHBondContact O-N 3.48Å; V478-N482 VanDerWaalsContact O-N 3.14Å; V478-S483 WeakPolarHBondContact CG2-O 3.37Å; V478-P485 HydrophobicContact CG2-CB 4.22Å; V478-P485 HydrophobicContact CG2-CG 4.14Å |
| 479 | I | 88.8 | Confident | 83.9 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 179.5 | -68.7 | 162.8 | 0 | 0 | 0 | 111.4 | R295 V296 M475 Q476 | R295-I479 HydrophobicContact CB-CD1 3.76Å; V296-I479 HydrophobicContact CB-CD1 4.37Å; V296-I479 HydrophobicContact CG2-CD1 3.47Å; V296-I479 VanDerWaalsContact CG2-CD1 3.47Å; V296-I479 HydrophobicContact CG2-CG1 3.88Å; M475-I479 WeakPolarHBondContact O-CG1 3.33Å; M475-I479 PolarHBondContact O-N 3.49Å; Q476-I479 PolarHBondContact O-N 3.27Å |
| 480 | Q | 89.4 | Confident | 82.1 | Confident | 138 Ų | 138 | 53.1 Ų | 53.1 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -80.4 | -41.1 | -171.4 | -68.8 | 177.6 | -3.9 | 0 | 0 | 112.6 | Q476 | Q476-Q480 WeakPolarHBondContact O-CB 3.32Å; Q476-Q480 WeakPolarHBondContact O-CG 3.47Å; Q476-Q480 PolarHBondContact O-N 2.91Å |
| 481 | N | 87.8 | Confident | 79.9 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -112.7 | -1.3 | -168.5 | -59.4 | -27.7 | 0 | 0 | 0 | 113.5 | S477 S483 | S477-N481 WeakPolarHBondContact O-CA 3.22Å; S477-N481 WeakPolarHBondContact O-CB 3.29Å; S477-N481 PolarHBondContact O-N 3.17Å; N481-S483 WeakPolarHBondContact CB-OG 3.34Å; N481-S483 PolarHBondContact O-N 3.43Å |
| 482 | N | 83.4 | Confident | 77.4 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | trans | 50.3 | 35 | -166.2 | -54.3 | -71.5 | 0 | 0 | 0 | 112 | V478 | V478-N482 VanDerWaalsContact O-CA 3.28Å; V478-N482 WeakPolarHBondContact O-CA 3.32Å; V478-N482 PolarHBondContact O-N 3.48Å; V478-N482 VanDerWaalsContact O-N 3.14Å | ||
| 483 | S | 84.7 | Confident | 74.7 | Confident | 34 Ų | 34 | 61 Ų | 61 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | trans | -60.9 | 145 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | P214 S477 V478 N481 P485 | P214-S483 WeakPolarHBondContact CB-O 3.17Å; S477-S483 PolarHBondContact O-OG 2.89Å; S477-S483 WeakPolarHBondContact OG-CB 3.29Å; S477-S483 PolarHBondContact OG-OG 2.98Å; V478-S483 WeakPolarHBondContact CG2-O 3.37Å; N481-S483 WeakPolarHBondContact CB-OG 3.34Å; N481-S483 PolarHBondContact O-N 3.43Å; S483-P485 WeakPolarHBondContact O-CD 3.3Å | ||
| 484 | D | 84.7 | Confident | 71.7 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | trans | -85.6 | 114.9 | 167.8 | -172.8 | -25 | 0 | 0 | 0 | 109 | Y146 N153 I154 N486 | Y146-D484 WeakPolarHBondContact CE2-OD1 3.32Å; Y146-D484 WeakPolarHBondContact CE2-OD2 3.3Å; Y146-D484 PolarHBondContact OH-OD1 2.95Å; Y146-D484 PolarHBondContact OH-OD2 3.29Å; N153-D484 WeakPolarHBondContact CA-OD2 3.23Å; N153-D484 PolarHBondContact N-OD2 2.84Å; I154-D484 WeakPolarHBondContact CG2-OD2 3.21Å; I154-D484 PolarHBondContact N-OD2 3.41Å; D484-N486 PolarHBondContact O-N 2.04Å | ||
| 485 | P | 77.9 | Confident | 68.9 | Low | 6 Ų | 6 | 67.2 Ų | 67.2 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 130.4 | 179.1 | 30.7 | -34.8 | 0 | 0 | 0 | 110 | P214 I218 I474 V478 S483 | P214-P485 HydrophobicContact CB-CG 4.48Å; I218-P485 HydrophobicContact CB-CG 4.48Å; I218-P485 HydrophobicContact CD1-CB 4.36Å; I474-P485 HydrophobicContact CG2-CB 3.52Å; V478-P485 HydrophobicContact CG2-CB 4.22Å; V478-P485 HydrophobicContact CG2-CG 4.14Å; S483-P485 WeakPolarHBondContact O-CD 3.3Å |
| 486 | N | 69.8 | Low | 66 | Low | 101 Ų | 101 | 69.9 Ų | 69.9 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 154.6 | 166.7 | -70.7 | -21.3 | 0 | 0 | 0 | 110.4 | D484 I488 | D484-N486 PolarHBondContact O-N 2.04Å; N486-I488 PolarHBondContact O-N 3.24Å; N486-I488 VanDerWaalsContact O-N 3.1Å |
| 487 | Y | 61.9 | Low | 63.1 | Low | 81 Ų | 81 | 73.7 Ų | 73.7 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 123.5 | 174.6 | 175.2 | -131.2 | 0 | 0 | 0 | 109.8 | G149 Q152 P489 | G149-Y487 VanDerWaalsContact CA-CD2 3.44Å; G149-Y487 WeakPolarHBondContact O-CB 3.27Å; G149-Y487 WeakPolarHBondContact O-CD2 3.47Å; G149-Y487 VanDerWaalsContact O-CE2 3.25Å; G149-Y487 WeakPolarHBondContact O-CE2 3.41Å; Q152-Y487 VanDerWaalsContact NE2-N 3.17Å; Y487-P489 HydrophobicContact CD1-CB 4.11Å; Y487-P489 HydrophobicContact CD1-CG 4.05Å; Y487-P489 HydrophobicContact CE1-CB 3.45Å; Y487-P489 VanDerWaalsContact CE1-CB 3.45Å; Y487-P489 HydrophobicContact CE1-CG 3.88Å; Y487-P489 VanDerWaalsContact CZ-CA 3.49Å; Y487-P489 WeakPolarHBondContact O-CD 3.24Å |
| 488 | I | 60.1 | Low | 60.3 | Low | 22 Ų | 22 | 75 Ų | 75 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | trans | -99.5 | 99.4 | 167.4 | -54 | 172.9 | 0 | 0 | 0 | 105.1 | I218 Y470 I471 I474 N486 I490 | I218-I488 HydrophobicContact CD1-CD1 3.65Å; Y470-I488 HydrophobicContact CE1-CG1 4.42Å; I471-I488 HydrophobicContact CD1-CD1 4.16Å; I471-I488 HydrophobicContact CG1-CD1 4.17Å; I474-I488 HydrophobicContact CD1-CD1 3.66Å; I474-I488 HydrophobicContact CD1-CG1 4.21Å; N486-I488 PolarHBondContact O-N 3.24Å; N486-I488 VanDerWaalsContact O-N 3.1Å; I488-I490 PolarHBondContact O-N 3.25Å | ||
| 489 | P | 53 | Low | 57.8 | Low | 70 Ų | 70 | 78 Ų | 78 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | trans | -62.8 | 104 | 172.3 | 13.1 | -15.9 | 0 | 0 | 0 | 108.9 | Y487 E491 | Y487-P489 HydrophobicContact CD1-CB 4.11Å; Y487-P489 HydrophobicContact CD1-CG 4.05Å; Y487-P489 HydrophobicContact CE1-CB 3.45Å; Y487-P489 VanDerWaalsContact CE1-CB 3.45Å; Y487-P489 HydrophobicContact CE1-CG 3.88Å; Y487-P489 VanDerWaalsContact CZ-CA 3.49Å; Y487-P489 WeakPolarHBondContact O-CD 3.24Å; P489-E491 PolarHBondContact O-N 3.27Å | ||
| 490 | I | 52.6 | Low | 55.3 | Low | 36 Ų | 36 | 80.5 Ų | 80.5 | 19% | 0.185 | 42% | 0.421 | C | S | . | . | trans | -80.4 | 84.3 | 160.5 | -55.1 | -177.4 | 0 | 0 | 0 | 104.1 | N221 L224 I488 G492 | N221-I490 HydrophobicContact CB-CD1 3.97Å; N221-I490 VanDerWaalsContact O-CD1 3.25Å; N221-I490 WeakPolarHBondContact O-CD1 3.47Å; L224-I490 HydrophobicContact CB-CD1 3.43Å; L224-I490 VanDerWaalsContact CB-CD1 3.43Å; L224-I490 HydrophobicContact CB-CG2 4.33Å; L224-I490 HydrophobicContact CD1-CD1 3.99Å; L224-I490 HydrophobicContact CG-CD1 4.36Å; I488-I490 PolarHBondContact O-N 3.25Å; I490-G492 PolarHBondContact O-N 2.98Å | ||
| 491 | E | 46.3 | Very low | 52.6 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | trans | -46.7 | 109.9 | 174.8 | -75 | -175.2 | -164 | 0 | 0 | 109.1 | R228 P489 R495 | R228-E491 PolarHBondContact NH2-O 3.19Å; P489-E491 PolarHBondContact O-N 3.27Å; E491-R495 IonicContact OE1-CZ 3.15Å; E491-R495 IonicContact OE1-NE 3.52Å; E491-R495 IonicContact OE1-NH2 2.74Å; E491-R495 PolarHBondContact OE1-NH2 3.02Å; E491-R495 WeakPolarHBondContact OE2-CD 3.36Å; E491-R495 IonicContact OE2-CZ 2.71Å; E491-R495 IonicContact OE2-NE 3.08Å; E491-R495 PolarHBondContact OE2-NE 2.7Å; E491-R495 IonicContact OE2-NH2 3.07Å; E491-R495 PolarHBondContact OE2-NH2 3.36Å; E491-R495 VanDerWaalsContact OE2-NH2 3.07Å | ||
| 492 | G | 37.9 | Very low | 50 | Low | 54 Ų | 54 | 80.1 Ų | 80.1 | 56% | 0.557 | 43% | 0.426 | S | S | * | . | trans | -54.5 | 147.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I490 N494 | I490-G492 PolarHBondContact O-N 2.98Å; G492-N494 PolarHBondContact O-N 3.27Å | ||
| 493 | E | 35.8 | Very low | 47.4 | Very low | 146 Ų | 146 | 84.3 Ų | 84.3 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 13 | -25.8 | 167.9 | -83.1 | 165.3 | 147.3 | 0 | 0 | 122.1 | R495 I496 | E493-R495 PolarHBondContact O-N 2.81Å; E493-I496 PolarHBondContact O-N 3.49Å |
| 494 | N | 31.4 | Very low | 44.7 | Very low | 132 Ų | 132 | 86.8 Ų | 86.8 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.2 | -174.9 | -67.3 | -14.6 | 0 | 0 | 0 | 115.1 | G492 | G492-N494 PolarHBondContact O-N 3.27Š|
| 495 | R | 31.1 | Very low | 42.1 | Very low | 142 Ų | 142 | 89.9 Ų | 89.9 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19 | 170.9 | -89.5 | -161.8 | -161.8 | -174.8 | 13.9 | 113.8 | E491 E493 Q497 S498 I499 | E491-R495 IonicContact OE1-CZ 3.15Å; E491-R495 IonicContact OE1-NE 3.52Å; E491-R495 IonicContact OE1-NH2 2.74Å; E491-R495 PolarHBondContact OE1-NH2 3.02Å; E491-R495 WeakPolarHBondContact OE2-CD 3.36Å; E491-R495 IonicContact OE2-CZ 2.71Å; E491-R495 IonicContact OE2-NE 3.08Å; E491-R495 PolarHBondContact OE2-NE 2.7Å; E491-R495 IonicContact OE2-NH2 3.07Å; E491-R495 PolarHBondContact OE2-NH2 3.36Å; E491-R495 VanDerWaalsContact OE2-NH2 3.07Å; E493-R495 PolarHBondContact O-N 2.81Å; R495-Q497 PolarHBondContact O-N 2.83Å; R495-S498 PolarHBondContact O-N 3.42Å; R495-S498 PolarHBondContact O-OG 3.02Å; R495-I499 PolarHBondContact O-N 3.11Å |
| 496 | I | 33.3 | Very low | 39.6 | Very low | 57 Ų | 57 | 101 Ų | 101 | 29% | 0.292 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -31.9 | -179 | -61.7 | 175.5 | 0 | 0 | 0 | 110.5 | K235 E493 S498 | K235-I496 VanDerWaalsContact NZ-CG2 3.32Å; E493-I496 PolarHBondContact O-N 3.49Å; I496-S498 VanDerWaalsContact C-N 3.33Å; I496-S498 PolarHBondContact O-N 3.46Å |
| 497 | Q | 32.3 | Very low | 37.7 | Very low | 141 Ų | 141 | 100.2 Ų | 100.2 | 66% | 0.659 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.6 | -21 | 175.6 | -65.9 | 180 | -3.9 | 0 | 0 | 113.6 | R495 | R495-Q497 PolarHBondContact O-N 2.83Å |
| 498 | S | 32.8 | Very low | 36 | Very low | 68 Ų | 68 | 103.2 Ų | 103.2 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -84.2 | -17.9 | 178.7 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | R495 I496 | R495-S498 PolarHBondContact O-N 3.42Å; R495-S498 PolarHBondContact O-OG 3.02Å; I496-S498 VanDerWaalsContact C-N 3.33Å; I496-S498 PolarHBondContact O-N 3.46Å |
| 499 | I | 39 | Very low | 34.5 | Very low | 63 Ų | 63 | 107.1 Ų | 107.1 | 32% | 0.323 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -81.7 | -24.2 | 177.7 | -64 | 171.8 | 0 | 0 | 0 | 110.8 | V232 M460 R495 N501 V502 | V232-I499 HydrophobicContact CG2-CD1 4.32Å; M460-I499 HydrophobicContact CE-CG2 4.22Å; R495-I499 PolarHBondContact O-N 3.11Å; I499-N501 PolarHBondContact O-N 2.86Å; I499-V502 PolarHBondContact O-N 3.44Å |
| 500 | D | 36.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 109.2 Ų | 109.2 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -9.2 | -179.5 | -61.9 | -26.3 | 0 | 0 | 0 | 113.2 | K235 | K235-D500 IonicContact NZ-OD1 2.68Å; K235-D500 PolarHBondContact NZ-OD1 3.33Å; K235-D500 IonicContact NZ-OD2 3.77Å |
| 501 | N | 33.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 118 Ų | 118 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 9.9 | -179.8 | -73.5 | -16.7 | 0 | 0 | 0 | 115 | I499 | I499-N501 PolarHBondContact O-N 2.86Š|
| 502 | V | 33 | Very low | 31.1 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 58% | 0.576 | 63% | 0.629 | S | S | * | * | trans | -106.8 | 87.1 | -180 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | I499 V504 | I499-V502 PolarHBondContact O-N 3.44Å; V502-V504 VanDerWaalsContact C-N 3.27Å; V502-V504 HydrophobicContact CG1-CB 3.84Å; V502-V504 HydrophobicContact CG1-CG2 3.26Å; V502-V504 PolarHBondContact O-N 2.63Å | ||
| 503 | T | 28.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 88% | 0.877 | 64% | 0.642 | S | S | * | * | trans | -65.8 | 83.4 | 163.7 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 504 | V | 27.9 | Very low | 30 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 53% | 0.527 | 64% | 0.642 | S | S | . | * | trans | -135.2 | 79.6 | 177 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | V502 | V502-V504 VanDerWaalsContact C-N 3.27Å; V502-V504 HydrophobicContact CG1-CB 3.84Å; V502-V504 HydrophobicContact CG1-CG2 3.26Å; V502-V504 PolarHBondContact O-N 2.63Å | ||
| 505 | F | 30.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 47% | 0.474 | 65% | 0.646 | S | S | . | * | trans | -156.9 | 107 | 141.9 | -80.5 | -64.8 | 0 | 0 | 0 | 108 | I236 N458 | I236-F505 HydrophobicContact CG2-CE2 4.5Å; N458-F505 WeakPolarHBondContact ND2-CZ 3.38Å | ||
| 506 | R | 25.3 | Very low | 29.7 | Very low | 240 Ų | 240 | 120.1 Ų | 120.1 | 91% | 0.906 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 130.7 | 159.2 | -118.8 | 179.4 | -173 | 168.6 | 2 | 106.1 | L508 | R506-L508 PolarHBondContact O-N 2.98Š|
| 507 | P | 28.8 | Very low | 29.3 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 129.7 | 173.4 | -9.4 | 22.5 | 0 | 0 | 0 | 108.6 | ||
| 508 | L | 27.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 150.4 | 162.8 | -97.3 | 107.7 | 0 | 0 | 0 | 109.1 | R506 S510 | R506-L508 PolarHBondContact O-N 2.98Å; L508-S510 PolarHBondContact O-N 3.35Å |
| 509 | P | 27.2 | Very low | 28.8 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 138.1 | -178 | -10.3 | 24 | 0 | 0 | 0 | 110 | Y511 | P509-Y511 PolarHBondContact O-N 3.03Å; P509-Y511 VanDerWaalsContact O-N 3.1Å |
| 510 | S | 28.4 | Very low | 28.2 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 116.5 | 167.1 | 38.4 | 0 | 0 | 0 | 0 | 109.2 | L508 S512 | L508-S510 PolarHBondContact O-N 3.35Å; S510-S512 VanDerWaalsContact C-N 3.31Å; S510-S512 PolarHBondContact O-N 3.49Å |
| 511 | Y | 26.6 | Very low | 27.9 | Very low | 219 Ų | 219 | 129.9 Ų | 129.9 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -65.5 | 96.2 | 167.6 | -93.5 | -89.6 | 0 | 0 | 0 | 108 | P509 T513 | P509-Y511 PolarHBondContact O-N 3.03Å; P509-Y511 VanDerWaalsContact O-N 3.1Å; Y511-T513 PolarHBondContact O-N 2.92Å | ||
| 512 | S | 26.3 | Very low | 27.5 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | -65 | 106 | 158.3 | 53.1 | 0 | 0 | 0 | 0 | 107.7 | S510 T514 | S510-S512 VanDerWaalsContact C-N 3.31Å; S510-S512 PolarHBondContact O-N 3.49Å; S512-T514 VanDerWaalsContact C-N 3.32Å; S512-T514 PolarHBondContact O-N 3.36Å | ||
| 513 | T | 25 | Very low | 27.2 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -67.7 | 90.7 | 168.4 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | Y511 | Y511-T513 PolarHBondContact O-N 2.92Š| ||
| 514 | T | 26.1 | Very low | 27 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -139.7 | 132.6 | 155.6 | 51.7 | 0 | 0 | 0 | 0 | 110 | S512 | S512-T514 VanDerWaalsContact C-N 3.32Å; S512-T514 PolarHBondContact O-N 3.36Å | ||
| 515 | N | 27.9 | Very low | 26.9 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 87.6 | 106.6 | 160.5 | -60.1 | -10.3 | 0 | 0 | 0 | 119.7 | ||||
| 516 | S | 27.1 | Very low | 26.8 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -5.2 | 133.1 | 132.5 | 55.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 517 | G | 25.5 | Very low | 26.8 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 120 | 86 | 154.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 518 | S | 27.6 | Very low | 26.8 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 49.8 | 129.9 | 135.2 | 59.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 519 | N | 27.2 | Very low | 26.7 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 95.8 | 87.4 | 150.4 | -55.7 | -17.4 | 0 | 0 | 0 | 117.4 | ||||
| 520 | L | 25.9 | Very low | 26.7 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | trans | -86.7 | 101.5 | 156.8 | -106 | 109.1 | 0 | 0 | 0 | 109.8 | ||||
| 521 | T | 29.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -69.3 | 126 | 154.4 | 29.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 522 | T | 24.9 | Very low | 26.6 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -59.8 | 137.5 | 166.9 | -1.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 523 | L | 26.2 | Very low | 26.5 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -156.7 | 117.3 | 152.5 | -110.2 | 153.8 | 0 | 0 | 0 | 112.6 | ||||
| 524 | S | 24.7 | Very low | 26.4 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -61.9 | 144 | 166.7 | 50 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 525 | Y | 25.9 | Very low | 26.3 | Very low | 206 Ų | 206 | 144 Ų | 144 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 164.1 | 135.7 | 149.8 | -111 | -133.3 | 0 | 0 | 0 | 106.9 | ||||
| 526 | L | 28.4 | Very low | 26.3 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | cis | -157.6 | 136.2 | 23 | -99.6 | 152.6 | 0 | 0 | 0 | 109.9 | ||||
| 527 | E | 25 | Very low | 26.2 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 130.1 | 151.6 | -70.3 | 171.5 | 130.4 | 0 | 0 | 109.7 | ||||
| 528 | S | 29 | Very low | 26.2 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -124.4 | 118.6 | 151.2 | 60.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 529 | R | 25.5 | Very low | 26.1 | Very low | 227 Ų | 227 | 147.1 Ų | 147.1 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -61.2 | 127.6 | -178.4 | -71.5 | 164.2 | 167.1 | 179.8 | -2.5 | 111 | ||||
| 530 | S | 27.6 | Very low | 26.1 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -124.2 | 93.5 | 142.5 | 61.3 | 0 | 0 | 0 | 0 | 108 | I532 | S530-I532 PolarHBondContact O-N 3.19Å; S530-I532 VanDerWaalsContact O-N 3.11Å | ||
| 531 | K | 24.2 | Very low | 26.1 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -59.1 | 107.2 | 163.9 | -79.7 | 176.9 | 172.4 | -179.5 | 0 | 107.5 | ||||
| 532 | I | 27.9 | Very low | 26 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -128 | 121.6 | 162 | -59.9 | -179.5 | 0 | 0 | 0 | 106.4 | S530 | S530-I532 PolarHBondContact O-N 3.19Å; S530-I532 VanDerWaalsContact O-N 3.11Å | ||
| 533 | H | 25.8 | Very low | 25.9 | Very low | 180 Ų | 180 | 151 Ų | 151 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -47.4 | 135.3 | -173.4 | -78 | -45.4 | 0 | 0 | 0 | 113.4 | P535 | H533-P535 WeakPolarHBondContact O-CD 3.44Š| ||
| 534 | S | 21.7 | Very low | 26 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -47.5 | 117.5 | 159.1 | -19.5 | 0 | 0 | 0 | 0 | 108.7 | S536 | S534-S536 VanDerWaalsContact C-N 3.34Å; S534-S536 PolarHBondContact O-N 2.79Å | ||
| 535 | P | 25.4 | Very low | 26.2 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 104.6 | 159.9 | 25.5 | -17.9 | 0 | 0 | 0 | 105.1 | H533 L537 | H533-P535 WeakPolarHBondContact O-CD 3.44Å; P535-L537 PolarHBondContact O-N 3.33Å | ||
| 536 | S | 26.5 | Very low | 26.4 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -39.1 | 124.9 | 160.5 | 46.7 | 0 | 0 | 0 | 0 | 109.1 | S534 P538 | S534-S536 VanDerWaalsContact C-N 3.34Å; S534-S536 PolarHBondContact O-N 2.79Å; S536-P538 VanDerWaalsContact O-N 3.16Å | ||
| 537 | L | 25.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -38.2 | 120.9 | 166.2 | -158.8 | 81.8 | 0 | 0 | 0 | 107.9 | P535 N539 | P535-L537 PolarHBondContact O-N 3.33Å; L537-N539 PolarHBondContact O-N 2.81Å | ||
| 538 | P | 24.9 | Very low | 27.3 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | trans | -63.3 | 115.7 | 173.6 | 12.3 | -7 | 0 | 0 | 0 | 105.8 | S536 Y540 | S536-P538 VanDerWaalsContact O-N 3.16Å; P538-Y540 HydrophobicContact CB-CD2 4.18Å; P538-Y540 PolarHBondContact O-N 2.81Å | ||
| 539 | N | 25.3 | Very low | 27.8 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | trans | -57.4 | 79.9 | 160.5 | -83.2 | -28.7 | 0 | 0 | 0 | 107 | L537 V541 | L537-N539 PolarHBondContact O-N 2.81Å; N539-V541 PolarHBondContact O-N 2.78Å | ||
| 540 | Y | 27.7 | Very low | 28.3 | Very low | 215 Ų | 215 | 132.6 Ų | 132.6 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -72.4 | 77.5 | 159 | -103.9 | -84.1 | 0 | 0 | 0 | 106.4 | P538 K542 | P538-Y540 HydrophobicContact CB-CD2 4.18Å; P538-Y540 PolarHBondContact O-N 2.81Å; Y540-K542 PolarHBondContact O-N 3.28Å | ||
| 541 | V | 26.3 | Very low | 28.7 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | 21.4 | 93.7 | 144.7 | -173.5 | 0 | 0 | 0 | 0 | 112.9 | N539 K543 | N539-V541 PolarHBondContact O-N 2.78Å; V541-K543 HydrophobicContact CG1-CB 3.69Å; V541-K543 HydrophobicContact CG1-CD 3.63Å; V541-K543 HydrophobicContact CG1-CG 3.34Å; V541-K543 PolarHBondContact O-N 3.46Å | ||
| 542 | K | 26.8 | Very low | 29.2 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 92% | 0.922 | 67% | 0.674 | S | S | * | * | trans | -57.4 | 79 | 145.8 | -76.2 | 179.8 | 175.2 | -179.7 | 0 | 107.5 | Y540 | Y540-K542 PolarHBondContact O-N 3.28Š| ||
| 543 | K | 24.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 70% | 0.704 | 67% | 0.672 | S | S | * | * | trans | -92.3 | 113 | 158.4 | -97.9 | 173.6 | -173.8 | -169.9 | 0 | 105.4 | V541 F545 | V541-K543 HydrophobicContact CG1-CB 3.69Å; V541-K543 HydrophobicContact CG1-CD 3.63Å; V541-K543 HydrophobicContact CG1-CG 3.34Å; V541-K543 PolarHBondContact O-N 3.46Å; K543-F545 PolarHBondContact O-N 2.88Å | ||
| 544 | P | 26.9 | Very low | 29.6 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | trans | -53.5 | 132.2 | 163.9 | 22 | -28 | 0 | 0 | 0 | 107.4 | Q546 | P544-Q546 PolarHBondContact O-N 2.88Å; P544-Q546 VanDerWaalsContact O-N 3.08Å | ||
| 545 | F | 30 | Very low | 29.9 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 44% | 0.443 | 66% | 0.66 | S | S | . | * | trans | -72.9 | 102.9 | 176 | -175.4 | -101.9 | 0 | 0 | 0 | 107.1 | K543 F547 | K543-F545 PolarHBondContact O-N 2.88Å; F545-F547 HydrophobicContact CD1-CD1 4.42Å; F545-F547 HydrophobicContact CD1-CD2 4.34Å; F545-F547 HydrophobicContact CD1-CE1 4.38Å; F545-F547 HydrophobicContact CD1-CE2 4.29Å; F545-F547 HydrophobicContact CD1-CG 4.4Å; F545-F547 HydrophobicContact CD1-CZ 4.31Å; F545-F547 AromaticContact CE1-CD1 3.7Å; F545-F547 HydrophobicContact CE1-CD1 3.7Å; F545-F547 HydrophobicContact CE1-CD2 4.4Å; F545-F547 AromaticContact CE1-CE1 3.69Å; F545-F547 HydrophobicContact CE1-CE1 3.69Å; F545-F547 HydrophobicContact CE1-CE2 4.39Å; F545-F547 HydrophobicContact CE1-CG 4.07Å; F545-F547 HydrophobicContact CE1-CZ 4.04Å; F545-F547 PolarHBondContact O-N 2.96Å | ||
| 546 | Q | 30.2 | Very low | 29.9 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 116.5 | 165.2 | -113.9 | 174.5 | -31.2 | 0 | 0 | 106.6 | P544 D548 | P544-Q546 PolarHBondContact O-N 2.88Å; P544-Q546 VanDerWaalsContact O-N 3.08Å; Q546-D548 PolarHBondContact O-N 3.43Å; Q546-D548 VanDerWaalsContact O-N 3.14Å |
| 547 | F | 37 | Very low | 30 | Very low | 37 Ų | 37 | 136.7 Ų | 136.7 | 16% | 0.162 | 67% | 0.669 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 116.6 | 160.2 | -77.5 | -77.9 | 0 | 0 | 0 | 107 | F135 A138 F545 E549 | F135-F547 AromaticContact CD2-CD1 3.42Å; F135-F547 HydrophobicContact CD2-CD1 3.42Å; F135-F547 VanDerWaalsContact CD2-CD1 3.42Å; F135-F547 AromaticContact CD2-CE1 3.19Å; F135-F547 HydrophobicContact CD2-CE1 3.19Å; F135-F547 HydrophobicContact CD2-CE2 4.42Å; F135-F547 HydrophobicContact CD2-CG 4.15Å; F135-F547 AromaticContact CD2-CZ 3.76Å; F135-F547 HydrophobicContact CD2-CZ 3.76Å; F135-F547 AromaticContact CE2-CD1 3.64Å; F135-F547 HydrophobicContact CE2-CD1 3.64Å; F135-F547 HydrophobicContact CE2-CD2 4Å; F135-F547 AromaticContact CE2-CE1 3.28Å; F135-F547 HydrophobicContact CE2-CE1 3.28Å; F135-F547 AromaticContact CE2-CE2 3.68Å; F135-F547 HydrophobicContact CE2-CE2 3.68Å; F135-F547 AromaticContact CE2-CG 3.99Å; F135-F547 HydrophobicContact CE2-CG 3.99Å; F135-F547 AromaticContact CE2-CZ 3.31Å; F135-F547 HydrophobicContact CE2-CZ 3.31Å; F135-F547 HydrophobicContact CG-CE1 4.33Å; F135-F547 HydrophobicContact CZ-CE1 4.46Å; F135-F547 HydrophobicContact CZ-CZ 4.22Å; A138-F547 HydrophobicContact CB-CE1 4.35Å; F545-F547 HydrophobicContact CD1-CD1 4.42Å; F545-F547 HydrophobicContact CD1-CD2 4.34Å; F545-F547 HydrophobicContact CD1-CE1 4.38Å; F545-F547 HydrophobicContact CD1-CE2 4.29Å; F545-F547 HydrophobicContact CD1-CG 4.4Å; F545-F547 HydrophobicContact CD1-CZ 4.31Å; F545-F547 AromaticContact CE1-CD1 3.7Å; F545-F547 HydrophobicContact CE1-CD1 3.7Å; F545-F547 HydrophobicContact CE1-CD2 4.4Å; F545-F547 AromaticContact CE1-CE1 3.69Å; F545-F547 HydrophobicContact CE1-CE1 3.69Å; F545-F547 HydrophobicContact CE1-CE2 4.39Å; F545-F547 HydrophobicContact CE1-CG 4.07Å; F545-F547 HydrophobicContact CE1-CZ 4.04Å; F545-F547 PolarHBondContact O-N 2.96Å; F547-E549 PolarHBondContact O-N 3.38Å |
| 548 | D | 35 | Very low | 30.1 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 116.9 | 172 | -94.5 | -28.4 | 0 | 0 | 0 | 108.1 | R168 Q546 N550 | R168-D548 PolarHBondContact NH2-O 3.47Å; Q546-D548 PolarHBondContact O-N 3.43Å; Q546-D548 VanDerWaalsContact O-N 3.14Å; D548-N550 VanDerWaalsContact C-N 3.27Å; D548-N550 PolarHBondContact O-N 2.97Å |
| 549 | E | 40.1 | Very low | 30.2 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 44% | 0.435 | 68% | 0.68 | S | S | . | * | trans | -74.6 | -15.7 | -172.6 | -83.3 | 176.6 | 165.8 | 0 | 0 | 111.9 | R171 F547 | R171-E549 PolarHBondContact NH1-O 2.97Å; F547-E549 PolarHBondContact O-N 3.38Å | ||
| 550 | N | 35.1 | Very low | 30.4 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 43% | 0.433 | 69% | 0.686 | S | S | . | * | trans | -131.5 | 60.4 | -160.3 | -75.2 | -11.5 | 0 | 0 | 0 | 116.6 | E179 D548 | E179-N550 PolarHBondContact OE1-ND2 3.13Å; E179-N550 PolarHBondContact OE2-ND2 3.5Å; D548-N550 VanDerWaalsContact C-N 3.27Å; D548-N550 PolarHBondContact O-N 2.97Å | ||
| 551 | H | 35.1 | Very low | 30.4 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | trans | -133.9 | 69.3 | 162.6 | -88.1 | -18.4 | 0 | 0 | 0 | 113.9 | ||||
| 552 | I | 35.4 | Very low | 30.5 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 45% | 0.451 | 70% | 0.698 | S | S | . | * | trans | -92.1 | 96.7 | 152.1 | -55.6 | 178.3 | 0 | 0 | 0 | 107.3 | T554 | I552-T554 HydrophobicContact CG2-CG2 3.85Å; I552-T554 PolarHBondContact O-N 3.34Å; I552-T554 VanDerWaalsContact O-N 3.09Å | ||
| 553 | K | 31.2 | Very low | 30.5 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | trans | -72.9 | 94.8 | 167.9 | -81.6 | -177.3 | 179 | 173.9 | 0 | 108.9 | S555 | K553-S555 PolarHBondContact O-N 3.48Å; K553-S555 VanDerWaalsContact O-N 3.12Å | ||
| 554 | T | 30.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | trans | -78.5 | 87.6 | 170 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | I552 | I552-T554 HydrophobicContact CG2-CG2 3.85Å; I552-T554 PolarHBondContact O-N 3.34Å; I552-T554 VanDerWaalsContact O-N 3.09Å | ||
| 555 | S | 28 | Very low | 31 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | -84.8 | 114.5 | 170.7 | 66.2 | 0 | 0 | 0 | 0 | 111 | K553 F557 | K553-S555 PolarHBondContact O-N 3.48Å; K553-S555 VanDerWaalsContact O-N 3.12Å; S555-F557 PolarHBondContact O-N 2.99Å | ||
| 556 | R | 26 | Very low | 31 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -65.5 | 105.4 | 163.6 | -67.8 | -179.6 | -158.9 | 176.1 | 4.9 | 109.2 | ||||
| 557 | F | 29.4 | Very low | 30.9 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | -145.8 | 121.7 | 154.8 | -89.4 | -74.7 | 0 | 0 | 0 | 111.5 | S555 I559 | S555-F557 PolarHBondContact O-N 2.99Å; F557-I559 PolarHBondContact O-N 3.15Å | ||
| 558 | S | 26 | Very low | 30.4 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -58.8 | 112.6 | 169.2 | 41.5 | 0 | 0 | 0 | 0 | 111.4 | R560 | S558-R560 PolarHBondContact O-N 3.3Š| ||
| 559 | I | 28.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 82% | 0.821 | 75% | 0.75 | S | S | * | * | trans | -83.7 | 109.4 | 172.9 | -63.6 | 174.6 | 0 | 0 | 0 | 109.1 | F557 K561 | F557-I559 PolarHBondContact O-N 3.15Å; I559-K561 PolarHBondContact O-N 3.29Å | ||
| 560 | R | 28.6 | Very low | 29.4 | Very low | 247 Ų | 247 | 159 Ų | 159 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 115 | 158 | -103 | -177.7 | 179.6 | 178.1 | 0.5 | 108.2 | S558 | S558-R560 PolarHBondContact O-N 3.3Š| ||
| 561 | K | 27.8 | Very low | 29 | Very low | 166 Ų | 166 | 164.5 Ų | 164.5 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -47.4 | 131.1 | 168 | -102 | 173.4 | 173.7 | 172.9 | 0 | 111.8 | I559 | I559-K561 PolarHBondContact O-N 3.29Š| ||
| 562 | Q | 28.7 | Very low | 28.8 | Very low | 200 Ų | 200 | 164.2 Ų | 164.2 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -127.3 | 110 | 138.2 | -87.5 | -171.2 | -11.4 | 0 | 0 | 108.6 | ||||
| 563 | M | 26.7 | Very low | 28.7 | Very low | 147 Ų | 147 | 165.4 Ų | 165.4 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 132.7 | 169.8 | -75.8 | 175.8 | 154.1 | 0 | 0 | 109.6 | ||||
| 564 | K | 30.5 | Very low | 28.7 | Very low | 207 Ų | 207 | 163.2 Ų | 163.2 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -127 | 100.6 | 142.9 | -90.1 | -174.5 | 177.3 | 178.2 | 0 | 108.9 | ||||
| 565 | T | 30.7 | Very low | 28.6 | Very low | 118 Ų | 118 | 166.2 Ų | 166.2 | 72% | 0.724 | 82% | 0.819 | S | S | * | * | trans | -13.8 | 124 | 157.7 | 51.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 566 | N | 30.9 | Very low | 28.6 | Very low | 158 Ų | 158 | 168.4 Ų | 168.4 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | -157.4 | 104.3 | 120.5 | -93 | -16.9 | 0 | 0 | 0 | 110.4 | |||||
| 567 | K | 26.4 | Very low | 28.7 | Very low | 201 Ų | 201 | 163.4 Ų | 163.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 18.8 | 110.3 | 156.5 | -68.7 | 175.8 | 173.4 | 178.3 | 0 | 118.8 | ||||
| 568 | V | 27.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 165.7 Ų | 165.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | -143.9 | 123.2 | 121.1 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 569 | T | 28.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 167.8 Ų | 167.8 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -75 | 128.3 | 177.4 | 24.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 570 | Y | 25 | Very low | 28.9 | Very low | 228 Ų | 228 | 165.2 Ų | 165.2 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -76.3 | 138.7 | 169.4 | -69.8 | -95.1 | 0 | 0 | 0 | 110.8 | ||||
| 571 | F | 27.7 | Very low | 28.8 | Very low | 196 Ų | 196 | 158.6 Ų | 158.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -117.9 | 104.6 | 156.3 | -88.3 | -82.2 | 0 | 0 | 0 | 108.4 | ||||
| 572 | N | 29.4 | Very low | 28.9 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 123.2 | 157.7 | -111.8 | -5.8 | 0 | 0 | 0 | 106.5 | ||
| 573 | P | 33.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 147.9 | 169.2 | 25.5 | -21.5 | 0 | 0 | 0 | 110.3 | ||
| 574 | P | 32.4 | Very low | 29 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 142.5 | -172.7 | 31.7 | -33.7 | 0 | 0 | 0 | 112.2 | N576 | P574-N576 PolarHBondContact O-N 3.41Š|
| 575 | H | 27.5 | Very low | 28.9 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.4 | 158.1 | -76.8 | -90.3 | 0 | 0 | 0 | 110.1 | ||
| 576 | N | 28.1 | Very low | 28.7 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | 167.7 | 148.2 | 127.5 | -79.4 | -23.2 | 0 | 0 | 0 | 111.1 | P574 | P574-N576 PolarHBondContact O-N 3.41Š| |||
| 577 | L | 28.3 | Very low | 28.6 | Very low | 133 Ų | 133 | 150 Ų | 150 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | trans | 111 | 119.5 | 160.9 | -75 | 104.8 | 0 | 0 | 0 | 117.2 | ||||
| 578 | W | 29.7 | Very low | 28.5 | Very low | 233 Ų | 233 | 148.2 Ų | 148.2 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 98.4 | 82.5 | 157.1 | -47.3 | 109.8 | 0 | 0 | 0 | 118.4 | ||||
| 579 | L | 24.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -75.7 | 175.9 | 141.1 | -79.1 | 161.3 | 0 | 0 | 0 | 109.5 | ||||
| 580 | P | 32.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -138.7 | -178.4 | -45 | 37.9 | -20.5 | 0 | 0 | 0 | 113.6 | ||||
| 581 | S | 27.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 106.3 | 133.7 | 144.1 | 79.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 582 | V | 30.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 94.2 | 102.7 | 151 | -164.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 583 | N | 29 | Very low | 28 | Very low | 142 Ų | 142 | 151.1 Ų | 151.1 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 42.7 | 142.3 | 131.4 | -67.2 | -19 | 0 | 0 | 0 | 123.5 | ||||
| 584 | I | 28.1 | Very low | 27.6 | Very low | 162 Ų | 162 | 153 Ų | 153 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | 101.8 | 140.1 | 151.3 | -62.7 | 144.2 | 0 | 0 | 0 | 115.5 | ||||
| 585 | P | 28.5 | Very low | 27.2 | Very low | 97 Ų | 97 | 157.4 Ų | 157.4 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | -124.2 | -179.4 | -105.9 | 24.6 | 3.1 | 0 | 0 | 0 | 113.4 | |||||
| 586 | S | 25.3 | Very low | 27.2 | Very low | 109 Ų | 109 | 155.6 Ų | 155.6 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 21.2 | 102.8 | 156.1 | 59 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 587 | F | 29.1 | Very low | 27 | Very low | 186 Ų | 186 | 157 Ų | 157 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -127 | 112.1 | 154.3 | -98.9 | -85.3 | 0 | 0 | 0 | 110.6 | Y589 | F587-Y589 PolarHBondContact O-N 3.44Š| ||
| 588 | N | 24.3 | Very low | 27 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -54 | 127.4 | 158.4 | -92.5 | -29.7 | 0 | 0 | 0 | 109.3 | ||||
| 589 | Y | 27.1 | Very low | 27.3 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 65% | 0.651 | 77% | 0.767 | S | S | * | * | trans | -129.8 | 91.8 | 163.7 | -113.8 | -92.3 | 0 | 0 | 0 | 110.4 | F587 R591 | F587-Y589 PolarHBondContact O-N 3.44Å; Y589-R591 HydrophobicContact CD1-CG 4.14Å; Y589-R591 HydrophobicContact CE1-CG 4.27Å; Y589-R591 PolarHBondContact OH-NH2 3.26Å | ||
| 590 | Q | 23.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -70.4 | 123.8 | 150.2 | -75.7 | -175.5 | -25.6 | 0 | 0 | 108.5 | ||||
| 591 | R | 27.8 | Very low | 27.5 | Very low | 196 Ų | 196 | 151 Ų | 151 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -145.2 | 112.8 | 148.9 | -79 | -164.3 | -172.5 | 177.7 | 11.2 | 109.1 | Y589 | Y589-R591 HydrophobicContact CD1-CG 4.14Å; Y589-R591 HydrophobicContact CE1-CG 4.27Å; Y589-R591 PolarHBondContact OH-NH2 3.26Å | ||
| 592 | K | 25.2 | Very low | 27.6 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | 63.6 | 97 | 79.1 | -102.1 | -178 | 175.9 | 177.5 | 0 | 113.9 | |||||
| 593 | I | 24.4 | Very low | 27.8 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -3.6 | 125.5 | 140.8 | -53.7 | 165.8 | 0 | 0 | 0 | 114.9 | ||||
| 594 | I | 25.9 | Very low | 27.8 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -147.3 | 123.4 | 138.4 | -60.4 | -172.3 | 0 | 0 | 0 | 109.1 | T596 | I594-T596 HydrophobicContact CG2-CG2 4.2Š| ||
| 595 | W | 23.3 | Very low | 28.1 | Very low | 213 Ų | 213 | 154.6 Ų | 154.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -77.1 | 135.5 | 162.4 | -79 | 71.2 | 0 | 0 | 0 | 109.6 | ||||
| 596 | T | 28.2 | Very low | 28.1 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -138.3 | 131.5 | 157.3 | 45.8 | 0 | 0 | 0 | 0 | 111 | I594 | I594-T596 HydrophobicContact CG2-CG2 4.2Š| ||
| 597 | F | 24.1 | Very low | 28.4 | Very low | 177 Ų | 177 | 162.4 Ų | 162.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -98.6 | 142.7 | -178.9 | -126.2 | -93.8 | 0 | 0 | 0 | 109.4 | ||||
| 598 | N | 28 | Very low | 28.5 | Very low | 143 Ų | 143 | 159.4 Ų | 159.4 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 68.3 | 167.8 | 152.1 | -127.9 | 6.1 | 0 | 0 | 0 | 119.1 | ||||
| 599 | P | 34.7 | Very low | 28.8 | Very low | 87 Ų | 87 | 157.6 Ų | 157.6 | 57% | 0.565 | 78% | 0.781 | S | S | * | * | cis | -133.7 | 178.2 | -19.5 | 17.7 | 7.8 | 0 | 0 | 0 | 114.9 | ||||
| 600 | N | 26.3 | Very low | 29.3 | Very low | 156 Ų | 156 | 154 Ų | 154 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 72.8 | 112.2 | 151.7 | -65.3 | -18.5 | 0 | 0 | 0 | 120.8 | ||||
| 601 | S | 36.4 | Very low | 30 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | -167.6 | 123.8 | 114.1 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 602 | N | 29.9 | Very low | 30.3 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -53 | 142 | 171.4 | -64.8 | -44.9 | 0 | 0 | 0 | 112.4 | ||||
| 603 | N | 34.5 | Very low | 31.1 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | -157.5 | 119.5 | 126.1 | -95.6 | -25.2 | 0 | 0 | 0 | 111.8 | |||||
| 604 | I | 28.9 | Very low | 31.7 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | trans | -82.9 | 132.1 | -176.3 | -70 | 159.4 | 0 | 0 | 0 | 108.6 | K606 | I604-K606 HydrophobicContact CG2-CG 3.95Š| ||
| 605 | L | 34 | Very low | 32.5 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | trans | -135.1 | 96.1 | 150.3 | -109.5 | 143 | 0 | 0 | 0 | 108.3 | ||||
| 606 | K | 29.2 | Very low | 33.4 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -59.2 | 133.6 | 168.9 | -77.1 | 169.2 | 169.5 | 175.1 | 0 | 109.8 | I604 | I604-K606 HydrophobicContact CG2-CG 3.95Š| ||
| 607 | F | 31.3 | Very low | 34.3 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -148.4 | 106.9 | 141.2 | -109.3 | -79.1 | 0 | 0 | 0 | 112.3 | ||||
| 608 | N | 31.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 66% | 0.658 | 71% | 0.71 | S | S | * | * | trans | 45.6 | 117.5 | 153.2 | -100 | -17.7 | 0 | 0 | 0 | 123.6 | ||||
| 609 | P | 30 | Very low | 36.1 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -95.9 | 98.4 | 166.1 | 35.5 | -23.8 | 0 | 0 | 0 | 110.3 | ||
| 610 | S | 37.6 | Very low | 36.5 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -161.4 | 5.8 | 171.1 | 29.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 611 | T | 38.3 | Very low | 37.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -120.6 | 10.2 | -171.9 | 43.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 612 | L | 35.6 | Very low | 37.6 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -122.2 | 19 | -179.7 | -86.8 | 161.8 | 0 | 0 | 0 | 114.6 | I615 | L612-I615 HydrophobicContact CD2-CD1 4.3Š|
| 613 | V | 41.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -101.3 | -7.9 | 168.6 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | S616 | V613-S616 PolarHBondContact O-OG 3.34Š|
| 614 | Y | 37.5 | Very low | 38.9 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -93.3 | -10.3 | -178 | -129.5 | -96.4 | 0 | 0 | 0 | 114.4 | ||
| 615 | I | 43.1 | Very low | 39.5 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 56% | 0.564 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.3 | -19.6 | -177 | -62.2 | 176 | 0 | 0 | 0 | 111.6 | L612 | L612-I615 HydrophobicContact CD2-CD1 4.3Š|
| 616 | S | 41.6 | Very low | 39.8 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 50% | 0.497 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -84 | -14.9 | 176.2 | 38.6 | 0 | 0 | 0 | 0 | 114.4 | V613 | V613-S616 PolarHBondContact O-OG 3.34Å |
| 617 | I | 46 | Very low | 40.4 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 57% | 0.574 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -92.2 | -25.7 | 179.8 | -62.4 | 174.7 | 0 | 0 | 0 | 111.8 | ||
| 618 | V | 46.7 | Very low | 40.9 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 52% | 0.515 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -81.3 | -26.6 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 619 | Y | 44 | Very low | 41.4 | Very low | 177 Ų | 177 | 137 Ų | 137 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -78.9 | -24.6 | 176.2 | -113.8 | -91.4 | 0 | 0 | 0 | 113.8 | ||
| 620 | M | 43.1 | Very low | 42.1 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -81.7 | -19.7 | 174.7 | -90.7 | -69.5 | -152.4 | 0 | 0 | 113.5 | ||
| 621 | Y | 38.6 | Very low | 42.5 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -87.9 | -11.7 | 179.8 | -141.9 | -94.3 | 0 | 0 | 0 | 113.7 | ||
| 622 | L | 47.2 | Very low | 42.8 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -100.2 | -0.1 | 178.7 | -75.9 | 166.8 | 0 | 0 | 0 | 113.8 | ||
| 623 | L | 43.6 | Very low | 43.3 | Very low | 135 Ų | 135 | 143 Ų | 143 | 71% | 0.707 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -111 | 4.5 | 177.9 | -77.6 | 165.4 | 0 | 0 | 0 | 113.8 | ||
| 624 | I | 47.4 | Very low | 43.5 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | trans | -122.4 | 30.2 | -178.3 | -55 | 175.3 | 0 | 0 | 0 | 111.4 | ||||
| 625 | K | 43 | Very low | 44 | Very low | 259 Ų | 259 | 141.9 Ų | 141.9 | 100% | 1.126 | 69% | 0.687 | S | S | * | * | trans | -135.1 | 0 | 167.9 | -131.2 | -171 | -173.8 | -175.3 | 0 | 108.6 |
Retrieved 625 of 625 residues in 271.5 ms
(Link to these results)