| 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 | 50.3 | Low | 57.9 | Low | 198 Ų | 198 | 92.1 Ų | 92.1 | 98% | 0.975 | 60% | 0.596 | S | S | * | * | 0 | -50.2 | 0 | -91.4 | 176.7 | 74.5 | 0 | 0 | 113.4 | A3 A4 L5 | M1-A3 PolarHBondContact O-N 2.96Å; M1-A4 PolarHBondContact O-N 3.25Å; M1-L5 PolarHBondContact O-N 3.03Å; M1-L5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | L | 53 | Low | 58.1 | Low | 156 Ų | 156 | 92.8 Ų | 92.8 | 82% | 0.817 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.9 | -38.5 | -178.8 | -80 | 152.2 | 0 | 0 | 0 | 114.7 | L5 G6 | L2-L5 PolarHBondContact O-N 3.03Å; L2-G6 PolarHBondContact O-N 3.03Å; L2-G6 VanDerWaalsContact O-N 3.13Å |
| 3 | A | 54.5 | Low | 58.1 | Low | 89 Ų | 89 | 101.2 Ų | 101.2 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.5 | -33.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1 S7 | M1-A3 PolarHBondContact O-N 2.96Å; A3-S7 PolarHBondContact O-N 2.96Å; A3-S7 VanDerWaalsContact O-N 3.13Å |
| 4 | A | 55.9 | Low | 58.1 | Low | 67 Ų | 67 | 99.1 Ų | 99.1 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.6 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | M1 S7 L8 | M1-A4 PolarHBondContact O-N 3.25Å; A4-S7 PolarHBondContact O-N 2.92Å; A4-L8 PolarHBondContact O-N 3.48Å; A4-L8 VanDerWaalsContact O-N 3.08Å |
| 5 | L | 54.6 | Low | 58.1 | Low | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -39.6 | 172.9 | -79.7 | 158.7 | 0 | 0 | 0 | 112.1 | M1 L2 L8 A9 | M1-L5 PolarHBondContact O-N 3.03Å; M1-L5 VanDerWaalsContact O-N 3.14Å; L2-L5 PolarHBondContact O-N 3.03Å; L5-L8 PolarHBondContact O-N 2.85Å; L5-A9 WeakPolarHBondContact O-CB 3.4Å; L5-A9 PolarHBondContact O-N 2.81Å |
| 6 | G | 58.6 | Low | 58.5 | Low | 43 Ų | 43 | 97.5 Ų | 97.5 | 44% | 0.443 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2 A10 | L2-G6 PolarHBondContact O-N 3.03Å; L2-G6 VanDerWaalsContact O-N 3.13Å; G6-A10 VanDerWaalsContact O-CB 3.29Å; G6-A10 WeakPolarHBondContact O-CB 3.47Å; G6-A10 PolarHBondContact O-N 3.43Å |
| 7 | S | 63 | Low | 59.5 | Low | 81 Ų | 81 | 97.3 Ų | 97.3 | 57% | 0.566 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -39 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 113 | A3 A4 A11 | A3-S7 PolarHBondContact O-N 2.96Å; A3-S7 VanDerWaalsContact O-N 3.13Å; A4-S7 PolarHBondContact O-N 2.92Å; S7-A11 WeakPolarHBondContact O-CB 3.26Å; S7-A11 PolarHBondContact O-N 3.1Å |
| 8 | L | 60.6 | Low | 60.7 | Low | 114 Ų | 114 | 97.4 Ų | 97.4 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.6 | -39.5 | 178.8 | -146.9 | 101.5 | 0 | 0 | 0 | 111.2 | A4 L5 A11 L12 | A4-L8 PolarHBondContact O-N 3.48Å; A4-L8 VanDerWaalsContact O-N 3.08Å; L5-L8 PolarHBondContact O-N 2.85Å; L8-A11 PolarHBondContact O-N 2.87Å; L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 WeakPolarHBondContact O-CD1 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.17Å |
| 9 | A | 62.5 | Low | 61.9 | Low | 43 Ų | 43 | 102.3 Ų | 102.3 | 36% | 0.355 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.2 | -44.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L5 A11 L12 W13 | L5-A9 WeakPolarHBondContact O-CB 3.4Å; L5-A9 PolarHBondContact O-N 2.81Å; A9-A11 VanDerWaalsContact C-N 3.35Å; A9-A11 PolarHBondContact O-N 3.24Å; A9-L12 PolarHBondContact O-N 2.9Å; A9-W13 WeakPolarHBondContact O-CB 3.22Å; A9-W13 PolarHBondContact O-N 3.44Å |
| 10 | A | 61.8 | Low | 63.1 | Low | 62 Ų | 62 | 101.3 Ų | 101.3 | 51% | 0.512 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.9 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G6 W13 A14 | G6-A10 VanDerWaalsContact O-CB 3.29Å; G6-A10 WeakPolarHBondContact O-CB 3.47Å; G6-A10 PolarHBondContact O-N 3.43Å; A10-W13 PolarHBondContact O-N 2.89Å; A10-A14 WeakPolarHBondContact O-CB 3.29Å; A10-A14 PolarHBondContact O-N 3Å |
| 11 | A | 61.6 | Low | 64.3 | Low | 53 Ų | 53 | 101.4 Ų | 101.4 | 44% | 0.438 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S7 L8 A9 A14 V15 | S7-A11 WeakPolarHBondContact O-CB 3.26Å; S7-A11 PolarHBondContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 2.87Å; A9-A11 VanDerWaalsContact C-N 3.35Å; A9-A11 PolarHBondContact O-N 3.24Å; A11-A14 PolarHBondContact O-N 2.95Å; A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.1Å |
| 12 | L | 60.2 | Low | 66.2 | Low | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.7 | -43.9 | 172.1 | -84.6 | 157 | 0 | 0 | 0 | 111.5 | L8 A9 A14 V15 V16 | L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 WeakPolarHBondContact O-CD1 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 2.9Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 3.39Å; L12-V15 PolarHBondContact O-N 3.2Å; L12-V16 WeakPolarHBondContact O-CB 3.41Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.36Å |
| 13 | W | 59 | Low | 67.9 | Low | 201 Ų | 201 | 96 Ų | 96 | 76% | 0.761 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.2 | -29.4 | 175.8 | -83.8 | 100.6 | 0 | 0 | 0 | 113.3 | A9 A10 V16 | A9-W13 WeakPolarHBondContact O-CB 3.22Å; A9-W13 PolarHBondContact O-N 3.44Å; A10-W13 PolarHBondContact O-N 2.89Å; W13-V16 CarbonylContact O-C 3.24Å |
| 14 | A | 57.8 | Low | 69.7 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.1 | -31.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A10 A11 L12 | A10-A14 WeakPolarHBondContact O-CB 3.29Å; A10-A14 PolarHBondContact O-N 3Å; A11-A14 PolarHBondContact O-N 2.95Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 3.39Å |
| 15 | V | 58.1 | Low | 71.4 | Confident | 102 Ų | 102 | 93.6 Ų | 93.6 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.7 | -34.7 | 172.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | A11 L12 H17 | A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.1Å; L12-V15 PolarHBondContact O-N 3.2Å; V15-H17 PolarHBondContact O-N 3.11Å; V15-H17 VanDerWaalsContact O-N 3.08Å |
| 16 | V | 64 | Low | 73.1 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 42% | 0.424 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -85.8 | 48 | 173.4 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | L12 W13 P18 | L12-V16 WeakPolarHBondContact O-CB 3.41Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.36Å; W13-V16 CarbonylContact O-C 3.24Å; V16-P18 WeakPolarHBondContact O-CD 3.26Å |
| 17 | H | 75.1 | Confident | 74.7 | Confident | 94 Ų | 94 | 92.2 Ų | 92.2 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | trans | -64.9 | 132.5 | 166.6 | -161 | -52.2 | 0 | 0 | 0 | 107.5 | V15 R19 T20 L21 | V15-H17 PolarHBondContact O-N 3.11Å; V15-H17 VanDerWaalsContact O-N 3.08Å; H17-R19 PolarHBondContact O-N 3.26Å; H17-T20 WeakPolarHBondContact O-CA 3.44Å; H17-T20 WeakPolarHBondContact O-CB 3.37Å; H17-T20 PolarHBondContact O-N 3.17Å; H17-L21 PolarHBondContact O-N 3.2Å | ||
| 18 | P | 81.9 | Confident | 76.1 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -51.4 | -28.6 | -179.5 | -32 | 34.4 | 0 | 0 | 0 | 114.5 | V16 L22 | V16-P18 WeakPolarHBondContact O-CD 3.26Å; P18-L22 WeakPolarHBondContact O-CB 3.49Å; P18-L22 PolarHBondContact O-N 2.86Å |
| 19 | R | 83.7 | Confident | 77.6 | Confident | 189 Ų | 189 | 93.7 Ų | 93.7 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.7 | -45.1 | 174.3 | -67 | -178.5 | 178.3 | 179.1 | -0.3 | 112.3 | H17 L22 L23 | H17-R19 PolarHBondContact O-N 3.26Å; R19-L22 PolarHBondContact O-N 2.84Å; R19-L23 WeakPolarHBondContact O-CB 3.25Å; R19-L23 VanDerWaalsContact O-CG 3.24Å; R19-L23 WeakPolarHBondContact O-CG 3.45Å; R19-L23 PolarHBondContact O-N 3.48Å |
| 20 | T | 86.4 | Confident | 79 | Confident | 82 Ų | 82 | 94.9 Ų | 94.9 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.8 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | H17 L23 G24 | H17-T20 WeakPolarHBondContact O-CA 3.44Å; H17-T20 WeakPolarHBondContact O-CB 3.37Å; H17-T20 PolarHBondContact O-N 3.17Å; T20-L23 PolarHBondContact O-N 3.09Å; T20-G24 PolarHBondContact O-N 2.86Å |
| 21 | L | 87.8 | Confident | 80.4 | Confident | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 175 | -171.1 | 70.4 | 0 | 0 | 0 | 111 | H17 L23 G24 T25 | H17-L21 PolarHBondContact O-N 3.2Å; L21-L23 PolarHBondContact O-N 3.35Å; L21-G24 PolarHBondContact O-N 2.73Å; L21-T25 WeakPolarHBondContact O-CB 3.42Å; L21-T25 PolarHBondContact O-N 3.26Å; L21-T25 PolarHBondContact O-OG1 3.42Å |
| 22 | L | 89.1 | Confident | 81.7 | Confident | 114 Ų | 114 | 95.4 Ų | 95.4 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 177.2 | -178.7 | 65.7 | 0 | 0 | 0 | 111.9 | P18 R19 G24 T25 V26 | P18-L22 WeakPolarHBondContact O-CB 3.49Å; P18-L22 PolarHBondContact O-N 2.86Å; R19-L22 PolarHBondContact O-N 2.84Å; L22-G24 VanDerWaalsContact C-N 3.34Å; L22-G24 PolarHBondContact O-N 3.47Å; L22-T25 PolarHBondContact O-N 3.37Å; L22-V26 HydrophobicContact CD1-CG2 4.5Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 3.27Å |
| 23 | L | 90.4 | Very high | 83.1 | Confident | 125 Ų | 125 | 91.2 Ų | 91.2 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 177 | -72.9 | 170.5 | 0 | 0 | 0 | 111.5 | R19 T20 L21 V26 A27 | R19-L23 WeakPolarHBondContact O-CB 3.25Å; R19-L23 VanDerWaalsContact O-CG 3.24Å; R19-L23 WeakPolarHBondContact O-CG 3.45Å; R19-L23 PolarHBondContact O-N 3.48Å; T20-L23 PolarHBondContact O-N 3.09Å; L21-L23 PolarHBondContact O-N 3.35Å; L23-V26 PolarHBondContact O-N 3.37Å; L23-A27 WeakPolarHBondContact O-CB 3.41Å; L23-A27 PolarHBondContact O-N 3.4Å |
| 24 | G | 91.9 | Very high | 84.4 | Confident | 41 Ų | 41 | 87.2 Ų | 87.2 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T20 L21 L22 A27 F28 | T20-G24 PolarHBondContact O-N 2.86Å; L21-G24 PolarHBondContact O-N 2.73Å; L22-G24 VanDerWaalsContact C-N 3.34Å; L22-G24 PolarHBondContact O-N 3.47Å; G24-A27 PolarHBondContact O-N 3.01Å; G24-F28 VanDerWaalsContact O-CB 3.27Å; G24-F28 WeakPolarHBondContact O-CB 3.5Å; G24-F28 PolarHBondContact O-N 2.88Å |
| 25 | T | 91.1 | Very high | 85.8 | Confident | 66 Ų | 66 | 89 Ų | 89 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | L21 L22 F28 L29 | L21-T25 WeakPolarHBondContact O-CB 3.42Å; L21-T25 PolarHBondContact O-N 3.26Å; L21-T25 PolarHBondContact O-OG1 3.42Å; L22-T25 PolarHBondContact O-N 3.37Å; T25-F28 PolarHBondContact O-N 2.95Å; T25-L29 HydrophobicContact CG2-CD1 4.02Å; T25-L29 HydrophobicContact CG2-CG 4.32Å; T25-L29 WeakPolarHBondContact O-CB 3.29Å; T25-L29 VanDerWaalsContact O-CG 3.25Å; T25-L29 WeakPolarHBondContact O-CG 3.42Å; T25-L29 PolarHBondContact O-N 2.82Å |
| 26 | V | 91.1 | Very high | 87.1 | Confident | 70 Ų | 70 | 90.4 Ų | 90.4 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L22 L23 F28 L29 L30 | L22-V26 HydrophobicContact CD1-CG2 4.5Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 3.27Å; L23-V26 PolarHBondContact O-N 3.37Å; V26-F28 PolarHBondContact O-N 2.96Å; V26-L29 PolarHBondContact O-N 3.23Å; V26-L30 HydrophobicContact CG1-CD1 4.01Å; V26-L30 HydrophobicContact CG1-CG 4.45Å; V26-L30 WeakPolarHBondContact O-CB 3.31Å; V26-L30 VanDerWaalsContact O-CG 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.5Å; V26-L30 PolarHBondContact O-N 2.9Å |
| 27 | A | 91.6 | Very high | 88 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L23 G24 L29 L30 V31 | L23-A27 WeakPolarHBondContact O-CB 3.41Å; L23-A27 PolarHBondContact O-N 3.4Å; G24-A27 PolarHBondContact O-N 3.01Å; A27-L29 PolarHBondContact O-N 3.36Å; A27-L30 PolarHBondContact O-N 2.88Å; A27-V31 WeakPolarHBondContact O-CG2 3.44Å; A27-V31 PolarHBondContact O-N 3.31Å |
| 28 | F | 92.9 | Very high | 88.5 | Confident | 144 Ų | 144 | 93.4 Ų | 93.4 | 63% | 0.632 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -45.9 | 175.5 | 175.5 | -97.3 | 0 | 0 | 0 | 111.9 | G24 T25 V26 L30 V31 A32 | G24-F28 VanDerWaalsContact O-CB 3.27Å; G24-F28 WeakPolarHBondContact O-CB 3.5Å; G24-F28 PolarHBondContact O-N 2.88Å; T25-F28 PolarHBondContact O-N 2.95Å; V26-F28 PolarHBondContact O-N 2.96Å; F28-L30 PolarHBondContact O-N 3.09Å; F28-V31 PolarHBondContact O-N 2.82Å; F28-A32 VanDerWaalsContact O-CB 3.26Å; F28-A32 WeakPolarHBondContact O-CB 3.3Å; F28-A32 PolarHBondContact O-N 3.08Å |
| 29 | L | 92.2 | Very high | 88.7 | Confident | 81 Ų | 81 | 91.7 Ų | 91.7 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 178 | -70.9 | 174 | 0 | 0 | 0 | 111.9 | T25 V26 A27 A32 D33 F52 | T25-L29 HydrophobicContact CG2-CD1 4.02Å; T25-L29 HydrophobicContact CG2-CG 4.32Å; T25-L29 WeakPolarHBondContact O-CB 3.29Å; T25-L29 VanDerWaalsContact O-CG 3.25Å; T25-L29 WeakPolarHBondContact O-CG 3.42Å; T25-L29 PolarHBondContact O-N 2.82Å; V26-L29 PolarHBondContact O-N 3.23Å; A27-L29 PolarHBondContact O-N 3.36Å; L29-A32 PolarHBondContact O-N 2.88Å; L29-D33 WeakPolarHBondContact O-CB 3.31Å; L29-D33 PolarHBondContact O-N 3.2Å; L29-F52 HydrophobicContact CB-CE1 4.45Å; L29-F52 HydrophobicContact CB-CZ 4.02Å |
| 30 | L | 91.1 | Very high | 89 | Confident | 69 Ų | 69 | 85.4 Ų | 85.4 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 175.5 | -73.1 | 172.1 | 0 | 0 | 0 | 112.1 | V26 A27 F28 F34 P51 F52 | V26-L30 HydrophobicContact CG1-CD1 4.01Å; V26-L30 HydrophobicContact CG1-CG 4.45Å; V26-L30 WeakPolarHBondContact O-CB 3.31Å; V26-L30 VanDerWaalsContact O-CG 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.5Å; V26-L30 PolarHBondContact O-N 2.9Å; A27-L30 PolarHBondContact O-N 2.88Å; F28-L30 PolarHBondContact O-N 3.09Å; L30-F34 VanDerWaalsContact O-CB 3.29Å; L30-F34 WeakPolarHBondContact O-CB 3.46Å; L30-F34 PolarHBondContact O-N 2.66Å; L30-P51 HydrophobicContact CD2-CB 3.6Å; L30-P51 HydrophobicContact CD2-CG 3.87Å; L30-F52 HydrophobicContact CD2-CE2 3.71Å; L30-F52 HydrophobicContact CD2-CZ 4.3Å |
| 31 | V | 91 | Very high | 89.1 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A27 F28 D33 F34 L35 | A27-V31 WeakPolarHBondContact O-CG2 3.44Å; A27-V31 PolarHBondContact O-N 3.31Å; F28-V31 PolarHBondContact O-N 2.82Å; V31-D33 VanDerWaalsContact C-N 3.34Å; V31-D33 PolarHBondContact O-N 2.75Å; V31-F34 PolarHBondContact O-N 3.34Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.42Å; V31-L35 WeakPolarHBondContact O-CB 3.11Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.09Å |
| 32 | A | 89.9 | Confident | 89.4 | Confident | 40 Ų | 40 | 90.7 Ų | 90.7 | 33% | 0.331 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F28 L29 L35 K36 | F28-A32 VanDerWaalsContact O-CB 3.26Å; F28-A32 WeakPolarHBondContact O-CB 3.3Å; F28-A32 PolarHBondContact O-N 3.08Å; L29-A32 PolarHBondContact O-N 2.88Å; A32-L35 PolarHBondContact O-N 3.04Å; A32-K36 WeakPolarHBondContact O-CB 3.48Å; A32-K36 PolarHBondContact O-N 3.27Å |
| 33 | D | 87.9 | Confident | 89.7 | Confident | 13 Ų | 13 | 86.1 Ų | 86.1 | 7% | 0.07 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 176.2 | -175.4 | 77.1 | 0 | 0 | 0 | 111.7 | L29 V31 L35 K36 R37 P51 F52 | L29-D33 WeakPolarHBondContact O-CB 3.31Å; L29-D33 PolarHBondContact O-N 3.2Å; V31-D33 VanDerWaalsContact C-N 3.34Å; V31-D33 PolarHBondContact O-N 2.75Å; D33-L35 PolarHBondContact O-N 2.88Å; D33-K36 PolarHBondContact O-N 3.16Å; D33-R37 WeakPolarHBondContact O-CB 2.88Å; D33-R37 VanDerWaalsContact O-CG 3.28Å; D33-R37 WeakPolarHBondContact O-CG 3.48Å; D33-R37 PolarHBondContact O-N 3.23Å; D33-R37 IonicContact OD1-CZ 3.52Å; D33-R37 IonicContact OD1-NE 3.38Å; D33-R37 PolarHBondContact OD1-NE 3.38Å; D33-R37 IonicContact OD1-NH2 3.38Å; D33-R37 PolarHBondContact OD1-NH2 3.05Å; D33-R37 VanDerWaalsContact OD1-NH2 3.1Å; D33-R37 VanDerWaalsContact OD2-CD 3.23Å; D33-R37 WeakPolarHBondContact OD2-CD 3.27Å; D33-R37 IonicContact OD2-CZ 2.8Å; D33-R37 IonicContact OD2-NE 3.56Å; D33-R37 PolarHBondContact OD2-NE 2.91Å; D33-P51 WeakPolarHBondContact OD2-CA 3.38Å; D33-F52 HydrophobicContact CB-CD1 4.39Å; D33-F52 HydrophobicContact CB-CE1 4.06Å; D33-F52 HydrophobicContact CB-CZ 4.44Å; D33-F52 PolarHBondContact OD2-N 2.97Å |
| 34 | F | 87.7 | Confident | 89.9 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 173.9 | 175.6 | -99.4 | 0 | 0 | 0 | 112.5 | L30 V31 R38 W48 | L30-F34 VanDerWaalsContact O-CB 3.29Å; L30-F34 WeakPolarHBondContact O-CB 3.46Å; L30-F34 PolarHBondContact O-N 2.66Å; V31-F34 PolarHBondContact O-N 3.34Å; F34-R38 PolarHBondContact O-N 2.86Å; F34-W48 HydrophobicContact CD2-CZ2 4.45Å; F34-W48 HydrophobicContact CE2-CZ2 4.09Å |
| 35 | L | 87.6 | Confident | 90.1 | Very high | 110 Ų | 110 | 80 Ų | 80 | 58% | 0.576 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 176.9 | -69.5 | 174.9 | 0 | 0 | 0 | 111.7 | V31 A32 D33 R38 | V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.42Å; V31-L35 WeakPolarHBondContact O-CB 3.11Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.09Å; A32-L35 PolarHBondContact O-N 3.04Å; D33-L35 PolarHBondContact O-N 2.88Å; L35-R38 WeakPolarHBondContact O-CB 3.35Å; L35-R38 PolarHBondContact O-N 3.05Å |
| 36 | K | 85.6 | Confident | 90.3 | Very high | 133 Ų | 133 | 77.4 Ų | 77.4 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 176.6 | -175 | -171.2 | 179.1 | -165.3 | 0 | 112 | A32 D33 R38 D85 | A32-K36 WeakPolarHBondContact O-CB 3.48Å; A32-K36 PolarHBondContact O-N 3.27Å; D33-K36 PolarHBondContact O-N 3.16Å; K36-R38 VanDerWaalsContact C-N 3.29Å; K36-R38 PolarHBondContact O-N 3.21Å; K36-D85 IonicContact NZ-OD1 2.8Å; K36-D85 PolarHBondContact NZ-OD1 3.14Å; K36-D85 IonicContact NZ-OD2 3.03Å; K36-D85 PolarHBondContact NZ-OD2 3.01Å |
| 37 | R | 82.8 | Confident | 90.4 | Very high | 32 Ų | 32 | 74.3 Ų | 74.3 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 2 | -176.9 | -68.4 | 178.6 | -173.4 | -73.4 | -21.1 | 114.1 | D33 R39 F52 G84 D85 | D33-R37 WeakPolarHBondContact O-CB 2.88Å; D33-R37 VanDerWaalsContact O-CG 3.28Å; D33-R37 WeakPolarHBondContact O-CG 3.48Å; D33-R37 PolarHBondContact O-N 3.23Å; D33-R37 IonicContact OD1-CZ 3.52Å; D33-R37 IonicContact OD1-NE 3.38Å; D33-R37 PolarHBondContact OD1-NE 3.38Å; D33-R37 IonicContact OD1-NH2 3.38Å; D33-R37 PolarHBondContact OD1-NH2 3.05Å; D33-R37 VanDerWaalsContact OD1-NH2 3.1Å; D33-R37 VanDerWaalsContact OD2-CD 3.23Å; D33-R37 WeakPolarHBondContact OD2-CD 3.27Å; D33-R37 IonicContact OD2-CZ 2.8Å; D33-R37 IonicContact OD2-NE 3.56Å; D33-R37 PolarHBondContact OD2-NE 2.91Å; R37-R39 PolarHBondContact O-N 2.89Å; R37-F52 VanDerWaalsContact NH2-C 3.3Å; R37-F52 VanDerWaalsContact NH2-CA 3.31Å; R37-F52 PolarHBondContact NH2-O 2.88Å; R37-G84 PolarHBondContact NH1-O 3Å; R37-D85 IonicContact NH2-OD1 2.92Å |
| 38 | R | 84.8 | Confident | 90.3 | Very high | 194 Ų | 194 | 80.7 Ų | 80.7 | 73% | 0.732 | 38% | 0.382 | S | S | * | . | trans | -63.1 | 115.1 | 177.6 | -171.6 | 178.8 | -178.5 | 177.7 | 2.9 | 108.7 | F34 L35 K36 | F34-R38 PolarHBondContact O-N 2.86Å; L35-R38 WeakPolarHBondContact O-CB 3.35Å; L35-R38 PolarHBondContact O-N 3.05Å; K36-R38 VanDerWaalsContact C-N 3.29Å; K36-R38 PolarHBondContact O-N 3.21Å | ||
| 39 | R | 86.6 | Confident | 90.3 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 24% | 0.242 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 136.2 | 176.6 | -75 | 179.8 | 175.3 | 147.2 | 6.8 | 110.5 | R37 Y43 G46 P47 S80 | R37-R39 PolarHBondContact O-N 2.89Å; R39-Y43 HydrophobicContact CB-CD1 4.17Å; R39-Y43 HydrophobicContact CB-CG 4.48Å; R39-Y43 HydrophobicContact CG-CD1 3.83Å; R39-G46 PolarHBondContact NH1-O 2.91Å; R39-P47 PolarHBondContact NH2-O 3.29Å; R39-S80 VanDerWaalsContact CZ-OG 3.24Å; R39-S80 PolarHBondContact NE-OG 3.08Å; R39-S80 VanDerWaalsContact NE-OG 3.16Å; R39-S80 PolarHBondContact NH2-OG 3.16Å |
| 40 | P | 88.6 | Confident | 90.2 | Very high | 57 Ų | 57 | 73.8 Ų | 73.8 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 158.8 | 172.4 | -24.8 | 32.4 | 0 | 0 | 0 | 112 | N42 Y43 P396 | P40-N42 PolarHBondContact O-N 3.01Å; P40-Y43 HydrophobicContact CG-CD2 4.25Å; P40-Y43 HydrophobicContact CG-CG 4.47Å; P40-Y43 VanDerWaalsContact O-CB 3.32Å; P40-Y43 WeakPolarHBondContact O-CB 3.36Å; P40-Y43 PolarHBondContact O-N 3.3Å; P40-P396 HydrophobicContact CG-CG 3.79Å |
| 41 | K | 89.8 | Confident | 90.1 | Very high | 197 Ų | 197 | 73.3 Ų | 73.3 | 86% | 0.857 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.7 | 172 | -69.4 | -174.3 | -179.1 | -180 | 0 | 108.9 | Y43 | K41-Y43 PolarHBondContact O-N 3.04Š|
| 42 | N | 93.3 | Very high | 90 | Very high | 101 Ų | 101 | 73.1 Ų | 73.1 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 27.9 | 179.1 | -160.3 | 33.5 | 0 | 0 | 0 | 114.5 | P40 G392 Y393 H394 | P40-N42 PolarHBondContact O-N 3.01Å; N42-G392 PolarHBondContact ND2-O 2.87Å; N42-Y393 CarbonylContact O-C 3.44Å; N42-Y393 WeakPolarHBondContact O-CA 3.32Å; N42-H394 PolarHBondContact O-N 2.84Å |
| 43 | Y | 94.9 | Very high | 90 | Very high | 18 Ų | 18 | 72.2 Ų | 72.2 | 7% | 0.071 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 152.7 | 169.7 | -162.9 | -112.5 | 0 | 0 | 0 | 110.7 | R39 P40 K41 V89 H394 L395 T399 | R39-Y43 HydrophobicContact CB-CD1 4.17Å; R39-Y43 HydrophobicContact CB-CG 4.48Å; R39-Y43 HydrophobicContact CG-CD1 3.83Å; P40-Y43 HydrophobicContact CG-CD2 4.25Å; P40-Y43 HydrophobicContact CG-CG 4.47Å; P40-Y43 VanDerWaalsContact O-CB 3.32Å; P40-Y43 WeakPolarHBondContact O-CB 3.36Å; P40-Y43 PolarHBondContact O-N 3.3Å; K41-Y43 PolarHBondContact O-N 3.04Å; Y43-V89 HydrophobicContact CE1-CG2 4.5Å; Y43-V89 HydrophobicContact CE2-CG2 4.45Å; Y43-V89 WeakPolarHBondContact OH-CG2 3.23Å; Y43-H394 VanDerWaalsContact CD2-O 3.25Å; Y43-H394 WeakPolarHBondContact CD2-O 3.37Å; Y43-L395 HydrophobicContact CD2-CD2 4.45Å; Y43-L395 HydrophobicContact CE2-CD2 4Å; Y43-T399 WeakPolarHBondContact OH-CG2 3.28Å |
| 44 | P | 96.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -54 | 144.8 | 179.5 | -31.7 | 39.7 | 0 | 0 | 0 | 114.4 | L78 S80 V89 Y393 L395 | P44-L78 HydrophobicContact CB-CD2 3.32Å; P44-L78 HydrophobicContact CG-CD2 3.2Å; P44-S80 PolarHBondContact O-OG 2.88Å; P44-V89 HydrophobicContact CB-CG2 4.43Å; P44-V89 HydrophobicContact CG-CG1 4.22Å; P44-V89 HydrophobicContact CG-CG2 3.94Å; P44-Y393 HydrophobicContact CB-CG 4.47Å; P44-Y393 HydrophobicContact CG-CD1 4.43Å; P44-Y393 HydrophobicContact CG-CG 4.05Å; P44-L395 HydrophobicContact CG-CD2 3.67Å |
| 45 | P | 95.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 66 Ų | 66 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 161.5 | 176.7 | 31.7 | -37.1 | 0 | 0 | 0 | 110.8 | Y75 F79 S80 | P45-Y75 HydrophobicContact CB-CD1 4.13Å; P45-F79 CarbonylContact O-C 3.49Å; P45-F79 WeakPolarHBondContact O-CA 3.39Å; P45-F79 VanDerWaalsContact O-CB 3.24Å; P45-F79 WeakPolarHBondContact O-CB 3.46Å; P45-S80 PolarHBondContact O-N 3.47Å; P45-S80 PolarHBondContact O-OG 3.25Å |
| 46 | G | 94.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | trans | 175.4 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R39 S80 | R39-G46 PolarHBondContact NH1-O 2.91Å; G46-S80 WeakPolarHBondContact CA-O 3.49Å | ||
| 47 | P | 92.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 148.6 | 175.9 | 25.9 | -35.7 | 0 | 0 | 0 | 111.7 | R39 N55 F71 Y75 L81 | R39-P47 PolarHBondContact NH2-O 3.29Å; P47-N55 HydrophobicContact CG-CB 4.46Å; P47-N55 WeakPolarHBondContact CG-ND2 3.42Å; P47-N55 PolarHBondContact O-ND2 3.48Å; P47-F71 HydrophobicContact CB-CE1 4.11Å; P47-F71 HydrophobicContact CG-CD1 4.19Å; P47-F71 HydrophobicContact CG-CE1 3.7Å; P47-Y75 WeakPolarHBondContact CA-OH 3.5Å; P47-L81 HydrophobicContact CG-CD2 3.64Å |
| 48 | W | 90.1 | Very high | 91.1 | Very high | 185 Ų | 185 | 64 Ų | 64 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -69 | 125.1 | 179 | -167 | 47.5 | 0 | 0 | 0 | 109.7 | F34 N55 H58 | F34-W48 HydrophobicContact CD2-CZ2 4.45Å; F34-W48 HydrophobicContact CE2-CZ2 4.09Å; W48-N55 PolarHBondContact O-ND2 2.78Å; W48-H58 PolarHBondContact O-CE1 2.9Å |
| 49 | P | 91.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 56 Ų | 56 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 136.6 | -178.2 | 28.2 | -33.9 | 0 | 0 | 0 | 111.1 | E82 | P49-E82 HydrophobicContact CB-CB 4.09Å; P49-E82 HydrophobicContact CB-CG 4.08Å; P49-E82 HydrophobicContact CG-CG 4.31Å |
| 50 | L | 91.6 | Very high | 91.1 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 152 | 169.8 | -63.7 | 172.2 | 0 | 0 | 0 | 110.3 | F52 V53 G54 F57 | L50-F52 PolarHBondContact O-N 2.74Å; L50-V53 HydrophobicContact CB-CG2 3.8Å; L50-V53 HydrophobicContact CD1-CG2 4.39Å; L50-G54 WeakPolarHBondContact CB-O 3.34Å; L50-G54 PolarHBondContact N-O 3.49Å; L50-G54 WeakPolarHBondContact O-CA 3.46Å; L50-G54 PolarHBondContact O-N 2.93Å; L50-F57 HydrophobicContact CD1-CB 4.39Å; L50-F57 HydrophobicContact CD1-CD2 3.94Å |
| 51 | P | 89.2 | Confident | 90.9 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139.7 | 176.8 | -25.3 | 34.2 | 0 | 0 | 0 | 112.5 | L30 D33 V53 | L30-P51 HydrophobicContact CD2-CB 3.6Å; L30-P51 HydrophobicContact CD2-CG 3.87Å; D33-P51 WeakPolarHBondContact OD2-CA 3.38Å; P51-V53 PolarHBondContact O-N 3.45Å |
| 52 | F | 87.6 | Confident | 90.4 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -41.1 | -179.3 | -48.3 | -73 | 0 | 0 | 0 | 117.2 | L29 L30 D33 R37 L50 F233 | L29-F52 HydrophobicContact CB-CE1 4.45Å; L29-F52 HydrophobicContact CB-CZ 4.02Å; L30-F52 HydrophobicContact CD2-CE2 3.71Å; L30-F52 HydrophobicContact CD2-CZ 4.3Å; D33-F52 HydrophobicContact CB-CD1 4.39Å; D33-F52 HydrophobicContact CB-CE1 4.06Å; D33-F52 HydrophobicContact CB-CZ 4.44Å; D33-F52 PolarHBondContact OD2-N 2.97Å; R37-F52 VanDerWaalsContact NH2-C 3.3Å; R37-F52 VanDerWaalsContact NH2-CA 3.31Å; R37-F52 PolarHBondContact NH2-O 2.88Å; L50-F52 PolarHBondContact O-N 2.74Å; F52-F233 HydrophobicContact CB-CE1 4.21Å; F52-F233 HydrophobicContact CB-CZ 4.03Å |
| 53 | V | 91.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -14.5 | -173.4 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | L50 P51 N55 F56 F57 G84 F233 | L50-V53 HydrophobicContact CB-CG2 3.8Å; L50-V53 HydrophobicContact CD1-CG2 4.39Å; P51-V53 PolarHBondContact O-N 3.45Å; V53-N55 PolarHBondContact O-N 2.99Å; V53-F56 HydrophobicContact CB-CB 4.14Å; V53-F56 WeakPolarHBondContact O-CB 3.36Å; V53-F56 PolarHBondContact O-N 2.99Å; V53-F57 HydrophobicContact CB-CE2 4.38Å; V53-F57 HydrophobicContact CG1-CE2 4.33Å; V53-F57 HydrophobicContact CG2-CD2 3.88Å; V53-F57 HydrophobicContact CG2-CE2 3.83Å; V53-G84 PolarHBondContact O-N 3.08Å; V53-F233 HydrophobicContact CG1-CE2 3.87Å; V53-F233 HydrophobicContact CG1-CZ 3.83Å |
| 54 | G | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | 64 | -128.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L50 E82 | L50-G54 WeakPolarHBondContact CB-O 3.34Å; L50-G54 PolarHBondContact N-O 3.49Å; L50-G54 WeakPolarHBondContact O-CA 3.46Å; L50-G54 PolarHBondContact O-N 2.93Å; G54-E82 CarbonylContact C-O 3.51Å; G54-E82 WeakPolarHBondContact CA-O 3.31Å |
| 55 | N | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 14.1 | -179.5 | -58.1 | 117.3 | 0 | 0 | 0 | 113.5 | P47 W48 V53 F57 H58 V59 L81 E82 | P47-N55 HydrophobicContact CG-CB 4.46Å; P47-N55 WeakPolarHBondContact CG-ND2 3.42Å; P47-N55 PolarHBondContact O-ND2 3.48Å; W48-N55 PolarHBondContact O-ND2 2.78Å; V53-N55 PolarHBondContact O-N 2.99Å; N55-F57 VanDerWaalsContact C-N 3.29Å; N55-F57 PolarHBondContact O-N 3.42Å; N55-H58 HydrophobicContact CB-CB 4.25Å; N55-H58 WeakPolarHBondContact O-CA 3.49Å; N55-H58 WeakPolarHBondContact O-CB 3.33Å; N55-H58 PolarHBondContact O-N 3.49Å; N55-V59 PolarHBondContact O-N 2.91Å; N55-L81 HydrophobicContact CB-CD2 4.18Å; N55-E82 WeakPolarHBondContact CB-O 3.33Å; N55-E82 PolarHBondContact N-O 3.48Å; N55-E82 PolarHBondContact OD1-N 2.82Å |
| 56 | F | 91.3 | Very high | 88.1 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -49.4 | -46.3 | 179.8 | -177 | -91.3 | 0 | 0 | 0 | 113.5 | V53 H58 V59 F61 K225 Q228 L229 I232 | V53-F56 HydrophobicContact CB-CB 4.14Å; V53-F56 WeakPolarHBondContact O-CB 3.36Å; V53-F56 PolarHBondContact O-N 2.99Å; F56-H58 VanDerWaalsContact C-N 3.29Å; F56-H58 PolarHBondContact O-N 3.36Å; F56-V59 PolarHBondContact O-N 3.29Å; F56-F61 HydrophobicContact CD1-CE2 4.43Å; F56-F61 AromaticContact CD2-CE2 3.55Å; F56-F61 HydrophobicContact CD2-CE2 3.55Å; F56-F61 AromaticContact CD2-CZ 3.57Å; F56-F61 HydrophobicContact CD2-CZ 3.57Å; F56-F61 HydrophobicContact CE1-CE2 4.3Å; F56-F61 HydrophobicContact CE2-CD2 4.33Å; F56-F61 AromaticContact CE2-CE2 3.4Å; F56-F61 HydrophobicContact CE2-CE2 3.4Å; F56-F61 VanDerWaalsContact CE2-CE2 3.4Å; F56-F61 AromaticContact CE2-CZ 3.68Å; F56-F61 HydrophobicContact CE2-CZ 3.68Å; F56-F61 HydrophobicContact CG-CE2 4.08Å; F56-F61 HydrophobicContact CG-CZ 4.36Å; F56-F61 HydrophobicContact CZ-CD2 4.44Å; F56-F61 AromaticContact CZ-CE2 3.8Å; F56-F61 HydrophobicContact CZ-CE2 3.8Å; F56-K225 HydrophobicContact CZ-CB 4.27Å; F56-Q228 HydrophobicContact CE2-CB 3.8Å; F56-L229 HydrophobicContact CD1-CD2 4.49Å; F56-L229 HydrophobicContact CD2-CD2 4.47Å; F56-L229 HydrophobicContact CE1-CD2 4.05Å; F56-L229 HydrophobicContact CE1-CG 4.28Å; F56-L229 HydrophobicContact CE2-CD2 3.99Å; F56-L229 HydrophobicContact CE2-CG 3.93Å; F56-L229 HydrophobicContact CZ-CD1 4.25Å; F56-L229 HydrophobicContact CZ-CD2 3.78Å; F56-L229 HydrophobicContact CZ-CG 3.62Å; F56-I232 HydrophobicContact CB-CD1 4.07Å; F56-I232 HydrophobicContact CD2-CD1 3.52Å; F56-I232 HydrophobicContact CE2-CD1 4.29Å; F56-I232 HydrophobicContact CG-CD1 4.05Å |
| 57 | F | 89.8 | Confident | 87.6 | Confident | 145 Ų | 145 | 52.7 Ų | 52.7 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -79.8 | -8 | 179.4 | -62.8 | -65.9 | 0 | 0 | 0 | 114.5 | L50 V53 N55 | L50-F57 HydrophobicContact CD1-CB 4.39Å; L50-F57 HydrophobicContact CD1-CD2 3.94Å; V53-F57 HydrophobicContact CB-CE2 4.38Å; V53-F57 HydrophobicContact CG1-CE2 4.33Å; V53-F57 HydrophobicContact CG2-CD2 3.88Å; V53-F57 HydrophobicContact CG2-CE2 3.83Å; N55-F57 VanDerWaalsContact C-N 3.29Å; N55-F57 PolarHBondContact O-N 3.42Å |
| 58 | H | 88.1 | Confident | 87.2 | Confident | 74 Ų | 74 | 53 Ų | 53 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -88.7 | -11.3 | 174.1 | -61.6 | 94.7 | 0 | 0 | 0 | 112.2 | W48 N55 F56 F71 | W48-H58 PolarHBondContact O-CE1 2.9Å; N55-H58 HydrophobicContact CB-CB 4.25Å; N55-H58 WeakPolarHBondContact O-CA 3.49Å; N55-H58 WeakPolarHBondContact O-CB 3.33Å; N55-H58 PolarHBondContact O-N 3.49Å; F56-H58 VanDerWaalsContact C-N 3.29Å; F56-H58 PolarHBondContact O-N 3.36Å; H58-F71 HydrophobicContact CB-CZ 4.28Å; H58-F71 WeakPolarHBondContact O-CZ 3.24Å |
| 59 | V | 86.1 | Confident | 86.8 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -111.9 | 120.8 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | N55 F56 F61 L81 | N55-V59 PolarHBondContact O-N 2.91Å; F56-V59 PolarHBondContact O-N 3.29Å; V59-F61 HydrophobicContact CB-CZ 4.43Å; V59-F61 HydrophobicContact CG1-CD1 4.38Å; V59-F61 HydrophobicContact CG1-CE1 4.25Å; V59-F61 HydrophobicContact CG1-CZ 4.41Å; V59-F61 WeakPolarHBondContact O-CD2 3.35Å; V59-F61 PolarHBondContact O-N 2.83Å; V59-L81 HydrophobicContact CG2-CD1 4.22Å |
| 60 | N | 85.9 | Confident | 86.6 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | trans | -82.2 | 105.6 | 166.6 | -173.7 | -4.6 | 0 | 0 | 0 | 110.6 | E62 Q63 S64 E67 | N60-E62 PolarHBondContact O-N 2.72Å; N60-E62 VanDerWaalsContact O-N 3.14Å; N60-E62 WeakPolarHBondContact OD1-CB 3.5Å; N60-E62 PolarHBondContact OD1-N 3.03Å; N60-E62 VanDerWaalsContact OD1-N 3.09Å; N60-Q63 CarbonylContact O-C 3.53Å; N60-Q63 PolarHBondContact O-N 2.64Å; N60-Q63 VanDerWaalsContact O-N 3.12Å; N60-S64 WeakPolarHBondContact O-CA 3.5Å; N60-S64 WeakPolarHBondContact O-CB 3.24Å; N60-S64 PolarHBondContact O-N 3.47Å; N60-E67 HydrophobicContact CB-CG 4.37Å; N60-E67 WeakPolarHBondContact CB-OE1 3.49Å; N60-E67 WeakPolarHBondContact CB-OE2 3.07Å; N60-E67 PolarHBondContact N-OE2 2.86Å; N60-E67 PolarHBondContact ND2-OE1 3.33Å | ||
| 61 | F | 82.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.2 | 179.4 | -64.8 | -80.6 | 0 | 0 | 0 | 114 | F56 V59 L83 K225 Q228 | F56-F61 HydrophobicContact CD1-CE2 4.43Å; F56-F61 AromaticContact CD2-CE2 3.55Å; F56-F61 HydrophobicContact CD2-CE2 3.55Å; F56-F61 AromaticContact CD2-CZ 3.57Å; F56-F61 HydrophobicContact CD2-CZ 3.57Å; F56-F61 HydrophobicContact CE1-CE2 4.3Å; F56-F61 HydrophobicContact CE2-CD2 4.33Å; F56-F61 AromaticContact CE2-CE2 3.4Å; F56-F61 HydrophobicContact CE2-CE2 3.4Å; F56-F61 VanDerWaalsContact CE2-CE2 3.4Å; F56-F61 AromaticContact CE2-CZ 3.68Å; F56-F61 HydrophobicContact CE2-CZ 3.68Å; F56-F61 HydrophobicContact CG-CE2 4.08Å; F56-F61 HydrophobicContact CG-CZ 4.36Å; F56-F61 HydrophobicContact CZ-CD2 4.44Å; F56-F61 AromaticContact CZ-CE2 3.8Å; F56-F61 HydrophobicContact CZ-CE2 3.8Å; V59-F61 HydrophobicContact CB-CZ 4.43Å; V59-F61 HydrophobicContact CG1-CD1 4.38Å; V59-F61 HydrophobicContact CG1-CE1 4.25Å; V59-F61 HydrophobicContact CG1-CZ 4.41Å; V59-F61 WeakPolarHBondContact O-CD2 3.35Å; V59-F61 PolarHBondContact O-N 2.83Å; F61-L83 HydrophobicContact CZ-CD2 4.28Å; F61-K225 HydrophobicContact CB-CG 4.21Å; F61-K225 HydrophobicContact CD2-CG 3.9Å; F61-K225 HydrophobicContact CG-CG 4.38Å; F61-Q228 HydrophobicContact CD1-CB 4.44Å; F61-Q228 HydrophobicContact CD1-CG 3.71Å; F61-Q228 HydrophobicContact CE1-CB 3.99Å; F61-Q228 HydrophobicContact CE1-CG 3.61Å; F61-Q228 HydrophobicContact CG-CG 4.38Å; F61-Q228 HydrophobicContact CZ-CB 4.08Å; F61-Q228 HydrophobicContact CZ-CG 4.2Å |
| 62 | E | 80.3 | Confident | 86.5 | Confident | 115 Ų | 115 | 49 Ų | 49 | 54% | 0.537 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -21.1 | 178 | -65.5 | 163.9 | -146.7 | 0 | 0 | 112.6 | N60 K225 M485 | N60-E62 PolarHBondContact O-N 2.72Å; N60-E62 VanDerWaalsContact O-N 3.14Å; N60-E62 WeakPolarHBondContact OD1-CB 3.5Å; N60-E62 PolarHBondContact OD1-N 3.03Å; N60-E62 VanDerWaalsContact OD1-N 3.09Å; E62-K225 IonicContact OE1-NZ 3.4Å; E62-K225 PolarHBondContact OE1-NZ 2.75Å; E62-M485 VanDerWaalsContact O-CB 3.28Å; E62-M485 WeakPolarHBondContact O-CB 3.41Å |
| 63 | Q | 83.6 | Confident | 86.6 | Confident | 91 Ų | 91 | 53.8 Ų | 53.8 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -138.9 | 29 | -177.1 | -62.7 | -174.2 | -4.3 | 0 | 0 | 112.5 | N60 H65 L66 E67 F483 | N60-Q63 CarbonylContact O-C 3.53Å; N60-Q63 PolarHBondContact O-N 2.64Å; N60-Q63 VanDerWaalsContact O-N 3.12Å; Q63-H65 PolarHBondContact O-N 2.86Å; Q63-H65 VanDerWaalsContact O-N 3.1Å; Q63-L66 PolarHBondContact O-N 3.49Å; Q63-E67 PolarHBondContact O-N 3.4Å; Q63-E67 VanDerWaalsContact O-N 3.17Å; Q63-F483 HydrophobicContact CG-CZ 4.46Å |
| 64 | S | 81.8 | Confident | 86.7 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 12% | 0.119 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.3 | -38.6 | -166.7 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | N60 L66 E67 I68 M485 | N60-S64 WeakPolarHBondContact O-CA 3.5Å; N60-S64 WeakPolarHBondContact O-CB 3.24Å; N60-S64 PolarHBondContact O-N 3.47Å; S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 3.29Å; S64-E67 PolarHBondContact O-N 2.89Å; S64-I68 WeakPolarHBondContact O-CB 3.43Å; S64-I68 VanDerWaalsContact O-CD1 3.31Å; S64-I68 WeakPolarHBondContact O-CD1 3.4Å; S64-I68 WeakPolarHBondContact O-CG1 3.5Å; S64-I68 PolarHBondContact O-N 3.47Å; S64-I68 VanDerWaalsContact O-N 3.09Å; S64-M485 WeakPolarHBondContact OG-CE 3.49Å |
| 65 | H | 81.1 | Confident | 86.7 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -25.6 | 179.5 | 70.9 | -81.1 | 0 | 0 | 0 | 114.5 | Q63 P377 F483 M485 I489 | Q63-H65 PolarHBondContact O-N 2.86Å; Q63-H65 VanDerWaalsContact O-N 3.1Å; H65-P377 HydrophobicContact CB-CB 3.53Å; H65-P377 HydrophobicContact CB-CG 3.84Å; H65-F483 AromaticContact CE1-CE2 3.58Å; H65-F483 AromaticContact CE1-CZ 3.45Å; H65-F483 VanDerWaalsContact CE1-CZ 3.45Å; H65-F483 WeakPolarHBondContact CE1-CZ 3.05Å; H65-F483 AromaticContact NE2-CZ 3.97Å; H65-M485 HydrophobicContact CB-CE 4.45Å; H65-M485 WeakPolarHBondContact ND1-CE 3.2Å; H65-I489 WeakPolarHBondContact CE1-CD1 3.36Å |
| 66 | L | 85.4 | Confident | 86.7 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -84.3 | -44.3 | 176.1 | -60.2 | 179.3 | 0 | 0 | 0 | 111.2 | Q63 S64 I68 Q69 F483 | Q63-L66 PolarHBondContact O-N 3.49Å; S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 3.29Å; L66-I68 VanDerWaalsContact C-N 3.26Å; L66-I68 PolarHBondContact O-N 3.04Å; L66-Q69 WeakPolarHBondContact O-CB 3.36Å; L66-Q69 WeakPolarHBondContact O-CG 3.5Å; L66-Q69 PolarHBondContact O-N 3.05Å; L66-Q69 VanDerWaalsContact O-N 3.14Å; L66-F483 HydrophobicContact CD1-CE1 4.17Å; L66-F483 HydrophobicContact CD1-CZ 3.94Å |
| 67 | E | 83.4 | Confident | 86.8 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.1 | -29.2 | -178.7 | -71.1 | -171.6 | -179.5 | 0 | 0 | 113.1 | N60 Q63 S64 Q69 Q70 F71 | N60-E67 HydrophobicContact CB-CG 4.37Å; N60-E67 WeakPolarHBondContact CB-OE1 3.49Å; N60-E67 WeakPolarHBondContact CB-OE2 3.07Å; N60-E67 PolarHBondContact N-OE2 2.86Å; N60-E67 PolarHBondContact ND2-OE1 3.33Å; Q63-E67 PolarHBondContact O-N 3.4Å; Q63-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 PolarHBondContact O-N 2.89Å; E67-Q69 PolarHBondContact O-N 2.91Å; E67-Q70 WeakPolarHBondContact O-CB 3.32Å; E67-Q70 PolarHBondContact O-N 3.31Å; E67-F71 WeakPolarHBondContact O-CD2 3.37Å |
| 68 | I | 84.8 | Confident | 87.1 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50.3 | -32.2 | 171.9 | -85.5 | 167.6 | 0 | 0 | 0 | 112.3 | S64 L66 Q70 F71 V72 F79 L90 L378 N404 | S64-I68 WeakPolarHBondContact O-CB 3.43Å; S64-I68 VanDerWaalsContact O-CD1 3.31Å; S64-I68 WeakPolarHBondContact O-CD1 3.4Å; S64-I68 WeakPolarHBondContact O-CG1 3.5Å; S64-I68 PolarHBondContact O-N 3.47Å; S64-I68 VanDerWaalsContact O-N 3.09Å; L66-I68 VanDerWaalsContact C-N 3.26Å; L66-I68 PolarHBondContact O-N 3.04Å; I68-Q70 VanDerWaalsContact C-N 3.25Å; I68-Q70 PolarHBondContact O-N 3.26Å; I68-F71 WeakPolarHBondContact O-CB 3.5Å; I68-F71 PolarHBondContact O-N 3.07Å; I68-F71 VanDerWaalsContact O-N 3.09Å; I68-V72 HydrophobicContact CG2-CG2 4.21Å; I68-V72 WeakPolarHBondContact O-CG2 3.43Å; I68-V72 PolarHBondContact O-N 3.24Å; I68-F79 HydrophobicContact CG1-CZ 4.49Å; I68-F79 HydrophobicContact CG2-CZ 4.44Å; I68-L90 HydrophobicContact CB-CD2 4.34Å; I68-L90 HydrophobicContact CD1-CD1 4.15Å; I68-L90 HydrophobicContact CD1-CD2 4.27Å; I68-L90 HydrophobicContact CG1-CD2 4.24Å; I68-L90 HydrophobicContact CG2-CD2 3.24Å; I68-L378 HydrophobicContact CD1-CD1 3.68Å; I68-L378 HydrophobicContact CD1-CD2 3.41Å; I68-L378 VanDerWaalsContact CD1-CD2 3.41Å; I68-L378 HydrophobicContact CD1-CG 4.19Å; I68-N404 WeakPolarHBondContact CG2-ND2 3.43Å |
| 69 | Q | 83.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -34.6 | 177.1 | -62.6 | -61.8 | -17.9 | 0 | 0 | 112.9 | L66 E67 F71 V72 K73 A407 | L66-Q69 WeakPolarHBondContact O-CB 3.36Å; L66-Q69 WeakPolarHBondContact O-CG 3.5Å; L66-Q69 PolarHBondContact O-N 3.05Å; L66-Q69 VanDerWaalsContact O-N 3.14Å; E67-Q69 PolarHBondContact O-N 2.91Å; Q69-F71 VanDerWaalsContact C-N 3.33Å; Q69-V72 PolarHBondContact O-N 3.35Å; Q69-K73 WeakPolarHBondContact O-CG 3.32Å; Q69-K73 PolarHBondContact O-N 3.12Å; Q69-A407 VanDerWaalsContact NE2-CA 3.3Å; Q69-A407 VanDerWaalsContact NE2-CB 3.34Å |
| 70 | Q | 86.9 | Confident | 87.9 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | 177.1 | -57.2 | -178.1 | 6.7 | 0 | 0 | 110.8 | E67 I68 K73 K74 | E67-Q70 WeakPolarHBondContact O-CB 3.32Å; E67-Q70 PolarHBondContact O-N 3.31Å; I68-Q70 VanDerWaalsContact C-N 3.25Å; I68-Q70 PolarHBondContact O-N 3.26Å; Q70-K73 PolarHBondContact O-N 3.02Å; Q70-K74 WeakPolarHBondContact O-CB 3.42Å; Q70-K74 PolarHBondContact O-N 3.38Å |
| 71 | F | 89.5 | Confident | 88.3 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | 173.8 | -67.8 | -77.7 | 0 | 0 | 0 | 111.8 | P47 H58 E67 I68 Q69 K73 K74 Y75 F79 | P47-F71 HydrophobicContact CB-CE1 4.11Å; P47-F71 HydrophobicContact CG-CD1 4.19Å; P47-F71 HydrophobicContact CG-CE1 3.7Å; H58-F71 HydrophobicContact CB-CZ 4.28Å; H58-F71 WeakPolarHBondContact O-CZ 3.24Å; E67-F71 WeakPolarHBondContact O-CD2 3.37Å; I68-F71 WeakPolarHBondContact O-CB 3.5Å; I68-F71 PolarHBondContact O-N 3.07Å; I68-F71 VanDerWaalsContact O-N 3.09Å; Q69-F71 VanDerWaalsContact C-N 3.33Å; F71-K73 VanDerWaalsContact C-N 3.34Å; F71-K73 PolarHBondContact O-N 3.14Å; F71-K74 PolarHBondContact O-N 3.06Å; F71-K74 VanDerWaalsContact O-N 3.13Å; F71-Y75 HydrophobicContact CB-CD2 4.31Å; F71-Y75 HydrophobicContact CD1-CD2 4Å; F71-Y75 AromaticContact CD1-CE2 3.78Å; F71-Y75 HydrophobicContact CD1-CE2 3.78Å; F71-Y75 HydrophobicContact CE1-CE2 4.42Å; F71-Y75 WeakPolarHBondContact O-CB 3.5Å; F71-Y75 WeakPolarHBondContact O-CD2 3.37Å; F71-Y75 PolarHBondContact O-N 3.04Å; F71-F79 HydrophobicContact CB-CD1 4.26Å; F71-F79 HydrophobicContact CB-CD2 4.22Å; F71-F79 HydrophobicContact CB-CE1 3.62Å; F71-F79 HydrophobicContact CB-CE2 3.61Å; F71-F79 HydrophobicContact CB-CZ 3.28Å; F71-F79 HydrophobicContact CD1-CE2 4.43Å; F71-F79 HydrophobicContact CG-CE2 4.03Å; F71-F79 HydrophobicContact CG-CZ 4.05Å |
| 72 | V | 89.4 | Confident | 88.9 | Confident | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | I68 Q69 K74 G76 F79 L90 T92 | I68-V72 HydrophobicContact CG2-CG2 4.21Å; I68-V72 WeakPolarHBondContact O-CG2 3.43Å; I68-V72 PolarHBondContact O-N 3.24Å; Q69-V72 PolarHBondContact O-N 3.35Å; V72-K74 PolarHBondContact O-N 3.44Å; V72-G76 WeakPolarHBondContact CA-O 3.41Å; V72-G76 CarbonylContact O-C 3.58Å; V72-G76 WeakPolarHBondContact O-CA 3.48Å; V72-G76 PolarHBondContact O-N 3.29Å; V72-F79 HydrophobicContact CG2-CD1 4.47Å; V72-F79 HydrophobicContact CG2-CE1 3.84Å; V72-L90 HydrophobicContact CG2-CD2 4.48Å; V72-T92 HydrophobicContact CG1-CG2 4.37Å; V72-T92 HydrophobicContact CG2-CG2 4.39Å; V72-T92 WeakPolarHBondContact CG2-OG1 3.39Å |
| 73 | K | 89 | Confident | 89.3 | Confident | 184 Ų | 184 | 51 Ų | 51 | 80% | 0.8 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60 | -33.1 | 176.9 | -74.2 | 177.6 | -178.1 | -177.5 | 0 | 113.2 | Q69 Q70 F71 | Q69-K73 WeakPolarHBondContact O-CG 3.32Å; Q69-K73 PolarHBondContact O-N 3.12Å; Q70-K73 PolarHBondContact O-N 3.02Å; F71-K73 VanDerWaalsContact C-N 3.34Å; F71-K73 PolarHBondContact O-N 3.14Å |
| 74 | K | 93.6 | Very high | 89.6 | Confident | 155 Ų | 155 | 46.8 Ų | 46.8 | 67% | 0.674 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -89.4 | -39.7 | -175.7 | -175.7 | 173.2 | 179.2 | -175.1 | 0 | 113.9 | Q70 F71 V72 | Q70-K74 WeakPolarHBondContact O-CB 3.42Å; Q70-K74 PolarHBondContact O-N 3.38Å; F71-K74 PolarHBondContact O-N 3.06Å; F71-K74 VanDerWaalsContact O-N 3.13Å; V72-K74 PolarHBondContact O-N 3.44Å |
| 75 | Y | 93.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -111.7 | -8.7 | -170.5 | -61.5 | -70.1 | 0 | 0 | 0 | 113.3 | P45 P47 F71 F79 | P45-Y75 HydrophobicContact CB-CD1 4.13Å; P47-Y75 WeakPolarHBondContact CA-OH 3.5Å; F71-Y75 HydrophobicContact CB-CD2 4.31Å; F71-Y75 HydrophobicContact CD1-CD2 4Å; F71-Y75 AromaticContact CD1-CE2 3.78Å; F71-Y75 HydrophobicContact CD1-CE2 3.78Å; F71-Y75 HydrophobicContact CE1-CE2 4.42Å; F71-Y75 WeakPolarHBondContact O-CB 3.5Å; F71-Y75 WeakPolarHBondContact O-CD2 3.37Å; F71-Y75 PolarHBondContact O-N 3.04Å; Y75-F79 HydrophobicContact CG-CB 4.38Å |
| 76 | G | 92.5 | Very high | 90.2 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | trans | 91.2 | -171.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V72 L78 | V72-G76 WeakPolarHBondContact CA-O 3.41Å; V72-G76 CarbonylContact O-C 3.58Å; V72-G76 WeakPolarHBondContact O-CA 3.48Å; V72-G76 PolarHBondContact O-N 3.29Å; G76-L78 PolarHBondContact O-N 3.07Å; G76-L78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | N | 93.6 | Very high | 90.6 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -72.3 | -5.6 | -173.2 | -69.9 | -20.9 | 0 | 0 | 0 | 114.6 | T92 L96 | N77-T92 PolarHBondContact O-N 3.2Å; N77-L96 HydrophobicContact CB-CD1 3.86Å |
| 78 | L | 95.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 113.7 | 179.2 | -165.6 | 164 | 0 | 0 | 0 | 108.9 | P44 G76 V89 L90 I91 L96 L390 A391 Y393 | P44-L78 HydrophobicContact CB-CD2 3.32Å; P44-L78 HydrophobicContact CG-CD2 3.2Å; G76-L78 PolarHBondContact O-N 3.07Å; G76-L78 VanDerWaalsContact O-N 3.16Å; L78-V89 HydrophobicContact CD2-CG1 3.67Å; L78-V89 HydrophobicContact CG-CG1 4.09Å; L78-L90 WeakPolarHBondContact CA-O 3.24Å; L78-I91 HydrophobicContact CD1-CG2 4.41Å; L78-I91 HydrophobicContact CG-CG2 4.25Å; L78-L96 HydrophobicContact CB-CD1 4.24Å; L78-L390 HydrophobicContact CD1-CB 4.48Å; L78-L390 HydrophobicContact CD1-CD2 3.98Å; L78-L390 HydrophobicContact CD1-CG 3.94Å; L78-A391 HydrophobicContact CD1-CB 3.86Å; L78-Y393 HydrophobicContact CD1-CD2 4.29Å; L78-Y393 HydrophobicContact CD2-CD2 3.97Å; L78-Y393 HydrophobicContact CD2-CG 4.45Å |
| 79 | F | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.9 | -179.8 | 73 | -96 | 0 | 0 | 0 | 112.7 | P45 I68 F71 V72 Y75 L81 V89 L90 | P45-F79 CarbonylContact O-C 3.49Å; P45-F79 WeakPolarHBondContact O-CA 3.39Å; P45-F79 VanDerWaalsContact O-CB 3.24Å; P45-F79 WeakPolarHBondContact O-CB 3.46Å; I68-F79 HydrophobicContact CG1-CZ 4.49Å; I68-F79 HydrophobicContact CG2-CZ 4.44Å; F71-F79 HydrophobicContact CB-CD1 4.26Å; F71-F79 HydrophobicContact CB-CD2 4.22Å; F71-F79 HydrophobicContact CB-CE1 3.62Å; F71-F79 HydrophobicContact CB-CE2 3.61Å; F71-F79 HydrophobicContact CB-CZ 3.28Å; F71-F79 HydrophobicContact CD1-CE2 4.43Å; F71-F79 HydrophobicContact CG-CE2 4.03Å; F71-F79 HydrophobicContact CG-CZ 4.05Å; V72-F79 HydrophobicContact CG2-CD1 4.47Å; V72-F79 HydrophobicContact CG2-CE1 3.84Å; Y75-F79 HydrophobicContact CG-CB 4.38Å; F79-L81 HydrophobicContact CD2-CD2 4.37Å; F79-L81 HydrophobicContact CD2-CG 4.15Å; F79-L81 HydrophobicContact CE2-CD1 3.87Å; F79-L81 HydrophobicContact CE2-CD2 3.96Å; F79-L81 HydrophobicContact CE2-CG 3.69Å; F79-V89 CarbonylContact O-C 3.46Å; F79-V89 WeakPolarHBondContact O-CA 3.5Å; F79-L90 HydrophobicContact CD1-CB 4.38Å; F79-L90 HydrophobicContact CD1-CD2 4.24Å; F79-L90 HydrophobicContact CE1-CB 4Å; F79-L90 HydrophobicContact CE1-CD2 3.26Å; F79-L90 HydrophobicContact CE1-CG 4.24Å; F79-L90 HydrophobicContact CE2-CB 4.27Å; F79-L90 HydrophobicContact CE2-CD2 4.44Å; F79-L90 HydrophobicContact CZ-CB 3.92Å; F79-L90 HydrophobicContact CZ-CD2 3.37Å; F79-L90 HydrophobicContact CZ-CG 4.29Å; F79-L90 PolarHBondContact N-O 3.07Å; F79-L90 PolarHBondContact O-N 3.37Å |
| 80 | S | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.3 | -179 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | R39 P44 P45 G46 A88 | R39-S80 VanDerWaalsContact CZ-OG 3.24Å; R39-S80 PolarHBondContact NE-OG 3.08Å; R39-S80 VanDerWaalsContact NE-OG 3.16Å; R39-S80 PolarHBondContact NH2-OG 3.16Å; P44-S80 PolarHBondContact O-OG 2.88Å; P45-S80 PolarHBondContact O-N 3.47Å; P45-S80 PolarHBondContact O-OG 3.25Å; G46-S80 WeakPolarHBondContact CA-O 3.49Å; S80-A88 CarbonylContact C-O 3.6Å; S80-A88 VanDerWaalsContact CA-O 3.3Å; S80-A88 WeakPolarHBondContact CA-O 3.43Å |
| 81 | L | 94.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.6 | 170.6 | -66.1 | 174.8 | 0 | 0 | 0 | 108.8 | P47 N55 V59 F79 A88 | P47-L81 HydrophobicContact CG-CD2 3.64Å; N55-L81 HydrophobicContact CB-CD2 4.18Å; V59-L81 HydrophobicContact CG2-CD1 4.22Å; F79-L81 HydrophobicContact CD2-CD2 4.37Å; F79-L81 HydrophobicContact CD2-CG 4.15Å; F79-L81 HydrophobicContact CE2-CD1 3.87Å; F79-L81 HydrophobicContact CE2-CD2 3.96Å; F79-L81 HydrophobicContact CE2-CG 3.69Å; L81-A88 PolarHBondContact N-O 3.15Å; L81-A88 PolarHBondContact O-N 3.04Å; L81-A88 VanDerWaalsContact O-O 3.1Å |
| 82 | E | 93.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.5 | 174.4 | -54.1 | -58.6 | 151.3 | 0 | 0 | 109.1 | P49 G54 N55 S87 | P49-E82 HydrophobicContact CB-CB 4.09Å; P49-E82 HydrophobicContact CB-CG 4.08Å; P49-E82 HydrophobicContact CG-CG 4.31Å; G54-E82 CarbonylContact C-O 3.51Å; G54-E82 WeakPolarHBondContact CA-O 3.31Å; N55-E82 WeakPolarHBondContact CB-O 3.33Å; N55-E82 PolarHBondContact N-O 3.48Å; N55-E82 PolarHBondContact OD1-N 2.82Å; E82-S87 VanDerWaalsContact OE2-CA 3.3Å; E82-S87 WeakPolarHBondContact OE2-CA 3.43Å; E82-S87 VanDerWaalsContact OE2-CB 3.26Å; E82-S87 WeakPolarHBondContact OE2-CB 3.32Å; E82-S87 PolarHBondContact OE2-OG 3.09Å |
| 83 | L | 90.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 92.8 | 174.7 | -67.1 | 176.1 | 0 | 0 | 0 | 108.8 | F61 D85 I86 | F61-L83 HydrophobicContact CZ-CD2 4.28Å; L83-D85 PolarHBondContact O-N 2.69Å; L83-I86 HydrophobicContact CB-CB 4.49Å; L83-I86 PolarHBondContact N-O 3.01Å; L83-I86 WeakPolarHBondContact O-CB 3.36Å; L83-I86 PolarHBondContact O-N 3.33Å |
| 84 | G | 88.4 | Confident | 93.6 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -122.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R37 V53 I86 | R37-G84 PolarHBondContact NH1-O 3Å; V53-G84 PolarHBondContact O-N 3.08Å; G84-I86 VanDerWaalsContact C-N 3.32Å |
| 85 | D | 86.6 | Confident | 93.7 | Very high | 110 Ų | 110 | 27.7 Ų | 27.7 | 59% | 0.588 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.1 | 176.5 | -74.3 | -13.9 | 0 | 0 | 0 | 113.3 | K36 R37 L83 | K36-D85 IonicContact NZ-OD1 2.8Å; K36-D85 PolarHBondContact NZ-OD1 3.14Å; K36-D85 IonicContact NZ-OD2 3.03Å; K36-D85 PolarHBondContact NZ-OD2 3.01Å; R37-D85 IonicContact NH2-OD1 2.92Å; L83-D85 PolarHBondContact O-N 2.69Å |
| 86 | I | 90.3 | Very high | 93.8 | Very high | 35 Ų | 35 | 26.4 Ų | 26.4 | 18% | 0.179 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 110.5 | 179.7 | -57.9 | 168.7 | 0 | 0 | 0 | 109.1 | L83 G84 T114 N231 M400 | L83-I86 HydrophobicContact CB-CB 4.49Å; L83-I86 PolarHBondContact N-O 3.01Å; L83-I86 WeakPolarHBondContact O-CB 3.36Å; L83-I86 PolarHBondContact O-N 3.33Å; G84-I86 VanDerWaalsContact C-N 3.32Å; I86-T114 HydrophobicContact CD1-CG2 4Å; I86-N231 HydrophobicContact CD1-CB 4.15Å; I86-M400 HydrophobicContact CG2-CE 3.5Å; I86-M400 HydrophobicContact CG2-SD 4.38Å |
| 87 | S | 93.5 | Very high | 94.1 | Very high | 42 Ų | 42 | 24.9 Ų | 24.9 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.3 | 171 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | E82 M400 | E82-S87 VanDerWaalsContact OE2-CA 3.3Å; E82-S87 WeakPolarHBondContact OE2-CA 3.43Å; E82-S87 VanDerWaalsContact OE2-CB 3.26Å; E82-S87 WeakPolarHBondContact OE2-CB 3.32Å; E82-S87 PolarHBondContact OE2-OG 3.09Å; S87-M400 PolarHBondContact O-N 3.07Å |
| 88 | A | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S80 L81 M400 L402 | S80-A88 CarbonylContact C-O 3.6Å; S80-A88 VanDerWaalsContact CA-O 3.3Å; S80-A88 WeakPolarHBondContact CA-O 3.43Å; L81-A88 PolarHBondContact N-O 3.15Å; L81-A88 PolarHBondContact O-N 3.04Å; L81-A88 VanDerWaalsContact O-O 3.1Å; A88-M400 CarbonylContact C-O 3.56Å; A88-M400 WeakPolarHBondContact CA-O 3.44Å; A88-M400 HydrophobicContact CB-CB 4.16Å; A88-M400 HydrophobicContact CB-CG 4.39Å; A88-M400 HydrophobicContact CB-SD 4.25Å; A88-L402 HydrophobicContact CB-CD1 4.37Å |
| 89 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.9 | 172.4 | 170 | 0 | 0 | 0 | 0 | 108.4 | Y43 P44 L78 F79 I91 L395 T399 M400 I401 L402 | Y43-V89 HydrophobicContact CE1-CG2 4.5Å; Y43-V89 HydrophobicContact CE2-CG2 4.45Å; Y43-V89 WeakPolarHBondContact OH-CG2 3.23Å; P44-V89 HydrophobicContact CB-CG2 4.43Å; P44-V89 HydrophobicContact CG-CG1 4.22Å; P44-V89 HydrophobicContact CG-CG2 3.94Å; L78-V89 HydrophobicContact CD2-CG1 3.67Å; L78-V89 HydrophobicContact CG-CG1 4.09Å; F79-V89 CarbonylContact O-C 3.46Å; F79-V89 WeakPolarHBondContact O-CA 3.5Å; V89-I91 HydrophobicContact CG1-CG2 4.41Å; V89-L395 HydrophobicContact CB-CD2 4.5Å; V89-L395 HydrophobicContact CG1-CD2 4.48Å; V89-L395 HydrophobicContact CG2-CD2 3.82Å; V89-T399 HydrophobicContact CB-CG2 4.22Å; V89-T399 HydrophobicContact CG2-CG2 3.76Å; V89-M400 PolarHBondContact N-O 3.32Å; V89-I401 HydrophobicContact CB-CD1 3.99Å; V89-I401 HydrophobicContact CG1-CD1 4.4Å; V89-I401 CarbonylContact O-C 3.5Å; V89-I401 WeakPolarHBondContact O-CA 3.34Å; V89-L402 PolarHBondContact O-N 3.49Å |
| 90 | L | 96.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131 | 174.4 | -171.4 | 88.1 | 0 | 0 | 0 | 109.5 | I68 V72 L78 F79 L378 L402 N404 | I68-L90 HydrophobicContact CB-CD2 4.34Å; I68-L90 HydrophobicContact CD1-CD1 4.15Å; I68-L90 HydrophobicContact CD1-CD2 4.27Å; I68-L90 HydrophobicContact CG1-CD2 4.24Å; I68-L90 HydrophobicContact CG2-CD2 3.24Å; V72-L90 HydrophobicContact CG2-CD2 4.48Å; L78-L90 WeakPolarHBondContact CA-O 3.24Å; F79-L90 HydrophobicContact CD1-CB 4.38Å; F79-L90 HydrophobicContact CD1-CD2 4.24Å; F79-L90 HydrophobicContact CE1-CB 4Å; F79-L90 HydrophobicContact CE1-CD2 3.26Å; F79-L90 HydrophobicContact CE1-CG 4.24Å; F79-L90 HydrophobicContact CE2-CB 4.27Å; F79-L90 HydrophobicContact CE2-CD2 4.44Å; F79-L90 HydrophobicContact CZ-CB 3.92Å; F79-L90 HydrophobicContact CZ-CD2 3.37Å; F79-L90 HydrophobicContact CZ-CG 4.29Å; F79-L90 PolarHBondContact N-O 3.07Å; F79-L90 PolarHBondContact O-N 3.37Å; L90-L378 HydrophobicContact CD1-CD2 4.07Å; L90-L402 WeakPolarHBondContact CA-O 3.33Å; L90-L402 HydrophobicContact CD1-CB 3.58Å; L90-N404 HydrophobicContact CD1-CB 4.15Å; L90-N404 HydrophobicContact CD2-CB 3.98Å; L90-N404 HydrophobicContact CG-CB 4.17Å |
| 91 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.4 | 172.3 | 63.5 | 175.3 | 0 | 0 | 0 | 110.6 | L78 V89 I97 A100 L390 I401 L402 N404 | L78-I91 HydrophobicContact CD1-CG2 4.41Å; L78-I91 HydrophobicContact CG-CG2 4.25Å; V89-I91 HydrophobicContact CG1-CG2 4.41Å; I91-I97 HydrophobicContact CD1-CG1 4.18Å; I91-I97 HydrophobicContact CG1-CG1 4.26Å; I91-A100 HydrophobicContact CD1-CB 3.63Å; I91-L390 HydrophobicContact CG2-CD2 3.86Å; I91-I401 HydrophobicContact CD1-CG2 3.97Å; I91-I401 HydrophobicContact CG1-CG2 4.18Å; I91-I401 HydrophobicContact CG2-CG2 4.33Å; I91-L402 WeakPolarHBondContact CG1-O 3.41Å; I91-L402 PolarHBondContact N-O 2.92Å; I91-N404 PolarHBondContact O-N 2.76Å |
| 92 | T | 94.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | trans | -129.3 | 143.6 | -179.4 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | V72 N77 N404 A407 | V72-T92 HydrophobicContact CG1-CG2 4.37Å; V72-T92 HydrophobicContact CG2-CG2 4.39Å; V72-T92 WeakPolarHBondContact CG2-OG1 3.39Å; N77-T92 PolarHBondContact O-N 3.2Å; T92-N404 HydrophobicContact CG2-CB 4.32Å; T92-N404 VanDerWaalsContact OG1-CB 3.29Å; T92-N404 WeakPolarHBondContact OG1-CB 3.09Å; T92-N404 PolarHBondContact OG1-ND2 2.71Å; T92-A407 HydrophobicContact CG2-CB 3.37Å | ||
| 93 | G | 93.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 92.2 | 142 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L96 I97 | G93-L96 PolarHBondContact O-N 3.49Å; G93-I97 WeakPolarHBondContact O-CD1 3.45Å; G93-I97 WeakPolarHBondContact O-CG1 3.49Å; G93-I97 PolarHBondContact O-N 2.85Å; G93-I97 VanDerWaalsContact O-N 3.12Å |
| 94 | L | 95.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | -172.1 | -172.8 | 61 | 0 | 0 | 0 | 114.2 | I97 K98 L408 E436 L439 | L94-I97 PolarHBondContact O-N 3.36Å; L94-K98 HydrophobicContact CD1-CD 4.43Å; L94-K98 HydrophobicContact CD1-CG 4.2Å; L94-K98 HydrophobicContact CG-CD 4.3Å; L94-K98 HydrophobicContact CG-CG 4.44Å; L94-K98 WeakPolarHBondContact O-CG 3.05Å; L94-K98 PolarHBondContact O-N 3.23Å; L94-L408 HydrophobicContact CB-CD1 3.87Å; L94-L408 HydrophobicContact CD1-CD2 4.48Å; L94-E436 HydrophobicContact CD2-CB 3.99Å; L94-L439 HydrophobicContact CD1-CD1 3.97Å |
| 95 | P | 96 | Very high | 95 | Very high | 102 Ų | 102 | 36.3 Ų | 36.3 | 66% | 0.662 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -60.8 | -48.1 | -179.8 | -25.4 | 36.2 | 0 | 0 | 0 | 113.1 | I97 K98 E99 | P95-I97 VanDerWaalsContact C-N 3.33Å; P95-I97 PolarHBondContact O-N 3.17Å; P95-K98 PolarHBondContact O-N 3.28Å; P95-E99 WeakPolarHBondContact O-CB 3.49Å; P95-E99 PolarHBondContact O-N 3.34Å |
| 96 | L | 96 | Very high | 95.2 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 178.7 | -70.8 | -177.6 | 0 | 0 | 0 | 112.1 | N77 L78 G93 E99 A100 A391 | N77-L96 HydrophobicContact CB-CD1 3.86Å; L78-L96 HydrophobicContact CB-CD1 4.24Å; G93-L96 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 3Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.44Å; L96-A391 HydrophobicContact CD2-CB 3.63Å |
| 97 | I | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.5 | -65.9 | 169.5 | 0 | 0 | 0 | 110.6 | I91 G93 L94 P95 L101 T403 L408 L439 I443 | I91-I97 HydrophobicContact CD1-CG1 4.18Å; I91-I97 HydrophobicContact CG1-CG1 4.26Å; G93-I97 WeakPolarHBondContact O-CD1 3.45Å; G93-I97 WeakPolarHBondContact O-CG1 3.49Å; G93-I97 PolarHBondContact O-N 2.85Å; G93-I97 VanDerWaalsContact O-N 3.12Å; L94-I97 PolarHBondContact O-N 3.36Å; P95-I97 VanDerWaalsContact C-N 3.33Å; P95-I97 PolarHBondContact O-N 3.17Å; I97-L101 HydrophobicContact CG2-CD1 3.87Å; I97-L101 HydrophobicContact CG2-CG 4.35Å; I97-L101 VanDerWaalsContact O-CB 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.49Å; I97-L101 WeakPolarHBondContact O-CG 3.5Å; I97-L101 PolarHBondContact O-N 3.27Å; I97-T403 HydrophobicContact CB-CG2 4.45Å; I97-T403 HydrophobicContact CD1-CG2 3.44Å; I97-T403 VanDerWaalsContact CD1-CG2 3.44Å; I97-T403 HydrophobicContact CG1-CG2 3.59Å; I97-T403 HydrophobicContact CG2-CG2 4Å; I97-L408 HydrophobicContact CD1-CD2 4.06Å; I97-L439 HydrophobicContact CG2-CD1 4.1Å; I97-I443 HydrophobicContact CG2-CD1 3.89Å; I97-I443 HydrophobicContact CG2-CG1 4.46Å |
| 98 | K | 97.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 27% | 0.265 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.5 | -74.4 | -175.5 | 178.1 | 178.4 | 0 | 111.7 | L94 P95 I102 H103 E436 I443 | L94-K98 HydrophobicContact CD1-CD 4.43Å; L94-K98 HydrophobicContact CD1-CG 4.2Å; L94-K98 HydrophobicContact CG-CD 4.3Å; L94-K98 HydrophobicContact CG-CG 4.44Å; L94-K98 WeakPolarHBondContact O-CG 3.05Å; L94-K98 PolarHBondContact O-N 3.23Å; P95-K98 PolarHBondContact O-N 3.28Å; K98-I102 HydrophobicContact CG-CD1 4.2Å; K98-I102 WeakPolarHBondContact O-CA 3.02Å; K98-I102 VanDerWaalsContact O-CB 3.28Å; K98-I102 WeakPolarHBondContact O-CB 3.36Å; K98-I102 PolarHBondContact O-N 2.86Å; K98-H103 PolarHBondContact O-N 3.38Å; K98-H103 VanDerWaalsContact O-N 3.09Å; K98-E436 IonicContact NZ-OE2 3.4Å; K98-E436 PolarHBondContact NZ-OE2 3.32Å; K98-I443 HydrophobicContact CG-CD1 4.14Å |
| 99 | E | 97 | Very high | 95.3 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -57 | -52.3 | 176.2 | -171.8 | -178.8 | 170 | 0 | 0 | 111 | P95 L96 H103 M104 L390 | P95-E99 WeakPolarHBondContact O-CB 3.49Å; P95-E99 PolarHBondContact O-N 3.34Å; L96-E99 PolarHBondContact O-N 3Å; E99-H103 WeakPolarHBondContact O-CB 3.31Å; E99-H103 PolarHBondContact O-N 3.48Å; E99-M104 HydrophobicContact CG-SD 4.18Å; E99-M104 WeakPolarHBondContact O-CB 3.34Å; E99-M104 WeakPolarHBondContact O-CG 3.27Å; E99-M104 PolarHBondContact O-N 3.17Å; E99-L390 HydrophobicContact CB-CD1 4.34Å; E99-L390 HydrophobicContact CG-CD1 3.88Å |
| 100 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -69.3 | -45.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I91 L96 M104 F108 L390 | I91-A100 HydrophobicContact CD1-CB 3.63Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.44Å; A100-M104 CarbonylContact O-C 3.41Å; A100-F108 HydrophobicContact CB-CD2 4.12Å; A100-F108 HydrophobicContact CB-CE2 4.21Å; A100-F108 VanDerWaalsContact O-CD2 3.29Å; A100-F108 WeakPolarHBondContact O-CD2 2.96Å; A100-L390 HydrophobicContact CB-CD1 4.29Å; A100-L390 HydrophobicContact CB-CD2 4.18Å |
| 101 | L | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -93.4 | -21.3 | -168.6 | -58 | -171.7 | 0 | 0 | 0 | 114.6 | I97 R382 I443 | I97-L101 HydrophobicContact CG2-CD1 3.87Å; I97-L101 HydrophobicContact CG2-CG 4.35Å; I97-L101 VanDerWaalsContact O-CB 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.49Å; I97-L101 WeakPolarHBondContact O-CG 3.5Å; I97-L101 PolarHBondContact O-N 3.27Å; L101-R382 HydrophobicContact CD2-CG 3.89Å; L101-I443 HydrophobicContact CB-CD1 4.34Å; L101-I443 HydrophobicContact CB-CG1 3.84Å; L101-I443 HydrophobicContact CD1-CG1 3.98Å |
| 102 | I | 96.3 | Very high | 95 | Very high | 72 Ų | 72 | 40 Ų | 40 | 37% | 0.369 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -109.7 | -59.7 | 178.2 | -56.5 | -177.9 | 0 | 0 | 0 | 110.3 | K98 D105 I443 | K98-I102 HydrophobicContact CG-CD1 4.2Å; K98-I102 WeakPolarHBondContact O-CA 3.02Å; K98-I102 VanDerWaalsContact O-CB 3.28Å; K98-I102 WeakPolarHBondContact O-CB 3.36Å; K98-I102 PolarHBondContact O-N 2.86Å; I102-D105 WeakPolarHBondContact O-CB 3.27Å; I102-I443 HydrophobicContact CD1-CD1 3.84Å; I102-I443 HydrophobicContact CD1-CG1 4.42Å; I102-I443 HydrophobicContact CG1-CD1 3.91Å; I102-I443 HydrophobicContact CG1-CG1 4.18Å |
| 103 | H | 96.4 | Very high | 94.9 | Very high | 144 Ų | 144 | 42.5 Ų | 42.5 | 67% | 0.667 | 22% | 0.221 | S | C | * | . | I | π-helix | trans | -72.9 | -34.2 | -170.9 | -56 | 164.7 | 0 | 0 | 0 | 112.3 | K98 E99 | K98-H103 PolarHBondContact O-N 3.38Å; K98-H103 VanDerWaalsContact O-N 3.09Å; E99-H103 WeakPolarHBondContact O-CB 3.31Å; E99-H103 PolarHBondContact O-N 3.48Å |
| 104 | M | 95.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 30.3 | 179 | -60 | 179.4 | 72.1 | 0 | 0 | 112.4 | E99 A100 Q106 N107 F108 T388 T389 L390 | E99-M104 HydrophobicContact CG-SD 4.18Å; E99-M104 WeakPolarHBondContact O-CB 3.34Å; E99-M104 WeakPolarHBondContact O-CG 3.27Å; E99-M104 PolarHBondContact O-N 3.17Å; A100-M104 CarbonylContact O-C 3.41Å; M104-Q106 PolarHBondContact O-N 2.63Å; M104-Q106 VanDerWaalsContact O-N 3.1Å; M104-N107 HydrophobicContact CB-CB 4.36Å; M104-N107 HydrophobicContact CE-CB 4.45Å; M104-N107 WeakPolarHBondContact O-CA 3.15Å; M104-N107 WeakPolarHBondContact O-CB 3.47Å; M104-N107 PolarHBondContact O-N 3.44Å; M104-F108 HydrophobicContact CB-CD2 3.78Å; M104-F108 HydrophobicContact CB-CE2 3.84Å; M104-F108 HydrophobicContact CE-CE2 3.79Å; M104-F108 HydrophobicContact CE-CZ 4.34Å; M104-F108 PolarHBondContact O-N 3.49Å; M104-F108 VanDerWaalsContact O-N 3.1Å; M104-F108 HydrophobicContact SD-CE2 3.94Å; M104-T388 HydrophobicContact CE-CG2 4.22Å; M104-T388 WeakPolarHBondContact CE-OG1 3.35Å; M104-T389 VanDerWaalsContact CE-O 3.29Å; M104-T389 WeakPolarHBondContact CE-O 3.26Å; M104-L390 HydrophobicContact SD-CD1 3.89Å |
| 105 | D | 90.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.9 | -170.7 | 73.6 | -2.7 | 0 | 0 | 0 | 114.7 | I102 G109 K445 | I102-D105 WeakPolarHBondContact O-CB 3.27Å; D105-G109 WeakPolarHBondContact O-CA 3.19Å; D105-G109 PolarHBondContact O-N 3.02Å; D105-G109 VanDerWaalsContact O-N 3.16Å; D105-K445 HydrophobicContact CB-CD 4.49Å; D105-K445 IonicContact OD1-NZ 3.33Å; D105-K445 PolarHBondContact OD1-NZ 3.08Å; D105-K445 WeakPolarHBondContact OD2-CD 3.32Å; D105-K445 WeakPolarHBondContact OD2-CE 3.48Å; D105-K445 VanDerWaalsContact OD2-CG 3.25Å; D105-K445 WeakPolarHBondContact OD2-CG 3.27Å; D105-K445 IonicContact OD2-NZ 3.53Å; D105-K445 PolarHBondContact OD2-NZ 3.37Å |
| 106 | Q | 91.6 | Very high | 94.7 | Very high | 147 Ų | 147 | 38.4 Ų | 38.4 | 69% | 0.687 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -34.3 | 174.8 | -55.2 | -168.5 | 11.4 | 0 | 0 | 111.7 | M104 T385 | M104-Q106 PolarHBondContact O-N 2.63Å; M104-Q106 VanDerWaalsContact O-N 3.1Å; Q106-T385 PolarHBondContact O-OG1 3.44Å |
| 107 | N | 95.6 | Very high | 94.5 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -29.2 | -179.2 | -59.3 | 8.7 | 0 | 0 | 0 | 110.7 | M104 A384 T385 V386 T388 | M104-N107 HydrophobicContact CB-CB 4.36Å; M104-N107 HydrophobicContact CE-CB 4.45Å; M104-N107 WeakPolarHBondContact O-CA 3.15Å; M104-N107 WeakPolarHBondContact O-CB 3.47Å; M104-N107 PolarHBondContact O-N 3.44Å; N107-A384 CarbonylContact O-C 3.53Å; N107-A384 VanDerWaalsContact O-CA 3.27Å; N107-A384 WeakPolarHBondContact O-CA 3.29Å; N107-T385 WeakPolarHBondContact CA-OG1 3.5Å; N107-T385 PolarHBondContact O-N 2.73Å; N107-T385 PolarHBondContact O-OG1 3.34Å; N107-V386 HydrophobicContact CB-CG2 4.37Å; N107-T388 PolarHBondContact ND2-OG1 3.36Å |
| 108 | F | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 32 | 179.2 | -57.4 | -68.8 | 0 | 0 | 0 | 113.2 | A100 M104 R382 A384 T388 L390 L395 I401 | A100-F108 HydrophobicContact CB-CD2 4.12Å; A100-F108 HydrophobicContact CB-CE2 4.21Å; A100-F108 VanDerWaalsContact O-CD2 3.29Å; A100-F108 WeakPolarHBondContact O-CD2 2.96Å; M104-F108 HydrophobicContact CB-CD2 3.78Å; M104-F108 HydrophobicContact CB-CE2 3.84Å; M104-F108 HydrophobicContact CE-CE2 3.79Å; M104-F108 HydrophobicContact CE-CZ 4.34Å; M104-F108 PolarHBondContact O-N 3.49Å; M104-F108 VanDerWaalsContact O-N 3.1Å; M104-F108 HydrophobicContact SD-CE2 3.94Å; F108-R382 HydrophobicContact CB-CB 4.39Å; F108-R382 WeakPolarHBondContact O-CD 3.46Å; F108-R382 PolarHBondContact O-NH1 2.91Å; F108-A384 HydrophobicContact CD1-CB 4.19Å; F108-A384 HydrophobicContact CE1-CB 3.99Å; F108-T388 HydrophobicContact CE1-CG2 3.99Å; F108-T388 HydrophobicContact CE2-CG2 4.37Å; F108-T388 HydrophobicContact CZ-CG2 3.58Å; F108-L390 HydrophobicContact CZ-CB 4.48Å; F108-L390 HydrophobicContact CZ-CD2 4.33Å; F108-L395 HydrophobicContact CE1-CD1 4.05Å; F108-L395 HydrophobicContact CZ-CD1 3.9Å; F108-I401 HydrophobicContact CD1-CD1 4.24Å; F108-I401 HydrophobicContact CD1-CG1 3.51Å; F108-I401 HydrophobicContact CE1-CD1 3.81Å; F108-I401 HydrophobicContact CE1-CG1 3.61Å; F108-I401 HydrophobicContact CG-CG1 4.45Å |
| 109 | G | 90.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | trans | -81.4 | -15.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D105 R446 | D105-G109 WeakPolarHBondContact O-CA 3.19Å; D105-G109 PolarHBondContact O-N 3.02Å; D105-G109 VanDerWaalsContact O-N 3.16Å; G109-R446 PolarHBondContact O-NE 3.48Å; G109-R446 PolarHBondContact O-NH2 2.61Å | ||
| 110 | N | 94.9 | Very high | 93.9 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 19% | 0.193 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -89 | 170.2 | -178 | -78.2 | -0.6 | 0 | 0 | 0 | 112.8 | R382 E383 T385 | N110-R382 CarbonylContact O-C 3.47Å; N110-R382 WeakPolarHBondContact O-CA 3.41Å; N110-E383 HydrophobicContact CB-CB 3.92Å; N110-E383 PolarHBondContact O-N 3.16Å; N110-T385 HydrophobicContact CB-CG2 3.79Å; N110-T385 VanDerWaalsContact CG-CG2 3.42Å |
| 111 | R | 95.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | trans | -116.5 | 136 | 172.2 | -68.3 | -68.5 | -162.9 | -159.6 | 1.1 | 108.6 | I127 M128 S130 V380 P381 | R111-I127 WeakPolarHBondContact CG-O 3.37Å; R111-I127 PolarHBondContact NE-O 2.65Å; R111-I127 VanDerWaalsContact NE-O 3.08Å; R111-M128 HydrophobicContact CB-CE 3.85Å; R111-M128 WeakPolarHBondContact CB-O 3.49Å; R111-M128 HydrophobicContact CB-SD 4.38Å; R111-M128 HydrophobicContact CG-SD 4.46Å; R111-S130 PolarHBondContact N-OG 3.17Å; R111-V380 VanDerWaalsContact NH1-C 3.29Å; R111-V380 VanDerWaalsContact NH1-CG1 3.32Å; R111-V380 PolarHBondContact NH1-O 2.87Å; R111-P381 WeakPolarHBondContact CD-O 3.28Å; R111-P381 PolarHBondContact NH1-O 2.97Å | ||
| 112 | P | 93.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | trans | -69.9 | 134.4 | -178.2 | 29.4 | -35.9 | 0 | 0 | 0 | 111.3 | M128 P381 E383 M400 | P112-M128 WeakPolarHBondContact O-CE 3.44Å; P112-P381 HydrophobicContact CG-CB 3.66Å; P112-E383 WeakPolarHBondContact CA-OE2 3.33Å; P112-E383 HydrophobicContact CB-CB 4.36Å; P112-M400 HydrophobicContact CB-CB 4.44Å; P112-M400 HydrophobicContact CB-CE 3.6Å; P112-M400 HydrophobicContact CB-CG 4.32Å; P112-M400 HydrophobicContact CG-CE 3.58Å; P112-M400 HydrophobicContact CG-CG 4Å; P112-M400 HydrophobicContact CG-SD 4.29Å | ||
| 113 | M | 92.7 | Very high | 93.2 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | trans | -96.3 | 98.6 | 176.9 | -170.2 | 57.1 | 63.3 | 0 | 0 | 110.7 | R117 E118 K122 K123 | M113-R117 HydrophobicContact SD-CB 4.19Å; M113-E118 HydrophobicContact CG-CB 4.19Å; M113-E118 HydrophobicContact SD-CB 4.07Å; M113-K122 WeakPolarHBondContact CE-O 3.25Å; M113-K122 VanDerWaalsContact SD-O 3.33Å; M113-K123 HydrophobicContact CE-CG 4.22Å | ||
| 114 | T | 93 | Very high | 93.2 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | trans | -86.5 | 152.4 | 176.8 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | I86 M116 R117 E118 N231 M400 | I86-T114 HydrophobicContact CD1-CG2 4Å; T114-M116 VanDerWaalsContact C-N 3.27Å; T114-M116 PolarHBondContact O-N 2.8Å; T114-M116 VanDerWaalsContact O-N 3.16Å; T114-R117 PolarHBondContact O-N 3.05Å; T114-R117 WeakPolarHBondContact OG1-CB 3.47Å; T114-R117 VanDerWaalsContact OG1-CG 3.28Å; T114-R117 WeakPolarHBondContact OG1-CG 3.14Å; T114-R117 PolarHBondContact OG1-N 3.02Å; T114-E118 PolarHBondContact O-N 2.99Å; T114-N231 WeakPolarHBondContact CB-OD1 3.28Å; T114-M400 HydrophobicContact CG2-CE 4.33Å | ||
| 115 | P | 94.5 | Very high | 93.2 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.4 | -37.4 | -179.8 | -29.2 | 36.5 | 0 | 0 | 0 | 115.1 | R119 Y230 P234 | P115-R119 PolarHBondContact O-N 2.91Å; P115-R119 VanDerWaalsContact O-N 3.13Å; P115-Y230 HydrophobicContact CB-CE1 4.33Å; P115-P234 HydrophobicContact CB-CB 3.85Å; P115-P234 HydrophobicContact CB-CG 3.86Å; P115-P234 HydrophobicContact CG-CG 4.04Å |
| 116 | M | 93 | Very high | 93.4 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 174.7 | 177.2 | -175.1 | 68.9 | 0 | 0 | 111.6 | T114 E118 R119 T120 E222 C227 Y230 N231 L247 F248 | T114-M116 VanDerWaalsContact C-N 3.27Å; T114-M116 PolarHBondContact O-N 2.8Å; T114-M116 VanDerWaalsContact O-N 3.16Å; M116-E118 PolarHBondContact O-N 3.4Å; M116-R119 PolarHBondContact O-N 3.08Å; M116-T120 PolarHBondContact O-N 2.89Å; M116-T120 PolarHBondContact O-OG1 3.49Å; M116-T120 VanDerWaalsContact O-OG1 3.13Å; M116-E222 HydrophobicContact CE-CG 3.49Å; M116-E222 VanDerWaalsContact CE-CG 3.49Å; M116-E222 HydrophobicContact SD-CG 4.23Å; M116-C227 HydrophobicContact SD-CB 4Å; M116-Y230 HydrophobicContact CB-CD1 3.86Å; M116-Y230 HydrophobicContact CB-CE1 4.25Å; M116-N231 WeakPolarHBondContact CB-OD1 3.46Å; M116-N231 PolarHBondContact N-OD1 3.29Å; M116-L247 HydrophobicContact CG-CD2 3.99Å; M116-L247 HydrophobicContact SD-CD2 3.51Å; M116-L247 VanDerWaalsContact SD-CD2 3.51Å; M116-F248 HydrophobicContact CB-CZ 4.47Å; M116-F248 HydrophobicContact CG-CE1 3.97Å; M116-F248 HydrophobicContact CG-CZ 4.04Å |
| 117 | R | 91.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -37 | 178.3 | -70.4 | -179.2 | 179.2 | 134.1 | 6.9 | 112.9 | M113 T114 R119 T120 F121 K122 E222 | M113-R117 HydrophobicContact SD-CB 4.19Å; T114-R117 PolarHBondContact O-N 3.05Å; T114-R117 WeakPolarHBondContact OG1-CB 3.47Å; T114-R117 VanDerWaalsContact OG1-CG 3.28Å; T114-R117 WeakPolarHBondContact OG1-CG 3.14Å; T114-R117 PolarHBondContact OG1-N 3.02Å; R117-R119 VanDerWaalsContact C-N 3.31Å; R117-R119 PolarHBondContact O-N 2.95Å; R117-T120 PolarHBondContact O-N 3.23Å; R117-F121 PolarHBondContact O-N 3.12Å; R117-K122 PolarHBondContact O-N 2.66Å; R117-E222 IonicContact CZ-OE1 2.74Å; R117-E222 IonicContact NE-OE1 2.82Å; R117-E222 IonicContact NH2-OE1 2.78Å; R117-E222 PolarHBondContact NH2-OE1 3.3Å |
| 118 | E | 93.7 | Very high | 93.4 | Very high | 112 Ų | 112 | 38.9 Ų | 38.9 | 52% | 0.523 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 175 | -176.9 | 171 | -154.3 | 0 | 0 | 111.1 | M113 T114 M116 K122 | M113-E118 HydrophobicContact CG-CB 4.19Å; M113-E118 HydrophobicContact SD-CB 4.07Å; T114-E118 PolarHBondContact O-N 2.99Å; M116-E118 PolarHBondContact O-N 3.4Å; E118-K122 VanDerWaalsContact O-CA 3.29Å; E118-K122 WeakPolarHBondContact O-CA 3.23Å; E118-K122 PolarHBondContact O-N 2.81Å |
| 119 | R | 93.6 | Very high | 93.4 | Very high | 103 Ų | 103 | 39 Ų | 39 | 39% | 0.389 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.6 | 177.4 | 169.6 | 172.2 | -170.6 | -5.2 | 112.3 | P115 M116 R117 Y230 Q245 F248 | P115-R119 PolarHBondContact O-N 2.91Å; P115-R119 VanDerWaalsContact O-N 3.13Å; M116-R119 PolarHBondContact O-N 3.08Å; R117-R119 VanDerWaalsContact C-N 3.31Å; R117-R119 PolarHBondContact O-N 2.95Å; R119-Y230 WeakPolarHBondContact CD-OH 3.25Å; R119-Y230 PolarHBondContact NH1-OH 3.04Å; R119-Q245 VanDerWaalsContact NH2-OE1 3.11Å; R119-F248 HydrophobicContact CB-CE1 4.03Å; R119-F248 HydrophobicContact CB-CZ 4.48Å; R119-F248 HydrophobicContact CG-CD1 4.04Å; R119-F248 HydrophobicContact CG-CE1 3.88Å; R119-F248 HydrophobicContact CG-CZ 4.36Å |
| 120 | T | 92.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.6 | -47.9 | -174.7 | -51.8 | 0 | 0 | 0 | 0 | 113 | M116 R117 F248 W251 K255 | M116-T120 PolarHBondContact O-N 2.89Å; M116-T120 PolarHBondContact O-OG1 3.49Å; M116-T120 VanDerWaalsContact O-OG1 3.13Å; R117-T120 PolarHBondContact O-N 3.23Å; T120-F248 WeakPolarHBondContact OG1-CD1 3.45Å; T120-F248 WeakPolarHBondContact OG1-CE1 3.21Å; T120-W251 HydrophobicContact CG2-CB 3.55Å; T120-W251 HydrophobicContact CG2-CD2 3.98Å; T120-W251 HydrophobicContact CG2-CG 3.42Å; T120-W251 VanDerWaalsContact CG2-CG 3.42Å; T120-K255 WeakPolarHBondContact O-CE 3.3Å; T120-K255 PolarHBondContact O-NZ 3.47Å |
| 121 | F | 92.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -121.7 | -5.4 | -167.9 | -60.5 | -73.5 | 0 | 0 | 0 | 114 | R117 K123 N124 W251 L306 | R117-F121 PolarHBondContact O-N 3.12Å; F121-K123 PolarHBondContact O-N 2.86Å; F121-N124 WeakPolarHBondContact O-CB 3.32Å; F121-N124 PolarHBondContact O-N 3.06Å; F121-N124 VanDerWaalsContact O-N 3.09Å; F121-W251 HydrophobicContact CE1-CE3 4.15Å; F121-W251 HydrophobicContact CE1-CZ3 4.23Å; F121-W251 HydrophobicContact CE2-CD2 4.33Å; F121-W251 HydrophobicContact CE2-CZ2 4.21Å; F121-W251 AromaticContact CZ-CD2 3.69Å; F121-W251 HydrophobicContact CZ-CD2 3.69Å; F121-W251 AromaticContact CZ-CE2 3.77Å; F121-W251 AromaticContact CZ-CE3 3.61Å; F121-W251 HydrophobicContact CZ-CE3 3.61Å; F121-W251 HydrophobicContact CZ-CG 4.47Å; F121-W251 AromaticContact CZ-CH2 3.75Å; F121-W251 HydrophobicContact CZ-CH2 3.75Å; F121-W251 AromaticContact CZ-CZ2 3.81Å; F121-W251 HydrophobicContact CZ-CZ2 3.81Å; F121-W251 AromaticContact CZ-CZ3 3.65Å; F121-W251 HydrophobicContact CZ-CZ3 3.65Å; F121-L306 HydrophobicContact CE1-CD2 4.17Å |
| 122 | K | 91.5 | Very high | 93.6 | Very high | 122 Ų | 122 | 44.1 Ų | 44.1 | 53% | 0.53 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -128.4 | -171.3 | -57.5 | 172.2 | -178.2 | 166.7 | 0 | 109.3 | M113 R117 E118 | M113-K122 WeakPolarHBondContact CE-O 3.25Å; M113-K122 VanDerWaalsContact SD-O 3.33Å; R117-K122 PolarHBondContact O-N 2.66Å; E118-K122 VanDerWaalsContact O-CA 3.29Å; E118-K122 WeakPolarHBondContact O-CA 3.23Å; E118-K122 PolarHBondContact O-N 2.81Å |
| 123 | K | 91.5 | Very high | 93.7 | Very high | 138 Ų | 138 | 46.4 Ų | 46.4 | 60% | 0.6 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104 | 12.6 | 177.4 | -63 | -179 | 179.8 | 176.1 | 0 | 113.2 | M113 F121 S129 | M113-K123 HydrophobicContact CE-CG 4.22Å; F121-K123 PolarHBondContact O-N 2.86Å; K123-S129 WeakPolarHBondContact O-CB 3.36Å |
| 124 | N | 95.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | trans | -93.2 | 177.2 | -171.9 | -60.6 | -32.9 | 0 | 0 | 0 | 111.8 | F121 E299 N300 C303 | F121-N124 WeakPolarHBondContact O-CB 3.32Å; F121-N124 PolarHBondContact O-N 3.06Å; F121-N124 VanDerWaalsContact O-N 3.09Å; N124-E299 WeakPolarHBondContact ND2-CG 3.24Å; N124-N300 HydrophobicContact CB-CB 4.32Å; N124-C303 HydrophobicContact CB-CB 3.96Å | ||
| 125 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 91.5 | -177.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S129 N300 D307 | G125-S129 WeakPolarHBondContact O-CB 3.27Å; G125-S129 PolarHBondContact O-OG 3.2Å; G125-N300 PolarHBondContact N-OD1 3.19Å; G125-D307 WeakPolarHBondContact CA-OD2 3.38Å |
| 126 | L | 95 | Very high | 94.2 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -101.5 | -33.8 | -176.8 | 178.6 | 64 | 0 | 0 | 0 | 112.2 | Q137 R138 T141 D307 L308 L449 | L126-Q137 HydrophobicContact CD1-CB 4.48Å; L126-R138 HydrophobicContact CD1-CB 3.97Å; L126-T141 HydrophobicContact CD2-CG2 3.91Å; L126-D307 WeakPolarHBondContact CA-OD2 3.34Å; L126-D307 HydrophobicContact CB-CB 4.25Å; L126-D307 PolarHBondContact N-OD2 2.93Å; L126-L308 HydrophobicContact CD2-CD2 4Å; L126-L308 HydrophobicContact CD2-CG 4.4Å; L126-L449 HydrophobicContact CD1-CD1 4.21Å; L126-L449 HydrophobicContact CD2-CD1 4.16Å; L126-L449 HydrophobicContact CD2-CD2 4.36Å |
| 127 | I | 94.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -81.4 | -50.8 | -171.9 | -62.1 | 173.1 | 0 | 0 | 0 | 110.8 | R111 D307 A311 V380 | R111-I127 WeakPolarHBondContact CG-O 3.37Å; R111-I127 PolarHBondContact NE-O 2.65Å; R111-I127 VanDerWaalsContact NE-O 3.08Å; I127-D307 HydrophobicContact CD1-CB 3.81Å; I127-D307 HydrophobicContact CG1-CB 3.92Å; I127-D307 PolarHBondContact N-OD2 2.86Å; I127-A311 HydrophobicContact CD1-CB 4.12Å; I127-V380 HydrophobicContact CG2-CG1 4.4Å |
| 128 | M | 92.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -106.5 | -6.6 | -168.5 | -64.9 | -53.7 | -61.5 | 0 | 0 | 114.9 | R111 P112 V380 | R111-M128 HydrophobicContact CB-CE 3.85Å; R111-M128 WeakPolarHBondContact CB-O 3.49Å; R111-M128 HydrophobicContact CB-SD 4.38Å; R111-M128 HydrophobicContact CG-SD 4.46Å; P112-M128 WeakPolarHBondContact O-CE 3.44Å; M128-V380 HydrophobicContact SD-CG1 4.25Å |
| 129 | S | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | trans | -66.9 | 160.1 | 173.3 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | K123 G125 W134 R446 | K123-S129 WeakPolarHBondContact O-CB 3.36Å; G125-S129 WeakPolarHBondContact O-CB 3.27Å; G125-S129 PolarHBondContact O-OG 3.2Å; S129-W134 WeakPolarHBondContact OG-CA 3.35Å; S129-W134 WeakPolarHBondContact OG-CB 3.47Å; S129-R446 PolarHBondContact O-NH1 3.05Å; S129-R446 PolarHBondContact O-NH2 3.12Å; S129-R446 VanDerWaalsContact O-NH2 3.07Å | ||
| 130 | S | 95.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 52 Ų | 52 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | trans | -137.4 | 168 | -177.1 | -72.4 | 0 | 0 | 0 | 0 | 113.1 | R111 | R111-S130 PolarHBondContact N-OG 3.17Š| ||
| 131 | G | 94.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | 62 | -136.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K135 | G131-K135 WeakPolarHBondContact O-CG 3.43Å; G131-K135 PolarHBondContact O-N 2.91Å |
| 132 | Q | 94.8 | Very high | 95.5 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.1 | -39.7 | -174.8 | -173.6 | 60.8 | 17 | 0 | 0 | 112.9 | W134 K135 E136 | Q132-W134 VanDerWaalsContact C-N 3.31Å; Q132-W134 PolarHBondContact O-N 3.46Å; Q132-K135 PolarHBondContact O-N 3.31Å; Q132-K135 VanDerWaalsContact O-N 3.08Å; Q132-E136 HydrophobicContact CG-CG 4.42Å; Q132-E136 VanDerWaalsContact CG-OE1 3.3Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.45Å; Q132-E136 PolarHBondContact NE2-OE1 3.1Å; Q132-E136 PolarHBondContact O-N 2.91Å |
| 133 | I | 95.7 | Very high | 95.7 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52.2 | -52.5 | 176.5 | -64.7 | 172.3 | 0 | 0 | 0 | 109.6 | K135 E136 Q137 | I133-K135 VanDerWaalsContact C-N 3.35Å; I133-K135 PolarHBondContact O-N 3.49Å; I133-E136 PolarHBondContact O-N 3.12Å; I133-Q137 HydrophobicContact CG2-CG 4.2Å; I133-Q137 WeakPolarHBondContact O-CB 3.09Å; I133-Q137 VanDerWaalsContact O-CG 3.23Å; I133-Q137 WeakPolarHBondContact O-CG 3.31Å; I133-Q137 PolarHBondContact O-N 3.01Å |
| 134 | W | 96.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 179.5 | 169.8 | 71.3 | 0 | 0 | 0 | 113.2 | S129 Q132 E136 R138 K445 R446 | S129-W134 WeakPolarHBondContact OG-CA 3.35Å; S129-W134 WeakPolarHBondContact OG-CB 3.47Å; Q132-W134 VanDerWaalsContact C-N 3.31Å; Q132-W134 PolarHBondContact O-N 3.46Å; W134-E136 VanDerWaalsContact C-N 3.34Å; W134-E136 PolarHBondContact O-N 3.39Å; W134-R138 HydrophobicContact CZ2-CG 4.44Å; W134-R138 WeakPolarHBondContact O-CB 3.32Å; W134-R138 PolarHBondContact O-N 3.46Å; W134-K445 HydrophobicContact CH2-CB 4.28Å; W134-K445 WeakPolarHBondContact CZ2-O 3.45Å; W134-R446 VanDerWaalsContact CE2-CD 3.5Å; W134-R446 VanDerWaalsContact CE2-CZ 3.45Å; W134-R446 VanDerWaalsContact CE2-NE 3.33Å; W134-R446 HydrophobicContact CH2-CG 3.83Å; W134-R446 HydrophobicContact CZ2-CB 4.2Å; W134-R446 VanDerWaalsContact CZ2-CD 3.47Å; W134-R446 HydrophobicContact CZ2-CG 3.44Å; W134-R446 VanDerWaalsContact CZ2-CG 3.44Å; W134-R446 VanDerWaalsContact NE1-NH1 3.14Å |
| 135 | K | 96.3 | Very high | 95.8 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 53% | 0.53 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.8 | -44.4 | -179.7 | -70.5 | 176.3 | -175.9 | 175.9 | 0 | 111.2 | G131 Q132 I133 R139 | G131-K135 WeakPolarHBondContact O-CG 3.43Å; G131-K135 PolarHBondContact O-N 2.91Å; Q132-K135 PolarHBondContact O-N 3.31Å; Q132-K135 VanDerWaalsContact O-N 3.08Å; I133-K135 VanDerWaalsContact C-N 3.35Å; I133-K135 PolarHBondContact O-N 3.49Å; K135-R139 VanDerWaalsContact O-CB 3.23Å; K135-R139 WeakPolarHBondContact O-CB 3.42Å; K135-R139 PolarHBondContact O-N 3.21Å |
| 136 | E | 96.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -53.5 | 178.6 | -71.9 | 170.9 | -174.8 | 0 | 0 | 111.1 | Q132 I133 W134 R138 R139 F140 S295 F296 | Q132-E136 HydrophobicContact CG-CG 4.42Å; Q132-E136 VanDerWaalsContact CG-OE1 3.3Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.45Å; Q132-E136 PolarHBondContact NE2-OE1 3.1Å; Q132-E136 PolarHBondContact O-N 2.91Å; I133-E136 PolarHBondContact O-N 3.12Å; W134-E136 VanDerWaalsContact C-N 3.34Å; W134-E136 PolarHBondContact O-N 3.39Å; E136-R138 PolarHBondContact O-N 3.04Å; E136-R139 PolarHBondContact O-N 2.96Å; E136-F140 WeakPolarHBondContact O-CB 3.34Å; E136-F140 PolarHBondContact O-N 3.07Å; E136-S295 WeakPolarHBondContact CB-OG 3.38Å; E136-S295 VanDerWaalsContact OE2-CB 3.29Å; E136-S295 WeakPolarHBondContact OE2-CB 3.32Å; E136-S295 PolarHBondContact OE2-OG 2.7Å; E136-F296 HydrophobicContact CB-CE2 4.32Å; E136-F296 HydrophobicContact CB-CZ 4.38Å |
| 137 | Q | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 180 | -63.8 | -55.4 | -52.9 | 0 | 0 | 111.4 | L126 I133 R139 F140 T141 Y281 S295 N300 S304 | L126-Q137 HydrophobicContact CD1-CB 4.48Å; I133-Q137 HydrophobicContact CG2-CG 4.2Å; I133-Q137 WeakPolarHBondContact O-CB 3.09Å; I133-Q137 VanDerWaalsContact O-CG 3.23Å; I133-Q137 WeakPolarHBondContact O-CG 3.31Å; I133-Q137 PolarHBondContact O-N 3.01Å; Q137-R139 PolarHBondContact O-N 3.42Å; Q137-F140 PolarHBondContact O-N 2.87Å; Q137-T141 WeakPolarHBondContact O-CB 3.27Å; Q137-T141 PolarHBondContact O-N 3.24Å; Q137-T141 PolarHBondContact O-OG1 3.04Å; Q137-Y281 VanDerWaalsContact CD-OH 3.23Å; Q137-Y281 PolarHBondContact NE2-OH 3.2Å; Q137-Y281 VanDerWaalsContact NE2-OH 3.1Å; Q137-Y281 PolarHBondContact OE1-OH 2.81Å; Q137-S295 PolarHBondContact NE2-O 3.42Å; Q137-S295 PolarHBondContact NE2-OG 3.05Å; Q137-N300 WeakPolarHBondContact CG-ND2 3.31Å; Q137-N300 PolarHBondContact NE2-ND2 2.74Å; Q137-S304 PolarHBondContact OE1-OG 2.81Å |
| 138 | R | 97.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.3 | -177 | 175.5 | 179.4 | 87.3 | -7 | 112.7 | L126 W134 E136 L142 K445 A447 L449 | L126-R138 HydrophobicContact CD1-CB 3.97Å; W134-R138 HydrophobicContact CZ2-CG 4.44Å; W134-R138 WeakPolarHBondContact O-CB 3.32Å; W134-R138 PolarHBondContact O-N 3.46Å; E136-R138 PolarHBondContact O-N 3.04Å; R138-L142 HydrophobicContact CG-CD1 4.04Å; R138-L142 HydrophobicContact CG-CG 4.48Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 WeakPolarHBondContact O-CG 3.44Å; R138-L142 PolarHBondContact O-N 3.49Å; R138-K445 PolarHBondContact NE-O 3.35Å; R138-A447 PolarHBondContact NH1-O 3.44Å; R138-A447 PolarHBondContact NH2-O 3Å; R138-L449 HydrophobicContact CG-CD1 3.83Å |
| 139 | R | 97.6 | Very high | 95.1 | Very high | 200 Ų | 200 | 53.5 Ų | 53.5 | 76% | 0.755 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.7 | -42.2 | -179.7 | -174.7 | -179.4 | -170.7 | 179.2 | 3 | 111.3 | K135 E136 Q137 T143 | K135-R139 VanDerWaalsContact O-CB 3.23Å; K135-R139 WeakPolarHBondContact O-CB 3.42Å; K135-R139 PolarHBondContact O-N 3.21Å; E136-R139 PolarHBondContact O-N 2.96Å; Q137-R139 PolarHBondContact O-N 3.42Å; R139-T143 PolarHBondContact O-N 3.4Å; R139-T143 PolarHBondContact O-OG1 3.34Å |
| 140 | F | 97.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -53.7 | 175.3 | 174.6 | -94.1 | 0 | 0 | 0 | 110.6 | E136 Q137 L142 T143 A144 F277 A280 Y281 E284 F296 | E136-F140 WeakPolarHBondContact O-CB 3.34Å; E136-F140 PolarHBondContact O-N 3.07Å; Q137-F140 PolarHBondContact O-N 2.87Å; F140-L142 PolarHBondContact O-N 2.77Å; F140-T143 WeakPolarHBondContact O-CB 3.2Å; F140-T143 PolarHBondContact O-N 3.03Å; F140-A144 HydrophobicContact CE1-CB 4.39Å; F140-A144 PolarHBondContact O-N 3.12Å; F140-F277 AromaticContact CD1-CE2 3.99Å; F140-F277 HydrophobicContact CD1-CE2 3.99Å; F140-F277 HydrophobicContact CD1-CZ 4.37Å; F140-F277 HydrophobicContact CE1-CD2 4.24Å; F140-F277 AromaticContact CE1-CE2 3.62Å; F140-F277 HydrophobicContact CE1-CE2 3.62Å; F140-F277 HydrophobicContact CE1-CZ 4.05Å; F140-A280 HydrophobicContact CZ-CB 3.99Å; F140-Y281 AromaticContact CD1-CD2 3.96Å; F140-Y281 HydrophobicContact CD1-CD2 3.96Å; F140-Y281 HydrophobicContact CD1-CE2 4.32Å; F140-Y281 AromaticContact CE1-CD2 3.49Å; F140-Y281 HydrophobicContact CE1-CD2 3.49Å; F140-Y281 VanDerWaalsContact CE1-CD2 3.49Å; F140-Y281 HydrophobicContact CE1-CE2 4.28Å; F140-Y281 HydrophobicContact CE1-CG 4.06Å; F140-Y281 HydrophobicContact CZ-CD2 4.23Å; F140-Y281 HydrophobicContact CZ-CG 4.37Å; F140-E284 HydrophobicContact CD2-CB 4.19Å; F140-E284 HydrophobicContact CD2-CG 3.99Å; F140-E284 HydrophobicContact CE2-CB 3.65Å; F140-E284 HydrophobicContact CE2-CG 3.97Å; F140-E284 HydrophobicContact CZ-CB 4.32Å; F140-F296 HydrophobicContact CB-CE1 3.82Å; F140-F296 HydrophobicContact CB-CZ 3.9Å; F140-F296 HydrophobicContact CD1-CE1 4.18Å; F140-F296 AromaticContact CD2-CE1 3.92Å; F140-F296 HydrophobicContact CD2-CE1 3.92Å; F140-F296 HydrophobicContact CD2-CZ 4.33Å; F140-F296 AromaticContact CG-CE1 3.68Å; F140-F296 HydrophobicContact CG-CE1 3.68Å; F140-F296 HydrophobicContact CG-CZ 4.18Å |
| 141 | T | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | -178.7 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | L126 Q137 T143 A144 L145 F277 L308 L449 | L126-T141 HydrophobicContact CD2-CG2 3.91Å; Q137-T141 WeakPolarHBondContact O-CB 3.27Å; Q137-T141 PolarHBondContact O-N 3.24Å; Q137-T141 PolarHBondContact O-OG1 3.04Å; T141-T143 VanDerWaalsContact C-N 3.27Å; T141-T143 PolarHBondContact O-N 3.39Å; T141-A144 PolarHBondContact O-N 3.44Å; T141-L145 HydrophobicContact CG2-CD1 4.3Å; T141-L145 HydrophobicContact CG2-CG 4.17Å; T141-L145 WeakPolarHBondContact O-CG 2.89Å; T141-L145 PolarHBondContact O-N 2.95Å; T141-F277 HydrophobicContact CG2-CE2 3.98Å; T141-L308 HydrophobicContact CG2-CD1 3.99Å; T141-L308 HydrophobicContact CG2-CD2 3.9Å; T141-L308 HydrophobicContact CG2-CG 4.4Å; T141-L449 HydrophobicContact CG2-CD1 4.31Å; T141-L449 HydrophobicContact CG2-CD2 3.86Å |
| 142 | L | 96.5 | Very high | 93.8 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 175.5 | -77.9 | 170.4 | 0 | 0 | 0 | 112.3 | R138 F140 R146 L449 | R138-L142 HydrophobicContact CG-CD1 4.04Å; R138-L142 HydrophobicContact CG-CG 4.48Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 WeakPolarHBondContact O-CG 3.44Å; R138-L142 PolarHBondContact O-N 3.49Å; F140-L142 PolarHBondContact O-N 2.77Å; L142-R146 VanDerWaalsContact O-CG 3.28Å; L142-R146 WeakPolarHBondContact O-CG 3.18Å; L142-R146 PolarHBondContact O-N 3.37Å; L142-L449 HydrophobicContact CD1-CD1 4.48Å; L142-L449 HydrophobicContact CD2-CD1 3.84Å; L142-L449 HydrophobicContact CD2-CG 3.71Å; L142-L449 HydrophobicContact CG-CD1 3.69Å; L142-L449 HydrophobicContact CG-CG 4.15Å |
| 143 | T | 95.8 | Very high | 93.5 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | R139 F140 T141 R146 N147 | R139-T143 PolarHBondContact O-N 3.4Å; R139-T143 PolarHBondContact O-OG1 3.34Å; F140-T143 WeakPolarHBondContact O-CB 3.2Å; F140-T143 PolarHBondContact O-N 3.03Å; T141-T143 VanDerWaalsContact C-N 3.27Å; T141-T143 PolarHBondContact O-N 3.39Å; T143-R146 PolarHBondContact O-N 3.32Å; T143-N147 VanDerWaalsContact O-CG 3.26Å; T143-N147 PolarHBondContact O-N 2.94Å; T143-N147 PolarHBondContact O-OD1 3.01Å |
| 144 | A | 95.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F140 T141 R146 N147 F148 F277 | F140-A144 HydrophobicContact CE1-CB 4.39Å; F140-A144 PolarHBondContact O-N 3.12Å; T141-A144 PolarHBondContact O-N 3.44Å; A144-R146 VanDerWaalsContact C-N 3.32Å; A144-R146 PolarHBondContact O-N 3.09Å; A144-N147 WeakPolarHBondContact O-CA 3.37Å; A144-N147 WeakPolarHBondContact O-CB 3.47Å; A144-N147 PolarHBondContact O-N 2.98Å; A144-F148 HydrophobicContact CB-CD2 4.44Å; A144-F148 HydrophobicContact CB-CE2 4.29Å; A144-F148 WeakPolarHBondContact O-CD2 3.5Å; A144-F148 PolarHBondContact O-N 3.17Å; A144-F277 HydrophobicContact CB-CD2 3.84Å; A144-F277 HydrophobicContact CB-CE2 4.26Å |
| 145 | L | 93.9 | Very high | 93 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 178.8 | -67.9 | -174.5 | 0 | 0 | 0 | 112.3 | T141 N147 F148 G149 L150 I195 L449 | T141-L145 HydrophobicContact CG2-CD1 4.3Å; T141-L145 HydrophobicContact CG2-CG 4.17Å; T141-L145 WeakPolarHBondContact O-CG 2.89Å; T141-L145 PolarHBondContact O-N 2.95Å; L145-N147 VanDerWaalsContact C-N 3.31Å; L145-N147 PolarHBondContact O-N 2.74Å; L145-F148 CarbonylContact O-C 3.41Å; L145-F148 PolarHBondContact O-N 2.92Å; L145-G149 PolarHBondContact O-N 3.39Å; L145-L150 VanDerWaalsContact C-CB 3.49Å; L145-L150 HydrophobicContact CB-CB 4.01Å; L145-L150 HydrophobicContact CB-CD2 3.79Å; L145-L150 HydrophobicContact CD1-CD2 4.16Å; L145-L150 WeakPolarHBondContact O-CB 3.46Å; L145-L150 PolarHBondContact O-N 2.9Å; L145-I195 HydrophobicContact CD2-CG2 3.58Å; L145-L449 HydrophobicContact CD1-CD2 3.29Å; L145-L449 HydrophobicContact CG-CD2 4.47Å |
| 146 | R | 93 | Very high | 93 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.2 | -37.5 | 175.3 | -74.1 | 173.5 | -178 | 170.6 | -0.1 | 112.4 | L142 T143 A144 G149 K152 | L142-R146 VanDerWaalsContact O-CG 3.28Å; L142-R146 WeakPolarHBondContact O-CG 3.18Å; L142-R146 PolarHBondContact O-N 3.37Å; T143-R146 PolarHBondContact O-N 3.32Å; A144-R146 VanDerWaalsContact C-N 3.32Å; A144-R146 PolarHBondContact O-N 3.09Å; R146-G149 PolarHBondContact O-N 3.36Å; R146-K152 WeakPolarHBondContact O-CE 3.45Å; R146-K152 PolarHBondContact O-NZ 3.34Å |
| 147 | N | 92.5 | Very high | 92.9 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65 | -43 | 176.3 | -70 | -11.3 | 0 | 0 | 0 | 110.8 | T143 A144 L145 G149 | T143-N147 VanDerWaalsContact O-CG 3.26Å; T143-N147 PolarHBondContact O-N 2.94Å; T143-N147 PolarHBondContact O-OD1 3.01Å; A144-N147 WeakPolarHBondContact O-CA 3.37Å; A144-N147 WeakPolarHBondContact O-CB 3.47Å; A144-N147 PolarHBondContact O-N 2.98Å; L145-N147 VanDerWaalsContact C-N 3.31Å; L145-N147 PolarHBondContact O-N 2.74Å; N147-G149 PolarHBondContact O-N 3.09Å |
| 148 | F | 91.3 | Very high | 92.8 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 17.6 | 177.2 | -61.1 | -60.6 | 0 | 0 | 0 | 115.1 | A144 L145 I195 T274 R275 D276 A280 | A144-F148 HydrophobicContact CB-CD2 4.44Å; A144-F148 HydrophobicContact CB-CE2 4.29Å; A144-F148 WeakPolarHBondContact O-CD2 3.5Å; A144-F148 PolarHBondContact O-N 3.17Å; L145-F148 CarbonylContact O-C 3.41Å; L145-F148 PolarHBondContact O-N 2.92Å; F148-I195 HydrophobicContact CB-CG2 4.07Å; F148-I195 HydrophobicContact CD2-CG2 4.43Å; F148-T274 HydrophobicContact CZ-CG2 3.91Å; F148-R275 WeakPolarHBondContact CE1-O 3.49Å; F148-D276 WeakPolarHBondContact CE2-O 3.39Å; F148-D276 WeakPolarHBondContact CZ-O 3.41Å; F148-A280 HydrophobicContact CE2-CB 4.12Å; F148-A280 HydrophobicContact CZ-CB 4.24Å |
| 149 | G | 85.6 | Confident | 92.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 5.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L145 R146 N147 G151 K152 L155 | L145-G149 PolarHBondContact O-N 3.39Å; R146-G149 PolarHBondContact O-N 3.36Å; N147-G149 PolarHBondContact O-N 3.09Å; G149-G151 PolarHBondContact O-N 3.34Å; G149-K152 WeakPolarHBondContact O-CA 3.44Å; G149-K152 WeakPolarHBondContact O-CB 3.45Å; G149-K152 PolarHBondContact O-N 3.4Å; G149-L155 WeakPolarHBondContact O-CB 3.3Å |
| 150 | L | 88.6 | Confident | 92.8 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 117.7 | 173.3 | -176.4 | 65.7 | 0 | 0 | 0 | 110.7 | L145 K152 L155 Q452 L453 | L145-L150 VanDerWaalsContact C-CB 3.49Å; L145-L150 HydrophobicContact CB-CB 4.01Å; L145-L150 HydrophobicContact CB-CD2 3.79Å; L145-L150 HydrophobicContact CD1-CD2 4.16Å; L145-L150 WeakPolarHBondContact O-CB 3.46Å; L145-L150 PolarHBondContact O-N 2.9Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-L155 HydrophobicContact CD1-CD2 4.49Å; L150-Q452 HydrophobicContact CD1-CB 4.15Å; L150-Q452 HydrophobicContact CD1-CG 4.33Å; L150-L453 HydrophobicContact CD1-CB 3.63Å |
| 151 | G | 80.8 | Confident | 92.7 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 55% | 0.546 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 9.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G149 | G149-G151 PolarHBondContact O-N 3.34Š|
| 152 | K | 88.8 | Confident | 92.7 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -111.1 | 157.6 | 175.6 | -54.1 | -175.2 | -170.9 | 162.1 | 0 | 110.6 | R146 G149 L150 S154 L155 E156 | R146-K152 WeakPolarHBondContact O-CE 3.45Å; R146-K152 PolarHBondContact O-NZ 3.34Å; G149-K152 WeakPolarHBondContact O-CA 3.44Å; G149-K152 WeakPolarHBondContact O-CB 3.45Å; G149-K152 PolarHBondContact O-N 3.4Å; L150-K152 VanDerWaalsContact C-N 3.32Å; K152-S154 PolarHBondContact O-N 3.12Å; K152-L155 PolarHBondContact O-N 2.84Å; K152-E156 PolarHBondContact O-N 3Å |
| 153 | K | 88.5 | Confident | 92.8 | Very high | 145 Ų | 145 | 52.6 Ų | 52.6 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.3 | -32.6 | 178.5 | -165.8 | 178.8 | 177.7 | -173.3 | 0 | 113.5 | L155 E156 E157 | K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.24Å; K153-E156 WeakPolarHBondContact O-CB 3.32Å; K153-E156 PolarHBondContact O-N 3.1Å; K153-E156 VanDerWaalsContact O-N 3.14Å; K153-E157 VanDerWaalsContact CE-OE1 3.24Å; K153-E157 WeakPolarHBondContact CE-OE1 3.24Å; K153-E157 HydrophobicContact CG-CG 4.34Å; K153-E157 IonicContact NZ-OE1 3.04Å; K153-E157 WeakPolarHBondContact O-CG 3.28Å; K153-E157 PolarHBondContact O-N 2.81Å |
| 154 | S | 89.8 | Confident | 92.9 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -36.1 | -179.9 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | K152 R158 | K152-S154 PolarHBondContact O-N 3.12Å; S154-R158 PolarHBondContact O-N 2.88Å |
| 155 | L | 92.1 | Very high | 93 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80 | -33.2 | 175.8 | -177.3 | 59.6 | 0 | 0 | 0 | 111.2 | G149 L150 K152 K153 E157 R158 I159 I191 I195 L453 | G149-L155 WeakPolarHBondContact O-CB 3.3Å; L150-L155 HydrophobicContact CD1-CD2 4.49Å; K152-L155 PolarHBondContact O-N 2.84Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.24Å; L155-E157 VanDerWaalsContact C-N 3.31Å; L155-E157 PolarHBondContact O-N 3.43Å; L155-R158 HydrophobicContact CD1-CB 4.48Å; L155-R158 PolarHBondContact O-N 2.81Å; L155-I159 HydrophobicContact CG-CD1 4.23Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.5Å; L155-I159 PolarHBondContact O-N 2.76Å; L155-I191 HydrophobicContact CD1-CG2 4.26Å; L155-I195 HydrophobicContact CD1-CD1 3.92Å; L155-I195 HydrophobicContact CD1-CG1 4.15Å; L155-I195 HydrophobicContact CD2-CD1 4.02Å; L155-L453 HydrophobicContact CD2-CD1 3.71Å; L155-L453 HydrophobicContact CG-CD1 4.38Å |
| 156 | E | 94.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 172.1 | -175.2 | 170.4 | 120.7 | 0 | 0 | 111.5 | K152 K153 R158 I159 Q160 S352 T353 I460 | K152-E156 PolarHBondContact O-N 3Å; K153-E156 WeakPolarHBondContact O-CB 3.32Å; K153-E156 PolarHBondContact O-N 3.1Å; K153-E156 VanDerWaalsContact O-N 3.14Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 3.1Å; E156-I159 WeakPolarHBondContact O-CB 3.29Å; E156-I159 PolarHBondContact O-N 3.36Å; E156-Q160 WeakPolarHBondContact O-CG 3.28Å; E156-Q160 PolarHBondContact O-N 3.35Å; E156-S352 VanDerWaalsContact OE1-CB 3.31Å; E156-S352 WeakPolarHBondContact OE1-CB 3.46Å; E156-T353 PolarHBondContact OE1-N 2.8Å; E156-T353 VanDerWaalsContact OE2-CB 3.32Å; E156-T353 WeakPolarHBondContact OE2-CB 3.45Å; E156-T353 VanDerWaalsContact OE2-CG2 3.3Å; E156-T353 WeakPolarHBondContact OE2-CG2 3.46Å; E156-T353 PolarHBondContact OE2-N 3.37Å; E156-T353 PolarHBondContact OE2-OG1 3.48Å; E156-I460 HydrophobicContact CG-CD1 3.66Å |
| 157 | E | 94.7 | Very high | 93.4 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 176.9 | -72.8 | 164.3 | 177.5 | 0 | 0 | 111.8 | K153 L155 I159 Q160 E161 | K153-E157 VanDerWaalsContact CE-OE1 3.24Å; K153-E157 WeakPolarHBondContact CE-OE1 3.24Å; K153-E157 HydrophobicContact CG-CG 4.34Å; K153-E157 IonicContact NZ-OE1 3.04Å; K153-E157 WeakPolarHBondContact O-CG 3.28Å; K153-E157 PolarHBondContact O-N 2.81Å; L155-E157 VanDerWaalsContact C-N 3.31Å; L155-E157 PolarHBondContact O-N 3.43Å; E157-I159 VanDerWaalsContact C-N 3.33Å; E157-I159 PolarHBondContact O-N 2.69Å; E157-Q160 WeakPolarHBondContact O-CB 3.46Å; E157-Q160 PolarHBondContact O-N 2.77Å; E157-E161 WeakPolarHBondContact O-CB 3.44Å; E157-E161 PolarHBondContact O-N 3.04Å |
| 158 | R | 95.4 | Very high | 93.6 | Very high | 105 Ų | 105 | 49.6 Ų | 49.6 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -38.1 | 173.3 | -67.5 | 178.2 | -176.7 | -165.5 | -1.2 | 112.7 | S154 L155 E156 Q160 E161 E162 S194 | S154-R158 PolarHBondContact O-N 2.88Å; L155-R158 HydrophobicContact CD1-CB 4.48Å; L155-R158 PolarHBondContact O-N 2.81Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 3.1Å; R158-Q160 VanDerWaalsContact C-N 3.35Å; R158-E161 PolarHBondContact O-N 2.86Å; R158-E162 PolarHBondContact O-N 3.31Å; R158-S194 PolarHBondContact NH1-O 3.17Å |
| 159 | I | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69 | -37.2 | 176.7 | -63.3 | 164.3 | 0 | 0 | 0 | 110.6 | L155 E156 E157 A163 I191 L453 T456 E457 I460 F461 | L155-I159 HydrophobicContact CG-CD1 4.23Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.5Å; L155-I159 PolarHBondContact O-N 2.76Å; E156-I159 WeakPolarHBondContact O-CB 3.29Å; E156-I159 PolarHBondContact O-N 3.36Å; E157-I159 VanDerWaalsContact C-N 3.33Å; E157-I159 PolarHBondContact O-N 2.69Å; I159-A163 VanDerWaalsContact O-CB 3.25Å; I159-A163 WeakPolarHBondContact O-CB 3.24Å; I159-A163 PolarHBondContact O-N 3.27Å; I159-I191 HydrophobicContact CB-CD1 4.22Å; I159-I191 HydrophobicContact CD1-CG2 4.34Å; I159-I191 HydrophobicContact CG1-CD1 3.76Å; I159-I191 HydrophobicContact CG1-CG1 4.13Å; I159-I191 HydrophobicContact CG1-CG2 3.87Å; I159-L453 HydrophobicContact CD1-CD1 3.99Å; I159-T456 HydrophobicContact CD1-CG2 3.48Å; I159-T456 VanDerWaalsContact CD1-CG2 3.48Å; I159-E457 HydrophobicContact CD1-CG 3.98Å; I159-E457 HydrophobicContact CG1-CG 4.34Å; I159-E457 HydrophobicContact CG2-CG 4.48Å; I159-I460 HydrophobicContact CB-CD1 4.22Å; I159-I460 HydrophobicContact CG2-CB 3.83Å; I159-I460 HydrophobicContact CG2-CD1 3.89Å; I159-I460 HydrophobicContact CG2-CG1 4.45Å; I159-I460 HydrophobicContact CG2-CG2 3.86Å; I159-F461 HydrophobicContact CG2-CE2 4.24Å; I159-F461 HydrophobicContact CG2-CZ 4.43Å |
| 160 | Q | 97.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.9 | -70.3 | 177 | -44.4 | 0 | 0 | 112.2 | E156 E157 R158 A163 Q164 Q350 P351 I460 | E156-Q160 WeakPolarHBondContact O-CG 3.28Å; E156-Q160 PolarHBondContact O-N 3.35Å; E157-Q160 WeakPolarHBondContact O-CB 3.46Å; E157-Q160 PolarHBondContact O-N 2.77Å; R158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-A163 PolarHBondContact O-N 2.79Å; Q160-Q164 PolarHBondContact O-N 3.1Å; Q160-Q164 VanDerWaalsContact O-N 3.1Å; Q160-Q350 PolarHBondContact O-NE2 3.47Å; Q160-Q350 VanDerWaalsContact O-NE2 3.12Å; Q160-P351 PolarHBondContact NE2-O 2.96Å; Q160-I460 HydrophobicContact CG-CD1 4.3Å; Q160-I460 HydrophobicContact CG-CG2 4.11Å |
| 161 | E | 97.3 | Very high | 94.8 | Very high | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 173.9 | -179.2 | 178.2 | -163.1 | 0 | 0 | 111 | E157 R158 A163 Q164 H165 | E157-E161 WeakPolarHBondContact O-CB 3.44Å; E157-E161 PolarHBondContact O-N 3.04Å; R158-E161 PolarHBondContact O-N 2.86Å; E161-A163 VanDerWaalsContact C-N 3.28Å; E161-A163 PolarHBondContact O-N 3.3Å; E161-Q164 WeakPolarHBondContact O-CA 3.33Å; E161-Q164 VanDerWaalsContact O-CB 3.32Å; E161-Q164 WeakPolarHBondContact O-CB 3.44Å; E161-Q164 PolarHBondContact O-N 3.16Å; E161-H165 PolarHBondContact O-N 3.12Å; E161-H165 VanDerWaalsContact O-N 3.12Å |
| 162 | E | 98.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -30.9 | 178.8 | -167.2 | 57.7 | -143.1 | 0 | 0 | 112.4 | R158 Q164 H165 L166 A187 N190 I191 R200 Y203 F461 | R158-E162 PolarHBondContact O-N 3.31Å; E162-Q164 VanDerWaalsContact C-N 3.29Å; E162-Q164 PolarHBondContact O-N 3.25Å; E162-H165 PolarHBondContact O-N 3.42Å; E162-H165 IonicContact OE2-CD2 3.77Å; E162-L166 WeakPolarHBondContact O-CB 3.31Å; E162-L166 PolarHBondContact O-N 3.05Å; E162-A187 HydrophobicContact CG-CB 4.24Å; E162-A187 VanDerWaalsContact CG-O 3.23Å; E162-A187 WeakPolarHBondContact CG-O 3.11Å; E162-A187 WeakPolarHBondContact OE1-CA 3.34Å; E162-N190 HydrophobicContact CG-CB 4Å; E162-N190 PolarHBondContact OE1-ND2 2.94Å; E162-N190 PolarHBondContact OE2-ND2 3.48Å; E162-I191 HydrophobicContact CB-CD1 3.61Å; E162-I191 HydrophobicContact CG-CD1 3.93Å; E162-R200 IonicContact OE2-NE 2.99Å; E162-R200 PolarHBondContact OE2-NE 2.87Å; E162-Y203 WeakPolarHBondContact OE1-CE2 3.25Å; E162-Y203 PolarHBondContact OE1-OH 2.91Å; E162-F461 HydrophobicContact CB-CE1 4.38Å; E162-F461 HydrophobicContact CB-CZ 4.31Å; E162-F461 HydrophobicContact CG-CE1 4.3Å; E162-F461 HydrophobicContact CG-CZ 4.14Å |
| 163 | A | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -31.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I159 Q160 E161 T167 I460 F461 | I159-A163 VanDerWaalsContact O-CB 3.25Å; I159-A163 WeakPolarHBondContact O-CB 3.24Å; I159-A163 PolarHBondContact O-N 3.27Å; Q160-A163 PolarHBondContact O-N 2.79Å; E161-A163 VanDerWaalsContact C-N 3.28Å; E161-A163 PolarHBondContact O-N 3.3Å; A163-T167 WeakPolarHBondContact O-CB 3.38Å; A163-T167 PolarHBondContact O-N 3.27Å; A163-T167 PolarHBondContact O-OG1 3.1Å; A163-I460 HydrophobicContact CB-CG2 4.09Å; A163-F461 HydrophobicContact CB-CD1 3.75Å; A163-F461 HydrophobicContact CB-CE1 3.94Å |
| 164 | Q | 97 | Very high | 96.2 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 170.6 | -71.6 | 173.8 | -35.7 | 0 | 0 | 110.8 | Q160 E161 E162 L166 T167 E168 | Q160-Q164 PolarHBondContact O-N 3.1Å; Q160-Q164 VanDerWaalsContact O-N 3.1Å; E161-Q164 WeakPolarHBondContact O-CA 3.33Å; E161-Q164 VanDerWaalsContact O-CB 3.32Å; E161-Q164 WeakPolarHBondContact O-CB 3.44Å; E161-Q164 PolarHBondContact O-N 3.16Å; E162-Q164 VanDerWaalsContact C-N 3.29Å; E162-Q164 PolarHBondContact O-N 3.25Å; Q164-L166 VanDerWaalsContact C-N 3.31Å; Q164-L166 PolarHBondContact O-N 2.99Å; Q164-T167 WeakPolarHBondContact O-CA 3.24Å; Q164-T167 WeakPolarHBondContact O-CB 3.4Å; Q164-T167 PolarHBondContact O-N 3.1Å; Q164-E168 WeakPolarHBondContact O-CG 3.12Å; Q164-E168 PolarHBondContact O-N 3.22Å |
| 165 | H | 97.7 | Very high | 96.3 | Very high | 52 Ų | 52 | 52 Ų | 52 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -43.3 | 177.1 | -68.4 | -45.1 | 0 | 0 | 0 | 112.3 | E161 E162 T167 E168 A169 Y203 | E161-H165 PolarHBondContact O-N 3.12Å; E161-H165 VanDerWaalsContact O-N 3.12Å; E162-H165 PolarHBondContact O-N 3.42Å; E162-H165 IonicContact OE2-CD2 3.77Å; H165-T167 VanDerWaalsContact C-N 3.34Å; H165-T167 PolarHBondContact O-N 2.81Å; H165-E168 IonicContact ND1-OE2 2.64Å; H165-E168 PolarHBondContact O-N 3.31Å; H165-A169 WeakPolarHBondContact O-CB 3.3Å; H165-A169 PolarHBondContact O-N 3.43Å; H165-Y203 HydrophobicContact CB-CE2 4.37Å |
| 166 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.1 | 179.2 | 59.6 | 0 | 0 | 0 | 112.1 | E162 Q164 E168 A169 I170 K183 A187 Y203 F461 L465 | E162-L166 WeakPolarHBondContact O-CB 3.31Å; E162-L166 PolarHBondContact O-N 3.05Å; Q164-L166 VanDerWaalsContact C-N 3.31Å; Q164-L166 PolarHBondContact O-N 2.99Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-A169 PolarHBondContact O-N 3.38Å; L166-I170 HydrophobicContact CD1-CD1 3.95Å; L166-I170 HydrophobicContact CD1-CG1 4.31Å; L166-I170 HydrophobicContact CG-CD1 4.12Å; L166-I170 WeakPolarHBondContact O-CG1 3.04Å; L166-I170 PolarHBondContact O-N 3.17Å; L166-K183 HydrophobicContact CD1-CB 4.12Å; L166-A187 HydrophobicContact CB-CB 3.93Å; L166-A187 HydrophobicContact CD1-CB 4.07Å; L166-A187 HydrophobicContact CD2-CB 3.79Å; L166-A187 HydrophobicContact CG-CB 4.13Å; L166-Y203 HydrophobicContact CD1-CE1 4.29Å; L166-F461 HydrophobicContact CD2-CD1 3.93Å; L166-F461 HydrophobicContact CD2-CE1 4.32Å; L166-L465 HydrophobicContact CD2-CD1 4.04Å; L166-L465 HydrophobicContact CD2-CD2 4.15Å; L166-L465 HydrophobicContact CD2-CG 4.41Å; L166-L465 HydrophobicContact CG-CD2 4.16Å |
| 167 | T | 97.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | A163 Q164 H165 I170 K171 K468 F469 | A163-T167 WeakPolarHBondContact O-CB 3.38Å; A163-T167 PolarHBondContact O-N 3.27Å; A163-T167 PolarHBondContact O-OG1 3.1Å; Q164-T167 WeakPolarHBondContact O-CA 3.24Å; Q164-T167 WeakPolarHBondContact O-CB 3.4Å; Q164-T167 PolarHBondContact O-N 3.1Å; H165-T167 VanDerWaalsContact C-N 3.34Å; H165-T167 PolarHBondContact O-N 2.81Å; T167-I170 PolarHBondContact O-N 3.09Å; T167-K171 WeakPolarHBondContact O-CB 3.5Å; T167-K171 PolarHBondContact O-N 2.86Å; T167-K468 HydrophobicContact CG2-CB 3.87Å; T167-K468 HydrophobicContact CG2-CG 3.75Å; T167-F469 HydrophobicContact CG2-CE2 3.65Å; T167-F469 HydrophobicContact CG2-CZ 3.94Å; T167-F469 WeakPolarHBondContact O-CZ 3.47Å |
| 168 | E | 96.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.7 | -71.3 | 172.9 | 173.4 | 0 | 0 | 111.1 | Q164 H165 L166 I170 K171 E172 | Q164-E168 WeakPolarHBondContact O-CG 3.12Å; Q164-E168 PolarHBondContact O-N 3.22Å; H165-E168 IonicContact ND1-OE2 2.64Å; H165-E168 PolarHBondContact O-N 3.31Å; L166-E168 VanDerWaalsContact C-N 3.35Å; E168-I170 PolarHBondContact O-N 3.12Å; E168-K171 WeakPolarHBondContact O-CB 3.28Å; E168-K171 PolarHBondContact O-N 3.15Å; E168-E172 WeakPolarHBondContact O-CG 3.22Å; E168-E172 PolarHBondContact O-N 3.13Å; E168-E172 VanDerWaalsContact O-N 3.09Å |
| 169 | A | 97 | Very high | 96.7 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -27.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H165 L166 K183 Y203 | H165-A169 WeakPolarHBondContact O-CB 3.3Å; H165-A169 PolarHBondContact O-N 3.43Å; L166-A169 PolarHBondContact O-N 3.38Å; A169-K183 PolarHBondContact O-NZ 3.11Å; A169-Y203 HydrophobicContact CB-CD1 3.92Å; A169-Y203 HydrophobicContact CB-CE1 3.97Å |
| 170 | I | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -83.2 | -34.5 | 172.8 | -71.6 | 172.5 | 0 | 0 | 0 | 111.1 | L166 T167 E168 E172 E173 F178 K183 L465 F469 A498 | L166-I170 HydrophobicContact CD1-CD1 3.95Å; L166-I170 HydrophobicContact CD1-CG1 4.31Å; L166-I170 HydrophobicContact CG-CD1 4.12Å; L166-I170 WeakPolarHBondContact O-CG1 3.04Å; L166-I170 PolarHBondContact O-N 3.17Å; T167-I170 PolarHBondContact O-N 3.09Å; E168-I170 PolarHBondContact O-N 3.12Å; I170-E172 PolarHBondContact O-N 2.81Å; I170-E173 VanDerWaalsContact O-CB 3.29Å; I170-E173 WeakPolarHBondContact O-CB 3.37Å; I170-E173 WeakPolarHBondContact O-CG 3.13Å; I170-E173 PolarHBondContact O-N 3.39Å; I170-E173 VanDerWaalsContact O-N 3.1Å; I170-F178 HydrophobicContact CB-CZ 4.5Å; I170-F178 HydrophobicContact CD1-CE2 4.45Å; I170-F178 HydrophobicContact CD1-CZ 4.34Å; I170-F178 HydrophobicContact CG1-CE2 4.07Å; I170-F178 HydrophobicContact CG1-CZ 4.09Å; I170-F178 HydrophobicContact CG2-CE1 4.16Å; I170-F178 HydrophobicContact CG2-CZ 3.76Å; I170-K183 HydrophobicContact CG1-CD 4.39Å; I170-L465 HydrophobicContact CD1-CD2 3.59Å; I170-F469 HydrophobicContact CB-CE2 4.19Å; I170-F469 HydrophobicContact CB-CZ 4.35Å; I170-F469 HydrophobicContact CG2-CD2 4.17Å; I170-F469 HydrophobicContact CG2-CE1 4.41Å; I170-F469 HydrophobicContact CG2-CE2 3.84Å; I170-F469 HydrophobicContact CG2-CZ 3.98Å; I170-A498 HydrophobicContact CG2-CB 3.47Å; I170-A498 VanDerWaalsContact CG2-CB 3.47Å |
| 171 | K | 96.4 | Very high | 96.6 | Very high | 131 Ų | 131 | 52 Ų | 52 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.3 | -36 | 176.4 | -171.8 | 176.5 | 176.1 | -176.9 | 0 | 111.9 | T167 E168 E173 N174 F469 | T167-K171 WeakPolarHBondContact O-CB 3.5Å; T167-K171 PolarHBondContact O-N 2.86Å; E168-K171 WeakPolarHBondContact O-CB 3.28Å; E168-K171 PolarHBondContact O-N 3.15Å; K171-E173 PolarHBondContact O-N 3.32Å; K171-N174 PolarHBondContact O-N 3.33Å; K171-F469 HydrophobicContact CB-CE1 4.29Å; K171-F469 HydrophobicContact CB-CZ 3.95Å |
| 172 | E | 96 | Very high | 96.5 | Very high | 123 Ų | 123 | 50 Ų | 50 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.6 | 175.8 | -72.5 | 176.1 | 176 | 0 | 0 | 113.9 | E168 I170 N174 | E168-E172 WeakPolarHBondContact O-CG 3.22Å; E168-E172 PolarHBondContact O-N 3.13Å; E168-E172 VanDerWaalsContact O-N 3.09Å; I170-E172 PolarHBondContact O-N 2.81Å; E172-N174 PolarHBondContact O-N 3.3Å; E172-N174 PolarHBondContact O-ND2 2.89Å |
| 173 | E | 95.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11 | 174.5 | -55.8 | -61.8 | 157.6 | 0 | 0 | 112.2 | I170 K171 G175 Q176 F178 K183 | I170-E173 VanDerWaalsContact O-CB 3.29Å; I170-E173 WeakPolarHBondContact O-CB 3.37Å; I170-E173 WeakPolarHBondContact O-CG 3.13Å; I170-E173 PolarHBondContact O-N 3.39Å; I170-E173 VanDerWaalsContact O-N 3.1Å; K171-E173 PolarHBondContact O-N 3.32Å; E173-G175 PolarHBondContact O-N 3.43Å; E173-G175 VanDerWaalsContact O-N 3.1Å; E173-Q176 WeakPolarHBondContact O-CB 3.36Å; E173-Q176 WeakPolarHBondContact O-CG 3.31Å; E173-Q176 PolarHBondContact O-N 2.76Å; E173-F178 HydrophobicContact CB-CB 4.37Å; E173-F178 HydrophobicContact CB-CD1 3.98Å; E173-F178 HydrophobicContact CB-CG 4.26Å; E173-F178 HydrophobicContact CG-CB 3.84Å; E173-F178 HydrophobicContact CG-CD1 3.88Å; E173-F178 HydrophobicContact CG-CD2 4.17Å; E173-F178 HydrophobicContact CG-CG 3.69Å; E173-K183 WeakPolarHBondContact OE1-CE 3.16Å; E173-K183 IonicContact OE1-NZ 2.97Å; E173-K183 PolarHBondContact OE1-NZ 2.99Å |
| 174 | N | 94.3 | Very high | 96.4 | Very high | 130 Ų | 130 | 51.7 Ų | 51.7 | 70% | 0.695 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.1 | 173.2 | -66.9 | -61.1 | 0 | 0 | 0 | 113.9 | K171 E172 Q176 | K171-N174 PolarHBondContact O-N 3.33Å; E172-N174 PolarHBondContact O-N 3.3Å; E172-N174 PolarHBondContact O-ND2 2.89Å; N174-Q176 PolarHBondContact O-N 2.83Å |
| 175 | G | 93.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 5.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E173 A498 | E173-G175 PolarHBondContact O-N 3.43Å; E173-G175 VanDerWaalsContact O-N 3.1Å; G175-A498 WeakPolarHBondContact CA-O 3.29Å |
| 176 | Q | 95.9 | Very high | 96.4 | Very high | 124 Ų | 124 | 45.1 Ų | 45.1 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | trans | -72.9 | 157.7 | 172.7 | -59.3 | -55.3 | -51.4 | 0 | 0 | 111.2 | E173 N174 F178 | E173-Q176 WeakPolarHBondContact O-CB 3.36Å; E173-Q176 WeakPolarHBondContact O-CG 3.31Å; E173-Q176 PolarHBondContact O-N 2.76Å; N174-Q176 PolarHBondContact O-N 2.83Å; Q176-F178 PolarHBondContact O-N 2.86Å | ||
| 177 | P | 96.7 | Very high | 96.4 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 128.8 | 172.5 | -22.8 | 34.3 | 0 | 0 | 0 | 112.1 | P474 H495 L496 | P177-P474 HydrophobicContact CB-CB 4.28Å; P177-P474 HydrophobicContact CB-CG 3.97Å; P177-P474 HydrophobicContact CG-CB 3.97Å; P177-P474 HydrophobicContact CG-CG 4.2Å; P177-H495 HydrophobicContact CB-CB 3.95Å; P177-L496 WeakPolarHBondContact CA-O 3.49Å |
| 178 | F | 96.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.6 | 175.4 | 73.8 | -80 | 0 | 0 | 0 | 111.4 | I170 E173 Q176 P180 K183 H495 L496 A498 | I170-F178 HydrophobicContact CB-CZ 4.5Å; I170-F178 HydrophobicContact CD1-CE2 4.45Å; I170-F178 HydrophobicContact CD1-CZ 4.34Å; I170-F178 HydrophobicContact CG1-CE2 4.07Å; I170-F178 HydrophobicContact CG1-CZ 4.09Å; I170-F178 HydrophobicContact CG2-CE1 4.16Å; I170-F178 HydrophobicContact CG2-CZ 3.76Å; E173-F178 HydrophobicContact CB-CB 4.37Å; E173-F178 HydrophobicContact CB-CD1 3.98Å; E173-F178 HydrophobicContact CB-CG 4.26Å; E173-F178 HydrophobicContact CG-CB 3.84Å; E173-F178 HydrophobicContact CG-CD1 3.88Å; E173-F178 HydrophobicContact CG-CD2 4.17Å; E173-F178 HydrophobicContact CG-CG 3.69Å; Q176-F178 PolarHBondContact O-N 2.86Å; F178-P180 HydrophobicContact CD2-CB 4.46Å; F178-P180 HydrophobicContact CE2-CB 3.82Å; F178-K183 HydrophobicContact CD2-CD 4.42Å; F178-H495 CarbonylContact O-C 2.98Å; F178-H495 VanDerWaalsContact O-CA 3.27Å; F178-H495 WeakPolarHBondContact O-CA 3.33Å; F178-L496 WeakPolarHBondContact CD1-O 3.21Å; F178-L496 WeakPolarHBondContact CE1-O 3.48Å; F178-L496 PolarHBondContact N-O 3.46Å; F178-L496 PolarHBondContact O-N 3.13Å; F178-A498 HydrophobicContact CE1-CB 3.8Å; F178-A498 HydrophobicContact CZ-CB 4.28Å |
| 179 | D | 95.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | trans | -86.3 | 117.6 | 170.6 | -173.2 | -27.3 | 0 | 0 | 0 | 109.2 | H181 S493 | D179-H181 PolarHBondContact O-N 3.48Å; D179-H181 WeakPolarHBondContact OD1-CB 3.37Å; D179-H181 PolarHBondContact OD1-N 3.18Å; D179-S493 PolarHBondContact OD2-OG 2.68Å | ||
| 180 | P | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -74.3 | -9.4 | -176.5 | 32.3 | -37.9 | 0 | 0 | 0 | 114 | F178 K183 I184 L324 L496 | F178-P180 HydrophobicContact CD2-CB 4.46Å; F178-P180 HydrophobicContact CE2-CB 3.82Å; P180-K183 PolarHBondContact O-N 3.07Å; P180-I184 HydrophobicContact CB-CD1 3.84Å; P180-I184 HydrophobicContact CB-CG1 4.38Å; P180-I184 WeakPolarHBondContact O-CB 3.18Å; P180-I184 WeakPolarHBondContact O-CG1 2.94Å; P180-I184 PolarHBondContact O-N 2.84Å; P180-L324 HydrophobicContact CB-CD1 4.26Å; P180-L496 HydrophobicContact CG-CD1 4.15Å | ||
| 181 | H | 95.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54 | -64.3 | -165.5 | -177.6 | -170.3 | 0 | 0 | 0 | 114.1 | D179 K183 I184 N185 D216 R321 | D179-H181 PolarHBondContact O-N 3.48Å; D179-H181 WeakPolarHBondContact OD1-CB 3.37Å; D179-H181 PolarHBondContact OD1-N 3.18Å; H181-K183 PolarHBondContact O-N 3.25Å; H181-I184 PolarHBondContact O-N 3.49Å; H181-N185 PolarHBondContact CD2-OD1 2.89Å; H181-N185 PolarHBondContact NE2-ND2 2.82Å; H181-N185 PolarHBondContact O-N 2.74Å; H181-N185 PolarHBondContact O-OD1 3.11Å; H181-D216 IonicContact CE1-OD1 3.41Å; H181-D216 PolarHBondContact CE1-OD1 3.11Å; H181-D216 IonicContact CE1-OD2 3.53Å; H181-D216 IonicContact NE2-OD1 3.01Å; H181-D216 PolarHBondContact NE2-OD1 3.42Å; H181-R321 VanDerWaalsContact CD2-CZ 3.4Å; H181-R321 PolarHBondContact CD2-NH1 3.21Å; H181-R321 PolarHBondContact NE2-NH1 3.46Å; H181-R321 VanDerWaalsContact NE2-NH1 3.12Å |
| 182 | F | 95.8 | Very high | 96.6 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -76.2 | -23.2 | -173.3 | -71.7 | -67.9 | 0 | 0 | 0 | 113.7 | N186 L212 K213 D216 | F182-N186 VanDerWaalsContact O-CB 3.32Å; F182-N186 WeakPolarHBondContact O-CB 3.49Å; F182-N186 PolarHBondContact O-N 3.28Å; F182-L212 HydrophobicContact CD1-CB 4.09Å; F182-L212 HydrophobicContact CE1-CB 4.33Å; F182-K213 HydrophobicContact CE1-CB 4.47Å; F182-K213 HydrophobicContact CE1-CG 3.79Å; F182-K213 HydrophobicContact CE2-CG 4.32Å; F182-K213 HydrophobicContact CZ-CB 4.47Å; F182-K213 HydrophobicContact CZ-CG 3.67Å; F182-D216 HydrophobicContact CE1-CB 4.38Å; F182-D216 HydrophobicContact CZ-CB 4.46Å |
| 183 | K | 96.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 19% | 0.191 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 171.7 | -68.1 | -178.5 | -171.6 | -100.8 | 0 | 111.1 | L166 A169 I170 E173 F178 P180 H181 N186 A187 | L166-K183 HydrophobicContact CD1-CB 4.12Å; A169-K183 PolarHBondContact O-NZ 3.11Å; I170-K183 HydrophobicContact CG1-CD 4.39Å; E173-K183 WeakPolarHBondContact OE1-CE 3.16Å; E173-K183 IonicContact OE1-NZ 2.97Å; E173-K183 PolarHBondContact OE1-NZ 2.99Å; F178-K183 HydrophobicContact CD2-CD 4.42Å; P180-K183 PolarHBondContact O-N 3.07Å; H181-K183 PolarHBondContact O-N 3.25Å; K183-N186 PolarHBondContact O-N 2.88Å; K183-A187 PolarHBondContact O-N 3.04Å; K183-A187 VanDerWaalsContact O-N 3.12Å |
| 184 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 176.2 | -66.1 | 176.6 | 0 | 0 | 0 | 110.8 | P180 H181 N186 A187 V188 L320 R321 L324 | P180-I184 HydrophobicContact CB-CD1 3.84Å; P180-I184 HydrophobicContact CB-CG1 4.38Å; P180-I184 WeakPolarHBondContact O-CB 3.18Å; P180-I184 WeakPolarHBondContact O-CG1 2.94Å; P180-I184 PolarHBondContact O-N 2.84Å; H181-I184 PolarHBondContact O-N 3.49Å; I184-N186 VanDerWaalsContact C-N 3.28Å; I184-N186 PolarHBondContact O-N 3.24Å; I184-A187 PolarHBondContact O-N 3.45Å; I184-V188 HydrophobicContact CG2-CG2 4.26Å; I184-V188 WeakPolarHBondContact O-CG2 3.5Å; I184-V188 PolarHBondContact O-N 3.05Å; I184-L320 HydrophobicContact CD1-CB 4.41Å; I184-L320 HydrophobicContact CG2-CB 3.78Å; I184-L320 HydrophobicContact CG2-CD1 3.94Å; I184-R321 HydrophobicContact CD1-CG 3.91Å; I184-L324 HydrophobicContact CD1-CD1 3.66Å; I184-L324 HydrophobicContact CD1-CG 4.4Å |
| 185 | N | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 176.4 | -77.3 | 22.5 | 0 | 0 | 0 | 110.6 | H181 V188 S189 L212 S317 | H181-N185 PolarHBondContact CD2-OD1 2.89Å; H181-N185 PolarHBondContact NE2-ND2 2.82Å; H181-N185 PolarHBondContact O-N 2.74Å; H181-N185 PolarHBondContact O-OD1 3.11Å; N185-V188 PolarHBondContact O-N 3.4Å; N185-S189 VanDerWaalsContact O-CB 3.23Å; N185-S189 WeakPolarHBondContact O-CB 3.25Å; N185-S189 PolarHBondContact O-N 2.91Å; N185-S189 PolarHBondContact O-OG 3.12Å; N185-L212 HydrophobicContact CB-CD1 4.29Å; N185-L212 HydrophobicContact CB-CD2 4.47Å; N185-S317 WeakPolarHBondContact OD1-CB 3.5Å; N185-S317 PolarHBondContact OD1-OG 2.89Å |
| 186 | N | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 178.3 | -166.3 | -36.5 | 0 | 0 | 0 | 112 | F182 K183 I184 V188 S189 N190 Y203 F208 Q209 L212 | F182-N186 VanDerWaalsContact O-CB 3.32Å; F182-N186 WeakPolarHBondContact O-CB 3.49Å; F182-N186 PolarHBondContact O-N 3.28Å; K183-N186 PolarHBondContact O-N 2.88Å; I184-N186 VanDerWaalsContact C-N 3.28Å; I184-N186 PolarHBondContact O-N 3.24Å; N186-V188 VanDerWaalsContact C-N 3.34Å; N186-V188 PolarHBondContact O-N 3.48Å; N186-S189 PolarHBondContact O-N 3.48Å; N186-S189 VanDerWaalsContact O-N 3.14Å; N186-N190 PolarHBondContact O-N 3.38Å; N186-N190 PolarHBondContact OD1-ND2 3.06Å; N186-N190 VanDerWaalsContact OD1-ND2 3.09Å; N186-Y203 HydrophobicContact CB-CD1 4.3Å; N186-Y203 HydrophobicContact CB-CE1 4.2Å; N186-Y203 WeakPolarHBondContact ND2-CA 3.33Å; N186-F208 WeakPolarHBondContact OD1-CE1 2.89Å; N186-Q209 PolarHBondContact ND2-NE2 2.95Å; N186-L212 HydrophobicContact CB-CD1 3.87Å |
| 187 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.1 | -49.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E162 L166 K183 I184 N190 Y203 F461 | E162-A187 HydrophobicContact CG-CB 4.24Å; E162-A187 VanDerWaalsContact CG-O 3.23Å; E162-A187 WeakPolarHBondContact CG-O 3.11Å; E162-A187 WeakPolarHBondContact OE1-CA 3.34Å; L166-A187 HydrophobicContact CB-CB 3.93Å; L166-A187 HydrophobicContact CD1-CB 4.07Å; L166-A187 HydrophobicContact CD2-CB 3.79Å; L166-A187 HydrophobicContact CG-CB 4.13Å; K183-A187 PolarHBondContact O-N 3.04Å; K183-A187 VanDerWaalsContact O-N 3.12Å; I184-A187 PolarHBondContact O-N 3.45Å; A187-N190 PolarHBondContact O-N 2.85Å; A187-Y203 VanDerWaalsContact CA-OH 3.3Å; A187-Y203 WeakPolarHBondContact CA-OH 3.14Å; A187-Y203 WeakPolarHBondContact CB-OH 3.48Å; A187-F461 HydrophobicContact CB-CE1 4Å; A187-F461 HydrophobicContact CB-CZ 4.15Å |
| 188 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 179.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I184 N185 N186 N190 I191 G312 T313 T316 L320 F461 | I184-V188 HydrophobicContact CG2-CG2 4.26Å; I184-V188 WeakPolarHBondContact O-CG2 3.5Å; I184-V188 PolarHBondContact O-N 3.05Å; N185-V188 PolarHBondContact O-N 3.4Å; N186-V188 VanDerWaalsContact C-N 3.34Å; N186-V188 PolarHBondContact O-N 3.48Å; V188-N190 VanDerWaalsContact C-N 3.29Å; V188-N190 PolarHBondContact O-N 3.41Å; V188-I191 WeakPolarHBondContact O-CB 3.23Å; V188-I191 PolarHBondContact O-N 3.28Å; V188-G312 WeakPolarHBondContact CG1-O 3.4Å; V188-T313 WeakPolarHBondContact CG1-O 3.47Å; V188-T316 HydrophobicContact CG1-CG2 4.06Å; V188-T316 HydrophobicContact CG2-CG2 4.06Å; V188-L320 HydrophobicContact CG2-CD1 3.74Å; V188-F461 HydrophobicContact CG2-CD2 4.38Å; V188-F461 HydrophobicContact CG2-CE2 4.13Å |
| 189 | S | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.6 | -38.2 | 177.5 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | N185 N186 I191 I192 C193 L212 T313 | N185-S189 VanDerWaalsContact O-CB 3.23Å; N185-S189 WeakPolarHBondContact O-CB 3.25Å; N185-S189 PolarHBondContact O-N 2.91Å; N185-S189 PolarHBondContact O-OG 3.12Å; N186-S189 PolarHBondContact O-N 3.48Å; N186-S189 VanDerWaalsContact O-N 3.14Å; S189-I191 PolarHBondContact O-N 2.72Å; S189-I192 VanDerWaalsContact O-CG2 3.25Å; S189-I192 WeakPolarHBondContact O-CG2 3.44Å; S189-I192 PolarHBondContact O-N 3.32Å; S189-C193 VanDerWaalsContact O-CB 3.28Å; S189-C193 WeakPolarHBondContact O-CB 3.43Å; S189-C193 PolarHBondContact O-N 3.43Å; S189-C193 PolarHBondContact O-SG 3.28Å; S189-L212 WeakPolarHBondContact OG-CD2 3.4Å; S189-T313 WeakPolarHBondContact OG-CB 3.41Å; S189-T313 WeakPolarHBondContact OG-CG2 3.21Å; S189-T313 PolarHBondContact OG-OG1 3.38Å |
| 190 | N | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.011 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -33.1 | 178.4 | -86.8 | -18.2 | 0 | 0 | 0 | 112.6 | E162 N186 A187 V188 S194 R200 F201 | E162-N190 HydrophobicContact CG-CB 4Å; E162-N190 PolarHBondContact OE1-ND2 2.94Å; E162-N190 PolarHBondContact OE2-ND2 3.48Å; N186-N190 PolarHBondContact O-N 3.38Å; N186-N190 PolarHBondContact OD1-ND2 3.06Å; N186-N190 VanDerWaalsContact OD1-ND2 3.09Å; A187-N190 PolarHBondContact O-N 2.85Å; V188-N190 VanDerWaalsContact C-N 3.29Å; V188-N190 PolarHBondContact O-N 3.41Å; N190-S194 WeakPolarHBondContact O-CB 3.32Å; N190-S194 PolarHBondContact O-N 2.94Å; N190-R200 HydrophobicContact CB-CB 4.23Å; N190-F201 PolarHBondContact ND2-O 2.82Å; N190-F201 PolarHBondContact OD1-N 2.91Å; N190-F201 PolarHBondContact OD1-O 2.81Å |
| 191 | I | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.5 | -53.9 | 174.7 | -53 | -52.6 | 0 | 0 | 0 | 110.5 | L155 I159 E162 V188 S189 S194 I195 L453 E457 F461 | L155-I191 HydrophobicContact CD1-CG2 4.26Å; I159-I191 HydrophobicContact CB-CD1 4.22Å; I159-I191 HydrophobicContact CD1-CG2 4.34Å; I159-I191 HydrophobicContact CG1-CD1 3.76Å; I159-I191 HydrophobicContact CG1-CG1 4.13Å; I159-I191 HydrophobicContact CG1-CG2 3.87Å; E162-I191 HydrophobicContact CB-CD1 3.61Å; E162-I191 HydrophobicContact CG-CD1 3.93Å; V188-I191 WeakPolarHBondContact O-CB 3.23Å; V188-I191 PolarHBondContact O-N 3.28Å; S189-I191 PolarHBondContact O-N 2.72Å; I191-S194 PolarHBondContact O-N 3.14Å; I191-S194 PolarHBondContact O-OG 2.84Å; I191-I195 WeakPolarHBondContact O-CG1 3.28Å; I191-I195 PolarHBondContact O-N 3.2Å; I191-L453 HydrophobicContact CG2-CD1 4.05Å; I191-E457 WeakPolarHBondContact CB-OE1 3.21Å; I191-E457 HydrophobicContact CG1-CG 4.46Å; I191-E457 HydrophobicContact CG2-CG 4.43Å; I191-E457 WeakPolarHBondContact CG2-OE1 3.33Å; I191-F461 HydrophobicContact CD1-CZ 4.19Å; I191-F461 HydrophobicContact CG1-CE2 4.11Å; I191-F461 HydrophobicContact CG1-CZ 3.99Å |
| 192 | I | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.7 | -35.1 | -178.8 | -166.5 | 60.8 | 0 | 0 | 0 | 111.8 | S189 S194 I195 T196 L308 F309 L453 | S189-I192 VanDerWaalsContact O-CG2 3.25Å; S189-I192 WeakPolarHBondContact O-CG2 3.44Å; S189-I192 PolarHBondContact O-N 3.32Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 PolarHBondContact O-N 3.39Å; I192-I195 HydrophobicContact CD1-CB 4.46Å; I192-I195 HydrophobicContact CD1-CD1 4.37Å; I192-I195 CarbonylContact O-C 3.52Å; I192-I195 WeakPolarHBondContact O-CB 3.35Å; I192-I195 PolarHBondContact O-N 3.41Å; I192-T196 HydrophobicContact CD1-CG2 4.1Å; I192-T196 HydrophobicContact CG1-CG2 4.03Å; I192-T196 WeakPolarHBondContact O-CG2 3.36Å; I192-T196 PolarHBondContact O-N 3.49Å; I192-T196 PolarHBondContact O-OG1 3.2Å; I192-L308 HydrophobicContact CD1-CB 4.37Å; I192-L308 HydrophobicContact CG1-CB 4.39Å; I192-L308 WeakPolarHBondContact CG1-O 3.36Å; I192-F309 HydrophobicContact CG2-CD2 4.15Å; I192-L453 HydrophobicContact CD1-CD2 4.46Å |
| 193 | C | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 173 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | S189 I195 T196 F197 G198 E199 F201 F309 | S189-C193 VanDerWaalsContact O-CB 3.28Å; S189-C193 WeakPolarHBondContact O-CB 3.43Å; S189-C193 PolarHBondContact O-N 3.43Å; S189-C193 PolarHBondContact O-SG 3.28Å; C193-I195 PolarHBondContact O-N 3.46Å; C193-T196 PolarHBondContact O-N 3.25Å; C193-F197 HydrophobicContact CB-CD2 3.8Å; C193-F197 HydrophobicContact CB-CE2 4.42Å; C193-F197 WeakPolarHBondContact O-CA 3.27Å; C193-F197 WeakPolarHBondContact O-CB 3.33Å; C193-F197 PolarHBondContact O-N 3.39Å; C193-G198 PolarHBondContact O-N 2.87Å; C193-E199 CarbonylContact C-O 3.47Å; C193-E199 VanDerWaalsContact C-O 3.24Å; C193-E199 WeakPolarHBondContact CB-O 3.4Å; C193-F201 HydrophobicContact CB-CD2 4.14Å; C193-F201 HydrophobicContact CB-CE2 3.95Å; C193-F309 VanDerWaalsContact SG-CE2 3.6Å |
| 194 | S | 95.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 12% | 0.119 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.8 | -24.5 | 175.5 | 82 | 0 | 0 | 0 | 0 | 113.3 | R158 N190 I191 I192 E199 | R158-S194 PolarHBondContact NH1-O 3.17Å; N190-S194 WeakPolarHBondContact O-CB 3.32Å; N190-S194 PolarHBondContact O-N 2.94Å; I191-S194 PolarHBondContact O-N 3.14Å; I191-S194 PolarHBondContact O-OG 2.84Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 PolarHBondContact O-N 3.39Å; S194-E199 PolarHBondContact N-O 3.35Å |
| 195 | I | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -89.9 | -37.2 | 177.9 | -60.5 | 168.6 | 0 | 0 | 0 | 110.8 | L145 F148 L155 I191 I192 C193 D276 F277 L453 | L145-I195 HydrophobicContact CD2-CG2 3.58Å; F148-I195 HydrophobicContact CB-CG2 4.07Å; F148-I195 HydrophobicContact CD2-CG2 4.43Å; L155-I195 HydrophobicContact CD1-CD1 3.92Å; L155-I195 HydrophobicContact CD1-CG1 4.15Å; L155-I195 HydrophobicContact CD2-CD1 4.02Å; I191-I195 WeakPolarHBondContact O-CG1 3.28Å; I191-I195 PolarHBondContact O-N 3.2Å; I192-I195 HydrophobicContact CD1-CB 4.46Å; I192-I195 HydrophobicContact CD1-CD1 4.37Å; I192-I195 CarbonylContact O-C 3.52Å; I192-I195 WeakPolarHBondContact O-CB 3.35Å; I192-I195 PolarHBondContact O-N 3.41Å; C193-I195 PolarHBondContact O-N 3.46Å; I195-D276 WeakPolarHBondContact O-CB 3.42Å; I195-F277 PolarHBondContact O-N 2.99Å; I195-L453 HydrophobicContact CD1-CD2 4.03Å |
| 196 | T | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -91.3 | -40.7 | -173.9 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | I192 C193 F277 I278 L308 | I192-T196 HydrophobicContact CD1-CG2 4.1Å; I192-T196 HydrophobicContact CG1-CG2 4.03Å; I192-T196 WeakPolarHBondContact O-CG2 3.36Å; I192-T196 PolarHBondContact O-N 3.49Å; I192-T196 PolarHBondContact O-OG1 3.2Å; C193-T196 PolarHBondContact O-N 3.25Å; T196-F277 HydrophobicContact CG2-CB 4.45Å; T196-I278 WeakPolarHBondContact O-CD1 3.4Å; T196-I278 VanDerWaalsContact O-CG1 3.31Å; T196-I278 WeakPolarHBondContact O-CG1 3.4Å; T196-L308 HydrophobicContact CG2-CB 3.87Å; T196-L308 HydrophobicContact CG2-CD1 3.97Å |
| 197 | F | 95.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -5.9 | -174.4 | -55 | -41.8 | 0 | 0 | 0 | 113.3 | C193 E199 F201 F257 V258 M261 H265 I278 T305 F309 | C193-F197 HydrophobicContact CB-CD2 3.8Å; C193-F197 HydrophobicContact CB-CE2 4.42Å; C193-F197 WeakPolarHBondContact O-CA 3.27Å; C193-F197 WeakPolarHBondContact O-CB 3.33Å; C193-F197 PolarHBondContact O-N 3.39Å; F197-E199 HydrophobicContact CB-CG 4.43Å; F197-E199 PolarHBondContact O-N 3.12Å; F197-F201 AromaticContact CD2-CE2 3.98Å; F197-F201 HydrophobicContact CD2-CE2 3.98Å; F197-F201 HydrophobicContact CD2-CZ 4.37Å; F197-F257 AromaticContact CE2-CE1 3.93Å; F197-F257 HydrophobicContact CE2-CE1 3.93Å; F197-F257 AromaticContact CZ-CE1 3.96Å; F197-F257 HydrophobicContact CZ-CE1 3.96Å; F197-V258 HydrophobicContact CZ-CG2 4.38Å; F197-M261 HydrophobicContact CB-CE 3.72Å; F197-M261 HydrophobicContact CD1-CB 4.04Å; F197-M261 HydrophobicContact CD1-CE 4.32Å; F197-M261 HydrophobicContact CD1-CG 4.12Å; F197-M261 HydrophobicContact CE1-CB 4.2Å; F197-M261 HydrophobicContact CE1-CG 4.2Å; F197-M261 HydrophobicContact CG-CE 4.02Å; F197-H265 PolarHBondContact O-CE1 3.34Å; F197-H265 PolarHBondContact O-NE2 3.2Å; F197-I278 HydrophobicContact CD1-CD1 3.7Å; F197-I278 HydrophobicContact CE1-CD1 4.18Å; F197-T305 HydrophobicContact CD1-CG2 4.27Å; F197-T305 HydrophobicContact CE1-CG2 3.48Å; F197-T305 VanDerWaalsContact CE1-CG2 3.48Å; F197-T305 HydrophobicContact CZ-CG2 4.18Å; F197-F309 HydrophobicContact CE2-CD2 4.3Å |
| 198 | G | 93.2 | Very high | 95.2 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 44% | 0.443 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 73.1 | 0.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C193 | C193-G198 PolarHBondContact O-N 2.87Š|
| 199 | E | 92.3 | Very high | 95.1 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 29% | 0.29 | 21% | 0.208 | S | C | . | . | trans | -138.1 | 153.9 | -176.9 | 67.2 | -169.5 | 171.8 | 0 | 0 | 112.8 | C193 S194 F197 F201 M261 K264 | C193-E199 CarbonylContact C-O 3.47Å; C193-E199 VanDerWaalsContact C-O 3.24Å; C193-E199 WeakPolarHBondContact CB-O 3.4Å; S194-E199 PolarHBondContact N-O 3.35Å; F197-E199 HydrophobicContact CB-CG 4.43Å; F197-E199 PolarHBondContact O-N 3.12Å; E199-F201 HydrophobicContact CG-CZ 4.21Å; E199-M261 HydrophobicContact CG-CE 4.38Å; E199-M261 WeakPolarHBondContact OE1-CE 3.49Å; E199-K264 IonicContact OE1-NZ 3.55Å; E199-K264 PolarHBondContact OE1-NZ 3.18Å; E199-K264 IonicContact OE2-NZ 3.81Å; E199-K264 PolarHBondContact OE2-NZ 3.23Å | ||
| 200 | R | 94.9 | Very high | 95 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 28% | 0.275 | 23% | 0.228 | S | C | . | . | trans | -97 | 158.2 | 167.6 | 64.7 | 170.9 | -73 | -76.4 | 0.3 | 110 | E162 N190 E202 | E162-R200 IonicContact OE2-NE 2.99Å; E162-R200 PolarHBondContact OE2-NE 2.87Å; N190-R200 HydrophobicContact CB-CB 4.23Å; R200-E202 IonicContact CZ-OE1 3.43Å; R200-E202 IonicContact CZ-OE2 3.71Å; R200-E202 IonicContact NH1-OE1 3.07Å; R200-E202 PolarHBondContact NH1-OE1 2.97Å; R200-E202 IonicContact NH1-OE2 2.7Å; R200-E202 PolarHBondContact NH1-OE2 3.44Å; R200-E202 IonicContact NH2-OE1 3.33Å; R200-E202 IonicContact NH2-OE2 2.69Å; R200-E202 PolarHBondContact NH2-OE2 3.42Å | ||
| 201 | F | 95.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | trans | -112.9 | 146.7 | 177.9 | -63.3 | -87.2 | 0 | 0 | 0 | 111 | N190 C193 F197 E199 F208 F257 M261 | N190-F201 PolarHBondContact ND2-O 2.82Å; N190-F201 PolarHBondContact OD1-N 2.91Å; N190-F201 PolarHBondContact OD1-O 2.81Å; C193-F201 HydrophobicContact CB-CD2 4.14Å; C193-F201 HydrophobicContact CB-CE2 3.95Å; F197-F201 AromaticContact CD2-CE2 3.98Å; F197-F201 HydrophobicContact CD2-CE2 3.98Å; F197-F201 HydrophobicContact CD2-CZ 4.37Å; E199-F201 HydrophobicContact CG-CZ 4.21Å; F201-F208 HydrophobicContact CB-CB 3.94Å; F201-F208 HydrophobicContact CB-CD1 3.47Å; F201-F208 VanDerWaalsContact CB-CD1 3.47Å; F201-F208 HydrophobicContact CB-CD2 3.97Å; F201-F208 HydrophobicContact CB-CE1 3.82Å; F201-F208 HydrophobicContact CB-CE2 4.29Å; F201-F208 HydrophobicContact CB-CG 3.52Å; F201-F208 HydrophobicContact CB-CZ 4.2Å; F201-F208 HydrophobicContact CD1-CB 4.2Å; F201-F208 HydrophobicContact CD1-CD2 4.11Å; F201-F208 HydrophobicContact CD1-CG 4.21Å; F201-F208 HydrophobicContact CD2-CD1 4.41Å; F201-F208 AromaticContact CD2-CD2 3.57Å; F201-F208 HydrophobicContact CD2-CD2 3.57Å; F201-F208 HydrophobicContact CD2-CE1 4.25Å; F201-F208 AromaticContact CD2-CE2 3.4Å; F201-F208 HydrophobicContact CD2-CE2 3.4Å; F201-F208 VanDerWaalsContact CD2-CE2 3.4Å; F201-F208 HydrophobicContact CD2-CG 4.06Å; F201-F208 AromaticContact CD2-CZ 3.74Å; F201-F208 HydrophobicContact CD2-CZ 3.74Å; F201-F208 HydrophobicContact CE2-CD2 4.07Å; F201-F208 AromaticContact CE2-CE2 3.88Å; F201-F208 HydrophobicContact CE2-CE2 3.88Å; F201-F208 HydrophobicContact CG-CB 4.1Å; F201-F208 HydrophobicContact CG-CD1 4.07Å; F201-F208 AromaticContact CG-CD2 3.59Å; F201-F208 HydrophobicContact CG-CD2 3.59Å; F201-F208 HydrophobicContact CG-CE1 4.33Å; F201-F208 AromaticContact CG-CE2 3.91Å; F201-F208 HydrophobicContact CG-CE2 3.91Å; F201-F208 AromaticContact CG-CG 3.67Å; F201-F208 HydrophobicContact CG-CG 3.67Å; F201-F208 HydrophobicContact CG-CZ 4.23Å; F201-F257 HydrophobicContact CE1-CZ 4.43Å; F201-F257 HydrophobicContact CZ-CZ 4.04Å; F201-M261 HydrophobicContact CZ-CE 4.47Å | ||
| 202 | E | 95.3 | Very high | 94.9 | Very high | 103 Ų | 103 | 44.3 Ų | 44.3 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | trans | -72.8 | 154.3 | 176.9 | -62.6 | -56.5 | 162.5 | 0 | 0 | 112.2 | R200 Q204 D205 | R200-E202 IonicContact CZ-OE1 3.43Å; R200-E202 IonicContact CZ-OE2 3.71Å; R200-E202 IonicContact NH1-OE1 3.07Å; R200-E202 PolarHBondContact NH1-OE1 2.97Å; R200-E202 IonicContact NH1-OE2 2.7Å; R200-E202 PolarHBondContact NH1-OE2 3.44Å; R200-E202 IonicContact NH2-OE1 3.33Å; R200-E202 IonicContact NH2-OE2 2.69Å; R200-E202 PolarHBondContact NH2-OE2 3.42Å; E202-Q204 PolarHBondContact O-N 3.1Å; E202-D205 WeakPolarHBondContact O-CB 3.47Å; E202-D205 PolarHBondContact O-N 2.92Å; E202-D205 VanDerWaalsContact O-N 3.12Å | ||
| 203 | Y | 93 | Very high | 94.8 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 11% | 0.106 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.6 | -176.4 | -80 | -124.7 | 0 | 0 | 0 | 112.5 | E162 H165 L166 A169 N186 A187 Q209 | E162-Y203 WeakPolarHBondContact OE1-CE2 3.25Å; E162-Y203 PolarHBondContact OE1-OH 2.91Å; H165-Y203 HydrophobicContact CB-CE2 4.37Å; L166-Y203 HydrophobicContact CD1-CE1 4.29Å; A169-Y203 HydrophobicContact CB-CD1 3.92Å; A169-Y203 HydrophobicContact CB-CE1 3.97Å; N186-Y203 HydrophobicContact CB-CD1 4.3Å; N186-Y203 HydrophobicContact CB-CE1 4.2Å; N186-Y203 WeakPolarHBondContact ND2-CA 3.33Å; A187-Y203 VanDerWaalsContact CA-OH 3.3Å; A187-Y203 WeakPolarHBondContact CA-OH 3.14Å; A187-Y203 WeakPolarHBondContact CB-OH 3.48Å; Y203-Q209 PolarHBondContact O-NE2 3.01Å |
| 204 | Q | 91.8 | Very high | 94.8 | Very high | 146 Ų | 146 | 48.9 Ų | 48.9 | 68% | 0.682 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3 | 178.7 | -58.6 | 76.6 | 22.4 | 0 | 0 | 113.2 | E202 S206 | E202-Q204 PolarHBondContact O-N 3.1Å; Q204-S206 PolarHBondContact O-N 2.98Å; Q204-S206 VanDerWaalsContact O-N 3.07Å |
| 205 | D | 94.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | trans | -63.7 | 111.2 | 175.3 | -175 | -44.7 | 0 | 0 | 0 | 109.9 | E202 Q207 F208 Q209 | E202-D205 WeakPolarHBondContact O-CB 3.47Å; E202-D205 PolarHBondContact O-N 2.92Å; E202-D205 VanDerWaalsContact O-N 3.12Å; D205-Q207 VanDerWaalsContact C-N 3.33Å; D205-Q207 PolarHBondContact O-N 2.73Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.29Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.36Å; D205-Q207 PolarHBondContact OD1-N 2.98Å; D205-F208 HydrophobicContact CB-CB 3.95Å; D205-F208 PolarHBondContact O-N 2.72Å; D205-F208 PolarHBondContact OD1-N 3.12Å; D205-Q209 WeakPolarHBondContact O-CB 3.15Å; D205-Q209 VanDerWaalsContact O-CG 3.27Å; D205-Q209 WeakPolarHBondContact O-CG 2.96Å; D205-Q209 PolarHBondContact O-N 3Å | ||
| 206 | S | 94.1 | Very high | 94.8 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 67% | 0.671 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.4 | -31.3 | -175.3 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | Q204 E210 | Q204-S206 PolarHBondContact O-N 2.98Å; Q204-S206 VanDerWaalsContact O-N 3.07Å; S206-E210 WeakPolarHBondContact O-CB 3.4Å; S206-E210 PolarHBondContact O-N 2.8Å; S206-E210 VanDerWaalsContact O-N 3.09Å |
| 207 | Q | 93.1 | Very high | 94.8 | Very high | 141 Ų | 141 | 52.8 Ų | 52.8 | 66% | 0.659 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -71.9 | -42.3 | 177.1 | -62.4 | -172.5 | 23.9 | 0 | 0 | 110.4 | D205 E210 L211 | D205-Q207 VanDerWaalsContact C-N 3.33Å; D205-Q207 PolarHBondContact O-N 2.73Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.29Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.36Å; D205-Q207 PolarHBondContact OD1-N 2.98Å; Q207-E210 PolarHBondContact O-N 2.98Å; Q207-L211 PolarHBondContact O-N 2.95Å |
| 208 | F | 94.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.5 | -166.8 | -119.4 | 0 | 0 | 0 | 112 | N186 F201 D205 E210 L211 L212 F309 | N186-F208 WeakPolarHBondContact OD1-CE1 2.89Å; F201-F208 HydrophobicContact CB-CB 3.94Å; F201-F208 HydrophobicContact CB-CD1 3.47Å; F201-F208 VanDerWaalsContact CB-CD1 3.47Å; F201-F208 HydrophobicContact CB-CD2 3.97Å; F201-F208 HydrophobicContact CB-CE1 3.82Å; F201-F208 HydrophobicContact CB-CE2 4.29Å; F201-F208 HydrophobicContact CB-CG 3.52Å; F201-F208 HydrophobicContact CB-CZ 4.2Å; F201-F208 HydrophobicContact CD1-CB 4.2Å; F201-F208 HydrophobicContact CD1-CD2 4.11Å; F201-F208 HydrophobicContact CD1-CG 4.21Å; F201-F208 HydrophobicContact CD2-CD1 4.41Å; F201-F208 AromaticContact CD2-CD2 3.57Å; F201-F208 HydrophobicContact CD2-CD2 3.57Å; F201-F208 HydrophobicContact CD2-CE1 4.25Å; F201-F208 AromaticContact CD2-CE2 3.4Å; F201-F208 HydrophobicContact CD2-CE2 3.4Å; F201-F208 VanDerWaalsContact CD2-CE2 3.4Å; F201-F208 HydrophobicContact CD2-CG 4.06Å; F201-F208 AromaticContact CD2-CZ 3.74Å; F201-F208 HydrophobicContact CD2-CZ 3.74Å; F201-F208 HydrophobicContact CE2-CD2 4.07Å; F201-F208 AromaticContact CE2-CE2 3.88Å; F201-F208 HydrophobicContact CE2-CE2 3.88Å; F201-F208 HydrophobicContact CG-CB 4.1Å; F201-F208 HydrophobicContact CG-CD1 4.07Å; F201-F208 AromaticContact CG-CD2 3.59Å; F201-F208 HydrophobicContact CG-CD2 3.59Å; F201-F208 HydrophobicContact CG-CE1 4.33Å; F201-F208 AromaticContact CG-CE2 3.91Å; F201-F208 HydrophobicContact CG-CE2 3.91Å; F201-F208 AromaticContact CG-CG 3.67Å; F201-F208 HydrophobicContact CG-CG 3.67Å; F201-F208 HydrophobicContact CG-CZ 4.23Å; D205-F208 HydrophobicContact CB-CB 3.95Å; D205-F208 PolarHBondContact O-N 2.72Å; D205-F208 PolarHBondContact OD1-N 3.12Å; F208-E210 VanDerWaalsContact C-N 3.3Å; F208-E210 PolarHBondContact O-N 3.4Å; F208-L211 HydrophobicContact CD2-CD2 3.95Å; F208-L211 HydrophobicContact CE2-CD2 4.08Å; F208-L211 VanDerWaalsContact O-CB 3.28Å; F208-L211 WeakPolarHBondContact O-CB 3.31Å; F208-L211 PolarHBondContact O-N 3.44Å; F208-L211 VanDerWaalsContact O-N 3.1Å; F208-L212 HydrophobicContact CD1-CD1 4.14Å; F208-L212 HydrophobicContact CD1-CG 4.43Å; F208-L212 HydrophobicContact CE1-CD1 4.02Å; F208-L212 HydrophobicContact CE1-CD2 4.37Å; F208-L212 HydrophobicContact CE1-CG 4.33Å; F208-L212 HydrophobicContact CZ-CD2 4.26Å; F208-L212 WeakPolarHBondContact O-CG 3.38Å; F208-L212 PolarHBondContact O-N 3.05Å; F208-F309 HydrophobicContact CE2-CE2 4.07Å; F208-F309 HydrophobicContact CE2-CZ 4.18Å; F208-F309 HydrophobicContact CZ-CE2 4.39Å |
| 209 | Q | 95.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | 173.6 | -71.8 | -55.1 | -58.2 | 0 | 0 | 112.3 | N186 Y203 D205 L211 L212 K213 | N186-Q209 PolarHBondContact ND2-NE2 2.95Å; Y203-Q209 PolarHBondContact O-NE2 3.01Å; D205-Q209 WeakPolarHBondContact O-CB 3.15Å; D205-Q209 VanDerWaalsContact O-CG 3.27Å; D205-Q209 WeakPolarHBondContact O-CG 2.96Å; D205-Q209 PolarHBondContact O-N 3Å; Q209-L211 VanDerWaalsContact C-N 3.35Å; Q209-L212 PolarHBondContact O-N 2.9Å; Q209-K213 WeakPolarHBondContact O-CG 3.22Å; Q209-K213 PolarHBondContact O-N 3.29Å; Q209-K213 VanDerWaalsContact O-N 3.12Å |
| 210 | E | 95.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 49 Ų | 49 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 173.3 | -176.2 | 64.1 | -174.4 | 0 | 0 | 111.5 | S206 Q207 F208 L212 K213 L214 | S206-E210 WeakPolarHBondContact O-CB 3.4Å; S206-E210 PolarHBondContact O-N 2.8Å; S206-E210 VanDerWaalsContact O-N 3.09Å; Q207-E210 PolarHBondContact O-N 2.98Å; F208-E210 VanDerWaalsContact C-N 3.3Å; F208-E210 PolarHBondContact O-N 3.4Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 2.91Å; E210-K213 PolarHBondContact O-N 3.06Å; E210-L214 HydrophobicContact CG-CD1 4.41Å; E210-L214 VanDerWaalsContact O-CG 3.32Å; E210-L214 WeakPolarHBondContact O-CG 3.3Å; E210-L214 PolarHBondContact O-N 3.35Å |
| 211 | L | 96 | Very high | 94.7 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 175.9 | -168.1 | 76 | 0 | 0 | 0 | 112.1 | Q207 F208 Q209 K213 L214 L215 L254 F257 F309 | Q207-L211 PolarHBondContact O-N 2.95Å; F208-L211 HydrophobicContact CD2-CD2 3.95Å; F208-L211 HydrophobicContact CE2-CD2 4.08Å; F208-L211 VanDerWaalsContact O-CB 3.28Å; F208-L211 WeakPolarHBondContact O-CB 3.31Å; F208-L211 PolarHBondContact O-N 3.44Å; F208-L211 VanDerWaalsContact O-N 3.1Å; Q209-L211 VanDerWaalsContact C-N 3.35Å; L211-K213 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 3.14Å; L211-L214 PolarHBondContact O-N 3.25Å; L211-L215 WeakPolarHBondContact O-CB 3.15Å; L211-L215 PolarHBondContact O-N 3.46Å; L211-L254 HydrophobicContact CD1-CD2 3.41Å; L211-L254 VanDerWaalsContact CD1-CD2 3.41Å; L211-L254 HydrophobicContact CG-CD2 4.06Å; L211-F257 HydrophobicContact CD1-CB 3.9Å; L211-F257 HydrophobicContact CD1-CD1 3.78Å; L211-F257 HydrophobicContact CD1-CD2 4.25Å; L211-F257 HydrophobicContact CD1-CE1 4.41Å; L211-F257 HydrophobicContact CD1-CG 3.7Å; L211-F257 HydrophobicContact CD2-CD1 3.67Å; L211-F257 HydrophobicContact CD2-CE1 3.45Å; L211-F257 VanDerWaalsContact CD2-CE1 3.45Å; L211-F257 HydrophobicContact CD2-CE2 4.32Å; L211-F257 HydrophobicContact CD2-CG 4.21Å; L211-F257 HydrophobicContact CD2-CZ 3.81Å; L211-F257 HydrophobicContact CG-CD1 4.42Å; L211-F309 HydrophobicContact CD1-CE1 4.49Å; L211-F309 HydrophobicContact CD2-CD1 4.47Å; L211-F309 HydrophobicContact CD2-CE1 3.47Å; L211-F309 VanDerWaalsContact CD2-CE1 3.47Å; L211-F309 HydrophobicContact CD2-CE2 4.29Å; L211-F309 HydrophobicContact CD2-CZ 3.36Å; L211-F309 HydrophobicContact CG-CE1 3.74Å; L211-F309 HydrophobicContact CG-CZ 3.92Å |
| 212 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 177.1 | -63.1 | 177.8 | 0 | 0 | 0 | 112.3 | F182 N185 N186 S189 F208 Q209 E210 L215 D216 F309 T313 | F182-L212 HydrophobicContact CD1-CB 4.09Å; F182-L212 HydrophobicContact CE1-CB 4.33Å; N185-L212 HydrophobicContact CB-CD1 4.29Å; N185-L212 HydrophobicContact CB-CD2 4.47Å; N186-L212 HydrophobicContact CB-CD1 3.87Å; S189-L212 WeakPolarHBondContact OG-CD2 3.4Å; F208-L212 HydrophobicContact CD1-CD1 4.14Å; F208-L212 HydrophobicContact CD1-CG 4.43Å; F208-L212 HydrophobicContact CE1-CD1 4.02Å; F208-L212 HydrophobicContact CE1-CD2 4.37Å; F208-L212 HydrophobicContact CE1-CG 4.33Å; F208-L212 HydrophobicContact CZ-CD2 4.26Å; F208-L212 WeakPolarHBondContact O-CG 3.38Å; F208-L212 PolarHBondContact O-N 3.05Å; Q209-L212 PolarHBondContact O-N 2.9Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 2.91Å; L212-L215 PolarHBondContact O-N 2.8Å; L212-D216 PolarHBondContact O-N 3.19Å; L212-F309 HydrophobicContact CD2-CZ 4.25Å; L212-T313 HydrophobicContact CD2-CG2 4.2Å |
| 213 | K | 96.5 | Very high | 94.1 | Very high | 89 Ų | 89 | 43.1 Ų | 43.1 | 39% | 0.387 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.3 | -70.7 | 170.2 | -173 | 172.6 | 0 | 111.9 | F182 Q209 E210 L211 L215 D216 E217 | F182-K213 HydrophobicContact CE1-CB 4.47Å; F182-K213 HydrophobicContact CE1-CG 3.79Å; F182-K213 HydrophobicContact CE2-CG 4.32Å; F182-K213 HydrophobicContact CZ-CB 4.47Å; F182-K213 HydrophobicContact CZ-CG 3.67Å; Q209-K213 WeakPolarHBondContact O-CG 3.22Å; Q209-K213 PolarHBondContact O-N 3.29Å; Q209-K213 VanDerWaalsContact O-N 3.12Å; E210-K213 PolarHBondContact O-N 3.06Å; L211-K213 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 3.14Å; K213-L215 VanDerWaalsContact C-N 3.26Å; K213-L215 PolarHBondContact O-N 3.47Å; K213-D216 PolarHBondContact O-N 3.41Å; K213-E217 WeakPolarHBondContact O-CB 3.39Å; K213-E217 WeakPolarHBondContact O-CG 3.15Å; K213-E217 PolarHBondContact O-N 3.48Å |
| 214 | L | 96.9 | Very high | 94 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 174.9 | -68.2 | 171.8 | 0 | 0 | 0 | 111 | E210 L211 E217 V218 N250 K253 L254 | E210-L214 HydrophobicContact CG-CD1 4.41Å; E210-L214 VanDerWaalsContact O-CG 3.32Å; E210-L214 WeakPolarHBondContact O-CG 3.3Å; E210-L214 PolarHBondContact O-N 3.35Å; L211-L214 PolarHBondContact O-N 3.25Å; L214-E217 PolarHBondContact O-N 3.27Å; L214-V218 WeakPolarHBondContact O-CG1 3.13Å; L214-V218 WeakPolarHBondContact O-CG2 3.43Å; L214-V218 PolarHBondContact O-N 2.94Å; L214-N250 HydrophobicContact CD2-CB 4.05Å; L214-N250 VanDerWaalsContact CD2-CG 3.49Å; L214-N250 WeakPolarHBondContact CD2-OD1 3.45Å; L214-K253 HydrophobicContact CD1-CB 3.91Å; L214-K253 HydrophobicContact CD1-CD 4Å; L214-K253 HydrophobicContact CD2-CD 4Å; L214-L254 HydrophobicContact CB-CD2 4.02Å; L214-L254 HydrophobicContact CB-CG 4.31Å |
| 215 | L | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.3 | -163.1 | 155.6 | 0 | 0 | 0 | 112.1 | L211 L212 K213 V218 T219 F309 F310 T313 E314 | L211-L215 WeakPolarHBondContact O-CB 3.15Å; L211-L215 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 2.8Å; K213-L215 VanDerWaalsContact C-N 3.26Å; K213-L215 PolarHBondContact O-N 3.47Å; L215-V218 VanDerWaalsContact O-CG2 3.23Å; L215-V218 WeakPolarHBondContact O-CG2 3.41Å; L215-T219 PolarHBondContact O-N 3.09Å; L215-T219 PolarHBondContact O-OG1 3.17Å; L215-F309 HydrophobicContact CD1-CD1 3.78Å; L215-F309 HydrophobicContact CD1-CE1 3.41Å; L215-F309 VanDerWaalsContact CD1-CE1 3.41Å; L215-F309 HydrophobicContact CD1-CZ 3.93Å; L215-F310 HydrophobicContact CD1-CD2 4.42Å; L215-F310 HydrophobicContact CD2-CD2 3.85Å; L215-F310 HydrophobicContact CD2-CE2 4.09Å; L215-F310 HydrophobicContact CG-CD2 3.87Å; L215-F310 HydrophobicContact CG-CE2 4.44Å; L215-T313 HydrophobicContact CD1-CG2 4.24Å; L215-T313 HydrophobicContact CD2-CG2 4.27Å; L215-E314 HydrophobicContact CD2-CB 3.71Å; L215-E314 HydrophobicContact CD2-CG 4.44Å |
| 216 | D | 95.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -53.2 | 171.7 | -172.5 | 71 | 0 | 0 | 0 | 109.9 | H181 F182 L212 K213 V218 T219 Y220 R484 | H181-D216 IonicContact CE1-OD1 3.41Å; H181-D216 PolarHBondContact CE1-OD1 3.11Å; H181-D216 IonicContact CE1-OD2 3.53Å; H181-D216 IonicContact NE2-OD1 3.01Å; H181-D216 PolarHBondContact NE2-OD1 3.42Å; F182-D216 HydrophobicContact CE1-CB 4.38Å; F182-D216 HydrophobicContact CZ-CB 4.46Å; L212-D216 PolarHBondContact O-N 3.19Å; K213-D216 PolarHBondContact O-N 3.41Å; D216-V218 PolarHBondContact O-N 3.47Å; D216-T219 VanDerWaalsContact O-CB 3.25Å; D216-T219 WeakPolarHBondContact O-CB 3.49Å; D216-T219 PolarHBondContact O-N 3.04Å; D216-T219 VanDerWaalsContact O-N 3.12Å; D216-Y220 WeakPolarHBondContact O-CD2 3.5Å; D216-Y220 WeakPolarHBondContact O-CE2 3.34Å; D216-Y220 PolarHBondContact O-N 3.3Å; D216-Y220 WeakPolarHBondContact OD1-CE2 3.35Å; D216-R484 VanDerWaalsContact CG-NH2 3.31Å; D216-R484 IonicContact OD1-CZ 3.65Å; D216-R484 IonicContact OD1-NH1 3.62Å; D216-R484 IonicContact OD1-NH2 3.85Å; D216-R484 PolarHBondContact OD1-NH2 3.26Å; D216-R484 IonicContact OD2-CZ 2.95Å; D216-R484 IonicContact OD2-NH1 3.83Å; D216-R484 PolarHBondContact OD2-NH1 2.87Å; D216-R484 IonicContact OD2-NH2 2.66Å; D216-R484 PolarHBondContact OD2-NH2 3.47Å |
| 217 | E | 95.7 | Very high | 93.7 | Very high | 89 Ų | 89 | 35.3 Ų | 35.3 | 42% | 0.416 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.8 | -47.6 | -177.4 | -75.9 | -176.7 | -177.9 | 0 | 0 | 113.3 | K213 L214 T219 Y220 L221 N250 | K213-E217 WeakPolarHBondContact O-CB 3.39Å; K213-E217 WeakPolarHBondContact O-CG 3.15Å; K213-E217 PolarHBondContact O-N 3.48Å; L214-E217 PolarHBondContact O-N 3.27Å; E217-T219 PolarHBondContact O-N 3.49Å; E217-Y220 PolarHBondContact O-N 3.37Å; E217-L221 HydrophobicContact CB-CD1 4.42Å; E217-L221 WeakPolarHBondContact O-CB 3.38Å; E217-L221 WeakPolarHBondContact O-CG 3.21Å; E217-L221 PolarHBondContact O-N 2.54Å; E217-N250 PolarHBondContact OE2-ND2 3.21Å |
| 218 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 179.9 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | L214 L215 D216 Y220 L221 E222 L247 N250 W251 L254 F310 | L214-V218 WeakPolarHBondContact O-CG1 3.13Å; L214-V218 WeakPolarHBondContact O-CG2 3.43Å; L214-V218 PolarHBondContact O-N 2.94Å; L215-V218 VanDerWaalsContact O-CG2 3.23Å; L215-V218 WeakPolarHBondContact O-CG2 3.41Å; D216-V218 PolarHBondContact O-N 3.47Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 2.93Å; V218-L221 PolarHBondContact O-N 3.33Å; V218-E222 WeakPolarHBondContact O-CB 3.04Å; V218-E222 PolarHBondContact O-N 3.14Å; V218-L247 HydrophobicContact CB-CD1 3.84Å; V218-L247 HydrophobicContact CG1-CD1 4.06Å; V218-N250 HydrophobicContact CG1-CB 3.48Å; V218-N250 VanDerWaalsContact CG1-CB 3.48Å; V218-W251 HydrophobicContact CB-CZ2 4.09Å; V218-W251 HydrophobicContact CG1-CD2 4.31Å; V218-W251 HydrophobicContact CG1-CG 4.36Å; V218-W251 HydrophobicContact CG2-CH2 4.06Å; V218-W251 HydrophobicContact CG2-CZ2 3.81Å; V218-L254 HydrophobicContact CG1-CD1 4.3Å; V218-L254 HydrophobicContact CG2-CD1 4.15Å; V218-F310 HydrophobicContact CG2-CE2 4.4Å |
| 219 | T | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.4 | -60.1 | 0 | 0 | 0 | 0 | 112 | L215 D216 E217 F310 E314 G486 I487 T488 | L215-T219 PolarHBondContact O-N 3.09Å; L215-T219 PolarHBondContact O-OG1 3.17Å; D216-T219 VanDerWaalsContact O-CB 3.25Å; D216-T219 WeakPolarHBondContact O-CB 3.49Å; D216-T219 PolarHBondContact O-N 3.04Å; D216-T219 VanDerWaalsContact O-N 3.12Å; E217-T219 PolarHBondContact O-N 3.49Å; T219-F310 VanDerWaalsContact OG1-CE2 3.3Å; T219-F310 WeakPolarHBondContact OG1-CE2 3.5Å; T219-E314 HydrophobicContact CG2-CG 3.96Å; T219-G486 CarbonylContact O-C 3.5Å; T219-G486 WeakPolarHBondContact O-CA 3.4Å; T219-I487 HydrophobicContact CG2-CB 4.18Å; T219-I487 PolarHBondContact O-N 2.85Å; T219-T488 WeakPolarHBondContact CG2-OG1 3.38Å |
| 220 | Y | 91.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -84.9 | -39.1 | 178.3 | -59.1 | -74.5 | 0 | 0 | 0 | 112.4 | D216 E217 V218 E222 A223 S224 E314 R484 S490 | D216-Y220 WeakPolarHBondContact O-CD2 3.5Å; D216-Y220 WeakPolarHBondContact O-CE2 3.34Å; D216-Y220 PolarHBondContact O-N 3.3Å; D216-Y220 WeakPolarHBondContact OD1-CE2 3.35Å; E217-Y220 PolarHBondContact O-N 3.37Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 2.93Å; Y220-E222 VanDerWaalsContact C-N 3.27Å; Y220-E222 PolarHBondContact O-N 3Å; Y220-A223 PolarHBondContact O-N 3.3Å; Y220-S224 PolarHBondContact O-N 2.91Å; Y220-E314 PolarHBondContact OH-OE1 3.1Å; Y220-R484 HydrophobicContact CD1-CB 4.48Å; Y220-R484 HydrophobicContact CD1-CG 3.48Å; Y220-R484 VanDerWaalsContact CD1-CG 3.48Å; Y220-R484 VanDerWaalsContact CD2-CZ 3.47Å; Y220-R484 HydrophobicContact CE1-CB 4.01Å; Y220-R484 HydrophobicContact CE1-CG 3.45Å; Y220-R484 VanDerWaalsContact CE1-CG 3.45Å; Y220-R484 HydrophobicContact CG-CG 4.35Å; Y220-R484 PolarHBondContact OH-NE 2.92Å; Y220-R484 PolarHBondContact OH-NH2 3.09Å; Y220-S490 WeakPolarHBondContact OH-CB 3.29Å; Y220-S490 PolarHBondContact OH-OG 3.47Å |
| 221 | L | 93.3 | Very high | 93.5 | Very high | 33 Ų | 33 | 28 Ų | 28 | 17% | 0.173 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | -179.7 | -72.8 | 174.2 | 0 | 0 | 0 | 111.5 | E217 V218 A223 S224 C227 P243 T246 L247 | E217-L221 HydrophobicContact CB-CD1 4.42Å; E217-L221 WeakPolarHBondContact O-CB 3.38Å; E217-L221 WeakPolarHBondContact O-CG 3.21Å; E217-L221 PolarHBondContact O-N 2.54Å; V218-L221 PolarHBondContact O-N 3.33Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.41Å; L221-S224 VanDerWaalsContact O-CB 3.23Å; L221-S224 WeakPolarHBondContact O-CB 3.5Å; L221-S224 PolarHBondContact O-N 3.22Å; L221-S224 PolarHBondContact O-OG 3.3Å; L221-C227 WeakPolarHBondContact O-CB 3.19Å; L221-C227 PolarHBondContact O-SG 2.86Å; L221-P243 HydrophobicContact CD2-CB 3.67Å; L221-T246 HydrophobicContact CD1-CG2 4.01Å; L221-L247 HydrophobicContact CB-CB 4.15Å; L221-L247 HydrophobicContact CB-CD1 3.77Å; L221-L247 HydrophobicContact CD1-CB 4.36Å |
| 222 | E | 90.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -35.9 | 179.6 | -172.9 | 164.5 | 157.9 | 0 | 0 | 112.7 | M116 R117 V218 Y220 S224 Q228 L247 I487 | M116-E222 HydrophobicContact CE-CG 3.49Å; M116-E222 VanDerWaalsContact CE-CG 3.49Å; M116-E222 HydrophobicContact SD-CG 4.23Å; R117-E222 IonicContact CZ-OE1 2.74Å; R117-E222 IonicContact NE-OE1 2.82Å; R117-E222 IonicContact NH2-OE1 2.78Å; R117-E222 PolarHBondContact NH2-OE1 3.3Å; V218-E222 WeakPolarHBondContact O-CB 3.04Å; V218-E222 PolarHBondContact O-N 3.14Å; Y220-E222 VanDerWaalsContact C-N 3.27Å; Y220-E222 PolarHBondContact O-N 3Å; E222-S224 VanDerWaalsContact C-N 3.32Å; E222-Q228 PolarHBondContact O-NE2 3.35Å; E222-L247 HydrophobicContact CB-CD1 4.36Å; E222-I487 HydrophobicContact CB-CD1 3.76Å; E222-I487 HydrophobicContact CB-CG1 3.83Å; E222-I487 VanDerWaalsContact CD-CD1 3.49Å; E222-I487 HydrophobicContact CG-CD1 4Å; E222-I487 HydrophobicContact CG-CG1 4.06Å; E222-I487 VanDerWaalsContact OE2-CD1 3.25Å; E222-I487 WeakPolarHBondContact OE2-CD1 3.46Å |
| 223 | A | 88.1 | Confident | 93.2 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 17% | 0.174 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -82.4 | -7.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y220 L221 G486 | Y220-A223 PolarHBondContact O-N 3.3Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.41Å; A223-G486 VanDerWaalsContact CB-C 3.49Å |
| 224 | S | 90.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -65.5 | 148.6 | -175.8 | 75.5 | 0 | 0 | 0 | 0 | 113 | Y220 L221 E222 T226 C227 Q228 | Y220-S224 PolarHBondContact O-N 2.91Å; L221-S224 VanDerWaalsContact O-CB 3.23Å; L221-S224 WeakPolarHBondContact O-CB 3.5Å; L221-S224 PolarHBondContact O-N 3.22Å; L221-S224 PolarHBondContact O-OG 3.3Å; E222-S224 VanDerWaalsContact C-N 3.32Å; S224-T226 PolarHBondContact O-N 3.1Å; S224-T226 VanDerWaalsContact O-N 3.16Å; S224-C227 PolarHBondContact O-N 3.03Å; S224-C227 PolarHBondContact OG-N 3.26Å; S224-C227 PolarHBondContact OG-SG 3.42Å; S224-C227 VanDerWaalsContact OG-SG 3.33Å; S224-Q228 WeakPolarHBondContact O-CG 3.36Å; S224-Q228 PolarHBondContact O-N 3.26Å |
| 225 | K | 90.9 | Very high | 92.9 | Very high | 92 Ų | 92 | 35.5 Ų | 35.5 | 40% | 0.4 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -52.4 | -39.5 | 177.4 | -69.5 | 170.9 | 178.4 | 151.3 | 0 | 112.2 | F56 F61 E62 Q228 L229 | F56-K225 HydrophobicContact CZ-CB 4.27Å; F61-K225 HydrophobicContact CB-CG 4.21Å; F61-K225 HydrophobicContact CD2-CG 3.9Å; F61-K225 HydrophobicContact CG-CG 4.38Å; E62-K225 IonicContact OE1-NZ 3.4Å; E62-K225 PolarHBondContact OE1-NZ 2.75Å; K225-Q228 PolarHBondContact O-N 2.86Å; K225-L229 WeakPolarHBondContact O-CG 3.3Å; K225-L229 PolarHBondContact O-N 3.33Å |
| 226 | T | 92.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 179.7 | -45.9 | 0 | 0 | 0 | 0 | 112.3 | S224 L229 Y230 M237 H244 | S224-T226 PolarHBondContact O-N 3.1Å; S224-T226 VanDerWaalsContact O-N 3.16Å; T226-L229 WeakPolarHBondContact O-CB 3.47Å; T226-L229 PolarHBondContact O-N 2.73Å; T226-Y230 PolarHBondContact O-N 3.01Å; T226-M237 HydrophobicContact CG2-CE 3.45Å; T226-M237 VanDerWaalsContact CG2-CE 3.45Å; T226-H244 VanDerWaalsContact CG2-ND1 3.28Å; T226-H244 WeakPolarHBondContact CG2-ND1 3.15Å |
| 227 | C | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -36.8 | 174.2 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | M116 L221 S224 L229 Y230 N231 H244 | M116-C227 HydrophobicContact SD-CB 4Å; L221-C227 WeakPolarHBondContact O-CB 3.19Å; L221-C227 PolarHBondContact O-SG 2.86Å; S224-C227 PolarHBondContact O-N 3.03Å; S224-C227 PolarHBondContact OG-N 3.26Å; S224-C227 PolarHBondContact OG-SG 3.42Å; S224-C227 VanDerWaalsContact OG-SG 3.33Å; C227-L229 VanDerWaalsContact C-N 3.35Å; C227-Y230 WeakPolarHBondContact O-CB 3.23Å; C227-Y230 PolarHBondContact O-N 3.14Å; C227-Y230 VanDerWaalsContact O-N 3.15Å; C227-N231 PolarHBondContact O-N 3.33Å; C227-H244 VanDerWaalsContact SG-CA 3.56Å |
| 228 | Q | 91.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | 173.3 | -60.3 | -55.5 | -42.6 | 0 | 0 | 111.7 | F56 F61 E222 S224 K225 Y230 N231 I232 | F56-Q228 HydrophobicContact CE2-CB 3.8Å; F61-Q228 HydrophobicContact CD1-CB 4.44Å; F61-Q228 HydrophobicContact CD1-CG 3.71Å; F61-Q228 HydrophobicContact CE1-CB 3.99Å; F61-Q228 HydrophobicContact CE1-CG 3.61Å; F61-Q228 HydrophobicContact CG-CG 4.38Å; F61-Q228 HydrophobicContact CZ-CB 4.08Å; F61-Q228 HydrophobicContact CZ-CG 4.2Å; E222-Q228 PolarHBondContact O-NE2 3.35Å; S224-Q228 WeakPolarHBondContact O-CG 3.36Å; S224-Q228 PolarHBondContact O-N 3.26Å; K225-Q228 PolarHBondContact O-N 2.86Å; Q228-Y230 VanDerWaalsContact C-N 3.31Å; Q228-Y230 PolarHBondContact O-N 3.16Å; Q228-N231 WeakPolarHBondContact O-CB 3.48Å; Q228-N231 PolarHBondContact O-N 3.02Å; Q228-I232 PolarHBondContact O-N 3.21Å |
| 229 | L | 93.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -34.2 | 170.4 | -75 | 171 | 0 | 0 | 0 | 112.8 | F56 K225 T226 C227 N231 I232 F233 M237 | F56-L229 HydrophobicContact CD1-CD2 4.49Å; F56-L229 HydrophobicContact CD2-CD2 4.47Å; F56-L229 HydrophobicContact CE1-CD2 4.05Å; F56-L229 HydrophobicContact CE1-CG 4.28Å; F56-L229 HydrophobicContact CE2-CD2 3.99Å; F56-L229 HydrophobicContact CE2-CG 3.93Å; F56-L229 HydrophobicContact CZ-CD1 4.25Å; F56-L229 HydrophobicContact CZ-CD2 3.78Å; F56-L229 HydrophobicContact CZ-CG 3.62Å; K225-L229 WeakPolarHBondContact O-CG 3.3Å; K225-L229 PolarHBondContact O-N 3.33Å; T226-L229 WeakPolarHBondContact O-CB 3.47Å; T226-L229 PolarHBondContact O-N 2.73Å; C227-L229 VanDerWaalsContact C-N 3.35Å; L229-N231 VanDerWaalsContact C-N 3.28Å; L229-N231 PolarHBondContact O-N 3.39Å; L229-I232 PolarHBondContact O-N 3.33Å; L229-I232 VanDerWaalsContact O-N 3.13Å; L229-F233 HydrophobicContact CD2-CD2 4.46Å; L229-F233 PolarHBondContact O-N 2.99Å; L229-M237 HydrophobicContact CB-CE 4.04Å; L229-M237 HydrophobicContact CB-SD 4.3Å |
| 230 | Y | 95.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 173.1 | -174.7 | -81.9 | 0 | 0 | 0 | 111.8 | P115 M116 R119 T226 C227 Q228 I232 P234 M237 K238 H244 F248 | P115-Y230 HydrophobicContact CB-CE1 4.33Å; M116-Y230 HydrophobicContact CB-CD1 3.86Å; M116-Y230 HydrophobicContact CB-CE1 4.25Å; R119-Y230 WeakPolarHBondContact CD-OH 3.25Å; R119-Y230 PolarHBondContact NH1-OH 3.04Å; T226-Y230 PolarHBondContact O-N 3.01Å; C227-Y230 WeakPolarHBondContact O-CB 3.23Å; C227-Y230 PolarHBondContact O-N 3.14Å; C227-Y230 VanDerWaalsContact O-N 3.15Å; Q228-Y230 VanDerWaalsContact C-N 3.31Å; Q228-Y230 PolarHBondContact O-N 3.16Å; Y230-I232 VanDerWaalsContact C-N 3.27Å; Y230-I232 PolarHBondContact O-N 3.03Å; Y230-P234 HydrophobicContact CD1-CB 4.46Å; Y230-P234 HydrophobicContact CE1-CB 4.08Å; Y230-P234 VanDerWaalsContact O-CA 3.27Å; Y230-P234 WeakPolarHBondContact O-CA 3.36Å; Y230-P234 WeakPolarHBondContact O-CB 3.19Å; Y230-P234 VanDerWaalsContact O-CD 3.25Å; Y230-P234 WeakPolarHBondContact O-CD 3.47Å; Y230-P234 VanDerWaalsContact O-N 3.09Å; Y230-M237 HydrophobicContact CD2-CB 3.63Å; Y230-M237 HydrophobicContact CE2-CB 4.41Å; Y230-M237 HydrophobicContact CG-CB 4.29Å; Y230-K238 HydrophobicContact CE2-CB 4.4Å; Y230-H244 AromaticContact CD2-CD2 3.62Å; Y230-F248 AromaticContact CD1-CZ 3.98Å; Y230-F248 HydrophobicContact CD1-CZ 3.98Å; Y230-F248 AromaticContact CD2-CE2 4Å; Y230-F248 HydrophobicContact CD2-CE2 4Å; Y230-F248 HydrophobicContact CD2-CZ 4.27Å; Y230-F248 HydrophobicContact CE1-CE2 4.25Å; Y230-F248 AromaticContact CE1-CZ 3.65Å; Y230-F248 HydrophobicContact CE1-CZ 3.65Å; Y230-F248 AromaticContact CE2-CE2 3.68Å; Y230-F248 HydrophobicContact CE2-CE2 3.68Å; Y230-F248 AromaticContact CE2-CZ 3.96Å; Y230-F248 HydrophobicContact CE2-CZ 3.96Å; Y230-F248 HydrophobicContact CG-CE2 4.41Å; Y230-F248 HydrophobicContact CG-CZ 4.28Å; Y230-F248 AromaticContact CZ-CE2 3.81Å; Y230-F248 AromaticContact CZ-CZ 3.63Å |
| 231 | N | 93.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67 | -28.3 | 175.2 | -71.9 | -38 | 0 | 0 | 0 | 113.1 | I86 T114 M116 C227 Q228 L229 | I86-N231 HydrophobicContact CD1-CB 4.15Å; T114-N231 WeakPolarHBondContact CB-OD1 3.28Å; M116-N231 WeakPolarHBondContact CB-OD1 3.46Å; M116-N231 PolarHBondContact N-OD1 3.29Å; C227-N231 PolarHBondContact O-N 3.33Å; Q228-N231 WeakPolarHBondContact O-CB 3.48Å; Q228-N231 PolarHBondContact O-N 3.02Å; L229-N231 VanDerWaalsContact C-N 3.28Å; L229-N231 PolarHBondContact O-N 3.39Å |
| 232 | I | 93.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -83.2 | -45.1 | 178.3 | -60.9 | 176.1 | 0 | 0 | 0 | 111.2 | F56 Q228 L229 Y230 P234 | F56-I232 HydrophobicContact CB-CD1 4.07Å; F56-I232 HydrophobicContact CD2-CD1 3.52Å; F56-I232 HydrophobicContact CE2-CD1 4.29Å; F56-I232 HydrophobicContact CG-CD1 4.05Å; Q228-I232 PolarHBondContact O-N 3.21Å; L229-I232 PolarHBondContact O-N 3.33Å; L229-I232 VanDerWaalsContact O-N 3.13Å; Y230-I232 VanDerWaalsContact C-N 3.27Å; Y230-I232 PolarHBondContact O-N 3.03Å; I232-P234 VanDerWaalsContact C-CD 3.47Å; I232-P234 WeakPolarHBondContact O-CD 3.21Å |
| 233 | F | 93.7 | Very high | 93.1 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | trans | -127.7 | 59.9 | -173.8 | -54.5 | -64.5 | 0 | 0 | 0 | 112.8 | F52 V53 L229 W235 L236 M237 | F52-F233 HydrophobicContact CB-CE1 4.21Å; F52-F233 HydrophobicContact CB-CZ 4.03Å; V53-F233 HydrophobicContact CG1-CE2 3.87Å; V53-F233 HydrophobicContact CG1-CZ 3.83Å; L229-F233 HydrophobicContact CD2-CD2 4.46Å; L229-F233 PolarHBondContact O-N 2.99Å; F233-W235 PolarHBondContact O-N 2.93Å; F233-L236 HydrophobicContact CB-CB 4.3Å; F233-L236 PolarHBondContact O-N 3.45Å; F233-L236 VanDerWaalsContact O-N 3.15Å; F233-M237 HydrophobicContact CB-CG 4.3Å; F233-M237 WeakPolarHBondContact O-CB 3.42Å; F233-M237 VanDerWaalsContact O-CG 3.29Å; F233-M237 WeakPolarHBondContact O-CG 3.38Å; F233-M237 PolarHBondContact O-N 3.39Å | ||
| 234 | P | 93.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -33.7 | -175.5 | 24.6 | -34.3 | 0 | 0 | 0 | 112.5 | P115 Y230 I232 L236 K238 | P115-P234 HydrophobicContact CB-CB 3.85Å; P115-P234 HydrophobicContact CB-CG 3.86Å; P115-P234 HydrophobicContact CG-CG 4.04Å; Y230-P234 HydrophobicContact CD1-CB 4.46Å; Y230-P234 HydrophobicContact CE1-CB 4.08Å; Y230-P234 VanDerWaalsContact O-CA 3.27Å; Y230-P234 WeakPolarHBondContact O-CA 3.36Å; Y230-P234 WeakPolarHBondContact O-CB 3.19Å; Y230-P234 VanDerWaalsContact O-CD 3.25Å; Y230-P234 WeakPolarHBondContact O-CD 3.47Å; Y230-P234 VanDerWaalsContact O-N 3.09Å; I232-P234 VanDerWaalsContact C-CD 3.47Å; I232-P234 WeakPolarHBondContact O-CD 3.21Å; P234-L236 VanDerWaalsContact C-N 3.26Å; P234-L236 PolarHBondContact O-N 3.21Å; P234-K238 WeakPolarHBondContact O-CB 3.23Å; P234-K238 WeakPolarHBondContact O-CG 3.38Å; P234-K238 PolarHBondContact O-N 3.15Å; P234-K238 VanDerWaalsContact O-N 3.12Å |
| 235 | W | 93 | Very high | 93.6 | Very high | 165 Ų | 165 | 56.5 Ų | 56.5 | 63% | 0.625 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.1 | -28.9 | -179.8 | 65.5 | -95.1 | 0 | 0 | 0 | 113.5 | F233 K238 F239 | F233-W235 PolarHBondContact O-N 2.93Å; W235-K238 VanDerWaalsContact O-CE 3.28Å; W235-K238 WeakPolarHBondContact O-CE 3.44Å; W235-F239 WeakPolarHBondContact O-CD2 3.43Å; W235-F239 VanDerWaalsContact O-CE2 3.32Å; W235-F239 WeakPolarHBondContact O-CE2 3.28Å |
| 236 | L | 93.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 55.1 Ų | 55.1 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -93.2 | -51.2 | 178 | 178.8 | 62.1 | 0 | 0 | 0 | 110.3 | F233 P234 K238 F239 L240 | F233-L236 HydrophobicContact CB-CB 4.3Å; F233-L236 PolarHBondContact O-N 3.45Å; F233-L236 VanDerWaalsContact O-N 3.15Å; P234-L236 VanDerWaalsContact C-N 3.26Å; P234-L236 PolarHBondContact O-N 3.21Å; L236-K238 PolarHBondContact O-N 2.75Å; L236-K238 VanDerWaalsContact O-N 3.16Å; L236-F239 PolarHBondContact O-N 3.28Å; L236-F239 VanDerWaalsContact O-N 3.08Å; L236-L240 HydrophobicContact CG-CD1 4.26Å |
| 237 | M | 94.6 | Very high | 94 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -25.5 | -173.2 | -68.5 | -66 | -68 | 0 | 0 | 112.8 | T226 L229 Y230 F233 F239 L240 H244 | T226-M237 HydrophobicContact CG2-CE 3.45Å; T226-M237 VanDerWaalsContact CG2-CE 3.45Å; L229-M237 HydrophobicContact CB-CE 4.04Å; L229-M237 HydrophobicContact CB-SD 4.3Å; Y230-M237 HydrophobicContact CD2-CB 3.63Å; Y230-M237 HydrophobicContact CE2-CB 4.41Å; Y230-M237 HydrophobicContact CG-CB 4.29Å; F233-M237 HydrophobicContact CB-CG 4.3Å; F233-M237 WeakPolarHBondContact O-CB 3.42Å; F233-M237 VanDerWaalsContact O-CG 3.29Å; F233-M237 WeakPolarHBondContact O-CG 3.38Å; F233-M237 PolarHBondContact O-N 3.39Å; M237-F239 PolarHBondContact O-N 3.3Å; M237-L240 PolarHBondContact O-N 3.34Å; M237-L240 HydrophobicContact SD-CD1 3.87Å; M237-H244 PolarHBondContact O-NE2 2.8Å |
| 238 | K | 92.7 | Very high | 94.3 | Very high | 104 Ų | 104 | 53.8 Ų | 53.8 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.1 | 175 | 69.8 | -174.6 | -172.8 | 177.7 | 0 | 114 | Y230 P234 W235 L236 Q245 | Y230-K238 HydrophobicContact CE2-CB 4.4Å; P234-K238 WeakPolarHBondContact O-CB 3.23Å; P234-K238 WeakPolarHBondContact O-CG 3.38Å; P234-K238 PolarHBondContact O-N 3.15Å; P234-K238 VanDerWaalsContact O-N 3.12Å; W235-K238 VanDerWaalsContact O-CE 3.28Å; W235-K238 WeakPolarHBondContact O-CE 3.44Å; L236-K238 PolarHBondContact O-N 2.75Å; L236-K238 VanDerWaalsContact O-N 3.16Å; K238-Q245 PolarHBondContact O-NE2 3.3Å |
| 239 | F | 93.8 | Very high | 94.5 | Very high | 156 Ų | 156 | 54.7 Ų | 54.7 | 68% | 0.684 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -13.1 | 179.7 | -58.7 | -67.8 | 0 | 0 | 0 | 113.5 | W235 L236 M237 | W235-F239 WeakPolarHBondContact O-CD2 3.43Å; W235-F239 VanDerWaalsContact O-CE2 3.32Å; W235-F239 WeakPolarHBondContact O-CE2 3.28Å; L236-F239 PolarHBondContact O-N 3.28Å; L236-F239 VanDerWaalsContact O-N 3.08Å; M237-F239 PolarHBondContact O-N 3.3Å |
| 240 | L | 94.9 | Very high | 94.7 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 40% | 0.398 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -89.2 | 140.3 | -178.8 | -61.3 | 178.9 | 0 | 0 | 0 | 110.6 | L236 M237 H244 Q245 | L236-L240 HydrophobicContact CG-CD1 4.26Å; M237-L240 PolarHBondContact O-N 3.34Å; M237-L240 HydrophobicContact SD-CD1 3.87Å; L240-H244 PolarHBondContact O-CE1 3.12Å; L240-H244 VanDerWaalsContact O-CE1 3.31Å; L240-H244 PolarHBondContact O-NE2 3.48Å; L240-H244 VanDerWaalsContact O-NE2 3.11Å; L240-Q245 PolarHBondContact O-NE2 2.87Å; L240-Q245 VanDerWaalsContact O-NE2 3.16Å |
| 241 | P | 94.9 | Very high | 94.8 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 77% | 0.773 | 27% | 0.273 | S | S | * | . | trans | -70 | 154 | 167.6 | 31.6 | -34.2 | 0 | 0 | 0 | 110 | ||||
| 242 | G | 94.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 156.4 | -179.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H244 Q245 T246 | G242-H244 PolarHBondContact O-N 3.09Å; G242-H244 VanDerWaalsContact O-N 3.09Å; G242-Q245 PolarHBondContact O-N 3.17Å; G242-T246 PolarHBondContact O-N 3.42Å |
| 243 | P | 94.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.9 | -30.4 | -178.7 | -29 | 34.7 | 0 | 0 | 0 | 114.8 | L221 Q245 T246 L247 | L221-P243 HydrophobicContact CD2-CB 3.67Å; P243-Q245 VanDerWaalsContact C-N 3.33Å; P243-Q245 PolarHBondContact O-N 3.32Å; P243-T246 WeakPolarHBondContact O-CB 3.39Å; P243-T246 PolarHBondContact O-N 2.74Å; P243-L247 PolarHBondContact O-N 3.37Å |
| 244 | H | 94.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -32.1 | 175.7 | 62.2 | -69.2 | 0 | 0 | 0 | 113 | T226 C227 Y230 M237 L240 G242 L247 F248 | T226-H244 VanDerWaalsContact CG2-ND1 3.28Å; T226-H244 WeakPolarHBondContact CG2-ND1 3.15Å; C227-H244 VanDerWaalsContact SG-CA 3.56Å; Y230-H244 AromaticContact CD2-CD2 3.62Å; M237-H244 PolarHBondContact O-NE2 2.8Å; L240-H244 PolarHBondContact O-CE1 3.12Å; L240-H244 VanDerWaalsContact O-CE1 3.31Å; L240-H244 PolarHBondContact O-NE2 3.48Å; L240-H244 VanDerWaalsContact O-NE2 3.11Å; G242-H244 PolarHBondContact O-N 3.09Å; G242-H244 VanDerWaalsContact O-N 3.09Å; H244-L247 WeakPolarHBondContact O-CB 3.33Å; H244-L247 PolarHBondContact O-N 3.37Å; H244-F248 HydrophobicContact CB-CE2 4.42Å; H244-F248 WeakPolarHBondContact O-CD2 3.49Å; H244-F248 WeakPolarHBondContact O-CE2 3.21Å; H244-F248 WeakPolarHBondContact O-CG 3.43Å; H244-F248 PolarHBondContact O-N 3.45Å |
| 245 | Q | 95.2 | Very high | 95.5 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.6 | -38 | 174.4 | -57.4 | -67 | 3.5 | 0 | 0 | 111.2 | R119 K238 L240 G242 P243 L247 F248 S249 | R119-Q245 VanDerWaalsContact NH2-OE1 3.11Å; K238-Q245 PolarHBondContact O-NE2 3.3Å; L240-Q245 PolarHBondContact O-NE2 2.87Å; L240-Q245 VanDerWaalsContact O-NE2 3.16Å; G242-Q245 PolarHBondContact O-N 3.17Å; P243-Q245 VanDerWaalsContact C-N 3.33Å; P243-Q245 PolarHBondContact O-N 3.32Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 2.91Å; Q245-F248 PolarHBondContact O-N 3.22Å; Q245-S249 PolarHBondContact O-N 2.92Å |
| 246 | T | 96.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 171.5 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | L221 G242 P243 F248 S249 N250 | L221-T246 HydrophobicContact CD1-CG2 4.01Å; G242-T246 PolarHBondContact O-N 3.42Å; P243-T246 WeakPolarHBondContact O-CB 3.39Å; P243-T246 PolarHBondContact O-N 2.74Å; T246-F248 PolarHBondContact O-N 3.46Å; T246-S249 PolarHBondContact O-N 2.97Å; T246-N250 WeakPolarHBondContact O-CB 3.42Å; T246-N250 PolarHBondContact O-N 3.18Å; T246-N250 PolarHBondContact O-OD1 2.79Å |
| 247 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.2 | -50.8 | 174.3 | 179.3 | 75.8 | 0 | 0 | 0 | 111.4 | M116 V218 L221 E222 P243 H244 Q245 N250 W251 | M116-L247 HydrophobicContact CG-CD2 3.99Å; M116-L247 HydrophobicContact SD-CD2 3.51Å; M116-L247 VanDerWaalsContact SD-CD2 3.51Å; V218-L247 HydrophobicContact CB-CD1 3.84Å; V218-L247 HydrophobicContact CG1-CD1 4.06Å; L221-L247 HydrophobicContact CB-CB 4.15Å; L221-L247 HydrophobicContact CB-CD1 3.77Å; L221-L247 HydrophobicContact CD1-CB 4.36Å; E222-L247 HydrophobicContact CB-CD1 4.36Å; P243-L247 PolarHBondContact O-N 3.37Å; H244-L247 WeakPolarHBondContact O-CB 3.33Å; H244-L247 PolarHBondContact O-N 3.37Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 2.91Å; L247-N250 PolarHBondContact O-N 3.24Å; L247-W251 VanDerWaalsContact O-CD1 3.23Å; L247-W251 PolarHBondContact O-N 3.48Å |
| 248 | F | 96.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178.7 | -63.1 | -54.6 | 0 | 0 | 0 | 112.1 | M116 R119 T120 Y230 H244 Q245 T246 N250 W251 E252 | M116-F248 HydrophobicContact CB-CZ 4.47Å; M116-F248 HydrophobicContact CG-CE1 3.97Å; M116-F248 HydrophobicContact CG-CZ 4.04Å; R119-F248 HydrophobicContact CB-CE1 4.03Å; R119-F248 HydrophobicContact CB-CZ 4.48Å; R119-F248 HydrophobicContact CG-CD1 4.04Å; R119-F248 HydrophobicContact CG-CE1 3.88Å; R119-F248 HydrophobicContact CG-CZ 4.36Å; T120-F248 WeakPolarHBondContact OG1-CD1 3.45Å; T120-F248 WeakPolarHBondContact OG1-CE1 3.21Å; Y230-F248 AromaticContact CD1-CZ 3.98Å; Y230-F248 HydrophobicContact CD1-CZ 3.98Å; Y230-F248 AromaticContact CD2-CE2 4Å; Y230-F248 HydrophobicContact CD2-CE2 4Å; Y230-F248 HydrophobicContact CD2-CZ 4.27Å; Y230-F248 HydrophobicContact CE1-CE2 4.25Å; Y230-F248 AromaticContact CE1-CZ 3.65Å; Y230-F248 HydrophobicContact CE1-CZ 3.65Å; Y230-F248 AromaticContact CE2-CE2 3.68Å; Y230-F248 HydrophobicContact CE2-CE2 3.68Å; Y230-F248 AromaticContact CE2-CZ 3.96Å; Y230-F248 HydrophobicContact CE2-CZ 3.96Å; Y230-F248 HydrophobicContact CG-CE2 4.41Å; Y230-F248 HydrophobicContact CG-CZ 4.28Å; Y230-F248 AromaticContact CZ-CE2 3.81Å; Y230-F248 AromaticContact CZ-CZ 3.63Å; H244-F248 HydrophobicContact CB-CE2 4.42Å; H244-F248 WeakPolarHBondContact O-CD2 3.49Å; H244-F248 WeakPolarHBondContact O-CE2 3.21Å; H244-F248 WeakPolarHBondContact O-CG 3.43Å; H244-F248 PolarHBondContact O-N 3.45Å; Q245-F248 PolarHBondContact O-N 3.22Å; T246-F248 PolarHBondContact O-N 3.46Å; F248-N250 PolarHBondContact O-N 3.18Å; F248-W251 PolarHBondContact O-N 3.41Å; F248-E252 WeakPolarHBondContact O-CG 3.02Å; F248-E252 PolarHBondContact O-N 3.21Å |
| 249 | S | 97.1 | Very high | 96.2 | Very high | 58 Ų | 58 | 49 Ų | 49 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.5 | -178 | 0 | 0 | 0 | 0 | 112.2 | Q245 T246 E252 K253 | Q245-S249 PolarHBondContact O-N 2.92Å; T246-S249 PolarHBondContact O-N 2.97Å; S249-E252 PolarHBondContact O-N 3.5Å; S249-K253 WeakPolarHBondContact O-CG 3.48Å; S249-K253 PolarHBondContact O-N 2.75Å |
| 250 | N | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.7 | -72.9 | 2.5 | 0 | 0 | 0 | 111 | L214 E217 V218 T246 L247 F248 E252 K253 L254 | L214-N250 HydrophobicContact CD2-CB 4.05Å; L214-N250 VanDerWaalsContact CD2-CG 3.49Å; L214-N250 WeakPolarHBondContact CD2-OD1 3.45Å; E217-N250 PolarHBondContact OE2-ND2 3.21Å; V218-N250 HydrophobicContact CG1-CB 3.48Å; V218-N250 VanDerWaalsContact CG1-CB 3.48Å; T246-N250 WeakPolarHBondContact O-CB 3.42Å; T246-N250 PolarHBondContact O-N 3.18Å; T246-N250 PolarHBondContact O-OD1 2.79Å; L247-N250 PolarHBondContact O-N 3.24Å; F248-N250 PolarHBondContact O-N 3.18Å; N250-E252 VanDerWaalsContact C-N 3.34Å; N250-E252 PolarHBondContact O-N 2.91Å; N250-K253 PolarHBondContact O-N 3.48Å; N250-L254 WeakPolarHBondContact O-CG 3.35Å; N250-L254 PolarHBondContact O-N 3.5Å |
| 251 | W | 96.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 173 | -81.1 | 121.9 | 0 | 0 | 0 | 113.1 | T120 F121 V218 L247 F248 L254 K255 L306 F310 | T120-W251 HydrophobicContact CG2-CB 3.55Å; T120-W251 HydrophobicContact CG2-CD2 3.98Å; T120-W251 HydrophobicContact CG2-CG 3.42Å; T120-W251 VanDerWaalsContact CG2-CG 3.42Å; F121-W251 HydrophobicContact CE1-CE3 4.15Å; F121-W251 HydrophobicContact CE1-CZ3 4.23Å; F121-W251 HydrophobicContact CE2-CD2 4.33Å; F121-W251 HydrophobicContact CE2-CZ2 4.21Å; F121-W251 AromaticContact CZ-CD2 3.69Å; F121-W251 HydrophobicContact CZ-CD2 3.69Å; F121-W251 AromaticContact CZ-CE2 3.77Å; F121-W251 AromaticContact CZ-CE3 3.61Å; F121-W251 HydrophobicContact CZ-CE3 3.61Å; F121-W251 HydrophobicContact CZ-CG 4.47Å; F121-W251 AromaticContact CZ-CH2 3.75Å; F121-W251 HydrophobicContact CZ-CH2 3.75Å; F121-W251 AromaticContact CZ-CZ2 3.81Å; F121-W251 HydrophobicContact CZ-CZ2 3.81Å; F121-W251 AromaticContact CZ-CZ3 3.65Å; F121-W251 HydrophobicContact CZ-CZ3 3.65Å; V218-W251 HydrophobicContact CB-CZ2 4.09Å; V218-W251 HydrophobicContact CG1-CD2 4.31Å; V218-W251 HydrophobicContact CG1-CG 4.36Å; V218-W251 HydrophobicContact CG2-CH2 4.06Å; V218-W251 HydrophobicContact CG2-CZ2 3.81Å; L247-W251 VanDerWaalsContact O-CD1 3.23Å; L247-W251 PolarHBondContact O-N 3.48Å; F248-W251 PolarHBondContact O-N 3.41Å; W251-L254 HydrophobicContact CD2-CD1 4.32Å; W251-L254 HydrophobicContact CE3-CB 4.39Å; W251-L254 HydrophobicContact CE3-CD1 3.59Å; W251-L254 HydrophobicContact CZ3-CD1 3.72Å; W251-L254 PolarHBondContact O-N 2.97Å; W251-K255 WeakPolarHBondContact O-CG 3.43Å; W251-K255 PolarHBondContact O-N 3.18Å; W251-L306 HydrophobicContact CE3-CD2 3.78Å; W251-L306 HydrophobicContact CE3-CG 4.43Å; W251-L306 HydrophobicContact CZ3-CD1 4.17Å; W251-L306 HydrophobicContact CZ3-CD2 3.77Å; W251-L306 HydrophobicContact CZ3-CG 3.91Å; W251-F310 AromaticContact CH2-CD2 4Å; W251-F310 HydrophobicContact CH2-CD2 4Å; W251-F310 HydrophobicContact CH2-CE2 4.39Å; W251-F310 HydrophobicContact CH2-CG 4.32Å |
| 252 | E | 97.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 38.7 Ų | 38.7 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.5 | -71.4 | -58.7 | 150.1 | 0 | 0 | 111.9 | F248 S249 N250 L254 K255 L256 | F248-E252 WeakPolarHBondContact O-CG 3.02Å; F248-E252 PolarHBondContact O-N 3.21Å; S249-E252 PolarHBondContact O-N 3.5Å; N250-E252 VanDerWaalsContact C-N 3.34Å; N250-E252 PolarHBondContact O-N 2.91Å; E252-L254 PolarHBondContact O-N 3.24Å; E252-K255 PolarHBondContact O-N 3.01Å; E252-L256 WeakPolarHBondContact O-CB 3.29Å; E252-L256 VanDerWaalsContact O-CG 3.27Å; E252-L256 WeakPolarHBondContact O-CG 3.44Å; E252-L256 PolarHBondContact O-N 2.85Å |
| 253 | K | 97.9 | Very high | 96.6 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 41% | 0.413 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 173.8 | -68.9 | 173.1 | -175.5 | 174.1 | 0 | 112 | L214 S249 N250 L256 F257 | L214-K253 HydrophobicContact CD1-CB 3.91Å; L214-K253 HydrophobicContact CD1-CD 4Å; L214-K253 HydrophobicContact CD2-CD 4Å; S249-K253 WeakPolarHBondContact O-CG 3.48Å; S249-K253 PolarHBondContact O-N 2.75Å; N250-K253 PolarHBondContact O-N 3.48Å; K253-L256 PolarHBondContact O-N 3.49Å; K253-F257 PolarHBondContact O-N 3.4Å |
| 254 | L | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.6 | -69.7 | 172.5 | 0 | 0 | 0 | 111.4 | L211 L214 V218 N250 W251 E252 F257 V258 L306 | L211-L254 HydrophobicContact CD1-CD2 3.41Å; L211-L254 VanDerWaalsContact CD1-CD2 3.41Å; L211-L254 HydrophobicContact CG-CD2 4.06Å; L214-L254 HydrophobicContact CB-CD2 4.02Å; L214-L254 HydrophobicContact CB-CG 4.31Å; V218-L254 HydrophobicContact CG1-CD1 4.3Å; V218-L254 HydrophobicContact CG2-CD1 4.15Å; N250-L254 WeakPolarHBondContact O-CG 3.35Å; N250-L254 PolarHBondContact O-N 3.5Å; W251-L254 HydrophobicContact CD2-CD1 4.32Å; W251-L254 HydrophobicContact CE3-CB 4.39Å; W251-L254 HydrophobicContact CE3-CD1 3.59Å; W251-L254 HydrophobicContact CZ3-CD1 3.72Å; W251-L254 PolarHBondContact O-N 2.97Å; E252-L254 PolarHBondContact O-N 3.24Å; L254-F257 PolarHBondContact O-N 3.44Å; L254-V258 PolarHBondContact O-N 3.49Å; L254-V258 VanDerWaalsContact O-N 3.14Å; L254-L306 HydrophobicContact CB-CD1 3.91Å; L254-L306 HydrophobicContact CB-CD2 4.17Å |
| 255 | K | 97.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.5 | -76.1 | -175.2 | 173.8 | -163.9 | 0 | 112.3 | T120 W251 E252 F257 V258 S259 E299 I302 L306 | T120-K255 WeakPolarHBondContact O-CE 3.3Å; T120-K255 PolarHBondContact O-NZ 3.47Å; W251-K255 WeakPolarHBondContact O-CG 3.43Å; W251-K255 PolarHBondContact O-N 3.18Å; E252-K255 PolarHBondContact O-N 3.01Å; K255-F257 VanDerWaalsContact C-N 3.3Å; K255-F257 PolarHBondContact O-N 2.78Å; K255-V258 PolarHBondContact O-N 3.13Å; K255-S259 WeakPolarHBondContact O-CB 3.33Å; K255-S259 PolarHBondContact O-N 3.19Å; K255-S259 PolarHBondContact O-OG 3.01Å; K255-S259 VanDerWaalsContact O-OG 3.05Å; K255-E299 IonicContact NZ-OE1 2.77Å; K255-E299 PolarHBondContact NZ-OE1 3.3Å; K255-I302 HydrophobicContact CB-CG2 4.07Å; K255-I302 HydrophobicContact CG-CG2 3.96Å; K255-L306 HydrophobicContact CG-CD2 3.88Å |
| 256 | L | 97.3 | Very high | 96.7 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 62% | 0.618 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.6 | -40 | 178 | -74.8 | 171.1 | 0 | 0 | 0 | 111.9 | E252 K253 S259 H260 | E252-L256 WeakPolarHBondContact O-CB 3.29Å; E252-L256 VanDerWaalsContact O-CG 3.27Å; E252-L256 WeakPolarHBondContact O-CG 3.44Å; E252-L256 PolarHBondContact O-N 2.85Å; K253-L256 PolarHBondContact O-N 3.49Å; L256-S259 PolarHBondContact O-N 3.27Å; L256-H260 PolarHBondContact O-N 2.74Å |
| 257 | F | 96.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -50.2 | 173.4 | 176.7 | -94.3 | 0 | 0 | 0 | 111.4 | F197 F201 L211 K253 L254 K255 S259 H260 M261 | F197-F257 AromaticContact CE2-CE1 3.93Å; F197-F257 HydrophobicContact CE2-CE1 3.93Å; F197-F257 AromaticContact CZ-CE1 3.96Å; F197-F257 HydrophobicContact CZ-CE1 3.96Å; F201-F257 HydrophobicContact CE1-CZ 4.43Å; F201-F257 HydrophobicContact CZ-CZ 4.04Å; L211-F257 HydrophobicContact CD1-CB 3.9Å; L211-F257 HydrophobicContact CD1-CD1 3.78Å; L211-F257 HydrophobicContact CD1-CD2 4.25Å; L211-F257 HydrophobicContact CD1-CE1 4.41Å; L211-F257 HydrophobicContact CD1-CG 3.7Å; L211-F257 HydrophobicContact CD2-CD1 3.67Å; L211-F257 HydrophobicContact CD2-CE1 3.45Å; L211-F257 VanDerWaalsContact CD2-CE1 3.45Å; L211-F257 HydrophobicContact CD2-CE2 4.32Å; L211-F257 HydrophobicContact CD2-CG 4.21Å; L211-F257 HydrophobicContact CD2-CZ 3.81Å; L211-F257 HydrophobicContact CG-CD1 4.42Å; K253-F257 PolarHBondContact O-N 3.4Å; L254-F257 PolarHBondContact O-N 3.44Å; K255-F257 VanDerWaalsContact C-N 3.3Å; K255-F257 PolarHBondContact O-N 2.78Å; F257-S259 VanDerWaalsContact C-N 3.33Å; F257-S259 PolarHBondContact O-N 3.44Å; F257-H260 WeakPolarHBondContact O-CB 3.48Å; F257-H260 PolarHBondContact O-N 3.49Å; F257-H260 VanDerWaalsContact O-N 3.14Å; F257-M261 HydrophobicContact CD1-CG 4.36Å; F257-M261 HydrophobicContact CE1-CG 3.91Å; F257-M261 HydrophobicContact CZ-CG 4.06Å; F257-M261 HydrophobicContact CZ-SD 4.33Å; F257-M261 WeakPolarHBondContact O-CG 3.43Å; F257-M261 PolarHBondContact O-N 3.21Å |
| 258 | V | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | F197 L254 K255 H260 M261 I262 I302 T305 L306 | F197-V258 HydrophobicContact CZ-CG2 4.38Å; L254-V258 PolarHBondContact O-N 3.49Å; L254-V258 VanDerWaalsContact O-N 3.14Å; K255-V258 PolarHBondContact O-N 3.13Å; V258-H260 VanDerWaalsContact C-N 3.32Å; V258-H260 PolarHBondContact O-N 2.86Å; V258-M261 WeakPolarHBondContact O-CB 3.43Å; V258-M261 PolarHBondContact O-N 3.2Å; V258-I262 HydrophobicContact CG1-CD1 3.85Å; V258-I262 HydrophobicContact CG1-CG1 4.44Å; V258-I262 VanDerWaalsContact O-CG1 3.31Å; V258-I262 WeakPolarHBondContact O-CG1 3.24Å; V258-I262 PolarHBondContact O-N 2.91Å; V258-I302 HydrophobicContact CB-CG2 4.44Å; V258-I302 HydrophobicContact CG1-CB 4.46Å; V258-I302 HydrophobicContact CG1-CG2 4.24Å; V258-T305 HydrophobicContact CG1-CG2 3.76Å; V258-T305 HydrophobicContact CG2-CG2 4.44Å; V258-L306 HydrophobicContact CG2-CB 4.29Å; V258-L306 HydrophobicContact CG2-CD1 4.34Å |
| 259 | S | 97.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | K255 L256 F257 M261 I262 E263 I302 | K255-S259 WeakPolarHBondContact O-CB 3.33Å; K255-S259 PolarHBondContact O-N 3.19Å; K255-S259 PolarHBondContact O-OG 3.01Å; K255-S259 VanDerWaalsContact O-OG 3.05Å; L256-S259 PolarHBondContact O-N 3.27Å; F257-S259 VanDerWaalsContact C-N 3.33Å; F257-S259 PolarHBondContact O-N 3.44Å; S259-M261 VanDerWaalsContact C-N 3.35Å; S259-I262 PolarHBondContact O-N 3.21Å; S259-E263 PolarHBondContact O-N 2.95Å; S259-I302 VanDerWaalsContact OG-CD1 3.27Å; S259-I302 WeakPolarHBondContact OG-CD1 3.39Å |
| 260 | H | 96.2 | Very high | 95.7 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 175.2 | -174.8 | 73.5 | 0 | 0 | 0 | 111.7 | L256 F257 V258 E263 K264 | L256-H260 PolarHBondContact O-N 2.74Å; F257-H260 WeakPolarHBondContact O-CB 3.48Å; F257-H260 PolarHBondContact O-N 3.49Å; F257-H260 VanDerWaalsContact O-N 3.14Å; V258-H260 VanDerWaalsContact C-N 3.32Å; V258-H260 PolarHBondContact O-N 2.86Å; H260-E263 PolarHBondContact O-N 3.36Å; H260-K264 PolarHBondContact O-N 3.18Å |
| 261 | M | 95.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.3 | -68.7 | -53 | -69.1 | 0 | 0 | 111.8 | F197 E199 F201 F257 V258 S259 E263 K264 H265 I278 | F197-M261 HydrophobicContact CB-CE 3.72Å; F197-M261 HydrophobicContact CD1-CB 4.04Å; F197-M261 HydrophobicContact CD1-CE 4.32Å; F197-M261 HydrophobicContact CD1-CG 4.12Å; F197-M261 HydrophobicContact CE1-CB 4.2Å; F197-M261 HydrophobicContact CE1-CG 4.2Å; F197-M261 HydrophobicContact CG-CE 4.02Å; E199-M261 HydrophobicContact CG-CE 4.38Å; E199-M261 WeakPolarHBondContact OE1-CE 3.49Å; F201-M261 HydrophobicContact CZ-CE 4.47Å; F257-M261 HydrophobicContact CD1-CG 4.36Å; F257-M261 HydrophobicContact CE1-CG 3.91Å; F257-M261 HydrophobicContact CZ-CG 4.06Å; F257-M261 HydrophobicContact CZ-SD 4.33Å; F257-M261 WeakPolarHBondContact O-CG 3.43Å; F257-M261 PolarHBondContact O-N 3.21Å; V258-M261 WeakPolarHBondContact O-CB 3.43Å; V258-M261 PolarHBondContact O-N 3.2Å; S259-M261 VanDerWaalsContact C-N 3.35Å; M261-E263 VanDerWaalsContact C-N 3.31Å; M261-E263 PolarHBondContact O-N 3.09Å; M261-K264 WeakPolarHBondContact O-CB 3.29Å; M261-K264 PolarHBondContact O-N 2.9Å; M261-H265 PolarHBondContact O-N 3.18Å; M261-H265 VanDerWaalsContact O-N 3.09Å; M261-H265 PolarHBondContact O-ND1 3.42Å; M261-I278 HydrophobicContact CB-CD1 4.29Å |
| 262 | I | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.3 | -67.1 | 159.7 | 0 | 0 | 0 | 110.9 | V258 S259 K264 H265 R266 I278 L282 L301 I302 | V258-I262 HydrophobicContact CG1-CD1 3.85Å; V258-I262 HydrophobicContact CG1-CG1 4.44Å; V258-I262 VanDerWaalsContact O-CG1 3.31Å; V258-I262 WeakPolarHBondContact O-CG1 3.24Å; V258-I262 PolarHBondContact O-N 2.91Å; S259-I262 PolarHBondContact O-N 3.21Å; I262-K264 VanDerWaalsContact C-N 3.35Å; I262-K264 PolarHBondContact O-N 2.77Å; I262-H265 PolarHBondContact O-N 2.92Å; I262-R266 WeakPolarHBondContact O-CG 3.2Å; I262-R266 PolarHBondContact O-N 3.21Å; I262-I278 HydrophobicContact CG1-CD1 4.01Å; I262-I278 HydrophobicContact CG1-CG1 4.27Å; I262-I278 HydrophobicContact CG1-CG2 4.13Å; I262-L282 HydrophobicContact CG2-CD2 4.47Å; I262-L301 HydrophobicContact CD1-CD2 3.97Å; I262-L301 HydrophobicContact CD1-CG 3.7Å; I262-L301 HydrophobicContact CG1-CD2 4.09Å; I262-L301 HydrophobicContact CG1-CG 4.19Å; I262-L301 HydrophobicContact CG2-CD2 4.04Å; I262-I302 HydrophobicContact CD1-CB 4.48Å; I262-I302 HydrophobicContact CD1-CG1 3.54Å |
| 263 | E | 97 | Very high | 94.4 | Very high | 87 Ų | 87 | 66.6 Ų | 66.6 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 177.7 | -177.1 | 55.5 | -150.6 | 0 | 0 | 112.3 | S259 H260 M261 H265 R266 K267 | S259-E263 PolarHBondContact O-N 2.95Å; H260-E263 PolarHBondContact O-N 3.36Å; M261-E263 VanDerWaalsContact C-N 3.31Å; M261-E263 PolarHBondContact O-N 3.09Å; E263-H265 VanDerWaalsContact C-N 3.33Å; E263-H265 PolarHBondContact O-N 2.85Å; E263-R266 PolarHBondContact O-N 3.05Å; E263-K267 WeakPolarHBondContact O-CG 3.12Å; E263-K267 PolarHBondContact O-N 2.92Å |
| 264 | K | 95.3 | Very high | 94.2 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 171.6 | -178.8 | 179.8 | 167.6 | -173.1 | 0 | 110.8 | E199 H260 M261 I262 R266 K267 | E199-K264 IonicContact OE1-NZ 3.55Å; E199-K264 PolarHBondContact OE1-NZ 3.18Å; E199-K264 IonicContact OE2-NZ 3.81Å; E199-K264 PolarHBondContact OE2-NZ 3.23Å; H260-K264 PolarHBondContact O-N 3.18Å; M261-K264 WeakPolarHBondContact O-CB 3.29Å; M261-K264 PolarHBondContact O-N 2.9Å; I262-K264 VanDerWaalsContact C-N 3.35Å; I262-K264 PolarHBondContact O-N 2.77Å; K264-R266 VanDerWaalsContact C-N 3.33Å; K264-R266 PolarHBondContact O-N 3.17Å; K264-K267 PolarHBondContact O-N 3.12Å |
| 265 | H | 95.9 | Very high | 94 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.028 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -33 | 178.6 | -70.2 | 65.2 | 0 | 0 | 0 | 112.8 | F197 M261 I262 E263 K267 D268 W269 R275 D276 I278 D279 L282 | F197-H265 PolarHBondContact O-CE1 3.34Å; F197-H265 PolarHBondContact O-NE2 3.2Å; M261-H265 PolarHBondContact O-N 3.18Å; M261-H265 VanDerWaalsContact O-N 3.09Å; M261-H265 PolarHBondContact O-ND1 3.42Å; I262-H265 PolarHBondContact O-N 2.92Å; E263-H265 VanDerWaalsContact C-N 3.33Å; E263-H265 PolarHBondContact O-N 2.85Å; H265-K267 VanDerWaalsContact C-N 3.33Å; H265-K267 PolarHBondContact O-N 3.44Å; H265-D268 WeakPolarHBondContact CA-OD1 3.45Å; H265-W269 WeakPolarHBondContact O-CA 3.48Å; H265-W269 VanDerWaalsContact O-CB 3.26Å; H265-W269 WeakPolarHBondContact O-CB 3.42Å; H265-W269 PolarHBondContact O-N 2.9Å; H265-W269 VanDerWaalsContact O-N 3.07Å; H265-R275 PolarHBondContact O-NH2 3.15Å; H265-D276 IonicContact CD2-OD1 3.35Å; H265-D276 PolarHBondContact CD2-OD1 2.89Å; H265-D276 IonicContact CD2-OD2 3.69Å; H265-D276 PolarHBondContact CD2-OD2 3.34Å; H265-D276 VanDerWaalsContact NE2-CG 3.33Å; H265-D276 IonicContact NE2-OD1 3.83Å; H265-D276 PolarHBondContact NE2-OD1 3.44Å; H265-D276 IonicContact NE2-OD2 2.81Å; H265-D276 PolarHBondContact NE2-OD2 3.06Å; H265-I278 HydrophobicContact CB-CG2 3.71Å; H265-D279 IonicContact CD2-OD1 3.65Å; H265-L282 HydrophobicContact CB-CD1 4.26Å |
| 266 | R | 94.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 67.5 Ų | 67.5 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 177.4 | -74.9 | -178.7 | -174.8 | -77.4 | 7.2 | 112.6 | I262 E263 K264 D268 L282 E298 | I262-R266 WeakPolarHBondContact O-CG 3.2Å; I262-R266 PolarHBondContact O-N 3.21Å; E263-R266 PolarHBondContact O-N 3.05Å; K264-R266 VanDerWaalsContact C-N 3.33Å; K264-R266 PolarHBondContact O-N 3.17Å; R266-D268 VanDerWaalsContact C-N 3.32Å; R266-D268 PolarHBondContact O-N 2.81Å; R266-L282 HydrophobicContact CG-CD1 4.17Å; R266-L282 HydrophobicContact CG-CD2 4.44Å; R266-E298 IonicContact CZ-OE1 2.7Å; R266-E298 IonicContact NE-OE1 2.73Å; R266-E298 IonicContact NH2-OE1 2.96Å; R266-E298 PolarHBondContact NH2-OE1 3.21Å |
| 267 | K | 94.6 | Very high | 93.9 | Very high | 162 Ų | 162 | 61.9 Ų | 61.9 | 70% | 0.704 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.8 | -30.9 | -175.7 | -73.6 | 174.4 | -178.6 | 175.6 | 0 | 113.4 | E263 K264 H265 | E263-K267 WeakPolarHBondContact O-CG 3.12Å; E263-K267 PolarHBondContact O-N 2.92Å; K264-K267 PolarHBondContact O-N 3.12Å; H265-K267 VanDerWaalsContact C-N 3.33Å; H265-K267 PolarHBondContact O-N 3.44Å |
| 268 | D | 90.4 | Very high | 93.9 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 19.6 | -179 | 61.6 | 1.5 | 0 | 0 | 0 | 112.4 | H265 R266 N270 R275 | H265-D268 WeakPolarHBondContact CA-OD1 3.45Å; R266-D268 VanDerWaalsContact C-N 3.32Å; R266-D268 PolarHBondContact O-N 2.81Å; D268-N270 PolarHBondContact O-N 3.37Å; D268-R275 IonicContact OD1-CZ 2.73Å; D268-R275 VanDerWaalsContact OD1-CZ 3.31Å; D268-R275 IonicContact OD1-NH1 3.24Å; D268-R275 PolarHBondContact OD1-NH1 3.33Å; D268-R275 IonicContact OD1-NH2 2.85Å; D268-R275 PolarHBondContact OD1-NH2 2.97Å; D268-R275 IonicContact OD2-CZ 2.76Å; D268-R275 IonicContact OD2-NH1 2.72Å; D268-R275 PolarHBondContact OD2-NH1 3.21Å |
| 269 | W | 92 | Very high | 93.9 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -64.5 | 123.9 | -175.2 | -175.3 | 56.3 | 0 | 0 | 0 | 112 | H265 P271 L282 K283 | H265-W269 WeakPolarHBondContact O-CA 3.48Å; H265-W269 VanDerWaalsContact O-CB 3.26Å; H265-W269 WeakPolarHBondContact O-CB 3.42Å; H265-W269 PolarHBondContact O-N 2.9Å; H265-W269 VanDerWaalsContact O-N 3.07Å; W269-P271 HydrophobicContact CD2-CG 4.34Å; W269-P271 HydrophobicContact CE3-CG 4.12Å; W269-P271 HydrophobicContact CH2-CB 4.35Å; W269-P271 HydrophobicContact CH2-CG 3.75Å; W269-P271 HydrophobicContact CZ2-CB 4.24Å; W269-P271 HydrophobicContact CZ2-CG 3.95Å; W269-P271 HydrophobicContact CZ3-CG 3.83Å; W269-L282 HydrophobicContact CZ2-CB 4.41Å; W269-K283 HydrophobicContact CZ2-CB 4.31Å | ||
| 270 | N | 89.8 | Confident | 93.9 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | trans | -118.7 | 110.6 | 174.1 | 178.6 | 3.1 | 0 | 0 | 0 | 110.1 | D268 A272 E273 | D268-N270 PolarHBondContact O-N 3.37Å; N270-A272 PolarHBondContact O-N 3.26Å; N270-A272 VanDerWaalsContact O-N 3.08Å; N270-A272 WeakPolarHBondContact OD1-CB 3.38Å; N270-A272 PolarHBondContact OD1-N 3.18Å; N270-E273 HydrophobicContact CB-CB 4.36Å; N270-E273 CarbonylContact O-C 3.53Å; N270-E273 PolarHBondContact O-N 2.89Å | ||
| 271 | P | 86.3 | Confident | 93.9 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.1 | -179.8 | -24.2 | 32.9 | 0 | 0 | 0 | 115.2 | W269 K283 | W269-P271 HydrophobicContact CD2-CG 4.34Å; W269-P271 HydrophobicContact CE3-CG 4.12Å; W269-P271 HydrophobicContact CH2-CB 4.35Å; W269-P271 HydrophobicContact CH2-CG 3.75Å; W269-P271 HydrophobicContact CZ2-CB 4.24Å; W269-P271 HydrophobicContact CZ2-CG 3.95Å; W269-P271 HydrophobicContact CZ3-CG 3.83Å; P271-K283 WeakPolarHBondContact O-CE 3.24Å; P271-K283 PolarHBondContact O-NZ 2.93Å |
| 272 | A | 88.1 | Confident | 94 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N270 | N270-A272 PolarHBondContact O-N 3.26Å; N270-A272 VanDerWaalsContact O-N 3.08Å; N270-A272 WeakPolarHBondContact OD1-CB 3.38Å; N270-A272 PolarHBondContact OD1-N 3.18Å |
| 273 | E | 89.8 | Confident | 93.9 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | trans | -109.7 | 156.3 | 179.1 | -166.7 | 166.5 | -171.8 | 0 | 0 | 109.6 | N270 | N270-E273 HydrophobicContact CB-CB 4.36Å; N270-E273 CarbonylContact O-C 3.53Å; N270-E273 PolarHBondContact O-N 2.89Å | ||
| 274 | T | 92.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 54 Ų | 54 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | trans | -144.6 | 101 | 177.8 | -52.3 | 0 | 0 | 0 | 0 | 107.3 | F148 D279 A280 | F148-T274 HydrophobicContact CZ-CG2 3.91Å; T274-D279 HydrophobicContact CG2-CB 3.92Å; T274-A280 VanDerWaalsContact CG2-CA 3.45Å; T274-A280 HydrophobicContact CG2-CB 3.6Å; T274-A280 VanDerWaalsContact CG2-N 3.35Å | ||
| 275 | R | 93.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | trans | -76.1 | -38.2 | -170.9 | -63.3 | 172.2 | -68.6 | -177.1 | -3.7 | 112.4 | F148 H265 D268 D279 | F148-R275 WeakPolarHBondContact CE1-O 3.49Å; H265-R275 PolarHBondContact O-NH2 3.15Å; D268-R275 IonicContact OD1-CZ 2.73Å; D268-R275 VanDerWaalsContact OD1-CZ 3.31Å; D268-R275 IonicContact OD1-NH1 3.24Å; D268-R275 PolarHBondContact OD1-NH1 3.33Å; D268-R275 IonicContact OD1-NH2 2.85Å; D268-R275 PolarHBondContact OD1-NH2 2.97Å; D268-R275 IonicContact OD2-CZ 2.76Å; D268-R275 IonicContact OD2-NH1 2.72Å; D268-R275 PolarHBondContact OD2-NH1 3.21Å; R275-D279 WeakPolarHBondContact CB-OD2 3.47Å; R275-D279 WeakPolarHBondContact CG-OD2 3.5Å; R275-D279 IonicContact CZ-OD1 3.6Å; R275-D279 IonicContact CZ-OD2 3.82Å; R275-D279 PolarHBondContact N-OD2 3.01Å; R275-D279 VanDerWaalsContact N-OD2 3.1Å; R275-D279 IonicContact NE-OD1 3.93Å; R275-D279 IonicContact NE-OD2 2.77Å; R275-D279 PolarHBondContact NE-OD2 3.34Å; R275-D279 IonicContact NH2-OD1 2.81Å; R275-D279 PolarHBondContact NH2-OD1 2.99Å; R275-D279 IonicContact NH2-OD2 3.1Å; R275-D279 PolarHBondContact NH2-OD2 2.82Å | ||
| 276 | D | 95.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.011 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -159.2 | -175.8 | -168.8 | 50.4 | 61.2 | 0 | 0 | 0 | 112.1 | F148 I195 H265 I278 D279 A280 | F148-D276 WeakPolarHBondContact CE2-O 3.39Å; F148-D276 WeakPolarHBondContact CZ-O 3.41Å; I195-D276 WeakPolarHBondContact O-CB 3.42Å; H265-D276 IonicContact CD2-OD1 3.35Å; H265-D276 PolarHBondContact CD2-OD1 2.89Å; H265-D276 IonicContact CD2-OD2 3.69Å; H265-D276 PolarHBondContact CD2-OD2 3.34Å; H265-D276 VanDerWaalsContact NE2-CG 3.33Å; H265-D276 IonicContact NE2-OD1 3.83Å; H265-D276 PolarHBondContact NE2-OD1 3.44Å; H265-D276 IonicContact NE2-OD2 2.81Å; H265-D276 PolarHBondContact NE2-OD2 3.06Å; D276-I278 VanDerWaalsContact C-N 3.31Å; D276-I278 PolarHBondContact O-N 3.06Å; D276-I278 WeakPolarHBondContact OD1-CA 3.44Å; D276-I278 WeakPolarHBondContact OD1-CB 3.41Å; D276-I278 PolarHBondContact OD1-N 3.32Å; D276-D279 PolarHBondContact O-N 2.95Å; D276-D279 PolarHBondContact OD1-N 3.36Å; D276-A280 WeakPolarHBondContact O-CB 3.22Å; D276-A280 PolarHBondContact O-N 2.84Å |
| 277 | F | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57 | -39.6 | 178.3 | -177.5 | -101 | 0 | 0 | 0 | 113.3 | F140 T141 A144 I195 T196 A280 Y281 L301 L308 | F140-F277 AromaticContact CD1-CE2 3.99Å; F140-F277 HydrophobicContact CD1-CE2 3.99Å; F140-F277 HydrophobicContact CD1-CZ 4.37Å; F140-F277 HydrophobicContact CE1-CD2 4.24Å; F140-F277 AromaticContact CE1-CE2 3.62Å; F140-F277 HydrophobicContact CE1-CE2 3.62Å; F140-F277 HydrophobicContact CE1-CZ 4.05Å; T141-F277 HydrophobicContact CG2-CE2 3.98Å; A144-F277 HydrophobicContact CB-CD2 3.84Å; A144-F277 HydrophobicContact CB-CE2 4.26Å; I195-F277 PolarHBondContact O-N 2.99Å; T196-F277 HydrophobicContact CG2-CB 4.45Å; F277-A280 PolarHBondContact O-N 3.49Å; F277-Y281 AromaticContact CE1-CD2 3.97Å; F277-Y281 HydrophobicContact CE1-CD2 3.97Å; F277-Y281 AromaticContact CZ-CD2 3.76Å; F277-Y281 HydrophobicContact CZ-CD2 3.76Å; F277-Y281 HydrophobicContact CZ-CE2 4.32Å; F277-Y281 WeakPolarHBondContact O-CB 3.12Å; F277-Y281 PolarHBondContact O-N 3.46Å; F277-L301 HydrophobicContact CE1-CD1 4.33Å; F277-L308 HydrophobicContact CD1-CD1 3.98Å; F277-L308 HydrophobicContact CD2-CD1 3.95Å; F277-L308 HydrophobicContact CE1-CD1 3.89Å; F277-L308 HydrophobicContact CE2-CD1 3.87Å; F277-L308 HydrophobicContact CG-CD1 4.01Å; F277-L308 HydrophobicContact CZ-CD1 3.84Å |
| 278 | I | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -50.3 | -179.2 | -72.9 | 170.2 | 0 | 0 | 0 | 109.4 | T196 F197 M261 I262 H265 D276 A280 Y281 L282 L301 T305 | T196-I278 WeakPolarHBondContact O-CD1 3.4Å; T196-I278 VanDerWaalsContact O-CG1 3.31Å; T196-I278 WeakPolarHBondContact O-CG1 3.4Å; F197-I278 HydrophobicContact CD1-CD1 3.7Å; F197-I278 HydrophobicContact CE1-CD1 4.18Å; M261-I278 HydrophobicContact CB-CD1 4.29Å; I262-I278 HydrophobicContact CG1-CD1 4.01Å; I262-I278 HydrophobicContact CG1-CG1 4.27Å; I262-I278 HydrophobicContact CG1-CG2 4.13Å; H265-I278 HydrophobicContact CB-CG2 3.71Å; D276-I278 VanDerWaalsContact C-N 3.31Å; D276-I278 PolarHBondContact O-N 3.06Å; D276-I278 WeakPolarHBondContact OD1-CA 3.44Å; D276-I278 WeakPolarHBondContact OD1-CB 3.41Å; D276-I278 PolarHBondContact OD1-N 3.32Å; I278-A280 VanDerWaalsContact C-N 3.3Å; I278-A280 PolarHBondContact O-N 2.93Å; I278-Y281 PolarHBondContact O-N 3.16Å; I278-Y281 VanDerWaalsContact O-N 3.09Å; I278-L282 HydrophobicContact CG2-CD1 3.94Å; I278-L282 HydrophobicContact CG2-CG 4.25Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 2.96Å; I278-L301 HydrophobicContact CG1-CD1 4.42Å; I278-T305 HydrophobicContact CD1-CG2 4.34Å; I278-T305 HydrophobicContact CG1-CG2 4.37Å |
| 279 | D | 96.8 | Very high | 93 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -43 | 176.8 | -87.1 | 0.5 | 0 | 0 | 0 | 112.1 | H265 T274 R275 D276 Y281 L282 K283 | H265-D279 IonicContact CD2-OD1 3.65Å; T274-D279 HydrophobicContact CG2-CB 3.92Å; R275-D279 WeakPolarHBondContact CB-OD2 3.47Å; R275-D279 WeakPolarHBondContact CG-OD2 3.5Å; R275-D279 IonicContact CZ-OD1 3.6Å; R275-D279 IonicContact CZ-OD2 3.82Å; R275-D279 PolarHBondContact N-OD2 3.01Å; R275-D279 VanDerWaalsContact N-OD2 3.1Å; R275-D279 IonicContact NE-OD1 3.93Å; R275-D279 IonicContact NE-OD2 2.77Å; R275-D279 PolarHBondContact NE-OD2 3.34Å; R275-D279 IonicContact NH2-OD1 2.81Å; R275-D279 PolarHBondContact NH2-OD1 2.99Å; R275-D279 IonicContact NH2-OD2 3.1Å; R275-D279 PolarHBondContact NH2-OD2 2.82Å; D276-D279 PolarHBondContact O-N 2.95Å; D276-D279 PolarHBondContact OD1-N 3.36Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.11Å; D279-L282 PolarHBondContact O-N 3.28Å; D279-K283 WeakPolarHBondContact O-CB 3.25Å; D279-K283 PolarHBondContact O-N 3.17Å |
| 280 | A | 96.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F140 F148 T274 D276 F277 I278 E284 | F140-A280 HydrophobicContact CZ-CB 3.99Å; F148-A280 HydrophobicContact CE2-CB 4.12Å; F148-A280 HydrophobicContact CZ-CB 4.24Å; T274-A280 VanDerWaalsContact CG2-CA 3.45Å; T274-A280 HydrophobicContact CG2-CB 3.6Å; T274-A280 VanDerWaalsContact CG2-N 3.35Å; D276-A280 WeakPolarHBondContact O-CB 3.22Å; D276-A280 PolarHBondContact O-N 2.84Å; F277-A280 PolarHBondContact O-N 3.49Å; I278-A280 VanDerWaalsContact C-N 3.3Å; I278-A280 PolarHBondContact O-N 2.93Å; A280-E284 PolarHBondContact O-N 3.06Å |
| 281 | Y | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.4 | -41.5 | -179.6 | -156.6 | -68.6 | 0 | 0 | 0 | 111.3 | Q137 F140 F277 I278 D279 K283 E284 M285 S295 F296 L301 | Q137-Y281 VanDerWaalsContact CD-OH 3.23Å; Q137-Y281 PolarHBondContact NE2-OH 3.2Å; Q137-Y281 VanDerWaalsContact NE2-OH 3.1Å; Q137-Y281 PolarHBondContact OE1-OH 2.81Å; F140-Y281 AromaticContact CD1-CD2 3.96Å; F140-Y281 HydrophobicContact CD1-CD2 3.96Å; F140-Y281 HydrophobicContact CD1-CE2 4.32Å; F140-Y281 AromaticContact CE1-CD2 3.49Å; F140-Y281 HydrophobicContact CE1-CD2 3.49Å; F140-Y281 VanDerWaalsContact CE1-CD2 3.49Å; F140-Y281 HydrophobicContact CE1-CE2 4.28Å; F140-Y281 HydrophobicContact CE1-CG 4.06Å; F140-Y281 HydrophobicContact CZ-CD2 4.23Å; F140-Y281 HydrophobicContact CZ-CG 4.37Å; F277-Y281 AromaticContact CE1-CD2 3.97Å; F277-Y281 HydrophobicContact CE1-CD2 3.97Å; F277-Y281 AromaticContact CZ-CD2 3.76Å; F277-Y281 HydrophobicContact CZ-CD2 3.76Å; F277-Y281 HydrophobicContact CZ-CE2 4.32Å; F277-Y281 WeakPolarHBondContact O-CB 3.12Å; F277-Y281 PolarHBondContact O-N 3.46Å; I278-Y281 PolarHBondContact O-N 3.16Å; I278-Y281 VanDerWaalsContact O-N 3.09Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.11Å; Y281-K283 VanDerWaalsContact C-N 3.26Å; Y281-K283 PolarHBondContact O-N 3.31Å; Y281-E284 PolarHBondContact O-N 3Å; Y281-E284 VanDerWaalsContact O-N 3.07Å; Y281-M285 HydrophobicContact CD1-CG 3.61Å; Y281-M285 HydrophobicContact CD1-SD 3.56Å; Y281-M285 VanDerWaalsContact CD1-SD 3.56Å; Y281-M285 HydrophobicContact CE1-CG 3.67Å; Y281-M285 HydrophobicContact CE1-SD 3.7Å; Y281-M285 WeakPolarHBondContact O-CG 3.33Å; Y281-M285 PolarHBondContact O-N 3.17Å; Y281-S295 PolarHBondContact OH-O 2.99Å; Y281-F296 HydrophobicContact CD1-CD1 4.42Å; Y281-F296 HydrophobicContact CE1-CB 4.23Å; Y281-F296 AromaticContact CE1-CD1 3.83Å; Y281-F296 HydrophobicContact CE1-CD1 3.83Å; Y281-F296 HydrophobicContact CE2-CD1 4.13Å; Y281-F296 HydrophobicContact CE2-CE1 4.41Å; Y281-F296 AromaticContact CZ-CD1 3.66Å; Y281-L301 HydrophobicContact CD1-CB 3.74Å; Y281-L301 HydrophobicContact CD1-CD1 3.9Å; Y281-L301 HydrophobicContact CD1-CD2 4.15Å; Y281-L301 HydrophobicContact CD1-CG 4.12Å; Y281-L301 HydrophobicContact CD2-CD1 3.93Å; Y281-L301 HydrophobicContact CE1-CB 3.69Å; Y281-L301 HydrophobicContact CG-CB 4.26Å; Y281-L301 HydrophobicContact CG-CD1 3.58Å; Y281-L301 HydrophobicContact CG-CG 4.31Å |
| 282 | L | 96.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 173.5 | -70.6 | 176.1 | 0 | 0 | 0 | 111.1 | I262 H265 R266 W269 I278 D279 M285 S286 L301 | I262-L282 HydrophobicContact CG2-CD2 4.47Å; H265-L282 HydrophobicContact CB-CD1 4.26Å; R266-L282 HydrophobicContact CG-CD1 4.17Å; R266-L282 HydrophobicContact CG-CD2 4.44Å; W269-L282 HydrophobicContact CZ2-CB 4.41Å; I278-L282 HydrophobicContact CG2-CD1 3.94Å; I278-L282 HydrophobicContact CG2-CG 4.25Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 2.96Å; D279-L282 PolarHBondContact O-N 3.28Å; L282-M285 PolarHBondContact O-N 3.01Å; L282-S286 PolarHBondContact O-N 3.47Å; L282-L301 HydrophobicContact CD2-CD2 3.92Å; L282-L301 HydrophobicContact CG-CD2 4.33Å |
| 283 | K | 95.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 173.7 | -177.2 | 172.2 | -176.9 | 161.2 | 0 | 113.7 | W269 P271 D279 Y281 S286 | W269-K283 HydrophobicContact CZ2-CB 4.31Å; P271-K283 WeakPolarHBondContact O-CE 3.24Å; P271-K283 PolarHBondContact O-NZ 2.93Å; D279-K283 WeakPolarHBondContact O-CB 3.25Å; D279-K283 PolarHBondContact O-N 3.17Å; Y281-K283 VanDerWaalsContact C-N 3.26Å; Y281-K283 PolarHBondContact O-N 3.31Å; K283-S286 PolarHBondContact O-OG 3.39Å |
| 284 | E | 95.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 51.9 Ų | 51.9 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.4 | -43.2 | 173.7 | -168.5 | 59.3 | -154.4 | 0 | 0 | 111 | F140 A280 Y281 S286 K287 H288 F296 | F140-E284 HydrophobicContact CD2-CB 4.19Å; F140-E284 HydrophobicContact CD2-CG 3.99Å; F140-E284 HydrophobicContact CE2-CB 3.65Å; F140-E284 HydrophobicContact CE2-CG 3.97Å; F140-E284 HydrophobicContact CZ-CB 4.32Å; A280-E284 PolarHBondContact O-N 3.06Å; Y281-E284 PolarHBondContact O-N 3Å; Y281-E284 VanDerWaalsContact O-N 3.07Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 3.14Å; E284-K287 WeakPolarHBondContact O-CB 3.49Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-K287 VanDerWaalsContact O-N 3.07Å; E284-K287 IonicContact OE2-NZ 2.73Å; E284-K287 PolarHBondContact OE2-NZ 3.28Å; E284-H288 PolarHBondContact O-CD2 3.38Å; E284-H288 IonicContact OE1-CD2 2.74Å; E284-H288 IonicContact OE1-NE2 3.8Å; E284-H288 PolarHBondContact OE1-NE2 3.38Å; E284-F296 HydrophobicContact CB-CD1 4.3Å; E284-F296 HydrophobicContact CG-CD1 3.78Å; E284-F296 HydrophobicContact CG-CD2 4.17Å; E284-F296 HydrophobicContact CG-CE1 3.78Å; E284-F296 HydrophobicContact CG-CE2 4.16Å; E284-F296 HydrophobicContact CG-CG 3.99Å; E284-F296 HydrophobicContact CG-CZ 3.97Å |
| 285 | M | 94.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.3 | -41.4 | 175 | -75.8 | 176.9 | 57.4 | 0 | 0 | 112.1 | Y281 L282 K287 H288 T289 F296 E298 L301 | Y281-M285 HydrophobicContact CD1-CG 3.61Å; Y281-M285 HydrophobicContact CD1-SD 3.56Å; Y281-M285 VanDerWaalsContact CD1-SD 3.56Å; Y281-M285 HydrophobicContact CE1-CG 3.67Å; Y281-M285 HydrophobicContact CE1-SD 3.7Å; Y281-M285 WeakPolarHBondContact O-CG 3.33Å; Y281-M285 PolarHBondContact O-N 3.17Å; L282-M285 PolarHBondContact O-N 3.01Å; M285-K287 PolarHBondContact O-N 2.91Å; M285-H288 PolarHBondContact O-N 3.29Å; M285-T289 PolarHBondContact O-N 3.36Å; M285-F296 HydrophobicContact CG-CB 3.98Å; M285-E298 HydrophobicContact CE-CB 4.34Å; M285-L301 HydrophobicContact SD-CB 4.32Å; M285-L301 HydrophobicContact SD-CD2 4.1Å |
| 286 | S | 93.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -26.9 | -179.7 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | L282 K283 E284 H288 T289 | L282-S286 PolarHBondContact O-N 3.47Å; K283-S286 PolarHBondContact O-OG 3.39Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 3.14Å; S286-H288 VanDerWaalsContact C-N 3.28Å; S286-H288 PolarHBondContact O-N 3.38Å; S286-T289 PolarHBondContact O-OG1 3.2Å |
| 287 | K | 93.1 | Very high | 92.5 | Very high | 135 Ų | 135 | 50 Ų | 50 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -72.6 | -20.9 | 175.7 | -61 | 174.4 | -167.3 | 163.7 | 0 | 113.3 | E284 M285 | E284-K287 WeakPolarHBondContact O-CB 3.49Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-K287 VanDerWaalsContact O-N 3.07Å; E284-K287 IonicContact OE2-NZ 2.73Å; E284-K287 PolarHBondContact OE2-NZ 3.28Å; M285-K287 PolarHBondContact O-N 2.91Å |
| 288 | H | 90.6 | Very high | 92.4 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 17.1 | -177.8 | -60.5 | -73.5 | 0 | 0 | 0 | 112.5 | E284 M285 S286 G290 N291 F296 | E284-H288 PolarHBondContact O-CD2 3.38Å; E284-H288 IonicContact OE1-CD2 2.74Å; E284-H288 IonicContact OE1-NE2 3.8Å; E284-H288 PolarHBondContact OE1-NE2 3.38Å; M285-H288 PolarHBondContact O-N 3.29Å; S286-H288 VanDerWaalsContact C-N 3.28Å; S286-H288 PolarHBondContact O-N 3.38Å; H288-G290 PolarHBondContact O-N 2.92Å; H288-N291 WeakPolarHBondContact O-CB 3.49Å; H288-N291 PolarHBondContact O-N 3.35Å; H288-F296 AromaticContact CD2-CD2 3.83Å; H288-F296 AromaticContact NE2-CD2 3.94Å |
| 289 | T | 82.3 | Confident | 92.4 | Very high | 122 Ų | 122 | 57 Ų | 57 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 123.2 | 178.9 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | M285 S286 | M285-T289 PolarHBondContact O-N 3.36Å; S286-T289 PolarHBondContact O-OG1 3.2Å |
| 290 | G | 80.3 | Confident | 92.4 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 87% | 0.866 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -5.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H288 | H288-G290 PolarHBondContact O-N 2.92Š|
| 291 | N | 87.9 | Confident | 92.4 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | trans | -94.4 | 97 | 173 | -176.6 | 1.6 | 0 | 0 | 0 | 111.5 | H288 T293 S294 | H288-N291 WeakPolarHBondContact O-CB 3.49Å; H288-N291 PolarHBondContact O-N 3.35Å; N291-T293 PolarHBondContact O-N 3.33Å; N291-T293 VanDerWaalsContact O-N 3.16Å; N291-T293 PolarHBondContact OD1-N 2.73Å; N291-T293 PolarHBondContact OD1-OG1 2.86Å; N291-S294 WeakPolarHBondContact O-CB 3.41Å; N291-S294 PolarHBondContact O-N 3.37Å; N291-S294 PolarHBondContact OD1-N 2.83Å | ||
| 292 | S | 81.5 | Confident | 92.5 | Very high | 122 Ų | 122 | 56.8 Ų | 56.8 | 85% | 0.853 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.1 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 293 | T | 87.3 | Confident | 92.5 | Very high | 121 Ų | 121 | 56.4 Ų | 56.4 | 74% | 0.742 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -4.9 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | N291 | N291-T293 PolarHBondContact O-N 3.33Å; N291-T293 VanDerWaalsContact O-N 3.16Å; N291-T293 PolarHBondContact OD1-N 2.73Å; N291-T293 PolarHBondContact OD1-OG1 2.86Å |
| 294 | S | 92.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 12% | 0.119 | 31% | 0.31 | C | S | . | . | trans | -63.6 | 139.4 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | N291 F296 H297 | N291-S294 WeakPolarHBondContact O-CB 3.41Å; N291-S294 PolarHBondContact O-N 3.37Å; N291-S294 PolarHBondContact OD1-N 2.83Å; S294-F296 PolarHBondContact O-N 2.91Å; S294-F296 PolarHBondContact OG-N 3.33Å; S294-F296 VanDerWaalsContact OG-N 3.07Å; S294-H297 PolarHBondContact O-CD2 3.4Å | ||
| 295 | S | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -74.6 | -12.8 | 169.6 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | E136 Q137 Y281 H297 N300 | E136-S295 WeakPolarHBondContact CB-OG 3.38Å; E136-S295 VanDerWaalsContact OE2-CB 3.29Å; E136-S295 WeakPolarHBondContact OE2-CB 3.32Å; E136-S295 PolarHBondContact OE2-OG 2.7Å; Q137-S295 PolarHBondContact NE2-O 3.42Å; Q137-S295 PolarHBondContact NE2-OG 3.05Å; Y281-S295 PolarHBondContact OH-O 2.99Å; S295-H297 PolarHBondContact O-N 2.91Å; S295-N300 WeakPolarHBondContact O-CB 3.47Å; S295-N300 PolarHBondContact O-ND2 3.09Å |
| 296 | F | 96.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 10% | 0.096 | 29% | 0.294 | C | S | . | . | trans | -88.8 | 88.9 | 178.5 | -62 | -80.3 | 0 | 0 | 0 | 110.5 | E136 F140 Y281 E284 M285 H288 S294 | E136-F296 HydrophobicContact CB-CE2 4.32Å; E136-F296 HydrophobicContact CB-CZ 4.38Å; F140-F296 HydrophobicContact CB-CE1 3.82Å; F140-F296 HydrophobicContact CB-CZ 3.9Å; F140-F296 HydrophobicContact CD1-CE1 4.18Å; F140-F296 AromaticContact CD2-CE1 3.92Å; F140-F296 HydrophobicContact CD2-CE1 3.92Å; F140-F296 HydrophobicContact CD2-CZ 4.33Å; F140-F296 AromaticContact CG-CE1 3.68Å; F140-F296 HydrophobicContact CG-CE1 3.68Å; F140-F296 HydrophobicContact CG-CZ 4.18Å; Y281-F296 HydrophobicContact CD1-CD1 4.42Å; Y281-F296 HydrophobicContact CE1-CB 4.23Å; Y281-F296 AromaticContact CE1-CD1 3.83Å; Y281-F296 HydrophobicContact CE1-CD1 3.83Å; Y281-F296 HydrophobicContact CE2-CD1 4.13Å; Y281-F296 HydrophobicContact CE2-CE1 4.41Å; Y281-F296 AromaticContact CZ-CD1 3.66Å; E284-F296 HydrophobicContact CB-CD1 4.3Å; E284-F296 HydrophobicContact CG-CD1 3.78Å; E284-F296 HydrophobicContact CG-CD2 4.17Å; E284-F296 HydrophobicContact CG-CE1 3.78Å; E284-F296 HydrophobicContact CG-CE2 4.16Å; E284-F296 HydrophobicContact CG-CG 3.99Å; E284-F296 HydrophobicContact CG-CZ 3.97Å; M285-F296 HydrophobicContact CG-CB 3.98Å; H288-F296 AromaticContact CD2-CD2 3.83Å; H288-F296 AromaticContact NE2-CD2 3.94Å; S294-F296 PolarHBondContact O-N 2.91Å; S294-F296 PolarHBondContact OG-N 3.33Å; S294-F296 VanDerWaalsContact OG-N 3.07Å | ||
| 297 | H | 95.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -141.3 | 166.7 | 175.7 | 61.2 | 74.6 | 0 | 0 | 0 | 110.7 | S294 S295 E299 N300 L301 | S294-H297 PolarHBondContact O-CD2 3.4Å; S295-H297 PolarHBondContact O-N 2.91Å; H297-E299 PolarHBondContact O-N 3Å; H297-N300 PolarHBondContact CE1-N 3.44Å; H297-N300 PolarHBondContact ND1-N 2.98Å; H297-N300 PolarHBondContact O-N 3.28Å; H297-L301 PolarHBondContact O-N 3.48Å |
| 298 | E | 95.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 42 Ų | 42 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | -170 | -176.5 | 155.4 | -124 | 0 | 0 | 114.1 | R266 M285 N300 L301 I302 | R266-E298 IonicContact CZ-OE1 2.7Å; R266-E298 IonicContact NE-OE1 2.73Å; R266-E298 IonicContact NH2-OE1 2.96Å; R266-E298 PolarHBondContact NH2-OE1 3.21Å; M285-E298 HydrophobicContact CE-CB 4.34Å; E298-N300 PolarHBondContact O-N 3.14Å; E298-L301 WeakPolarHBondContact O-CB 3.49Å; E298-L301 PolarHBondContact O-N 3.42Å; E298-L301 VanDerWaalsContact O-N 3.13Å; E298-I302 HydrophobicContact CG-CD1 4.15Å; E298-I302 WeakPolarHBondContact O-CG1 3.47Å; E298-I302 PolarHBondContact O-N 3.3Å |
| 299 | E | 95.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -33.5 | 176.6 | -175.5 | 72.4 | -155.4 | 0 | 0 | 112.2 | N124 K255 H297 C303 | N124-E299 WeakPolarHBondContact ND2-CG 3.24Å; K255-E299 IonicContact NZ-OE1 2.77Å; K255-E299 PolarHBondContact NZ-OE1 3.3Å; H297-E299 PolarHBondContact O-N 3Å; E299-C303 WeakPolarHBondContact O-CB 3.36Å; E299-C303 PolarHBondContact O-N 3.21Å; E299-C303 PolarHBondContact O-SG 3.41Å |
| 300 | N | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79 | -30.7 | 179 | -155.3 | 11.6 | 0 | 0 | 0 | 112.2 | N124 G125 Q137 S295 H297 E298 S304 | N124-N300 HydrophobicContact CB-CB 4.32Å; G125-N300 PolarHBondContact N-OD1 3.19Å; Q137-N300 WeakPolarHBondContact CG-ND2 3.31Å; Q137-N300 PolarHBondContact NE2-ND2 2.74Å; S295-N300 WeakPolarHBondContact O-CB 3.47Å; S295-N300 PolarHBondContact O-ND2 3.09Å; H297-N300 PolarHBondContact CE1-N 3.44Å; H297-N300 PolarHBondContact ND1-N 2.98Å; H297-N300 PolarHBondContact O-N 3.28Å; E298-N300 PolarHBondContact O-N 3.14Å; N300-S304 WeakPolarHBondContact O-CB 3.31Å; N300-S304 PolarHBondContact O-N 2.74Å; N300-S304 PolarHBondContact O-OG 3.16Å |
| 301 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -51.6 | 166.9 | 171.7 | 51.7 | 0 | 0 | 0 | 110.4 | I262 F277 I278 Y281 L282 M285 H297 E298 C303 S304 T305 | I262-L301 HydrophobicContact CD1-CD2 3.97Å; I262-L301 HydrophobicContact CD1-CG 3.7Å; I262-L301 HydrophobicContact CG1-CD2 4.09Å; I262-L301 HydrophobicContact CG1-CG 4.19Å; I262-L301 HydrophobicContact CG2-CD2 4.04Å; F277-L301 HydrophobicContact CE1-CD1 4.33Å; I278-L301 HydrophobicContact CG1-CD1 4.42Å; Y281-L301 HydrophobicContact CD1-CB 3.74Å; Y281-L301 HydrophobicContact CD1-CD1 3.9Å; Y281-L301 HydrophobicContact CD1-CD2 4.15Å; Y281-L301 HydrophobicContact CD1-CG 4.12Å; Y281-L301 HydrophobicContact CD2-CD1 3.93Å; Y281-L301 HydrophobicContact CE1-CB 3.69Å; Y281-L301 HydrophobicContact CG-CB 4.26Å; Y281-L301 HydrophobicContact CG-CD1 3.58Å; Y281-L301 HydrophobicContact CG-CG 4.31Å; L282-L301 HydrophobicContact CD2-CD2 3.92Å; L282-L301 HydrophobicContact CG-CD2 4.33Å; M285-L301 HydrophobicContact SD-CB 4.32Å; M285-L301 HydrophobicContact SD-CD2 4.1Å; H297-L301 PolarHBondContact O-N 3.48Å; E298-L301 WeakPolarHBondContact O-CB 3.49Å; E298-L301 PolarHBondContact O-N 3.42Å; E298-L301 VanDerWaalsContact O-N 3.13Å; L301-C303 PolarHBondContact O-N 3.47Å; L301-S304 PolarHBondContact O-N 2.97Å; L301-T305 WeakPolarHBondContact CD1-OG1 2.88Å; L301-T305 WeakPolarHBondContact O-CB 3.32Å; L301-T305 PolarHBondContact O-N 2.83Å; L301-T305 PolarHBondContact O-OG1 3.12Å; L301-T305 VanDerWaalsContact O-OG1 3.1Å |
| 302 | I | 98.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -51.5 | 177.9 | -66.4 | 161.9 | 0 | 0 | 0 | 110.4 | K255 V258 S259 I262 E298 S304 L306 | K255-I302 HydrophobicContact CB-CG2 4.07Å; K255-I302 HydrophobicContact CG-CG2 3.96Å; V258-I302 HydrophobicContact CB-CG2 4.44Å; V258-I302 HydrophobicContact CG1-CB 4.46Å; V258-I302 HydrophobicContact CG1-CG2 4.24Å; S259-I302 VanDerWaalsContact OG-CD1 3.27Å; S259-I302 WeakPolarHBondContact OG-CD1 3.39Å; I262-I302 HydrophobicContact CD1-CB 4.48Å; I262-I302 HydrophobicContact CD1-CG1 3.54Å; E298-I302 HydrophobicContact CG-CD1 4.15Å; E298-I302 WeakPolarHBondContact O-CG1 3.47Å; E298-I302 PolarHBondContact O-N 3.3Å; I302-S304 PolarHBondContact O-N 2.64Å; I302-L306 VanDerWaalsContact O-CB 3.24Å; I302-L306 WeakPolarHBondContact O-CB 3.46Å; I302-L306 PolarHBondContact O-N 3.46Å |
| 303 | C | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | -179.2 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | N124 E299 L301 D307 | N124-C303 HydrophobicContact CB-CB 3.96Å; E299-C303 WeakPolarHBondContact O-CB 3.36Å; E299-C303 PolarHBondContact O-N 3.21Å; E299-C303 PolarHBondContact O-SG 3.41Å; L301-C303 PolarHBondContact O-N 3.47Å; C303-D307 VanDerWaalsContact O-CB 3.32Å; C303-D307 WeakPolarHBondContact O-CB 3.42Å; C303-D307 VanDerWaalsContact O-CG 3.31Å; C303-D307 PolarHBondContact O-N 3.35Å |
| 304 | S | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.7 | -39.4 | -178.6 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | Q137 N300 L301 I302 D307 L308 | Q137-S304 PolarHBondContact OE1-OG 2.81Å; N300-S304 WeakPolarHBondContact O-CB 3.31Å; N300-S304 PolarHBondContact O-N 2.74Å; N300-S304 PolarHBondContact O-OG 3.16Å; L301-S304 PolarHBondContact O-N 2.97Å; I302-S304 PolarHBondContact O-N 2.64Å; S304-D307 PolarHBondContact O-N 3.38Å; S304-L308 WeakPolarHBondContact O-CG 3.27Å; S304-L308 PolarHBondContact O-N 3.21Å |
| 305 | T | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 174 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | F197 V258 I278 L301 L308 F309 | F197-T305 HydrophobicContact CD1-CG2 4.27Å; F197-T305 HydrophobicContact CE1-CG2 3.48Å; F197-T305 VanDerWaalsContact CE1-CG2 3.48Å; F197-T305 HydrophobicContact CZ-CG2 4.18Å; V258-T305 HydrophobicContact CG1-CG2 3.76Å; V258-T305 HydrophobicContact CG2-CG2 4.44Å; I278-T305 HydrophobicContact CD1-CG2 4.34Å; I278-T305 HydrophobicContact CG1-CG2 4.37Å; L301-T305 WeakPolarHBondContact CD1-OG1 2.88Å; L301-T305 WeakPolarHBondContact O-CB 3.32Å; L301-T305 PolarHBondContact O-N 2.83Å; L301-T305 PolarHBondContact O-OG1 3.12Å; L301-T305 VanDerWaalsContact O-OG1 3.1Å; T305-L308 PolarHBondContact O-N 2.91Å; T305-F309 WeakPolarHBondContact O-CB 3.46Å; T305-F309 PolarHBondContact O-N 3.48Å |
| 306 | L | 97.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 176.3 | -175.6 | 54 | 0 | 0 | 0 | 112.3 | F121 W251 L254 K255 V258 I302 L308 F309 F310 | F121-L306 HydrophobicContact CE1-CD2 4.17Å; W251-L306 HydrophobicContact CE3-CD2 3.78Å; W251-L306 HydrophobicContact CE3-CG 4.43Å; W251-L306 HydrophobicContact CZ3-CD1 4.17Å; W251-L306 HydrophobicContact CZ3-CD2 3.77Å; W251-L306 HydrophobicContact CZ3-CG 3.91Å; L254-L306 HydrophobicContact CB-CD1 3.91Å; L254-L306 HydrophobicContact CB-CD2 4.17Å; K255-L306 HydrophobicContact CG-CD2 3.88Å; V258-L306 HydrophobicContact CG2-CB 4.29Å; V258-L306 HydrophobicContact CG2-CD1 4.34Å; I302-L306 VanDerWaalsContact O-CB 3.24Å; I302-L306 WeakPolarHBondContact O-CB 3.46Å; I302-L306 PolarHBondContact O-N 3.46Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.31Å; L306-F309 HydrophobicContact CD1-CD1 4.34Å; L306-F309 PolarHBondContact O-N 3.34Å; L306-F310 VanDerWaalsContact O-CB 3.24Å; L306-F310 WeakPolarHBondContact O-CB 3.49Å; L306-F310 PolarHBondContact O-N 2.8Å |
| 307 | D | 97.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 173.8 | -87.6 | -3.8 | 0 | 0 | 0 | 111.8 | G125 L126 I127 C303 S304 A311 | G125-D307 WeakPolarHBondContact CA-OD2 3.38Å; L126-D307 WeakPolarHBondContact CA-OD2 3.34Å; L126-D307 HydrophobicContact CB-CB 4.25Å; L126-D307 PolarHBondContact N-OD2 2.93Å; I127-D307 HydrophobicContact CD1-CB 3.81Å; I127-D307 HydrophobicContact CG1-CB 3.92Å; I127-D307 PolarHBondContact N-OD2 2.86Å; C303-D307 VanDerWaalsContact O-CB 3.32Å; C303-D307 WeakPolarHBondContact O-CB 3.42Å; C303-D307 VanDerWaalsContact O-CG 3.31Å; C303-D307 PolarHBondContact O-N 3.35Å; S304-D307 PolarHBondContact O-N 3.38Å; D307-A311 WeakPolarHBondContact O-CB 3.46Å; D307-A311 PolarHBondContact O-N 2.86Å |
| 308 | L | 98.1 | Very high | 97.5 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 7% | 0.073 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.7 | -49.1 | 176.4 | -75.3 | 173.9 | 0 | 0 | 0 | 111.3 | L126 T141 I192 T196 F277 S304 T305 L306 F310 G312 L449 | L126-L308 HydrophobicContact CD2-CD2 4Å; L126-L308 HydrophobicContact CD2-CG 4.4Å; T141-L308 HydrophobicContact CG2-CD1 3.99Å; T141-L308 HydrophobicContact CG2-CD2 3.9Å; T141-L308 HydrophobicContact CG2-CG 4.4Å; I192-L308 HydrophobicContact CD1-CB 4.37Å; I192-L308 HydrophobicContact CG1-CB 4.39Å; I192-L308 WeakPolarHBondContact CG1-O 3.36Å; T196-L308 HydrophobicContact CG2-CB 3.87Å; T196-L308 HydrophobicContact CG2-CD1 3.97Å; F277-L308 HydrophobicContact CD1-CD1 3.98Å; F277-L308 HydrophobicContact CD2-CD1 3.95Å; F277-L308 HydrophobicContact CE1-CD1 3.89Å; F277-L308 HydrophobicContact CE2-CD1 3.87Å; F277-L308 HydrophobicContact CG-CD1 4.01Å; F277-L308 HydrophobicContact CZ-CD1 3.84Å; S304-L308 WeakPolarHBondContact O-CG 3.27Å; S304-L308 PolarHBondContact O-N 3.21Å; T305-L308 PolarHBondContact O-N 2.91Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.31Å; L308-F310 PolarHBondContact O-N 2.78Å; L308-G312 WeakPolarHBondContact O-CA 3.42Å; L308-G312 PolarHBondContact O-N 2.87Å; L308-L449 HydrophobicContact CD2-CD2 4.41Å |
| 309 | F | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 178.3 | 177.2 | -117.8 | 0 | 0 | 0 | 111.9 | I192 C193 F197 F208 L211 L212 L215 T305 L306 T313 | I192-F309 HydrophobicContact CG2-CD2 4.15Å; C193-F309 VanDerWaalsContact SG-CE2 3.6Å; F197-F309 HydrophobicContact CE2-CD2 4.3Å; F208-F309 HydrophobicContact CE2-CE2 4.07Å; F208-F309 HydrophobicContact CE2-CZ 4.18Å; F208-F309 HydrophobicContact CZ-CE2 4.39Å; L211-F309 HydrophobicContact CD1-CE1 4.49Å; L211-F309 HydrophobicContact CD2-CD1 4.47Å; L211-F309 HydrophobicContact CD2-CE1 3.47Å; L211-F309 VanDerWaalsContact CD2-CE1 3.47Å; L211-F309 HydrophobicContact CD2-CE2 4.29Å; L211-F309 HydrophobicContact CD2-CZ 3.36Å; L211-F309 HydrophobicContact CG-CE1 3.74Å; L211-F309 HydrophobicContact CG-CZ 3.92Å; L212-F309 HydrophobicContact CD2-CZ 4.25Å; L215-F309 HydrophobicContact CD1-CD1 3.78Å; L215-F309 HydrophobicContact CD1-CE1 3.41Å; L215-F309 VanDerWaalsContact CD1-CE1 3.41Å; L215-F309 HydrophobicContact CD1-CZ 3.93Å; T305-F309 WeakPolarHBondContact O-CB 3.46Å; T305-F309 PolarHBondContact O-N 3.48Å; L306-F309 HydrophobicContact CD1-CD1 4.34Å; L306-F309 PolarHBondContact O-N 3.34Å; F309-T313 WeakPolarHBondContact O-CB 3.42Å; F309-T313 PolarHBondContact O-N 2.84Å; F309-T313 VanDerWaalsContact O-N 3.12Å; F309-T313 PolarHBondContact O-OG1 2.68Å |
| 310 | F | 96.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 7.9 Ų | 7.9 | 11% | 0.11 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.7 | -57.2 | 177.3 | 176.9 | -98.9 | 0 | 0 | 0 | 112.3 | L215 V218 T219 W251 L306 L308 G312 T313 E314 I487 | L215-F310 HydrophobicContact CD1-CD2 4.42Å; L215-F310 HydrophobicContact CD2-CD2 3.85Å; L215-F310 HydrophobicContact CD2-CE2 4.09Å; L215-F310 HydrophobicContact CG-CD2 3.87Å; L215-F310 HydrophobicContact CG-CE2 4.44Å; V218-F310 HydrophobicContact CG2-CE2 4.4Å; T219-F310 VanDerWaalsContact OG1-CE2 3.3Å; T219-F310 WeakPolarHBondContact OG1-CE2 3.5Å; W251-F310 AromaticContact CH2-CD2 4Å; W251-F310 HydrophobicContact CH2-CD2 4Å; W251-F310 HydrophobicContact CH2-CE2 4.39Å; W251-F310 HydrophobicContact CH2-CG 4.32Å; L306-F310 VanDerWaalsContact O-CB 3.24Å; L306-F310 WeakPolarHBondContact O-CB 3.49Å; L306-F310 PolarHBondContact O-N 2.8Å; L308-F310 PolarHBondContact O-N 2.78Å; F310-G312 PolarHBondContact O-N 3.04Å; F310-T313 PolarHBondContact O-N 2.92Å; F310-E314 PolarHBondContact O-N 2.88Å; F310-E314 VanDerWaalsContact O-N 3.15Å; F310-I487 HydrophobicContact CZ-CD1 3.94Å |
| 311 | A | 96.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 8 Ų | 8 | 29% | 0.289 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -68 | -37.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I127 D307 T313 T315 | I127-A311 HydrophobicContact CD1-CB 4.12Å; D307-A311 WeakPolarHBondContact O-CB 3.46Å; D307-A311 PolarHBondContact O-N 2.86Å; A311-T313 VanDerWaalsContact C-N 3.32Å; A311-T315 PolarHBondContact O-OG1 2.82Å |
| 312 | G | 96.8 | Very high | 97.9 | Very high | 14 Ų | 14 | 8.3 Ų | 8.3 | 14% | 0.144 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.1 | -26.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V188 L308 F310 | V188-G312 WeakPolarHBondContact CG1-O 3.4Å; L308-G312 WeakPolarHBondContact O-CA 3.42Å; L308-G312 PolarHBondContact O-N 2.87Å; F310-G312 PolarHBondContact O-N 3.04Å |
| 313 | T | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -86 | -68.4 | 179.4 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | V188 S189 L212 L215 F309 F310 A311 T315 S317 | V188-T313 WeakPolarHBondContact CG1-O 3.47Å; S189-T313 WeakPolarHBondContact OG-CB 3.41Å; S189-T313 WeakPolarHBondContact OG-CG2 3.21Å; S189-T313 PolarHBondContact OG-OG1 3.38Å; L212-T313 HydrophobicContact CD2-CG2 4.2Å; L215-T313 HydrophobicContact CD1-CG2 4.24Å; L215-T313 HydrophobicContact CD2-CG2 4.27Å; F309-T313 WeakPolarHBondContact O-CB 3.42Å; F309-T313 PolarHBondContact O-N 2.84Å; F309-T313 VanDerWaalsContact O-N 3.12Å; F309-T313 PolarHBondContact O-OG1 2.68Å; F310-T313 PolarHBondContact O-N 2.92Å; A311-T313 VanDerWaalsContact C-N 3.32Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 3.43Å; T313-S317 VanDerWaalsContact O-CB 3.3Å; T313-S317 WeakPolarHBondContact O-CB 3.24Å; T313-S317 PolarHBondContact O-N 2.84Å; T313-S317 VanDerWaalsContact O-N 3.11Å; T313-S317 PolarHBondContact O-OG 2.77Å; T313-S317 VanDerWaalsContact O-OG 3.05Å |
| 314 | E | 96.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.7 | -34.1 | -160.6 | 174.2 | 58.5 | -159.7 | 0 | 0 | 112.9 | L215 T219 Y220 F310 S317 T318 T488 | L215-E314 HydrophobicContact CD2-CB 3.71Å; L215-E314 HydrophobicContact CD2-CG 4.44Å; T219-E314 HydrophobicContact CG2-CG 3.96Å; Y220-E314 PolarHBondContact OH-OE1 3.1Å; F310-E314 PolarHBondContact O-N 2.88Å; F310-E314 VanDerWaalsContact O-N 3.15Å; E314-S317 PolarHBondContact O-OG 2.76Å; E314-T318 WeakPolarHBondContact O-CB 3.14Å; E314-T318 PolarHBondContact O-N 2.86Å; E314-T318 VanDerWaalsContact O-N 3.07Å; E314-T318 PolarHBondContact O-OG1 2.92Å; E314-T318 PolarHBondContact OE1-OG1 3.37Å; E314-T318 VanDerWaalsContact OE1-OG1 3.11Å; E314-T488 HydrophobicContact CG-CG2 3.92Å; E314-T488 PolarHBondContact OE1-OG1 3.45Å |
| 315 | T | 98.1 | Very high | 97.9 | Very high | 38 Ų | 38 | 8 Ų | 8 | 23% | 0.233 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -77 | -47.6 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | A311 T313 T319 I375 T488 | A311-T315 PolarHBondContact O-OG1 2.82Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 3.43Å; T315-T319 PolarHBondContact O-N 3.47Å; T315-T319 VanDerWaalsContact O-N 3.15Å; T315-T319 PolarHBondContact O-OG1 2.9Å; T315-I375 HydrophobicContact CG2-CD1 4.24Å; T315-I375 VanDerWaalsContact O-CD1 3.28Å; T315-I375 WeakPolarHBondContact O-CD1 3.46Å; T315-T488 HydrophobicContact CG2-CG2 4.27Å |
| 316 | T | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 3% | 0.025 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | V188 T318 T319 L320 E457 L458 | V188-T316 HydrophobicContact CG1-CG2 4.06Å; V188-T316 HydrophobicContact CG2-CG2 4.06Å; T316-T318 PolarHBondContact O-N 3.38Å; T316-T319 WeakPolarHBondContact O-CB 3.43Å; T316-T319 PolarHBondContact O-N 3.24Å; T316-T319 VanDerWaalsContact O-N 3.13Å; T316-L320 HydrophobicContact CG2-CD1 4.23Å; T316-L320 PolarHBondContact O-N 3.27Å; T316-E457 HydrophobicContact CG2-CB 3.9Å; T316-E457 VanDerWaalsContact CG2-OE2 3.28Å; T316-E457 WeakPolarHBondContact CG2-OE2 3.37Å; T316-E457 PolarHBondContact OG1-OE2 3.27Å; T316-E457 VanDerWaalsContact OG1-OE2 3.1Å; T316-L458 HydrophobicContact CG2-CD2 3.88Å; T316-L458 HydrophobicContact CG2-CG 4.17Å |
| 317 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | -178.5 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | N185 T313 E314 T319 L320 R321 | N185-S317 WeakPolarHBondContact OD1-CB 3.5Å; N185-S317 PolarHBondContact OD1-OG 2.89Å; T313-S317 VanDerWaalsContact O-CB 3.3Å; T313-S317 WeakPolarHBondContact O-CB 3.24Å; T313-S317 PolarHBondContact O-N 2.84Å; T313-S317 VanDerWaalsContact O-N 3.11Å; T313-S317 PolarHBondContact O-OG 2.77Å; T313-S317 VanDerWaalsContact O-OG 3.05Å; E314-S317 PolarHBondContact O-OG 2.76Å; S317-T319 VanDerWaalsContact C-N 3.3Å; S317-T319 PolarHBondContact O-N 3.01Å; S317-L320 PolarHBondContact O-N 3.35Å; S317-R321 VanDerWaalsContact O-CG 3.29Å; S317-R321 WeakPolarHBondContact O-CG 3.41Å; S317-R321 PolarHBondContact O-N 2.86Å |
| 318 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 175 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | E314 T316 R321 W322 I375 I489 | E314-T318 WeakPolarHBondContact O-CB 3.14Å; E314-T318 PolarHBondContact O-N 2.86Å; E314-T318 VanDerWaalsContact O-N 3.07Å; E314-T318 PolarHBondContact O-OG1 2.92Å; E314-T318 PolarHBondContact OE1-OG1 3.37Å; E314-T318 VanDerWaalsContact OE1-OG1 3.11Å; T316-T318 PolarHBondContact O-N 3.38Å; T318-R321 PolarHBondContact O-N 3.25Å; T318-W322 VanDerWaalsContact O-CD1 3.29Å; T318-W322 PolarHBondContact O-N 2.81Å; T318-I375 HydrophobicContact CG2-CB 4.39Å; T318-I375 HydrophobicContact CG2-CG2 3.75Å; T318-I489 VanDerWaalsContact CG2-O 3.29Å; T318-I489 WeakPolarHBondContact CG2-O 3.3Å |
| 319 | T | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 10.1 Ų | 10.1 | 4% | 0.043 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | T315 T316 S317 W322 A323 V369 Q370 I375 L458 | T315-T319 PolarHBondContact O-N 3.47Å; T315-T319 VanDerWaalsContact O-N 3.15Å; T315-T319 PolarHBondContact O-OG1 2.9Å; T316-T319 WeakPolarHBondContact O-CB 3.43Å; T316-T319 PolarHBondContact O-N 3.24Å; T316-T319 VanDerWaalsContact O-N 3.13Å; S317-T319 VanDerWaalsContact C-N 3.3Å; S317-T319 PolarHBondContact O-N 3.01Å; T319-W322 WeakPolarHBondContact O-CB 3.35Å; T319-W322 PolarHBondContact O-N 3.01Å; T319-A323 PolarHBondContact O-N 3.3Å; T319-V369 HydrophobicContact CG2-CG1 4.09Å; T319-V369 WeakPolarHBondContact O-CG1 3.43Å; T319-Q370 HydrophobicContact CG2-CG 3.79Å; T319-I375 WeakPolarHBondContact OG1-CD1 3.44Å; T319-L458 HydrophobicContact CG2-CD1 4.04Å; T319-L458 HydrophobicContact CG2-CD2 3.53Å; T319-L458 HydrophobicContact CG2-CG 4.45Å |
| 320 | L | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 175.5 | -73 | 172 | 0 | 0 | 0 | 112.1 | I184 V188 T316 S317 W322 A323 L324 L458 F461 F462 | I184-L320 HydrophobicContact CD1-CB 4.41Å; I184-L320 HydrophobicContact CG2-CB 3.78Å; I184-L320 HydrophobicContact CG2-CD1 3.94Å; V188-L320 HydrophobicContact CG2-CD1 3.74Å; T316-L320 HydrophobicContact CG2-CD1 4.23Å; T316-L320 PolarHBondContact O-N 3.27Å; S317-L320 PolarHBondContact O-N 3.35Å; L320-W322 PolarHBondContact O-N 3.02Å; L320-A323 WeakPolarHBondContact O-CA 3.4Å; L320-A323 VanDerWaalsContact O-CB 3.27Å; L320-A323 WeakPolarHBondContact O-CB 3.29Å; L320-A323 PolarHBondContact O-N 3.13Å; L320-A323 VanDerWaalsContact O-N 3.08Å; L320-L324 WeakPolarHBondContact O-CG 3.3Å; L320-L324 PolarHBondContact O-N 3.3Å; L320-L458 HydrophobicContact CD2-CD2 3.99Å; L320-L458 HydrophobicContact CG-CD2 3.93Å; L320-F461 HydrophobicContact CD1-CB 3.73Å; L320-F461 HydrophobicContact CD1-CD2 3.9Å; L320-F461 HydrophobicContact CD1-CG 4.04Å; L320-F461 HydrophobicContact CD2-CB 3.93Å; L320-F462 HydrophobicContact CD2-CB 4.25Å |
| 321 | R | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 173.6 | -70.3 | 168.1 | 64.2 | -153.3 | -4.9 | 111.7 | H181 I184 S317 T318 A323 L325 P491 | H181-R321 VanDerWaalsContact CD2-CZ 3.4Å; H181-R321 PolarHBondContact CD2-NH1 3.21Å; H181-R321 PolarHBondContact NE2-NH1 3.46Å; H181-R321 VanDerWaalsContact NE2-NH1 3.12Å; I184-R321 HydrophobicContact CD1-CG 3.91Å; S317-R321 VanDerWaalsContact O-CG 3.29Å; S317-R321 WeakPolarHBondContact O-CG 3.41Å; S317-R321 PolarHBondContact O-N 2.86Å; T318-R321 PolarHBondContact O-N 3.25Å; R321-A323 VanDerWaalsContact C-N 3.32Å; R321-L325 WeakPolarHBondContact O-CB 3.39Å; R321-L325 PolarHBondContact O-N 3.03Å; R321-L325 VanDerWaalsContact O-N 3.08Å; R321-P491 HydrophobicContact CB-CG 3.84Å; R321-P491 PolarHBondContact NH2-O 2.78Å |
| 322 | W | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 170.2 | -83.3 | 117 | 0 | 0 | 0 | 111.9 | T318 T319 L320 L324 L325 Y326 V369 P481 F483 I489 P491 | T318-W322 VanDerWaalsContact O-CD1 3.29Å; T318-W322 PolarHBondContact O-N 2.81Å; T319-W322 WeakPolarHBondContact O-CB 3.35Å; T319-W322 PolarHBondContact O-N 3.01Å; L320-W322 PolarHBondContact O-N 3.02Å; W322-L324 PolarHBondContact O-N 3.04Å; W322-L325 HydrophobicContact CE3-CD2 3.91Å; W322-L325 HydrophobicContact CZ3-CD2 3.73Å; W322-L325 PolarHBondContact O-N 3.35Å; W322-Y326 HydrophobicContact CB-CD2 4.31Å; W322-Y326 HydrophobicContact CB-CE2 4.15Å; W322-Y326 HydrophobicContact CD2-CE2 4.31Å; W322-Y326 HydrophobicContact CE3-CD2 4.44Å; W322-Y326 AromaticContact CE3-CE2 3.71Å; W322-Y326 HydrophobicContact CE3-CE2 3.71Å; W322-Y326 AromaticContact CE3-CZ 3.8Å; W322-Y326 WeakPolarHBondContact O-CD2 3.32Å; W322-Y326 PolarHBondContact O-N 3.17Å; W322-V369 HydrophobicContact CB-CG1 4.08Å; W322-P481 HydrophobicContact CZ3-CB 4.42Å; W322-F483 HydrophobicContact CH2-CB 4.28Å; W322-F483 HydrophobicContact CZ2-CB 3.97Å; W322-I489 HydrophobicContact CZ2-CG2 4.18Å; W322-I489 PolarHBondContact NE1-O 3.31Å; W322-P491 HydrophobicContact CD2-CB 4.27Å; W322-P491 HydrophobicContact CD2-CG 4.36Å; W322-P491 HydrophobicContact CE3-CB 4.31Å; W322-P491 HydrophobicContact CH2-CB 4.23Å; W322-P491 HydrophobicContact CZ2-CB 4.19Å; W322-P491 HydrophobicContact CZ3-CB 4.3Å |
| 323 | A | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58 | -50.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T319 L320 R321 L325 Y326 M327 V369 F462 | T319-A323 PolarHBondContact O-N 3.3Å; L320-A323 WeakPolarHBondContact O-CA 3.4Å; L320-A323 VanDerWaalsContact O-CB 3.27Å; L320-A323 WeakPolarHBondContact O-CB 3.29Å; L320-A323 PolarHBondContact O-N 3.13Å; L320-A323 VanDerWaalsContact O-N 3.08Å; R321-A323 VanDerWaalsContact C-N 3.32Å; A323-L325 PolarHBondContact O-N 3.42Å; A323-Y326 PolarHBondContact O-N 3.43Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 3.45Å; A323-V369 HydrophobicContact CB-CG1 3.83Å; A323-V369 HydrophobicContact CB-CG2 4.06Å; A323-F462 HydrophobicContact CB-CD2 3.67Å; A323-F462 HydrophobicContact CB-CE2 3.87Å |
| 324 | L | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 179 | -62.2 | -167.6 | 0 | 0 | 0 | 112.3 | P180 I184 L320 W322 Y326 M327 A328 L465 F471 L496 | P180-L324 HydrophobicContact CB-CD1 4.26Å; I184-L324 HydrophobicContact CD1-CD1 3.66Å; I184-L324 HydrophobicContact CD1-CG 4.4Å; L320-L324 WeakPolarHBondContact O-CG 3.3Å; L320-L324 PolarHBondContact O-N 3.3Å; W322-L324 PolarHBondContact O-N 3.04Å; L324-Y326 VanDerWaalsContact C-N 3.34Å; L324-Y326 PolarHBondContact O-N 3.44Å; L324-M327 PolarHBondContact O-N 2.84Å; L324-A328 PolarHBondContact O-N 2.96Å; L324-L465 HydrophobicContact CD1-CD1 4.36Å; L324-L465 HydrophobicContact CD2-CB 4.46Å; L324-L465 HydrophobicContact CD2-CD1 4.09Å; L324-F471 HydrophobicContact CD1-CD1 4.42Å; L324-F471 HydrophobicContact CD1-CE1 3.93Å; L324-F471 HydrophobicContact CD1-CZ 4.15Å; L324-F471 HydrophobicContact CD2-CD1 4.44Å; L324-F471 HydrophobicContact CD2-CD2 3.94Å; L324-F471 HydrophobicContact CD2-CE1 4.16Å; L324-F471 HydrophobicContact CD2-CE2 3.63Å; L324-F471 HydrophobicContact CD2-CG 4.34Å; L324-F471 HydrophobicContact CD2-CZ 3.75Å; L324-L496 HydrophobicContact CB-CD1 3.68Å; L324-L496 HydrophobicContact CD1-CD1 4.42Å |
| 325 | L | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 174.9 | 178.7 | 59.1 | 0 | 0 | 0 | 111.4 | R321 W322 A323 A328 L329 L479 P491 | R321-L325 WeakPolarHBondContact O-CB 3.39Å; R321-L325 PolarHBondContact O-N 3.03Å; R321-L325 VanDerWaalsContact O-N 3.08Å; W322-L325 HydrophobicContact CE3-CD2 3.91Å; W322-L325 HydrophobicContact CZ3-CD2 3.73Å; W322-L325 PolarHBondContact O-N 3.35Å; A323-L325 PolarHBondContact O-N 3.42Å; L325-A328 PolarHBondContact O-N 3.21Å; L325-L329 HydrophobicContact CD1-CD1 4.02Å; L325-L329 HydrophobicContact CD1-CG 4.23Å; L325-L329 HydrophobicContact CG-CD1 3.92Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 VanDerWaalsContact O-CG 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.5Å; L325-L329 PolarHBondContact O-N 3.15Å; L325-L479 HydrophobicContact CD1-CB 4.02Å; L325-L479 HydrophobicContact CD1-CD1 4.15Å; L325-L479 HydrophobicContact CD1-CD2 4.02Å; L325-L479 HydrophobicContact CD1-CG 4.28Å; L325-P491 HydrophobicContact CD2-CB 3.71Å |
| 326 | Y | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 176.6 | -73.9 | -53.7 | 0 | 0 | 0 | 112.5 | W322 A323 L324 A328 L329 Y330 V369 M372 F421 | W322-Y326 HydrophobicContact CB-CD2 4.31Å; W322-Y326 HydrophobicContact CB-CE2 4.15Å; W322-Y326 HydrophobicContact CD2-CE2 4.31Å; W322-Y326 HydrophobicContact CE3-CD2 4.44Å; W322-Y326 AromaticContact CE3-CE2 3.71Å; W322-Y326 HydrophobicContact CE3-CE2 3.71Å; W322-Y326 AromaticContact CE3-CZ 3.8Å; W322-Y326 WeakPolarHBondContact O-CD2 3.32Å; W322-Y326 PolarHBondContact O-N 3.17Å; A323-Y326 PolarHBondContact O-N 3.43Å; L324-Y326 VanDerWaalsContact C-N 3.34Å; L324-Y326 PolarHBondContact O-N 3.44Å; Y326-A328 VanDerWaalsContact C-N 3.29Å; Y326-A328 PolarHBondContact O-N 2.92Å; Y326-L329 PolarHBondContact O-N 2.83Å; Y326-Y330 HydrophobicContact CD1-CD2 4.13Å; Y326-Y330 AromaticContact CD1-CE2 3.8Å; Y326-Y330 HydrophobicContact CD1-CE2 3.8Å; Y326-Y330 HydrophobicContact CE1-CE2 4.38Å; Y326-Y330 WeakPolarHBondContact O-CB 3.35Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.33Å; Y326-Y330 PolarHBondContact O-N 3.27Å; Y326-V369 HydrophobicContact CD2-CG1 4.39Å; Y326-V369 HydrophobicContact CD2-CG2 4.12Å; Y326-M372 HydrophobicContact CE2-CB 4.07Å; Y326-M372 WeakPolarHBondContact OH-CB 3.26Å; Y326-F421 HydrophobicContact CD1-CB 4.36Å; Y326-F421 HydrophobicContact CD1-CD1 4.44Å; Y326-F421 AromaticContact CD1-CD2 3.93Å; Y326-F421 HydrophobicContact CD1-CD2 3.93Å; Y326-F421 HydrophobicContact CD1-CE2 4.35Å; Y326-F421 AromaticContact CD1-CG 4Å; Y326-F421 HydrophobicContact CD1-CG 4Å; Y326-F421 HydrophobicContact CD2-CD2 4.07Å; Y326-F421 AromaticContact CD2-CE2 3.87Å; Y326-F421 HydrophobicContact CD2-CE2 3.87Å; Y326-F421 HydrophobicContact CD2-CZ 4.48Å; Y326-F421 HydrophobicContact CE1-CB 4.4Å; Y326-F421 HydrophobicContact CE1-CD2 4.18Å; Y326-F421 HydrophobicContact CE1-CG 4.38Å; Y326-F421 HydrophobicContact CE2-CD2 4.31Å; Y326-F421 HydrophobicContact CE2-CE2 4.43Å; Y326-F421 AromaticContact CG-CD2 3.89Å; Y326-F421 HydrophobicContact CG-CD2 3.89Å; Y326-F421 HydrophobicContact CG-CE1 4.49Å; Y326-F421 AromaticContact CG-CE2 3.84Å; Y326-F421 HydrophobicContact CG-CE2 3.84Å; Y326-F421 HydrophobicContact CG-CG 4.28Å; Y326-F421 HydrophobicContact CG-CZ 4.15Å |
| 327 | M | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.9 | -68 | -53.7 | 92.6 | 0 | 0 | 112 | A323 L324 Y330 I333 Q334 V365 F421 F462 V466 | A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 3.45Å; L324-M327 PolarHBondContact O-N 2.84Å; M327-Y330 CarbonylContact O-C 3.52Å; M327-I333 HydrophobicContact CE-CG2 4Å; M327-Q334 HydrophobicContact CB-CB 4.17Å; M327-Q334 HydrophobicContact CB-CG 4.16Å; M327-Q334 PolarHBondContact O-NE2 2.69Å; M327-Q334 HydrophobicContact SD-CB 3.88Å; M327-Q334 HydrophobicContact SD-CG 4.28Å; M327-V365 HydrophobicContact CE-CG1 3.62Å; M327-V365 HydrophobicContact SD-CG1 4.41Å; M327-F421 HydrophobicContact CE-CE1 4.14Å; M327-F421 HydrophobicContact CE-CZ 4.13Å; M327-F462 HydrophobicContact CE-CE2 4.47Å; M327-F462 HydrophobicContact CE-CZ 4.24Å; M327-F462 HydrophobicContact CG-CE2 3.7Å; M327-F462 HydrophobicContact CG-CZ 4.02Å; M327-F462 HydrophobicContact SD-CE2 3.99Å; M327-F462 HydrophobicContact SD-CZ 3.67Å; M327-V466 HydrophobicContact CG-CG2 4.2Å |
| 328 | A | 97.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 7% | 0.066 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.1 | -28.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L324 L325 Y326 F471 L479 L496 | L324-A328 PolarHBondContact O-N 2.96Å; L325-A328 PolarHBondContact O-N 3.21Å; Y326-A328 VanDerWaalsContact C-N 3.29Å; Y326-A328 PolarHBondContact O-N 2.92Å; A328-F471 HydrophobicContact CB-CB 4.42Å; A328-L479 HydrophobicContact CB-CD1 3.47Å; A328-L479 VanDerWaalsContact CB-CD1 3.47Å; A328-L496 HydrophobicContact CB-CD2 3.77Å |
| 329 | L | 96.6 | Very high | 98.3 | Very high | 55 Ų | 55 | 31.1 Ų | 31.1 | 29% | 0.288 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -80 | -29.8 | 176.7 | -76.2 | 171.5 | 0 | 0 | 0 | 113.4 | L325 Y326 P331 L479 P481 | L325-L329 HydrophobicContact CD1-CD1 4.02Å; L325-L329 HydrophobicContact CD1-CG 4.23Å; L325-L329 HydrophobicContact CG-CD1 3.92Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 VanDerWaalsContact O-CG 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.5Å; L325-L329 PolarHBondContact O-N 3.15Å; Y326-L329 PolarHBondContact O-N 2.83Å; L329-P331 WeakPolarHBondContact O-CD 3.5Å; L329-L479 HydrophobicContact CD2-CB 3.65Å; L329-L479 HydrophobicContact CG-CB 4.23Å; L329-P481 HydrophobicContact CD1-CB 4.45Å |
| 330 | Y | 97.5 | Very high | 98.3 | Very high | 66 Ų | 66 | 31.4 Ų | 31.4 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | trans | -124.6 | 70.7 | -175.7 | -61.1 | -85.9 | 0 | 0 | 0 | 110.3 | Y326 M327 E332 I333 Q334 F421 | Y326-Y330 HydrophobicContact CD1-CD2 4.13Å; Y326-Y330 AromaticContact CD1-CE2 3.8Å; Y326-Y330 HydrophobicContact CD1-CE2 3.8Å; Y326-Y330 HydrophobicContact CE1-CE2 4.38Å; Y326-Y330 WeakPolarHBondContact O-CB 3.35Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.33Å; Y326-Y330 PolarHBondContact O-N 3.27Å; M327-Y330 CarbonylContact O-C 3.52Å; Y330-E332 VanDerWaalsContact C-OE2 3.28Å; Y330-E332 WeakPolarHBondContact CD1-OE1 3.38Å; Y330-E332 PolarHBondContact O-N 3.13Å; Y330-I333 HydrophobicContact CD1-CD1 4.28Å; Y330-I333 HydrophobicContact CG-CD1 4.12Å; Y330-I333 PolarHBondContact O-N 2.79Å; Y330-Q334 PolarHBondContact O-N 3.5Å; Y330-Q334 VanDerWaalsContact O-N 3.11Å; Y330-F421 HydrophobicContact CD2-CB 4.27Å; Y330-F421 AromaticContact CD2-CD1 3.58Å; Y330-F421 HydrophobicContact CD2-CD1 3.58Å; Y330-F421 HydrophobicContact CD2-CE1 4.27Å; Y330-F421 HydrophobicContact CD2-CG 4.18Å; Y330-F421 HydrophobicContact CE1-CB 4.41Å; Y330-F421 HydrophobicContact CE2-CB 3.65Å; Y330-F421 AromaticContact CE2-CD1 3.88Å; Y330-F421 HydrophobicContact CE2-CD1 3.88Å; Y330-F421 HydrophobicContact CE2-CG 4.02Å; Y330-F421 AromaticContact CG-CD1 3.95Å; Y330-F421 HydrophobicContact CG-CD1 3.95Å | ||
| 331 | P | 97.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 31.3 Ų | 31.3 | 43% | 0.429 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.9 | -33 | -176.5 | 23.4 | -34.1 | 0 | 0 | 0 | 113 | L329 I333 Q334 E335 | L329-P331 WeakPolarHBondContact O-CD 3.5Å; P331-I333 VanDerWaalsContact C-N 3.3Å; P331-I333 PolarHBondContact O-N 3.28Å; P331-Q334 WeakPolarHBondContact O-CB 3.28Å; P331-Q334 PolarHBondContact O-N 3.47Å; P331-E335 WeakPolarHBondContact O-CG 3.46Å; P331-E335 PolarHBondContact O-N 2.84Å |
| 332 | E | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 34.3 Ų | 34.3 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -30.7 | 176.8 | 73.5 | -69.7 | 170.6 | 0 | 0 | 113.2 | Y330 K336 | Y330-E332 VanDerWaalsContact C-OE2 3.28Å; Y330-E332 WeakPolarHBondContact CD1-OE1 3.38Å; Y330-E332 PolarHBondContact O-N 3.13Å; E332-K336 WeakPolarHBondContact O-CG 3.28Å; E332-K336 PolarHBondContact O-N 3.05Å |
| 333 | I | 98.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.5 | -41.8 | 173.5 | -66.4 | 174.5 | 0 | 0 | 0 | 109.4 | M327 Y330 P331 E335 K336 V337 Y361 V365 F421 P423 | M327-I333 HydrophobicContact CE-CG2 4Å; Y330-I333 HydrophobicContact CD1-CD1 4.28Å; Y330-I333 HydrophobicContact CG-CD1 4.12Å; Y330-I333 PolarHBondContact O-N 2.79Å; P331-I333 VanDerWaalsContact C-N 3.3Å; P331-I333 PolarHBondContact O-N 3.28Å; I333-E335 PolarHBondContact O-N 3.26Å; I333-K336 PolarHBondContact O-N 3.01Å; I333-V337 WeakPolarHBondContact O-CG2 3.46Å; I333-V337 PolarHBondContact O-N 2.86Å; I333-Y361 HydrophobicContact CG2-CE1 4.22Å; I333-V365 HydrophobicContact CG2-CG1 4.45Å; I333-V365 HydrophobicContact CG2-CG2 3.68Å; I333-F421 HydrophobicContact CD1-CD1 3.51Å; I333-F421 HydrophobicContact CD1-CE1 3.59Å; I333-F421 HydrophobicContact CG2-CE1 4.11Å; I333-P423 HydrophobicContact CD1-CG 4.01Å; I333-P423 HydrophobicContact CG1-CG 4.45Å; I333-P423 HydrophobicContact CG2-CG 3.92Å |
| 334 | Q | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 176.2 | -179.8 | 173.1 | -159.3 | 0 | 0 | 111.2 | M327 Y330 P331 K336 V337 Q338 V466 F471 | M327-Q334 HydrophobicContact CB-CB 4.17Å; M327-Q334 HydrophobicContact CB-CG 4.16Å; M327-Q334 PolarHBondContact O-NE2 2.69Å; M327-Q334 HydrophobicContact SD-CB 3.88Å; M327-Q334 HydrophobicContact SD-CG 4.28Å; Y330-Q334 PolarHBondContact O-N 3.5Å; Y330-Q334 VanDerWaalsContact O-N 3.11Å; P331-Q334 WeakPolarHBondContact O-CB 3.28Å; P331-Q334 PolarHBondContact O-N 3.47Å; Q334-K336 VanDerWaalsContact C-N 3.32Å; Q334-K336 PolarHBondContact O-N 3.41Å; Q334-V337 WeakPolarHBondContact O-CB 3.17Å; Q334-V337 PolarHBondContact O-N 2.97Å; Q334-Q338 HydrophobicContact CG-CG 4.32Å; Q334-Q338 WeakPolarHBondContact O-CB 3.05Å; Q334-Q338 VanDerWaalsContact O-CG 3.25Å; Q334-Q338 WeakPolarHBondContact O-CG 3.43Å; Q334-Q338 PolarHBondContact O-N 3.47Å; Q334-V466 HydrophobicContact CG-CG1 4.36Å; Q334-F471 PolarHBondContact NE2-O 2.87Å |
| 335 | E | 98.6 | Very high | 98 | Very high | 128 Ų | 128 | 45.2 Ų | 45.2 | 60% | 0.598 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -57.9 | -41.2 | 176.5 | -76.2 | 174.2 | -171.5 | 0 | 0 | 112.6 | P331 I333 Q338 A339 | P331-E335 WeakPolarHBondContact O-CG 3.46Å; P331-E335 PolarHBondContact O-N 2.84Å; I333-E335 PolarHBondContact O-N 3.26Å; E335-Q338 PolarHBondContact O-N 2.95Å; E335-A339 WeakPolarHBondContact O-CB 3.32Å; E335-A339 PolarHBondContact O-N 3.01Å |
| 336 | K | 98.6 | Very high | 97.8 | Very high | 111 Ų | 111 | 46.2 Ų | 46.2 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 176.2 | -73.4 | 174.3 | 177.1 | -176.9 | 0 | 112.6 | E332 I333 Q334 E340 Y361 | E332-K336 WeakPolarHBondContact O-CG 3.28Å; E332-K336 PolarHBondContact O-N 3.05Å; I333-K336 PolarHBondContact O-N 3.01Å; Q334-K336 VanDerWaalsContact C-N 3.32Å; Q334-K336 PolarHBondContact O-N 3.41Å; K336-E340 PolarHBondContact O-N 3.1Å; K336-Y361 HydrophobicContact CB-CD1 3.88Å; K336-Y361 HydrophobicContact CB-CE1 3.32Å; K336-Y361 HydrophobicContact CD-CE1 4.07Å; K336-Y361 HydrophobicContact CD-CE2 4.07Å; K336-Y361 VanDerWaalsContact CD-OH 3.26Å; K336-Y361 WeakPolarHBondContact CD-OH 3.42Å; K336-Y361 HydrophobicContact CG-CE1 4.37Å |
| 337 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.3 | 171 | 0 | 0 | 0 | 0 | 110 | I333 Q334 A339 E340 I341 Y361 T362 V365 F462 V466 | I333-V337 WeakPolarHBondContact O-CG2 3.46Å; I333-V337 PolarHBondContact O-N 2.86Å; Q334-V337 WeakPolarHBondContact O-CB 3.17Å; Q334-V337 PolarHBondContact O-N 2.97Å; V337-A339 PolarHBondContact O-N 3.41Å; V337-E340 PolarHBondContact O-N 3.16Å; V337-I341 HydrophobicContact CG1-CD1 3.67Å; V337-I341 HydrophobicContact CG1-CG1 4.34Å; V337-I341 VanDerWaalsContact O-CG1 3.31Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 2.89Å; V337-Y361 HydrophobicContact CG2-CD1 3.96Å; V337-Y361 HydrophobicContact CG2-CE1 3.94Å; V337-T362 HydrophobicContact CG1-CG2 4.24Å; V337-V365 HydrophobicContact CG2-CB 4.12Å; V337-V365 HydrophobicContact CG2-CG1 4.18Å; V337-V365 HydrophobicContact CG2-CG2 3.66Å; V337-F462 HydrophobicContact CG1-CE1 3.84Å; V337-F462 HydrophobicContact CG1-CZ 4.27Å; V337-V466 HydrophobicContact CB-CG1 4.39Å; V337-V466 HydrophobicContact CG1-CB 4.44Å; V337-V466 HydrophobicContact CG1-CG1 3.75Å |
| 338 | Q | 98.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 178.8 | -74.3 | -178.6 | -9.4 | 0 | 0 | 111.8 | Q334 E335 E340 I341 D342 V466 F469 T470 | Q334-Q338 HydrophobicContact CG-CG 4.32Å; Q334-Q338 WeakPolarHBondContact O-CB 3.05Å; Q334-Q338 VanDerWaalsContact O-CG 3.25Å; Q334-Q338 WeakPolarHBondContact O-CG 3.43Å; Q334-Q338 PolarHBondContact O-N 3.47Å; E335-Q338 PolarHBondContact O-N 2.95Å; Q338-E340 VanDerWaalsContact C-N 3.33Å; Q338-E340 PolarHBondContact O-N 3.39Å; Q338-I341 PolarHBondContact O-N 2.94Å; Q338-D342 WeakPolarHBondContact O-CB 3.36Å; Q338-D342 PolarHBondContact O-N 2.67Å; Q338-V466 HydrophobicContact CG-CG1 3.5Å; Q338-F469 PolarHBondContact NE2-O 3.4Å; Q338-T470 PolarHBondContact NE2-OG1 3.21Å |
| 339 | A | 98.4 | Very high | 96.4 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 50% | 0.496 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E335 V337 R343 | E335-A339 WeakPolarHBondContact O-CB 3.32Å; E335-A339 PolarHBondContact O-N 3.01Å; V337-A339 PolarHBondContact O-N 3.41Å; A339-R343 WeakPolarHBondContact O-CB 3.4Å; A339-R343 PolarHBondContact O-N 2.98Å; A339-R343 VanDerWaalsContact O-N 3.09Å |
| 340 | E | 98.5 | Very high | 96.2 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 175.1 | -171.2 | 178.1 | -119.3 | 0 | 0 | 112 | K336 V337 Q338 R343 V344 M359 P360 Y361 T362 | K336-E340 PolarHBondContact O-N 3.1Å; V337-E340 PolarHBondContact O-N 3.16Å; Q338-E340 VanDerWaalsContact C-N 3.33Å; Q338-E340 PolarHBondContact O-N 3.39Å; E340-R343 PolarHBondContact O-N 2.84Å; E340-R343 IonicContact OE1-NH2 2.73Å; E340-V344 HydrophobicContact CG-CG2 4.44Å; E340-V344 WeakPolarHBondContact O-CB 3.41Å; E340-V344 WeakPolarHBondContact O-CG2 3.25Å; E340-V344 PolarHBondContact O-N 3.12Å; E340-M359 VanDerWaalsContact CD-CA 3.44Å; E340-M359 HydrophobicContact CG-CB 4.27Å; E340-M359 HydrophobicContact CG-CG 4.22Å; E340-M359 WeakPolarHBondContact OE1-CA 3.03Å; E340-M359 WeakPolarHBondContact OE2-CA 3.49Å; E340-M359 WeakPolarHBondContact OE2-CB 3.29Å; E340-P360 VanDerWaalsContact OE1-CD 3.24Å; E340-P360 WeakPolarHBondContact OE1-CD 3.41Å; E340-Y361 WeakPolarHBondContact OE1-CB 3.32Å; E340-Y361 PolarHBondContact OE1-N 2.96Å; E340-Y361 PolarHBondContact OE2-N 2.9Å; E340-T362 VanDerWaalsContact OE2-CB 3.23Å; E340-T362 WeakPolarHBondContact OE2-CB 3.12Å; E340-T362 PolarHBondContact OE2-N 3.16Å; E340-T362 PolarHBondContact OE2-OG1 2.99Å |
| 341 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 174 | -71 | 166.7 | 0 | 0 | 0 | 110.3 | V337 Q338 R343 V344 I345 G346 M359 V466 Q467 | V337-I341 HydrophobicContact CG1-CD1 3.67Å; V337-I341 HydrophobicContact CG1-CG1 4.34Å; V337-I341 VanDerWaalsContact O-CG1 3.31Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 2.89Å; Q338-I341 PolarHBondContact O-N 2.94Å; I341-R343 VanDerWaalsContact C-N 3.28Å; I341-R343 PolarHBondContact O-N 3.1Å; I341-V344 PolarHBondContact O-N 3.08Å; I341-I345 PolarHBondContact O-N 3.32Å; I341-G346 PolarHBondContact O-N 3.35Å; I341-M359 HydrophobicContact CB-CE 4.32Å; I341-M359 HydrophobicContact CG1-CE 3.43Å; I341-M359 VanDerWaalsContact CG1-CE 3.43Å; I341-V466 HydrophobicContact CD1-CB 4.14Å; I341-V466 HydrophobicContact CD1-CG1 4.07Å; I341-Q467 HydrophobicContact CG2-CB 3.83Å; I341-Q467 HydrophobicContact CG2-CG 3.79Å |
| 342 | D | 97.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | -177.7 | -64.5 | -20 | 0 | 0 | 0 | 111.6 | Q338 G346 Q347 R501 | Q338-D342 WeakPolarHBondContact O-CB 3.36Å; Q338-D342 PolarHBondContact O-N 2.67Å; D342-G346 VanDerWaalsContact O-CA 3.3Å; D342-G346 WeakPolarHBondContact O-CA 3.27Å; D342-G346 PolarHBondContact O-N 2.94Å; D342-Q347 PolarHBondContact OD1-NE2 3.49Å; D342-R501 IonicContact OD1-CZ 3.57Å; D342-R501 IonicContact OD1-NH1 3.97Å; D342-R501 IonicContact OD1-NH2 3.61Å; D342-R501 PolarHBondContact OD1-NH2 3.43Å; D342-R501 IonicContact OD2-CZ 3.31Å; D342-R501 IonicContact OD2-NH2 2.74Å; D342-R501 PolarHBondContact OD2-NH2 2.93Å |
| 343 | R | 97.3 | Very high | 95.7 | Very high | 177 Ų | 177 | 51.3 Ų | 51.3 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 177.9 | -176.3 | -173.6 | 67.6 | -167.8 | -1.8 | 113 | A339 E340 I341 | A339-R343 WeakPolarHBondContact O-CB 3.4Å; A339-R343 PolarHBondContact O-N 2.98Å; A339-R343 VanDerWaalsContact O-N 3.09Å; E340-R343 PolarHBondContact O-N 2.84Å; E340-R343 IonicContact OE1-NH2 2.73Å; I341-R343 VanDerWaalsContact C-N 3.28Å; I341-R343 PolarHBondContact O-N 3.1Å |
| 344 | V | 97.5 | Very high | 95.4 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -94.3 | -43.2 | -169.7 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | E340 I341 A355 S358 M359 | E340-V344 HydrophobicContact CG-CG2 4.44Å; E340-V344 WeakPolarHBondContact O-CB 3.41Å; E340-V344 WeakPolarHBondContact O-CG2 3.25Å; E340-V344 PolarHBondContact O-N 3.12Å; I341-V344 PolarHBondContact O-N 3.08Å; V344-A355 HydrophobicContact CG1-CB 4.44Å; V344-S358 WeakPolarHBondContact CG2-O 3.34Å; V344-M359 HydrophobicContact CB-CG 3.94Å; V344-M359 HydrophobicContact CB-SD 4.38Å; V344-M359 HydrophobicContact CG1-CG 3.84Å; V344-M359 HydrophobicContact CG1-SD 4.23Å; V344-M359 HydrophobicContact CG2-CG 3.97Å |
| 345 | I | 96.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -36.2 | -175 | -56.8 | 171.2 | 0 | 0 | 0 | 110.3 | I341 Q349 P351 A355 M359 | I341-I345 PolarHBondContact O-N 3.32Å; I345-Q349 HydrophobicContact CG2-CB 3.9Å; I345-Q349 WeakPolarHBondContact CG2-O 3.46Å; I345-P351 HydrophobicContact CD1-CB 4.06Å; I345-P351 HydrophobicContact CD1-CG 4.32Å; I345-A355 HydrophobicContact CD1-CB 3.99Å; I345-A355 HydrophobicContact CG1-CB 3.98Å; I345-M359 HydrophobicContact CD1-CE 4.05Å; I345-M359 HydrophobicContact CD1-SD 3.5Å; I345-M359 WeakPolarHBondContact CD1-SD 3.44Å; I345-M359 HydrophobicContact CG1-SD 3.98Å |
| 346 | G | 94 | Very high | 95 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | trans | 72.3 | -167.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I341 D342 Q467 | I341-G346 PolarHBondContact O-N 3.35Å; D342-G346 VanDerWaalsContact O-CA 3.3Å; D342-G346 WeakPolarHBondContact O-CA 3.27Å; D342-G346 PolarHBondContact O-N 2.94Å; G346-Q467 PolarHBondContact O-NE2 2.74Å | ||
| 347 | Q | 90.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -95.7 | -20.4 | -175.4 | -72.6 | -64 | -28 | 0 | 0 | 114.3 | D342 Q467 K468 | D342-Q347 PolarHBondContact OD1-NE2 3.49Å; Q347-Q467 PolarHBondContact NE2-O 2.99Å; Q347-Q467 VanDerWaalsContact NE2-O 3.08Å; Q347-Q467 PolarHBondContact OE1-O 2.94Å; Q347-K468 PolarHBondContact O-NZ 3.48Å |
| 348 | G | 84 | Confident | 94.6 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 86% | 0.856 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -90.5 | -16.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 349 | Q | 90.4 | Very high | 94.6 | Very high | 134 Ų | 134 | 57.9 Ų | 57.9 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -103.2 | 142.4 | -178.1 | -65.9 | -174.9 | -17.8 | 0 | 0 | 111.3 | I345 Q467 | I345-Q349 HydrophobicContact CG2-CB 3.9Å; I345-Q349 WeakPolarHBondContact CG2-O 3.46Å; Q349-Q467 PolarHBondContact O-NE2 2.81Å |
| 350 | Q | 92.7 | Very high | 94.6 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 138.7 | 171.4 | -71.4 | -178.1 | -71.8 | 0 | 0 | 110.6 | Q160 | Q160-Q350 PolarHBondContact O-NE2 3.47Å; Q160-Q350 VanDerWaalsContact O-NE2 3.12Å |
| 351 | P | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 138.4 | 172.6 | -25.1 | 36 | 0 | 0 | 0 | 112.6 | Q160 I345 T463 S464 | Q160-P351 PolarHBondContact NE2-O 2.96Å; I345-P351 HydrophobicContact CD1-CB 4.06Å; I345-P351 HydrophobicContact CD1-CG 4.32Å; P351-T463 WeakPolarHBondContact CB-OG1 3.48Å; P351-T463 WeakPolarHBondContact CG-OG1 3.49Å; P351-S464 WeakPolarHBondContact CD-OG 3.44Å |
| 352 | S | 94.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | trans | -132.7 | 156.9 | 179.6 | 81.4 | 0 | 0 | 0 | 0 | 109.8 | E156 A354 A355 F459 | E156-S352 VanDerWaalsContact OE1-CB 3.31Å; E156-S352 WeakPolarHBondContact OE1-CB 3.46Å; S352-A354 PolarHBondContact O-N 2.95Å; S352-A354 VanDerWaalsContact O-N 3.17Å; S352-A355 PolarHBondContact O-N 3.27Å; S352-A355 VanDerWaalsContact O-N 3.11Å; S352-F459 VanDerWaalsContact O-CE1 3.24Å; S352-F459 WeakPolarHBondContact O-CE1 3.25Å | ||
| 353 | T | 92.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -67.6 | -19.4 | -178.4 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | E156 A355 R356 T456 I460 | E156-T353 PolarHBondContact OE1-N 2.8Å; E156-T353 VanDerWaalsContact OE2-CB 3.32Å; E156-T353 WeakPolarHBondContact OE2-CB 3.45Å; E156-T353 VanDerWaalsContact OE2-CG2 3.3Å; E156-T353 WeakPolarHBondContact OE2-CG2 3.46Å; E156-T353 PolarHBondContact OE2-N 3.37Å; E156-T353 PolarHBondContact OE2-OG1 3.48Å; T353-A355 PolarHBondContact O-N 3.07Å; T353-R356 WeakPolarHBondContact O-CB 3.37Å; T353-R356 PolarHBondContact O-N 3.3Å; T353-R356 VanDerWaalsContact O-N 3.12Å; T353-T456 HydrophobicContact CG2-CG2 3.63Å; T353-I460 HydrophobicContact CG2-CD1 4.12Å; T353-I460 HydrophobicContact CG2-CG1 4.37Å |
| 354 | A | 93.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 67% | 0.669 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -62.2 | -28.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S352 R356 | S352-A354 PolarHBondContact O-N 2.95Å; S352-A354 VanDerWaalsContact O-N 3.17Å; A354-R356 VanDerWaalsContact C-N 3.27Å; A354-R356 PolarHBondContact O-N 3.3Å |
| 355 | A | 93.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -73.6 | -18 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V344 I345 S352 T353 E357 S358 M359 | V344-A355 HydrophobicContact CG1-CB 4.44Å; I345-A355 HydrophobicContact CD1-CB 3.99Å; I345-A355 HydrophobicContact CG1-CB 3.98Å; S352-A355 PolarHBondContact O-N 3.27Å; S352-A355 VanDerWaalsContact O-N 3.11Å; T353-A355 PolarHBondContact O-N 3.07Å; A355-E357 VanDerWaalsContact C-N 3.32Å; A355-E357 PolarHBondContact O-N 3.45Å; A355-S358 PolarHBondContact O-N 2.91Å; A355-M359 HydrophobicContact CB-SD 3.91Å; A355-M359 WeakPolarHBondContact O-CG 3.38Å; A355-M359 PolarHBondContact O-N 3.42Å |
| 356 | R | 94.5 | Very high | 94.9 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -58.9 | -38.3 | -171.3 | -175.4 | 178.9 | 65.4 | -165.1 | -4.4 | 113.6 | T353 A354 S358 M359 N363 F459 | T353-R356 WeakPolarHBondContact O-CB 3.37Å; T353-R356 PolarHBondContact O-N 3.3Å; T353-R356 VanDerWaalsContact O-N 3.12Å; A354-R356 VanDerWaalsContact C-N 3.27Å; A354-R356 PolarHBondContact O-N 3.3Å; R356-S358 VanDerWaalsContact C-N 3.28Å; R356-S358 PolarHBondContact O-N 3.3Å; R356-M359 PolarHBondContact O-N 3.34Å; R356-N363 HydrophobicContact CG-CB 4.32Å; R356-F459 VanDerWaalsContact CA-CZ 3.46Å; R356-F459 HydrophobicContact CB-CD1 4.45Å; R356-F459 HydrophobicContact CB-CD2 4.04Å; R356-F459 HydrophobicContact CB-CE1 4.11Å; R356-F459 HydrophobicContact CB-CE2 3.67Å; R356-F459 HydrophobicContact CB-CG 4.42Å; R356-F459 HydrophobicContact CB-CZ 3.7Å; R356-F459 HydrophobicContact CG-CD2 3.75Å; R356-F459 HydrophobicContact CG-CE2 3.64Å; R356-F459 HydrophobicContact CG-CG 4.41Å; R356-F459 HydrophobicContact CG-CZ 4.22Å |
| 357 | E | 93.3 | Very high | 95.2 | Very high | 170 Ų | 170 | 42.7 Ų | 42.7 | 79% | 0.794 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -68.7 | -29.9 | 179.6 | -66.6 | -175.3 | 173.4 | 0 | 0 | 112.1 | A355 M359 | A355-E357 VanDerWaalsContact C-N 3.32Å; A355-E357 PolarHBondContact O-N 3.45Å; E357-M359 VanDerWaalsContact C-N 3.28Å; E357-M359 PolarHBondContact O-N 2.78Å |
| 358 | S | 97.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 40.6 Ų | 40.6 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -83.9 | -1.2 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | V344 A355 R356 P360 | V344-S358 WeakPolarHBondContact CG2-O 3.34Å; A355-S358 PolarHBondContact O-N 2.91Å; R356-S358 VanDerWaalsContact C-N 3.28Å; R356-S358 PolarHBondContact O-N 3.3Å; S358-P360 WeakPolarHBondContact O-CD 3.4Å |
| 359 | M | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -124.5 | 61.4 | -176.8 | -63.7 | 173.6 | 64.9 | 0 | 0 | 111.7 | E340 I341 V344 I345 A355 R356 E357 Y361 T362 N363 F459 T463 | E340-M359 VanDerWaalsContact CD-CA 3.44Å; E340-M359 HydrophobicContact CG-CB 4.27Å; E340-M359 HydrophobicContact CG-CG 4.22Å; E340-M359 WeakPolarHBondContact OE1-CA 3.03Å; E340-M359 WeakPolarHBondContact OE2-CA 3.49Å; E340-M359 WeakPolarHBondContact OE2-CB 3.29Å; I341-M359 HydrophobicContact CB-CE 4.32Å; I341-M359 HydrophobicContact CG1-CE 3.43Å; I341-M359 VanDerWaalsContact CG1-CE 3.43Å; V344-M359 HydrophobicContact CB-CG 3.94Å; V344-M359 HydrophobicContact CB-SD 4.38Å; V344-M359 HydrophobicContact CG1-CG 3.84Å; V344-M359 HydrophobicContact CG1-SD 4.23Å; V344-M359 HydrophobicContact CG2-CG 3.97Å; I345-M359 HydrophobicContact CD1-CE 4.05Å; I345-M359 HydrophobicContact CD1-SD 3.5Å; I345-M359 WeakPolarHBondContact CD1-SD 3.44Å; I345-M359 HydrophobicContact CG1-SD 3.98Å; A355-M359 HydrophobicContact CB-SD 3.91Å; A355-M359 WeakPolarHBondContact O-CG 3.38Å; A355-M359 PolarHBondContact O-N 3.42Å; R356-M359 PolarHBondContact O-N 3.34Å; E357-M359 VanDerWaalsContact C-N 3.28Å; E357-M359 PolarHBondContact O-N 2.78Å; M359-Y361 VanDerWaalsContact C-N 3.29Å; M359-Y361 PolarHBondContact O-N 2.89Å; M359-T362 HydrophobicContact CE-CG2 3.91Å; M359-T362 WeakPolarHBondContact CE-OG1 3.45Å; M359-T362 PolarHBondContact O-N 2.76Å; M359-N363 WeakPolarHBondContact O-CB 3.06Å; M359-N363 PolarHBondContact O-N 3.05Å; M359-F459 HydrophobicContact CE-CZ 4.38Å; M359-F459 HydrophobicContact SD-CZ 3.89Å; M359-T463 HydrophobicContact CE-CG2 4.02Å | ||
| 360 | P | 98.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 10% | 0.104 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -35.9 | -175.4 | 24.7 | -35.1 | 0 | 0 | 0 | 113.1 | E340 S358 A364 L427 G430 F432 | E340-P360 VanDerWaalsContact OE1-CD 3.24Å; E340-P360 WeakPolarHBondContact OE1-CD 3.41Å; S358-P360 WeakPolarHBondContact O-CD 3.4Å; P360-A364 VanDerWaalsContact O-CB 3.32Å; P360-A364 WeakPolarHBondContact O-CB 3.31Å; P360-A364 PolarHBondContact O-N 2.76Å; P360-L427 HydrophobicContact CB-CD2 4.24Å; P360-G430 WeakPolarHBondContact CG-O 3.12Å; P360-F432 HydrophobicContact CB-CB 4.01Å |
| 361 | Y | 98.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 27.2 Ų | 27.2 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.8 | -45.2 | -178.1 | -170.9 | -95.9 | 0 | 0 | 0 | 111.6 | I333 K336 V337 E340 M359 N363 A364 V365 P423 L427 | I333-Y361 HydrophobicContact CG2-CE1 4.22Å; K336-Y361 HydrophobicContact CB-CD1 3.88Å; K336-Y361 HydrophobicContact CB-CE1 3.32Å; K336-Y361 HydrophobicContact CD-CE1 4.07Å; K336-Y361 HydrophobicContact CD-CE2 4.07Å; K336-Y361 VanDerWaalsContact CD-OH 3.26Å; K336-Y361 WeakPolarHBondContact CD-OH 3.42Å; K336-Y361 HydrophobicContact CG-CE1 4.37Å; V337-Y361 HydrophobicContact CG2-CD1 3.96Å; V337-Y361 HydrophobicContact CG2-CE1 3.94Å; E340-Y361 WeakPolarHBondContact OE1-CB 3.32Å; E340-Y361 PolarHBondContact OE1-N 2.96Å; E340-Y361 PolarHBondContact OE2-N 2.9Å; M359-Y361 VanDerWaalsContact C-N 3.29Å; M359-Y361 PolarHBondContact O-N 2.89Å; Y361-N363 VanDerWaalsContact C-N 3.32Å; Y361-N363 PolarHBondContact O-N 3.09Å; Y361-A364 WeakPolarHBondContact O-CB 3.33Å; Y361-A364 PolarHBondContact O-N 3.29Å; Y361-V365 HydrophobicContact CD1-CG2 4.06Å; Y361-V365 HydrophobicContact CE1-CG2 3.75Å; Y361-V365 WeakPolarHBondContact O-CG2 3.48Å; Y361-V365 PolarHBondContact O-N 2.83Å; Y361-P423 HydrophobicContact CE2-CB 4.17Å; Y361-L427 HydrophobicContact CD2-CD1 3.67Å; Y361-L427 HydrophobicContact CE2-CD1 4.19Å |
| 362 | T | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.9 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | V337 E340 M359 A364 V365 I366 F459 F462 T463 | V337-T362 HydrophobicContact CG1-CG2 4.24Å; E340-T362 VanDerWaalsContact OE2-CB 3.23Å; E340-T362 WeakPolarHBondContact OE2-CB 3.12Å; E340-T362 PolarHBondContact OE2-N 3.16Å; E340-T362 PolarHBondContact OE2-OG1 2.99Å; M359-T362 HydrophobicContact CE-CG2 3.91Å; M359-T362 WeakPolarHBondContact CE-OG1 3.45Å; M359-T362 PolarHBondContact O-N 2.76Å; T362-A364 VanDerWaalsContact C-N 3.33Å; T362-A364 PolarHBondContact O-N 3.47Å; T362-V365 PolarHBondContact O-N 2.89Å; T362-I366 HydrophobicContact CG2-CD1 4.26Å; T362-I366 WeakPolarHBondContact O-CG1 3.15Å; T362-I366 PolarHBondContact O-N 2.93Å; T362-F459 HydrophobicContact CG2-CE2 4.27Å; T362-F462 HydrophobicContact CG2-CD1 4.13Å; T362-F462 HydrophobicContact CG2-CE1 4.01Å; T362-T463 HydrophobicContact CG2-CG2 3.68Å |
| 363 | N | 98.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 10% | 0.096 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.6 | -166.5 | 24.5 | 0 | 0 | 0 | 111.5 | R356 M359 Y361 I366 H367 F432 | R356-N363 HydrophobicContact CG-CB 4.32Å; M359-N363 WeakPolarHBondContact O-CB 3.06Å; M359-N363 PolarHBondContact O-N 3.05Å; Y361-N363 VanDerWaalsContact C-N 3.32Å; Y361-N363 PolarHBondContact O-N 3.09Å; N363-I366 PolarHBondContact O-N 2.77Å; N363-H367 PolarHBondContact O-N 3.49Å; N363-H367 VanDerWaalsContact O-N 3.1Å; N363-H367 PolarHBondContact O-ND1 3Å; N363-H367 PolarHBondContact OD1-CE1 2.63Å; N363-H367 PolarHBondContact OD1-ND1 3.1Å; N363-F432 HydrophobicContact CB-CD2 3.98Å; N363-F432 HydrophobicContact CB-CE2 4.39Å; N363-F432 HydrophobicContact CB-CG 4.39Å; N363-F432 WeakPolarHBondContact ND2-CD1 3.37Å; N363-F432 WeakPolarHBondContact ND2-CD2 3.38Å; N363-F432 VanDerWaalsContact ND2-CG 3.34Å; N363-F432 WeakPolarHBondContact ND2-CG 3.39Å |
| 364 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P360 Y361 T362 H367 E368 P423 F426 L427 F432 | P360-A364 VanDerWaalsContact O-CB 3.32Å; P360-A364 WeakPolarHBondContact O-CB 3.31Å; P360-A364 PolarHBondContact O-N 2.76Å; Y361-A364 WeakPolarHBondContact O-CB 3.33Å; Y361-A364 PolarHBondContact O-N 3.29Å; T362-A364 VanDerWaalsContact C-N 3.33Å; T362-A364 PolarHBondContact O-N 3.47Å; A364-H367 PolarHBondContact O-N 2.88Å; A364-E368 WeakPolarHBondContact O-CB 3.47Å; A364-E368 PolarHBondContact O-N 2.72Å; A364-P423 HydrophobicContact CB-CB 4.34Å; A364-F426 HydrophobicContact CB-CB 3.77Å; A364-L427 HydrophobicContact CB-CD1 4.25Å; A364-L427 HydrophobicContact CB-CD2 3.8Å; A364-L427 HydrophobicContact CB-CG 3.78Å; A364-F432 HydrophobicContact CB-CD2 4.27Å |
| 365 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 175.2 | 169 | 0 | 0 | 0 | 0 | 111.4 | M327 I333 V337 Y361 T362 H367 E368 V369 F421 P423 F462 | M327-V365 HydrophobicContact CE-CG1 3.62Å; M327-V365 HydrophobicContact SD-CG1 4.41Å; I333-V365 HydrophobicContact CG2-CG1 4.45Å; I333-V365 HydrophobicContact CG2-CG2 3.68Å; V337-V365 HydrophobicContact CG2-CB 4.12Å; V337-V365 HydrophobicContact CG2-CG1 4.18Å; V337-V365 HydrophobicContact CG2-CG2 3.66Å; Y361-V365 HydrophobicContact CD1-CG2 4.06Å; Y361-V365 HydrophobicContact CE1-CG2 3.75Å; Y361-V365 WeakPolarHBondContact O-CG2 3.48Å; Y361-V365 PolarHBondContact O-N 2.83Å; T362-V365 PolarHBondContact O-N 2.89Å; V365-H367 VanDerWaalsContact C-N 3.3Å; V365-H367 PolarHBondContact O-N 2.77Å; V365-E368 PolarHBondContact O-N 3.24Å; V365-E368 VanDerWaalsContact O-N 3.17Å; V365-V369 HydrophobicContact CG1-CG2 4.44Å; V365-V369 VanDerWaalsContact O-CG2 3.32Å; V365-V369 WeakPolarHBondContact O-CG2 3.42Å; V365-V369 PolarHBondContact O-N 3.08Å; V365-F421 HydrophobicContact CG1-CZ 4.28Å; V365-P423 HydrophobicContact CG2-CB 3.78Å; V365-P423 HydrophobicContact CG2-CG 3.52Å; V365-F462 HydrophobicContact CG1-CE1 4.19Å; V365-F462 HydrophobicContact CG1-CZ 3.72Å |
| 366 | I | 98.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 177.6 | -67.5 | 162.8 | 0 | 0 | 0 | 110.9 | T362 N363 V369 Q370 L458 F459 F462 | T362-I366 HydrophobicContact CG2-CD1 4.26Å; T362-I366 WeakPolarHBondContact O-CG1 3.15Å; T362-I366 PolarHBondContact O-N 2.93Å; N363-I366 PolarHBondContact O-N 2.77Å; I366-V369 PolarHBondContact O-N 2.97Å; I366-Q370 WeakPolarHBondContact O-CG 3.34Å; I366-Q370 PolarHBondContact O-N 3.44Å; I366-Q370 VanDerWaalsContact O-N 3.1Å; I366-L458 HydrophobicContact CG2-CB 4.17Å; I366-F459 HydrophobicContact CD1-CB 4.3Å; I366-F459 HydrophobicContact CD1-CD2 3.72Å; I366-F459 HydrophobicContact CD1-CG 4.43Å; I366-F462 HydrophobicContact CD1-CB 4.48Å; I366-F462 HydrophobicContact CD1-CD1 3.92Å; I366-F462 HydrophobicContact CD1-CG 4.47Å; I366-F462 HydrophobicContact CG1-CB 4.47Å; I366-F462 HydrophobicContact CG1-CD1 3.73Å; I366-F462 HydrophobicContact CG1-CE1 4.16Å; I366-F462 HydrophobicContact CG1-CG 4.14Å |
| 367 | H | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 177 | -76.4 | 68.6 | 0 | 0 | 0 | 111.8 | N363 A364 V365 Q370 R371 F426 F432 F438 R455 | N363-H367 PolarHBondContact O-N 3.49Å; N363-H367 VanDerWaalsContact O-N 3.1Å; N363-H367 PolarHBondContact O-ND1 3Å; N363-H367 PolarHBondContact OD1-CE1 2.63Å; N363-H367 PolarHBondContact OD1-ND1 3.1Å; A364-H367 PolarHBondContact O-N 2.88Å; V365-H367 VanDerWaalsContact C-N 3.3Å; V365-H367 PolarHBondContact O-N 2.77Å; H367-Q370 PolarHBondContact O-N 2.82Å; H367-R371 PolarHBondContact O-N 2.84Å; H367-F426 HydrophobicContact CB-CD1 3.83Å; H367-F426 HydrophobicContact CB-CD2 3.76Å; H367-F426 HydrophobicContact CB-CE1 3.84Å; H367-F426 HydrophobicContact CB-CE2 3.76Å; H367-F426 HydrophobicContact CB-CG 3.79Å; H367-F426 HydrophobicContact CB-CZ 3.8Å; H367-F432 HydrophobicContact CB-CE2 4.31Å; H367-F432 AromaticContact CD2-CZ 3.61Å; H367-F432 AromaticContact CE1-CE2 3.77Å; H367-F432 AromaticContact CE1-CZ 3.4Å; H367-F432 WeakPolarHBondContact CE1-CZ 3.37Å; H367-F432 AromaticContact CG-CE2 3.7Å; H367-F432 AromaticContact CG-CZ 3.78Å; H367-F432 AromaticContact ND1-CE2 3.51Å; H367-F432 AromaticContact ND1-CZ 3.63Å; H367-F432 AromaticContact NE2-CZ 3.42Å; H367-F432 WeakPolarHBondContact NE2-CZ 3.39Å; H367-F438 HydrophobicContact CB-CE1 4.43Å; H367-F438 HydrophobicContact CB-CE2 4.41Å; H367-F438 HydrophobicContact CB-CZ 4.02Å; H367-F438 AromaticContact CD2-CD1 3.69Å; H367-F438 AromaticContact CD2-CE1 3.15Å; H367-F438 WeakPolarHBondContact CD2-CE1 3.41Å; H367-F438 AromaticContact CD2-CZ 3.61Å; H367-F438 AromaticContact NE2-CE1 3.84Å; H367-F438 WeakPolarHBondContact O-CE2 3.27Å; H367-R455 PolarHBondContact NE2-NH1 3.03Å |
| 368 | E | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.8 | -35.7 | 176.6 | -172.1 | 67.6 | 174.6 | 0 | 0 | 112.3 | A364 V365 Q370 R371 M372 F421 N422 H425 F426 | A364-E368 WeakPolarHBondContact O-CB 3.47Å; A364-E368 PolarHBondContact O-N 2.72Å; V365-E368 PolarHBondContact O-N 3.24Å; V365-E368 VanDerWaalsContact O-N 3.17Å; E368-Q370 VanDerWaalsContact C-N 3.34Å; E368-Q370 PolarHBondContact O-N 2.81Å; E368-R371 PolarHBondContact O-N 3.19Å; E368-R371 IonicContact OE1-CZ 2.9Å; E368-R371 IonicContact OE1-NE 3.49Å; E368-R371 PolarHBondContact OE1-NE 2.9Å; E368-R371 IonicContact OE1-NH2 2.94Å; E368-R371 PolarHBondContact OE1-NH2 2.75Å; E368-R371 IonicContact OE2-CZ 3.9Å; E368-R371 IonicContact OE2-NE 3.24Å; E368-R371 PolarHBondContact OE2-NE 3.07Å; E368-R371 IonicContact OE2-NH2 3.83Å; E368-M372 HydrophobicContact CG-CG 4.38Å; E368-M372 WeakPolarHBondContact O-CB 3.48Å; E368-M372 PolarHBondContact O-N 3.37Å; E368-F421 HydrophobicContact CB-CD2 4.45Å; E368-F421 HydrophobicContact CB-CE2 4.01Å; E368-F421 HydrophobicContact CG-CD2 3.6Å; E368-F421 HydrophobicContact CG-CE2 3.65Å; E368-F421 HydrophobicContact CG-CG 4.26Å; E368-F421 HydrophobicContact CG-CZ 4.36Å; E368-N422 PolarHBondContact OE1-N 3.1Å; E368-H425 IonicContact OE1-CE1 3.71Å; E368-H425 IonicContact OE1-ND1 3.64Å; E368-H425 PolarHBondContact OE1-ND1 3.07Å; E368-H425 IonicContact OE2-ND1 2.87Å; E368-H425 PolarHBondContact OE2-ND1 2.69Å; E368-F426 HydrophobicContact CB-CD2 4.24Å; E368-F426 HydrophobicContact CB-CE2 4.23Å; E368-F426 VanDerWaalsContact OE2-CE2 3.32Å; E368-F426 WeakPolarHBondContact OE2-CE2 3.5Å |
| 369 | V | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 171.3 | 169 | 0 | 0 | 0 | 0 | 110.4 | T319 W322 A323 Y326 V365 I366 G373 F421 | T319-V369 HydrophobicContact CG2-CG1 4.09Å; T319-V369 WeakPolarHBondContact O-CG1 3.43Å; W322-V369 HydrophobicContact CB-CG1 4.08Å; A323-V369 HydrophobicContact CB-CG1 3.83Å; A323-V369 HydrophobicContact CB-CG2 4.06Å; Y326-V369 HydrophobicContact CD2-CG1 4.39Å; Y326-V369 HydrophobicContact CD2-CG2 4.12Å; V365-V369 HydrophobicContact CG1-CG2 4.44Å; V365-V369 VanDerWaalsContact O-CG2 3.32Å; V365-V369 WeakPolarHBondContact O-CG2 3.42Å; V365-V369 PolarHBondContact O-N 3.08Å; I366-V369 PolarHBondContact O-N 2.97Å; V369-G373 WeakPolarHBondContact O-CA 3.48Å; V369-G373 PolarHBondContact O-N 3.49Å; V369-F421 HydrophobicContact CB-CE2 4.48Å; V369-F421 HydrophobicContact CG2-CE2 3.77Å; V369-F421 HydrophobicContact CG2-CZ 3.88Å |
| 370 | Q | 98.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 13.3 Ų | 13.3 | 6% | 0.056 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.9 | -68.8 | -168.4 | -73.4 | 0 | 0 | 112.3 | T319 I366 H367 E368 N374 F438 P440 F441 L458 | T319-Q370 HydrophobicContact CG2-CG 3.79Å; I366-Q370 WeakPolarHBondContact O-CG 3.34Å; I366-Q370 PolarHBondContact O-N 3.44Å; I366-Q370 VanDerWaalsContact O-N 3.1Å; H367-Q370 PolarHBondContact O-N 2.82Å; E368-Q370 VanDerWaalsContact C-N 3.34Å; E368-Q370 PolarHBondContact O-N 2.81Å; Q370-N374 WeakPolarHBondContact O-CA 3.43Å; Q370-N374 PolarHBondContact O-N 3.48Å; Q370-F438 HydrophobicContact CB-CE2 3.86Å; Q370-F438 HydrophobicContact CB-CZ 3.69Å; Q370-F438 HydrophobicContact CG-CZ 4.43Å; Q370-P440 HydrophobicContact CB-CB 4.32Å; Q370-P440 HydrophobicContact CB-CG 4.47Å; Q370-F441 VanDerWaalsContact NE2-CE2 3.34Å; Q370-L458 HydrophobicContact CG-CD1 4.26Å |
| 371 | R | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 178.2 | -172.2 | -166 | 70.8 | 81.1 | -6 | 111.5 | H367 E368 H409 W415 P418 T420 F426 F438 | H367-R371 PolarHBondContact O-N 2.84Å; E368-R371 PolarHBondContact O-N 3.19Å; E368-R371 IonicContact OE1-CZ 2.9Å; E368-R371 IonicContact OE1-NE 3.49Å; E368-R371 PolarHBondContact OE1-NE 2.9Å; E368-R371 IonicContact OE1-NH2 2.94Å; E368-R371 PolarHBondContact OE1-NH2 2.75Å; E368-R371 IonicContact OE2-CZ 3.9Å; E368-R371 IonicContact OE2-NE 3.24Å; E368-R371 PolarHBondContact OE2-NE 3.07Å; E368-R371 IonicContact OE2-NH2 3.83Å; R371-H409 HydrophobicContact CG-CB 3.81Å; R371-H409 PolarHBondContact NH1-O 2.97Å; R371-W415 VanDerWaalsContact CD-CE3 3.46Å; R371-W415 VanDerWaalsContact CD-CZ3 3.46Å; R371-W415 HydrophobicContact CG-CH2 4.29Å; R371-W415 HydrophobicContact CG-CZ2 4.21Å; R371-P418 PolarHBondContact NH1-O 2.86Å; R371-P418 PolarHBondContact NH2-O 3.31Å; R371-T420 PolarHBondContact NH2-O 2.76Å; R371-T420 VanDerWaalsContact NH2-O 3.09Å; R371-F426 HydrophobicContact CB-CE2 4.4Å; R371-F426 HydrophobicContact CB-CZ 4.41Å; R371-F438 HydrophobicContact CB-CD2 4.28Å; R371-F438 HydrophobicContact CB-CE2 4.12Å |
| 372 | M | 96.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 12.3 Ų | 12.3 | 8% | 0.084 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -79.8 | -38.9 | -175.5 | -77.1 | -66.9 | -72.9 | 0 | 0 | 112.8 | Y326 E368 N374 R410 D419 F421 | Y326-M372 HydrophobicContact CE2-CB 4.07Å; Y326-M372 WeakPolarHBondContact OH-CB 3.26Å; E368-M372 HydrophobicContact CG-CG 4.38Å; E368-M372 WeakPolarHBondContact O-CB 3.48Å; E368-M372 PolarHBondContact O-N 3.37Å; M372-N374 VanDerWaalsContact C-N 3.33Å; M372-R410 VanDerWaalsContact SD-CZ 3.52Å; M372-R410 PolarHBondContact SD-NH2 2.88Å; M372-D419 WeakPolarHBondContact CE-O 3.21Å; M372-F421 HydrophobicContact CB-CD2 4.14Å; M372-F421 HydrophobicContact CE-CB 4.38Å; M372-F421 HydrophobicContact CG-CB 4.46Å; M372-F421 HydrophobicContact CG-CD2 3.99Å |
| 373 | G | 96.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.2 | -32 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V369 I375 | V369-G373 WeakPolarHBondContact O-CA 3.48Å; V369-G373 PolarHBondContact O-N 3.49Å; G373-I375 VanDerWaalsContact C-N 3.27Å; G373-I375 PolarHBondContact O-N 2.89Å; G373-I375 VanDerWaalsContact O-N 3.1Å |
| 374 | N | 96.4 | Very high | 97 | Very high | 12 Ų | 12 | 13.3 Ų | 13.3 | 6% | 0.064 | 7% | 0.071 | C | C | . | . | trans | 39.1 | 53.8 | 173.1 | -174 | 30.3 | 0 | 0 | 0 | 113.3 | Q370 M372 I376 T406 | Q370-N374 WeakPolarHBondContact O-CA 3.43Å; Q370-N374 PolarHBondContact O-N 3.48Å; M372-N374 VanDerWaalsContact C-N 3.33Å; N374-I376 PolarHBondContact O-N 3.4Å; N374-I376 VanDerWaalsContact O-N 3.09Å; N374-T406 VanDerWaalsContact ND2-CA 3.29Å; N374-T406 WeakPolarHBondContact ND2-CA 3.33Å; N374-T406 PolarHBondContact ND2-OG1 3.05Å | ||
| 375 | I | 97.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 14.7 Ų | 14.7 | 12% | 0.123 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -63.5 | -24 | -161.5 | 59.8 | 157.1 | 0 | 0 | 0 | 114.2 | T315 T318 T319 G373 T488 I489 | T315-I375 HydrophobicContact CG2-CD1 4.24Å; T315-I375 VanDerWaalsContact O-CD1 3.28Å; T315-I375 WeakPolarHBondContact O-CD1 3.46Å; T318-I375 HydrophobicContact CG2-CB 4.39Å; T318-I375 HydrophobicContact CG2-CG2 3.75Å; T319-I375 WeakPolarHBondContact OG1-CD1 3.44Å; G373-I375 VanDerWaalsContact C-N 3.27Å; G373-I375 PolarHBondContact O-N 2.89Å; G373-I375 VanDerWaalsContact O-N 3.1Å; I375-T488 CarbonylContact O-C 3.57Å; I375-T488 WeakPolarHBondContact O-CA 3.4Å; I375-I489 PolarHBondContact O-N 3.16Å |
| 376 | I | 96.2 | Very high | 96.8 | Very high | 30 Ų | 30 | 17.9 Ų | 17.9 | 15% | 0.154 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -122.1 | 77.7 | 174.4 | -54.5 | -68.2 | 0 | 0 | 0 | 108.2 | N374 L378 N379 I487 T488 | N374-I376 PolarHBondContact O-N 3.4Å; N374-I376 VanDerWaalsContact O-N 3.09Å; I376-L378 VanDerWaalsContact C-N 3.28Å; I376-L378 PolarHBondContact O-N 2.92Å; I376-N379 PolarHBondContact O-N 3.49Å; I376-N379 VanDerWaalsContact O-N 3.17Å; I376-I487 HydrophobicContact CD1-CG2 4.37Å; I376-I487 WeakPolarHBondContact CD1-O 3.28Å; I376-T488 HydrophobicContact CD1-CG2 3.57Å |
| 377 | P | 94.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 5% | 0.045 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.2 | -163.8 | 29 | -41.7 | 0 | 0 | 0 | 115 | H65 L405 T406 M485 I489 | H65-P377 HydrophobicContact CB-CB 3.53Å; H65-P377 HydrophobicContact CB-CG 3.84Å; P377-L405 WeakPolarHBondContact O-CB 3.38Å; P377-L405 PolarHBondContact O-N 3.1Å; P377-T406 VanDerWaalsContact CB-OG1 3.22Å; P377-T406 WeakPolarHBondContact CB-OG1 3.49Å; P377-T406 PolarHBondContact O-N 3.09Å; P377-M485 HydrophobicContact CG-CE 4.44Å; P377-I489 HydrophobicContact CB-CD1 3.77Å; P377-I489 HydrophobicContact CG-CD1 3.51Å; P377-I489 HydrophobicContact CG-CG1 3.96Å |
| 378 | L | 94.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 22.6 Ų | 22.6 | 16% | 0.157 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 10.6 | -178.5 | -59.8 | -177 | 0 | 0 | 0 | 113.3 | I68 L90 I376 T403 | I68-L378 HydrophobicContact CD1-CD1 3.68Å; I68-L378 HydrophobicContact CD1-CD2 3.41Å; I68-L378 VanDerWaalsContact CD1-CD2 3.41Å; I68-L378 HydrophobicContact CD1-CG 4.19Å; L90-L378 HydrophobicContact CD1-CD2 4.07Å; I376-L378 VanDerWaalsContact C-N 3.28Å; I376-L378 PolarHBondContact O-N 2.92Å; L378-T403 CarbonylContact C-O 3.59Å; L378-T403 WeakPolarHBondContact CA-O 3.43Å; L378-T403 PolarHBondContact O-N 3.31Å; L378-T403 VanDerWaalsContact O-N 3.12Å; L378-T403 VanDerWaalsContact O-O 3.07Å |
| 379 | N | 94.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | trans | 57.5 | 176.8 | -171 | -150.8 | -30.1 | 0 | 0 | 0 | 111.5 | I376 L405 S442 | I376-N379 PolarHBondContact O-N 3.49Å; I376-N379 VanDerWaalsContact O-N 3.17Å; N379-L405 HydrophobicContact CB-CD1 4.01Å; N379-L405 HydrophobicContact CB-CG 4.28Å; N379-S442 WeakPolarHBondContact ND2-CB 3.45Å; N379-S442 PolarHBondContact ND2-OG 3.47Å; N379-S442 VanDerWaalsContact OD1-CB 3.29Å; N379-S442 WeakPolarHBondContact OD1-CB 3.46Å; N379-S442 PolarHBondContact OD1-OG 2.81Å; N379-S442 VanDerWaalsContact OD1-OG 3.04Å | ||
| 380 | V | 95.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 26.1 Ų | 26.1 | 28% | 0.279 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -80.9 | 128 | 169.8 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | R111 I127 M128 | R111-V380 VanDerWaalsContact NH1-C 3.29Å; R111-V380 VanDerWaalsContact NH1-CG1 3.32Å; R111-V380 PolarHBondContact NH1-O 2.87Å; I127-V380 HydrophobicContact CG2-CG1 4.4Å; M128-V380 HydrophobicContact SD-CG1 4.25Å |
| 381 | P | 95.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 13% | 0.13 | 16% | 0.163 | C | C | . | . | trans | -56 | 143 | -173.1 | -26 | 32.4 | 0 | 0 | 0 | 114.1 | R111 P112 M400 I401 L402 | R111-P381 WeakPolarHBondContact CD-O 3.28Å; R111-P381 PolarHBondContact NH1-O 2.97Å; P112-P381 HydrophobicContact CG-CB 3.66Å; P381-M400 HydrophobicContact CB-CG 3.99Å; P381-M400 HydrophobicContact CB-SD 4.09Å; P381-M400 HydrophobicContact CG-SD 4.44Å; P381-I401 WeakPolarHBondContact CA-O 3.41Å; P381-L402 HydrophobicContact CB-CD2 3.73Å; P381-L402 HydrophobicContact CG-CD2 3.57Å | ||
| 382 | R | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 169 | 167.7 | -61.2 | -59.7 | -171.9 | 90 | 14 | 110.6 | L101 F108 N110 M400 I401 I443 R446 | L101-R382 HydrophobicContact CD2-CG 3.89Å; F108-R382 HydrophobicContact CB-CB 4.39Å; F108-R382 WeakPolarHBondContact O-CD 3.46Å; F108-R382 PolarHBondContact O-NH1 2.91Å; N110-R382 CarbonylContact O-C 3.47Å; N110-R382 WeakPolarHBondContact O-CA 3.41Å; R382-M400 CarbonylContact O-C 3.55Å; R382-M400 WeakPolarHBondContact O-CA 3.43Å; R382-I401 HydrophobicContact CB-CB 4.21Å; R382-I401 PolarHBondContact N-O 2.73Å; R382-I401 PolarHBondContact O-N 3.29Å; R382-I443 PolarHBondContact NH2-O 2.98Å; R382-R446 VanDerWaalsContact CZ-CB 3.43Å; R382-R446 VanDerWaalsContact NH2-CB 3.3Å |
| 383 | E | 96.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.3 | 175.4 | -177 | -169.6 | 78.8 | 0 | 0 | 109.9 | N110 P112 T385 T399 | N110-E383 HydrophobicContact CB-CB 3.92Å; N110-E383 PolarHBondContact O-N 3.16Å; P112-E383 WeakPolarHBondContact CA-OE2 3.33Å; P112-E383 HydrophobicContact CB-CB 4.36Å; E383-T385 PolarHBondContact O-N 2.62Å; E383-T399 WeakPolarHBondContact CA-O 3.23Å |
| 384 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -64.7 | 117.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N107 F108 V386 G398 T399 | N107-A384 CarbonylContact O-C 3.53Å; N107-A384 VanDerWaalsContact O-CA 3.27Å; N107-A384 WeakPolarHBondContact O-CA 3.29Å; F108-A384 HydrophobicContact CD1-CB 4.19Å; F108-A384 HydrophobicContact CE1-CB 3.99Å; A384-V386 VanDerWaalsContact C-N 3.35Å; A384-G398 PolarHBondContact O-N 3.13Å; A384-T399 PolarHBondContact N-O 3.38Å | ||
| 385 | T | 96 | Very high | 96 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -78.5 | -23.9 | -177.8 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | Q106 N107 N110 E383 K397 | Q106-T385 PolarHBondContact O-OG1 3.44Å; N107-T385 WeakPolarHBondContact CA-OG1 3.5Å; N107-T385 PolarHBondContact O-N 2.73Å; N107-T385 PolarHBondContact O-OG1 3.34Å; N110-T385 HydrophobicContact CB-CG2 3.79Å; N110-T385 VanDerWaalsContact CG-CG2 3.42Å; E383-T385 PolarHBondContact O-N 2.62Å; T385-K397 WeakPolarHBondContact O-CD 3.49Å; T385-K397 WeakPolarHBondContact O-CE 3.3Å; T385-K397 WeakPolarHBondContact O-CG 3.31Å |
| 386 | V | 96.6 | Very high | 95.9 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -143.3 | 161.3 | -178.7 | -63.3 | 0 | 0 | 0 | 0 | 109.3 | N107 A384 T388 | N107-V386 HydrophobicContact CB-CG2 4.37Å; A384-V386 VanDerWaalsContact C-N 3.35Å; V386-T388 PolarHBondContact O-N 2.96Å |
| 387 | D | 96.9 | Very high | 95.9 | Very high | 103 Ų | 103 | 40.8 Ų | 40.8 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | trans | -58.4 | 128.8 | 166.5 | -73.1 | 6.1 | 0 | 0 | 0 | 109.2 | L395 P396 K397 | D387-L395 WeakPolarHBondContact CA-O 3.1Å; D387-P396 WeakPolarHBondContact OD1-CA 3.49Å; D387-K397 WeakPolarHBondContact OD1-CB 3.47Å; D387-K397 PolarHBondContact OD1-N 3.49Å | ||
| 388 | T | 96.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 177.3 | -173.3 | -159.3 | 0 | 0 | 0 | 0 | 112.3 | M104 N107 F108 V386 H394 L395 | M104-T388 HydrophobicContact CE-CG2 4.22Å; M104-T388 WeakPolarHBondContact CE-OG1 3.35Å; N107-T388 PolarHBondContact ND2-OG1 3.36Å; F108-T388 HydrophobicContact CE1-CG2 3.99Å; F108-T388 HydrophobicContact CE2-CG2 4.37Å; F108-T388 HydrophobicContact CZ-CG2 3.58Å; V386-T388 PolarHBondContact O-N 2.96Å; T388-H394 PolarHBondContact O-ND1 3.5Å; T388-L395 HydrophobicContact CG2-CB 4.01Å; T388-L395 HydrophobicContact CG2-CD1 4.44Å; T388-L395 PolarHBondContact N-O 3.29Å; T388-L395 PolarHBondContact O-N 3.49Å |
| 389 | T | 96.6 | Very high | 96 | Very high | 76 Ų | 76 | 41 Ų | 41 | 47% | 0.466 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.3 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | M104 Y393 | M104-T389 VanDerWaalsContact CE-O 3.29Å; M104-T389 WeakPolarHBondContact CE-O 3.26Å; T389-Y393 CarbonylContact C-O 3.4Å; T389-Y393 WeakPolarHBondContact CA-O 3.34Å; T389-Y393 WeakPolarHBondContact CG2-O 3.3Å |
| 390 | L | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.6 | 177.9 | 180 | 65.6 | 0 | 0 | 0 | 109 | L78 I91 E99 A100 M104 F108 G392 Y393 L395 | L78-L390 HydrophobicContact CD1-CB 4.48Å; L78-L390 HydrophobicContact CD1-CD2 3.98Å; L78-L390 HydrophobicContact CD1-CG 3.94Å; I91-L390 HydrophobicContact CG2-CD2 3.86Å; E99-L390 HydrophobicContact CB-CD1 4.34Å; E99-L390 HydrophobicContact CG-CD1 3.88Å; A100-L390 HydrophobicContact CB-CD1 4.29Å; A100-L390 HydrophobicContact CB-CD2 4.18Å; M104-L390 HydrophobicContact SD-CD1 3.89Å; F108-L390 HydrophobicContact CZ-CB 4.48Å; F108-L390 HydrophobicContact CZ-CD2 4.33Å; L390-G392 PolarHBondContact O-N 2.87Å; L390-G392 VanDerWaalsContact O-N 3.15Å; L390-Y393 PolarHBondContact N-O 2.88Å; L390-Y393 PolarHBondContact O-N 2.85Å; L390-L395 HydrophobicContact CB-CD1 3.75Å; L390-L395 HydrophobicContact CD2-CD1 4.15Å |
| 391 | A | 94.2 | Very high | 96.2 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 39.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L78 L96 Y393 | L78-A391 HydrophobicContact CD1-CB 3.86Å; L96-A391 HydrophobicContact CD2-CB 3.63Å; A391-Y393 VanDerWaalsContact C-N 3.28Å; A391-Y393 PolarHBondContact O-N 3.4Å |
| 392 | G | 93.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -5.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N42 L390 | N42-G392 PolarHBondContact ND2-O 2.87Å; L390-G392 PolarHBondContact O-N 2.87Å; L390-G392 VanDerWaalsContact O-N 3.15Å |
| 393 | Y | 96.9 | Very high | 96.2 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 29% | 0.286 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.4 | 176.1 | -66.3 | -77.2 | 0 | 0 | 0 | 112.1 | N42 P44 L78 T389 L390 A391 | N42-Y393 CarbonylContact O-C 3.44Å; N42-Y393 WeakPolarHBondContact O-CA 3.32Å; P44-Y393 HydrophobicContact CB-CG 4.47Å; P44-Y393 HydrophobicContact CG-CD1 4.43Å; P44-Y393 HydrophobicContact CG-CG 4.05Å; L78-Y393 HydrophobicContact CD1-CD2 4.29Å; L78-Y393 HydrophobicContact CD2-CD2 3.97Å; L78-Y393 HydrophobicContact CD2-CG 4.45Å; T389-Y393 CarbonylContact C-O 3.4Å; T389-Y393 WeakPolarHBondContact CA-O 3.34Å; T389-Y393 WeakPolarHBondContact CG2-O 3.3Å; L390-Y393 PolarHBondContact N-O 2.88Å; L390-Y393 PolarHBondContact O-N 2.85Å; A391-Y393 VanDerWaalsContact C-N 3.28Å; A391-Y393 PolarHBondContact O-N 3.4Å |
| 394 | H | 96.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.5 | 175.4 | 179.7 | 63.2 | 0 | 0 | 0 | 111.1 | N42 Y43 T388 | N42-H394 PolarHBondContact O-N 2.84Å; Y43-H394 VanDerWaalsContact CD2-O 3.25Å; Y43-H394 WeakPolarHBondContact CD2-O 3.37Å; T388-H394 PolarHBondContact O-ND1 3.5Å |
| 395 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 112.7 | 178.3 | -59.4 | -179 | 0 | 0 | 0 | 109.3 | Y43 P44 V89 F108 D387 T388 L390 T399 I401 | Y43-L395 HydrophobicContact CD2-CD2 4.45Å; Y43-L395 HydrophobicContact CE2-CD2 4Å; P44-L395 HydrophobicContact CG-CD2 3.67Å; V89-L395 HydrophobicContact CB-CD2 4.5Å; V89-L395 HydrophobicContact CG1-CD2 4.48Å; V89-L395 HydrophobicContact CG2-CD2 3.82Å; F108-L395 HydrophobicContact CE1-CD1 4.05Å; F108-L395 HydrophobicContact CZ-CD1 3.9Å; D387-L395 WeakPolarHBondContact CA-O 3.1Å; T388-L395 HydrophobicContact CG2-CB 4.01Å; T388-L395 HydrophobicContact CG2-CD1 4.44Å; T388-L395 PolarHBondContact N-O 3.29Å; T388-L395 PolarHBondContact O-N 3.49Å; L390-L395 HydrophobicContact CB-CD1 3.75Å; L390-L395 HydrophobicContact CD2-CD1 4.15Å; L395-T399 HydrophobicContact CD2-CG2 4.39Å; L395-I401 HydrophobicContact CD1-CD1 3.96Å |
| 396 | P | 95.7 | Very high | 96 | Very high | 33 Ų | 33 | 36.6 Ų | 36.6 | 21% | 0.214 | 22% | 0.217 | C | C | . | . | trans | -64.1 | 153.5 | 173.8 | -21.3 | 32.9 | 0 | 0 | 0 | 112.2 | P40 D387 G398 T399 | P40-P396 HydrophobicContact CG-CG 3.79Å; D387-P396 WeakPolarHBondContact OD1-CA 3.49Å; P396-G398 PolarHBondContact O-N 3.46Å; P396-T399 VanDerWaalsContact O-CB 3.27Å; P396-T399 WeakPolarHBondContact O-CB 3.11Å; P396-T399 PolarHBondContact O-N 3.06Å; P396-T399 VanDerWaalsContact O-N 3.12Å; P396-T399 PolarHBondContact O-OG1 3.15Å | ||
| 397 | K | 95.9 | Very high | 95.9 | Very high | 144 Ų | 144 | 34 Ų | 34 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 138.8 | 167.9 | 177.4 | 178.4 | 177.7 | -175.5 | 0 | 110.7 | T385 D387 T399 | T385-K397 WeakPolarHBondContact O-CD 3.49Å; T385-K397 WeakPolarHBondContact O-CE 3.3Å; T385-K397 WeakPolarHBondContact O-CG 3.31Å; D387-K397 WeakPolarHBondContact OD1-CB 3.47Å; D387-K397 PolarHBondContact OD1-N 3.49Å; K397-T399 VanDerWaalsContact C-N 3.3Å |
| 398 | G | 95.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 38% | 0.381 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -5.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | A384 P396 M400 | A384-G398 PolarHBondContact O-N 3.13Å; P396-G398 PolarHBondContact O-N 3.46Å; G398-M400 PolarHBondContact O-N 3.09Å |
| 399 | T | 96.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | -62.3 | 123.7 | 173.9 | -60.1 | 0 | 0 | 0 | 0 | 110 | Y43 V89 E383 A384 L395 P396 K397 I401 | Y43-T399 WeakPolarHBondContact OH-CG2 3.28Å; V89-T399 HydrophobicContact CB-CG2 4.22Å; V89-T399 HydrophobicContact CG2-CG2 3.76Å; E383-T399 WeakPolarHBondContact CA-O 3.23Å; A384-T399 PolarHBondContact N-O 3.38Å; L395-T399 HydrophobicContact CD2-CG2 4.39Å; P396-T399 VanDerWaalsContact O-CB 3.27Å; P396-T399 WeakPolarHBondContact O-CB 3.11Å; P396-T399 PolarHBondContact O-N 3.06Å; P396-T399 VanDerWaalsContact O-N 3.12Å; P396-T399 PolarHBondContact O-OG1 3.15Å; K397-T399 VanDerWaalsContact C-N 3.3Å; T399-I401 HydrophobicContact CG2-CD1 4.18Å | ||
| 400 | M | 97 | Very high | 95.6 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 135.9 | 174.1 | 178.5 | -175.1 | -60.2 | 0 | 0 | 109.8 | I86 S87 A88 V89 P112 T114 P381 R382 G398 L402 | I86-M400 HydrophobicContact CG2-CE 3.5Å; I86-M400 HydrophobicContact CG2-SD 4.38Å; S87-M400 PolarHBondContact O-N 3.07Å; A88-M400 CarbonylContact C-O 3.56Å; A88-M400 WeakPolarHBondContact CA-O 3.44Å; A88-M400 HydrophobicContact CB-CB 4.16Å; A88-M400 HydrophobicContact CB-CG 4.39Å; A88-M400 HydrophobicContact CB-SD 4.25Å; V89-M400 PolarHBondContact N-O 3.32Å; P112-M400 HydrophobicContact CB-CB 4.44Å; P112-M400 HydrophobicContact CB-CE 3.6Å; P112-M400 HydrophobicContact CB-CG 4.32Å; P112-M400 HydrophobicContact CG-CE 3.58Å; P112-M400 HydrophobicContact CG-CG 4Å; P112-M400 HydrophobicContact CG-SD 4.29Å; T114-M400 HydrophobicContact CG2-CE 4.33Å; P381-M400 HydrophobicContact CB-CG 3.99Å; P381-M400 HydrophobicContact CB-SD 4.09Å; P381-M400 HydrophobicContact CG-SD 4.44Å; R382-M400 CarbonylContact O-C 3.55Å; R382-M400 WeakPolarHBondContact O-CA 3.43Å; G398-M400 PolarHBondContact O-N 3.09Å; M400-L402 HydrophobicContact CG-CD2 4.27Å; M400-L402 HydrophobicContact CG-CG 4.44Å; M400-L402 HydrophobicContact SD-CD2 3.96Å; M400-L402 HydrophobicContact SD-CG 4.31Å |
| 401 | I | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.6 | 175.2 | -51.4 | -61.4 | 0 | 0 | 0 | 109.3 | V89 I91 F108 P381 R382 L395 T399 | V89-I401 HydrophobicContact CB-CD1 3.99Å; V89-I401 HydrophobicContact CG1-CD1 4.4Å; V89-I401 CarbonylContact O-C 3.5Å; V89-I401 WeakPolarHBondContact O-CA 3.34Å; I91-I401 HydrophobicContact CD1-CG2 3.97Å; I91-I401 HydrophobicContact CG1-CG2 4.18Å; I91-I401 HydrophobicContact CG2-CG2 4.33Å; F108-I401 HydrophobicContact CD1-CD1 4.24Å; F108-I401 HydrophobicContact CD1-CG1 3.51Å; F108-I401 HydrophobicContact CE1-CD1 3.81Å; F108-I401 HydrophobicContact CE1-CG1 3.61Å; F108-I401 HydrophobicContact CG-CG1 4.45Å; P381-I401 WeakPolarHBondContact CA-O 3.41Å; R382-I401 HydrophobicContact CB-CB 4.21Å; R382-I401 PolarHBondContact N-O 2.73Å; R382-I401 PolarHBondContact O-N 3.29Å; L395-I401 HydrophobicContact CD1-CD1 3.96Å; T399-I401 HydrophobicContact CG2-CD1 4.18Å |
| 402 | L | 96.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142 | 174.4 | -61.4 | 179.1 | 0 | 0 | 0 | 109.1 | A88 V89 L90 I91 P381 M400 | A88-L402 HydrophobicContact CB-CD1 4.37Å; V89-L402 PolarHBondContact O-N 3.49Å; L90-L402 WeakPolarHBondContact CA-O 3.33Å; L90-L402 HydrophobicContact CD1-CB 3.58Å; I91-L402 WeakPolarHBondContact CG1-O 3.41Å; I91-L402 PolarHBondContact N-O 2.92Å; P381-L402 HydrophobicContact CB-CD2 3.73Å; P381-L402 HydrophobicContact CG-CD2 3.57Å; M400-L402 HydrophobicContact CG-CD2 4.27Å; M400-L402 HydrophobicContact CG-CG 4.44Å; M400-L402 HydrophobicContact SD-CD2 3.96Å; M400-L402 HydrophobicContact SD-CG 4.31Å |
| 403 | T | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.4 | -178 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | I97 L378 L405 | I97-T403 HydrophobicContact CB-CG2 4.45Å; I97-T403 HydrophobicContact CD1-CG2 3.44Å; I97-T403 VanDerWaalsContact CD1-CG2 3.44Å; I97-T403 HydrophobicContact CG1-CG2 3.59Å; I97-T403 HydrophobicContact CG2-CG2 4Å; L378-T403 CarbonylContact C-O 3.59Å; L378-T403 WeakPolarHBondContact CA-O 3.43Å; L378-T403 PolarHBondContact O-N 3.31Å; L378-T403 VanDerWaalsContact O-N 3.12Å; L378-T403 VanDerWaalsContact O-O 3.07Å; T403-L405 HydrophobicContact CG2-CD2 3.78Å; T403-L405 HydrophobicContact CG2-CG 4.26Å; T403-L405 PolarHBondContact O-N 3.49Å |
| 404 | N | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -77.6 | 83.3 | -178.7 | -170.9 | -0.1 | 0 | 0 | 0 | 111.9 | I68 L90 I91 T92 T406 A407 L408 | I68-N404 WeakPolarHBondContact CG2-ND2 3.43Å; L90-N404 HydrophobicContact CD1-CB 4.15Å; L90-N404 HydrophobicContact CD2-CB 3.98Å; L90-N404 HydrophobicContact CG-CB 4.17Å; I91-N404 PolarHBondContact O-N 2.76Å; T92-N404 HydrophobicContact CG2-CB 4.32Å; T92-N404 VanDerWaalsContact OG1-CB 3.29Å; T92-N404 WeakPolarHBondContact OG1-CB 3.09Å; T92-N404 PolarHBondContact OG1-ND2 2.71Å; N404-T406 VanDerWaalsContact C-N 3.29Å; N404-T406 PolarHBondContact OD1-N 3.39Å; N404-A407 HydrophobicContact CB-CB 4.35Å; N404-A407 WeakPolarHBondContact ND2-CB 3.03Å; N404-A407 PolarHBondContact OD1-N 3.36Å; N404-L408 PolarHBondContact O-N 2.93Å | ||
| 405 | L | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.9 | -28.2 | 176.3 | -62.1 | -177.1 | 0 | 0 | 0 | 111.9 | P377 N379 T403 A407 L408 H409 L439 | P377-L405 WeakPolarHBondContact O-CB 3.38Å; P377-L405 PolarHBondContact O-N 3.1Å; N379-L405 HydrophobicContact CB-CD1 4.01Å; N379-L405 HydrophobicContact CB-CG 4.28Å; T403-L405 HydrophobicContact CG2-CD2 3.78Å; T403-L405 HydrophobicContact CG2-CG 4.26Å; T403-L405 PolarHBondContact O-N 3.49Å; L405-A407 PolarHBondContact O-N 2.84Å; L405-L408 HydrophobicContact CD2-CD2 4.24Å; L405-L408 PolarHBondContact O-N 3.13Å; L405-H409 WeakPolarHBondContact O-CB 3.37Å; L405-H409 PolarHBondContact O-N 3.44Å; L405-L439 HydrophobicContact CD2-CB 4.09Å |
| 406 | T | 94.5 | Very high | 95.2 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.9 | -50.4 | 174.1 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | N374 P377 N404 L408 H409 R410 | N374-T406 VanDerWaalsContact ND2-CA 3.29Å; N374-T406 WeakPolarHBondContact ND2-CA 3.33Å; N374-T406 PolarHBondContact ND2-OG1 3.05Å; P377-T406 VanDerWaalsContact CB-OG1 3.22Å; P377-T406 WeakPolarHBondContact CB-OG1 3.49Å; P377-T406 PolarHBondContact O-N 3.09Å; N404-T406 VanDerWaalsContact C-N 3.29Å; N404-T406 PolarHBondContact OD1-N 3.39Å; T406-L408 VanDerWaalsContact C-N 3.34Å; T406-L408 PolarHBondContact O-N 2.97Å; T406-H409 PolarHBondContact O-N 3.3Å; T406-R410 VanDerWaalsContact O-CB 3.31Å; T406-R410 WeakPolarHBondContact O-CB 3.35Å; T406-R410 VanDerWaalsContact O-CG 3.27Å; T406-R410 WeakPolarHBondContact O-CG 3.14Å; T406-R410 PolarHBondContact O-N 2.8Å |
| 407 | A | 93.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q69 T92 N404 L405 R410 D411 | Q69-A407 VanDerWaalsContact NE2-CA 3.3Å; Q69-A407 VanDerWaalsContact NE2-CB 3.34Å; T92-A407 HydrophobicContact CG2-CB 3.37Å; N404-A407 HydrophobicContact CB-CB 4.35Å; N404-A407 WeakPolarHBondContact ND2-CB 3.03Å; N404-A407 PolarHBondContact OD1-N 3.36Å; L405-A407 PolarHBondContact O-N 2.84Å; A407-R410 CarbonylContact O-C 3.58Å; A407-R410 PolarHBondContact O-N 3.38Å; A407-D411 PolarHBondContact O-N 3.06Å |
| 408 | L | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | -179.4 | -179 | 65.9 | 0 | 0 | 0 | 112.3 | L94 I97 N404 L405 T406 R410 W415 A437 L439 | L94-L408 HydrophobicContact CB-CD1 3.87Å; L94-L408 HydrophobicContact CD1-CD2 4.48Å; I97-L408 HydrophobicContact CD1-CD2 4.06Å; N404-L408 PolarHBondContact O-N 2.93Å; L405-L408 HydrophobicContact CD2-CD2 4.24Å; L405-L408 PolarHBondContact O-N 3.13Å; T406-L408 VanDerWaalsContact C-N 3.34Å; T406-L408 PolarHBondContact O-N 2.97Å; L408-R410 VanDerWaalsContact C-N 3.25Å; L408-R410 PolarHBondContact O-N 2.97Å; L408-W415 PolarHBondContact O-NE1 3.21Å; L408-A437 HydrophobicContact CD1-CB 3.84Å; L408-A437 WeakPolarHBondContact CD2-O 3.19Å; L408-A437 HydrophobicContact CG-CB 4.18Å; L408-A437 WeakPolarHBondContact CG-O 3.25Å; L408-L439 HydrophobicContact CD2-CB 4.27Å; L408-L439 HydrophobicContact CD2-CD1 3.62Å; L408-L439 HydrophobicContact CD2-CG 3.87Å |
| 409 | H | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77 | -12.1 | 179.4 | -70.7 | -179.4 | 0 | 0 | 0 | 112.7 | R371 L405 T406 W415 A437 L439 | R371-H409 HydrophobicContact CG-CB 3.81Å; R371-H409 PolarHBondContact NH1-O 2.97Å; L405-H409 WeakPolarHBondContact O-CB 3.37Å; L405-H409 PolarHBondContact O-N 3.44Å; T406-H409 PolarHBondContact O-N 3.3Å; H409-W415 PolarHBondContact O-NE1 3.35Å; H409-A437 PolarHBondContact CD2-O 3.49Å; H409-L439 PolarHBondContact NE2-N 3.38Å |
| 410 | R | 93.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 15.3 | 176.2 | -59.2 | -64.3 | -178.9 | 121.6 | -6.2 | 112.9 | M372 T406 A407 L408 P412 P418 D419 | M372-R410 VanDerWaalsContact SD-CZ 3.52Å; M372-R410 PolarHBondContact SD-NH2 2.88Å; T406-R410 VanDerWaalsContact O-CB 3.31Å; T406-R410 WeakPolarHBondContact O-CB 3.35Å; T406-R410 VanDerWaalsContact O-CG 3.27Å; T406-R410 WeakPolarHBondContact O-CG 3.14Å; T406-R410 PolarHBondContact O-N 2.8Å; A407-R410 CarbonylContact O-C 3.58Å; A407-R410 PolarHBondContact O-N 3.38Å; L408-R410 VanDerWaalsContact C-N 3.25Å; L408-R410 PolarHBondContact O-N 2.97Å; R410-P412 WeakPolarHBondContact O-CD 3.43Å; R410-P418 HydrophobicContact CB-CB 4.43Å; R410-P418 WeakPolarHBondContact CD-O 3.24Å; R410-P418 VanDerWaalsContact O-CB 3.31Å; R410-P418 WeakPolarHBondContact O-CB 3.35Å; R410-D419 IonicContact CZ-OD1 2.8Å; R410-D419 IonicContact NH1-OD1 3.92Å; R410-D419 PolarHBondContact NH1-OD1 3.1Å |
| 411 | D | 92.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 38 Ų | 38 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | trans | -71.4 | 114.9 | -178.5 | -167 | -21.8 | 0 | 0 | 0 | 111.1 | A407 T413 E414 W415 | A407-D411 PolarHBondContact O-N 3.06Å; D411-T413 PolarHBondContact O-N 3.35Å; D411-T413 VanDerWaalsContact O-N 3.12Å; D411-T413 PolarHBondContact OD1-N 2.94Å; D411-T413 PolarHBondContact OD1-OG1 2.8Å; D411-T413 PolarHBondContact OD2-OG1 2.73Å; D411-E414 HydrophobicContact CB-CB 4.21Å; D411-E414 HydrophobicContact CB-CG 4.13Å; D411-E414 PolarHBondContact O-N 3.08Å; D411-W415 PolarHBondContact O-N 3.05Å | ||
| 412 | P | 93.4 | Very high | 95.3 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.3 | -179.8 | 28.5 | -36.4 | 0 | 0 | 0 | 113.6 | R410 P418 | R410-P412 WeakPolarHBondContact O-CD 3.43Å; P412-P418 HydrophobicContact CB-CG 4.29Å |
| 413 | T | 93 | Very high | 95.4 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 69% | 0.693 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -21.4 | 173.4 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | D411 | D411-T413 PolarHBondContact O-N 3.35Å; D411-T413 VanDerWaalsContact O-N 3.12Å; D411-T413 PolarHBondContact OD1-N 2.94Å; D411-T413 PolarHBondContact OD1-OG1 2.8Å; D411-T413 PolarHBondContact OD2-OG1 2.73Å |
| 414 | E | 94.4 | Very high | 95.5 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 29% | 0.285 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -29.6 | -179.4 | -63.6 | -66.7 | 155.7 | 0 | 0 | 112.2 | D411 R435 A437 | D411-E414 HydrophobicContact CB-CB 4.21Å; D411-E414 HydrophobicContact CB-CG 4.13Å; D411-E414 PolarHBondContact O-N 3.08Å; E414-R435 PolarHBondContact O-NH2 3.15Å; E414-A437 HydrophobicContact CB-CB 4.02Å; E414-A437 HydrophobicContact CG-CB 3.82Å |
| 415 | W | 96.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | trans | -125.2 | 123.8 | -174.1 | -46.9 | 99.6 | 0 | 0 | 0 | 110.3 | R371 L408 H409 D411 T417 P418 H425 F426 R435 A437 F438 | R371-W415 VanDerWaalsContact CD-CE3 3.46Å; R371-W415 VanDerWaalsContact CD-CZ3 3.46Å; R371-W415 HydrophobicContact CG-CH2 4.29Å; R371-W415 HydrophobicContact CG-CZ2 4.21Å; L408-W415 PolarHBondContact O-NE1 3.21Å; H409-W415 PolarHBondContact O-NE1 3.35Å; D411-W415 PolarHBondContact O-N 3.05Å; W415-T417 PolarHBondContact O-N 3.2Å; W415-P418 HydrophobicContact CB-CB 4.03Å; W415-P418 WeakPolarHBondContact O-CD 3.33Å; W415-H425 HydrophobicContact CE3-CB 3.83Å; W415-H425 AromaticContact CE3-CG 3.92Å; W415-H425 HydrophobicContact CZ3-CB 4.01Å; W415-F426 AromaticContact CH2-CE1 3.9Å; W415-F426 HydrophobicContact CH2-CE1 3.9Å; W415-F426 HydrophobicContact CH2-CE2 4.29Å; W415-F426 AromaticContact CH2-CZ 3.51Å; W415-F426 HydrophobicContact CH2-CZ 3.51Å; W415-F426 AromaticContact CZ3-CE1 3.98Å; W415-F426 HydrophobicContact CZ3-CE1 3.98Å; W415-F426 AromaticContact CZ3-CE2 3.86Å; W415-F426 HydrophobicContact CZ3-CE2 3.86Å; W415-F426 AromaticContact CZ3-CZ 3.51Å; W415-F426 HydrophobicContact CZ3-CZ 3.51Å; W415-R435 HydrophobicContact CH2-CB 3.81Å; W415-R435 HydrophobicContact CH2-CG 3.89Å; W415-R435 HydrophobicContact CZ3-CB 4.23Å; W415-R435 HydrophobicContact CZ3-CG 3.78Å; W415-A437 HydrophobicContact CZ2-CB 4.04Å; W415-F438 HydrophobicContact CH2-CB 4.17Å | ||
| 416 | A | 95.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 75% | 0.752 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -64.9 | -37.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 417 | T | 97.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -128.2 | 70.3 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | W415 D419 T420 N422 H425 | W415-T417 PolarHBondContact O-N 3.2Å; T417-D419 PolarHBondContact O-N 3.04Å; T417-D419 VanDerWaalsContact O-N 3.08Å; T417-T420 PolarHBondContact O-N 3.23Å; T417-N422 WeakPolarHBondContact OG1-CB 3.44Å; T417-N422 PolarHBondContact OG1-ND2 2.7Å; T417-H425 PolarHBondContact N-NE2 3.3Å; T417-H425 PolarHBondContact O-CE1 2.83Å; T417-H425 PolarHBondContact OG1-CE1 3.32Å; T417-H425 PolarHBondContact OG1-NE2 2.88Å; T417-H425 VanDerWaalsContact OG1-NE2 3.14Å |
| 418 | P | 95.8 | Very high | 96 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.5 | -164.7 | 22.3 | -31.5 | 0 | 0 | 0 | 113.2 | R371 R410 P412 W415 | R371-P418 PolarHBondContact NH1-O 2.86Å; R371-P418 PolarHBondContact NH2-O 3.31Å; R410-P418 HydrophobicContact CB-CB 4.43Å; R410-P418 WeakPolarHBondContact CD-O 3.24Å; R410-P418 VanDerWaalsContact O-CB 3.31Å; R410-P418 WeakPolarHBondContact O-CB 3.35Å; P412-P418 HydrophobicContact CB-CG 4.29Å; W415-P418 HydrophobicContact CB-CB 4.03Å; W415-P418 WeakPolarHBondContact O-CD 3.33Å |
| 419 | D | 94.9 | Very high | 96 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.6 | -176.5 | -64 | -51.7 | 0 | 0 | 0 | 115.2 | M372 R410 T417 | M372-D419 WeakPolarHBondContact CE-O 3.21Å; R410-D419 IonicContact CZ-OD1 2.8Å; R410-D419 IonicContact NH1-OD1 3.92Å; R410-D419 PolarHBondContact NH1-OD1 3.1Å; T417-D419 PolarHBondContact O-N 3.04Å; T417-D419 VanDerWaalsContact O-N 3.08Å |
| 420 | T | 95.9 | Very high | 95.8 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -103.7 | 141.1 | 179 | -52.8 | 0 | 0 | 0 | 0 | 109.6 | R371 T417 N422 | R371-T420 PolarHBondContact NH2-O 2.76Å; R371-T420 VanDerWaalsContact NH2-O 3.09Å; T417-T420 PolarHBondContact O-N 3.23Å; T420-N422 PolarHBondContact O-N 3.16Å; T420-N422 VanDerWaalsContact O-N 3.15Å |
| 421 | F | 98 | Very high | 96 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.022 | 35% | 0.353 | C | S | . | . | trans | -72.6 | 104.2 | 169.9 | -178.7 | -103.7 | 0 | 0 | 0 | 108.8 | Y326 M327 Y330 I333 V365 E368 V369 M372 | Y326-F421 HydrophobicContact CD1-CB 4.36Å; Y326-F421 HydrophobicContact CD1-CD1 4.44Å; Y326-F421 AromaticContact CD1-CD2 3.93Å; Y326-F421 HydrophobicContact CD1-CD2 3.93Å; Y326-F421 HydrophobicContact CD1-CE2 4.35Å; Y326-F421 AromaticContact CD1-CG 4Å; Y326-F421 HydrophobicContact CD1-CG 4Å; Y326-F421 HydrophobicContact CD2-CD2 4.07Å; Y326-F421 AromaticContact CD2-CE2 3.87Å; Y326-F421 HydrophobicContact CD2-CE2 3.87Å; Y326-F421 HydrophobicContact CD2-CZ 4.48Å; Y326-F421 HydrophobicContact CE1-CB 4.4Å; Y326-F421 HydrophobicContact CE1-CD2 4.18Å; Y326-F421 HydrophobicContact CE1-CG 4.38Å; Y326-F421 HydrophobicContact CE2-CD2 4.31Å; Y326-F421 HydrophobicContact CE2-CE2 4.43Å; Y326-F421 AromaticContact CG-CD2 3.89Å; Y326-F421 HydrophobicContact CG-CD2 3.89Å; Y326-F421 HydrophobicContact CG-CE1 4.49Å; Y326-F421 AromaticContact CG-CE2 3.84Å; Y326-F421 HydrophobicContact CG-CE2 3.84Å; Y326-F421 HydrophobicContact CG-CG 4.28Å; Y326-F421 HydrophobicContact CG-CZ 4.15Å; M327-F421 HydrophobicContact CE-CE1 4.14Å; M327-F421 HydrophobicContact CE-CZ 4.13Å; Y330-F421 HydrophobicContact CD2-CB 4.27Å; Y330-F421 AromaticContact CD2-CD1 3.58Å; Y330-F421 HydrophobicContact CD2-CD1 3.58Å; Y330-F421 HydrophobicContact CD2-CE1 4.27Å; Y330-F421 HydrophobicContact CD2-CG 4.18Å; Y330-F421 HydrophobicContact CE1-CB 4.41Å; Y330-F421 HydrophobicContact CE2-CB 3.65Å; Y330-F421 AromaticContact CE2-CD1 3.88Å; Y330-F421 HydrophobicContact CE2-CD1 3.88Å; Y330-F421 HydrophobicContact CE2-CG 4.02Å; Y330-F421 AromaticContact CG-CD1 3.95Å; Y330-F421 HydrophobicContact CG-CD1 3.95Å; I333-F421 HydrophobicContact CD1-CD1 3.51Å; I333-F421 HydrophobicContact CD1-CE1 3.59Å; I333-F421 HydrophobicContact CG2-CE1 4.11Å; V365-F421 HydrophobicContact CG1-CZ 4.28Å; E368-F421 HydrophobicContact CB-CD2 4.45Å; E368-F421 HydrophobicContact CB-CE2 4.01Å; E368-F421 HydrophobicContact CG-CD2 3.6Å; E368-F421 HydrophobicContact CG-CE2 3.65Å; E368-F421 HydrophobicContact CG-CG 4.26Å; E368-F421 HydrophobicContact CG-CZ 4.36Å; V369-F421 HydrophobicContact CB-CE2 4.48Å; V369-F421 HydrophobicContact CG2-CE2 3.77Å; V369-F421 HydrophobicContact CG2-CZ 3.88Å; M372-F421 HydrophobicContact CB-CD2 4.14Å; M372-F421 HydrophobicContact CE-CB 4.38Å; M372-F421 HydrophobicContact CG-CB 4.46Å; M372-F421 HydrophobicContact CG-CD2 3.99Å | ||
| 422 | N | 98.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | trans | -139.5 | 100.8 | -171.6 | -179.4 | 7.9 | 0 | 0 | 0 | 111.3 | E368 T417 T420 E424 H425 | E368-N422 PolarHBondContact OE1-N 3.1Å; T417-N422 WeakPolarHBondContact OG1-CB 3.44Å; T417-N422 PolarHBondContact OG1-ND2 2.7Å; T420-N422 PolarHBondContact O-N 3.16Å; T420-N422 VanDerWaalsContact O-N 3.15Å; N422-E424 PolarHBondContact O-N 3.42Å; N422-E424 VanDerWaalsContact O-N 3.14Å; N422-E424 VanDerWaalsContact OD1-CB 3.24Å; N422-E424 WeakPolarHBondContact OD1-CB 3.47Å; N422-E424 WeakPolarHBondContact OD1-CG 3.13Å; N422-E424 PolarHBondContact OD1-N 2.96Å; N422-E424 VanDerWaalsContact OD1-N 3.07Å; N422-H425 WeakPolarHBondContact O-CB 3.29Å; N422-H425 VanDerWaalsContact O-CG 3.31Å; N422-H425 PolarHBondContact O-N 3.45Å; N422-H425 PolarHBondContact O-ND1 2.91Å; N422-H425 VanDerWaalsContact O-ND1 3.07Å | ||
| 423 | P | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.019 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.2 | -23.8 | 178.4 | -26.2 | 36.1 | 0 | 0 | 0 | 114.4 | I333 Y361 A364 V365 H425 F426 | I333-P423 HydrophobicContact CD1-CG 4.01Å; I333-P423 HydrophobicContact CG1-CG 4.45Å; I333-P423 HydrophobicContact CG2-CG 3.92Å; Y361-P423 HydrophobicContact CE2-CB 4.17Å; A364-P423 HydrophobicContact CB-CB 4.34Å; V365-P423 HydrophobicContact CG2-CB 3.78Å; V365-P423 HydrophobicContact CG2-CG 3.52Å; P423-H425 PolarHBondContact O-N 3.44Å; P423-F426 PolarHBondContact O-N 3.44Å |
| 424 | E | 97.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -60.9 | -18.4 | 179 | -57.6 | -62.3 | 150.1 | 0 | 0 | 112.6 | N422 F426 L427 | N422-E424 PolarHBondContact O-N 3.42Å; N422-E424 VanDerWaalsContact O-N 3.14Å; N422-E424 VanDerWaalsContact OD1-CB 3.24Å; N422-E424 WeakPolarHBondContact OD1-CB 3.47Å; N422-E424 WeakPolarHBondContact OD1-CG 3.13Å; N422-E424 PolarHBondContact OD1-N 2.96Å; N422-E424 VanDerWaalsContact OD1-N 3.07Å; E424-F426 PolarHBondContact O-N 2.91Å; E424-F426 VanDerWaalsContact O-N 3.1Å; E424-L427 PolarHBondContact O-N 3.25Å; E424-L427 VanDerWaalsContact O-N 3.1Å |
| 425 | H | 98.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -56.6 | -23.6 | 171.3 | -71.2 | 147.1 | 0 | 0 | 0 | 114.7 | E368 W415 T417 N422 P423 R435 | E368-H425 IonicContact OE1-CE1 3.71Å; E368-H425 IonicContact OE1-ND1 3.64Å; E368-H425 PolarHBondContact OE1-ND1 3.07Å; E368-H425 IonicContact OE2-ND1 2.87Å; E368-H425 PolarHBondContact OE2-ND1 2.69Å; W415-H425 HydrophobicContact CE3-CB 3.83Å; W415-H425 AromaticContact CE3-CG 3.92Å; W415-H425 HydrophobicContact CZ3-CB 4.01Å; T417-H425 PolarHBondContact N-NE2 3.3Å; T417-H425 PolarHBondContact O-CE1 2.83Å; T417-H425 PolarHBondContact OG1-CE1 3.32Å; T417-H425 PolarHBondContact OG1-NE2 2.88Å; T417-H425 VanDerWaalsContact OG1-NE2 3.14Å; N422-H425 WeakPolarHBondContact O-CB 3.29Å; N422-H425 VanDerWaalsContact O-CG 3.31Å; N422-H425 PolarHBondContact O-N 3.45Å; N422-H425 PolarHBondContact O-ND1 2.91Å; N422-H425 VanDerWaalsContact O-ND1 3.07Å; P423-H425 PolarHBondContact O-N 3.44Å; H425-R435 PolarHBondContact O-NE 2.87Å |
| 426 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -113.5 | 16.6 | -179.4 | -66.1 | -80.8 | 0 | 0 | 0 | 112.4 | A364 H367 E368 R371 W415 P423 E424 F432 K433 R435 F438 | A364-F426 HydrophobicContact CB-CB 3.77Å; H367-F426 HydrophobicContact CB-CD1 3.83Å; H367-F426 HydrophobicContact CB-CD2 3.76Å; H367-F426 HydrophobicContact CB-CE1 3.84Å; H367-F426 HydrophobicContact CB-CE2 3.76Å; H367-F426 HydrophobicContact CB-CG 3.79Å; H367-F426 HydrophobicContact CB-CZ 3.8Å; E368-F426 HydrophobicContact CB-CD2 4.24Å; E368-F426 HydrophobicContact CB-CE2 4.23Å; E368-F426 VanDerWaalsContact OE2-CE2 3.32Å; E368-F426 WeakPolarHBondContact OE2-CE2 3.5Å; R371-F426 HydrophobicContact CB-CE2 4.4Å; R371-F426 HydrophobicContact CB-CZ 4.41Å; W415-F426 AromaticContact CH2-CE1 3.9Å; W415-F426 HydrophobicContact CH2-CE1 3.9Å; W415-F426 HydrophobicContact CH2-CE2 4.29Å; W415-F426 AromaticContact CH2-CZ 3.51Å; W415-F426 HydrophobicContact CH2-CZ 3.51Å; W415-F426 AromaticContact CZ3-CE1 3.98Å; W415-F426 HydrophobicContact CZ3-CE1 3.98Å; W415-F426 AromaticContact CZ3-CE2 3.86Å; W415-F426 HydrophobicContact CZ3-CE2 3.86Å; W415-F426 AromaticContact CZ3-CZ 3.51Å; W415-F426 HydrophobicContact CZ3-CZ 3.51Å; P423-F426 PolarHBondContact O-N 3.44Å; E424-F426 PolarHBondContact O-N 2.91Å; E424-F426 VanDerWaalsContact O-N 3.1Å; F426-F432 HydrophobicContact CB-CD2 4.29Å; F426-F432 HydrophobicContact CB-CE2 3.99Å; F426-F432 HydrophobicContact CD1-CE2 4.44Å; F426-F432 HydrophobicContact CG-CE2 4.5Å; F426-F432 CarbonylContact O-C 3.52Å; F426-F432 WeakPolarHBondContact O-CA 3.42Å; F426-K433 PolarHBondContact O-N 3.34Å; F426-R435 HydrophobicContact CD1-CG 4.05Å; F426-R435 HydrophobicContact CE1-CB 4.24Å; F426-R435 HydrophobicContact CE1-CG 3.98Å; F426-F438 HydrophobicContact CE1-CB 3.98Å; F426-F438 HydrophobicContact CE1-CD1 4.38Å; F426-F438 AromaticContact CE1-CD2 3.91Å; F426-F438 HydrophobicContact CE1-CD2 3.91Å; F426-F438 HydrophobicContact CE1-CE2 4.45Å; F426-F438 AromaticContact CE1-CG 3.83Å; F426-F438 HydrophobicContact CE1-CG 3.83Å; F426-F438 HydrophobicContact CZ-CB 4.32Å; F426-F438 AromaticContact CZ-CD2 3.53Å; F426-F438 HydrophobicContact CZ-CD2 3.53Å; F426-F438 AromaticContact CZ-CE2 3.91Å; F426-F438 HydrophobicContact CZ-CE2 3.91Å; F426-F438 AromaticContact CZ-CG 3.95Å; F426-F438 HydrophobicContact CZ-CG 3.95Å |
| 427 | L | 97.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.5 | 178.1 | -63.6 | 171.9 | 0 | 0 | 0 | 111.1 | P360 Y361 A364 E424 Q431 | P360-L427 HydrophobicContact CB-CD2 4.24Å; Y361-L427 HydrophobicContact CD2-CD1 3.67Å; Y361-L427 HydrophobicContact CE2-CD1 4.19Å; A364-L427 HydrophobicContact CB-CD1 4.25Å; A364-L427 HydrophobicContact CB-CD2 3.8Å; A364-L427 HydrophobicContact CB-CG 3.78Å; E424-L427 PolarHBondContact O-N 3.25Å; E424-L427 VanDerWaalsContact O-N 3.1Å; L427-Q431 CarbonylContact C-O 3.43Å; L427-Q431 WeakPolarHBondContact CA-O 3.32Å |
| 428 | E | 96.4 | Very high | 96.4 | Very high | 101 Ų | 101 | 61.6 Ų | 61.6 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 116.8 | 170 | -176.2 | 168.1 | -111.4 | 0 | 0 | 107.8 | G430 Q431 K433 | E428-G430 PolarHBondContact O-N 2.83Å; E428-Q431 PolarHBondContact N-O 2.9Å; E428-Q431 PolarHBondContact O-N 3.12Å; E428-K433 HydrophobicContact CB-CB 4.21Å; E428-K433 HydrophobicContact CB-CD 3.87Å; E428-K433 HydrophobicContact CG-CD 4.43Å; E428-K433 IonicContact OE1-NZ 2.98Å; E428-K433 PolarHBondContact OE1-NZ 2.93Å; E428-K433 VanDerWaalsContact OE2-CD 3.27Å; E428-K433 WeakPolarHBondContact OE2-CD 3.28Å; E428-K433 WeakPolarHBondContact OE2-CE 3.4Å; E428-K433 IonicContact OE2-NZ 3.88Å; E428-K433 PolarHBondContact OE2-NZ 3.32Å |
| 429 | N | 94.2 | Very high | 96.5 | Very high | 162 Ų | 162 | 61.5 Ų | 61.5 | 87% | 0.866 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 37.5 | -174.4 | -54.5 | -42.3 | 0 | 0 | 0 | 113.5 | Q431 | N429-Q431 PolarHBondContact O-N 3.5Š|
| 430 | G | 91.9 | Very high | 96.6 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 2.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P360 E428 | P360-G430 WeakPolarHBondContact CG-O 3.12Å; E428-G430 PolarHBondContact O-N 2.83Å |
| 431 | Q | 96.4 | Very high | 96.7 | Very high | 125 Ų | 125 | 55.4 Ų | 55.4 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 147.7 | 174.8 | -61.9 | -58.1 | -43.5 | 0 | 0 | 111 | L427 E428 N429 K433 | L427-Q431 CarbonylContact C-O 3.43Å; L427-Q431 WeakPolarHBondContact CA-O 3.32Å; E428-Q431 PolarHBondContact N-O 2.9Å; E428-Q431 PolarHBondContact O-N 3.12Å; N429-Q431 PolarHBondContact O-N 3.5Å; Q431-K433 PolarHBondContact O-N 2.76Å |
| 432 | F | 97.7 | Very high | 96.7 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.6 | 177.9 | 175.9 | -95.1 | 0 | 0 | 0 | 111.3 | P360 N363 A364 H367 F426 K434 | P360-F432 HydrophobicContact CB-CB 4.01Å; N363-F432 HydrophobicContact CB-CD2 3.98Å; N363-F432 HydrophobicContact CB-CE2 4.39Å; N363-F432 HydrophobicContact CB-CG 4.39Å; N363-F432 WeakPolarHBondContact ND2-CD1 3.37Å; N363-F432 WeakPolarHBondContact ND2-CD2 3.38Å; N363-F432 VanDerWaalsContact ND2-CG 3.34Å; N363-F432 WeakPolarHBondContact ND2-CG 3.39Å; A364-F432 HydrophobicContact CB-CD2 4.27Å; H367-F432 HydrophobicContact CB-CE2 4.31Å; H367-F432 AromaticContact CD2-CZ 3.61Å; H367-F432 AromaticContact CE1-CE2 3.77Å; H367-F432 AromaticContact CE1-CZ 3.4Å; H367-F432 WeakPolarHBondContact CE1-CZ 3.37Å; H367-F432 AromaticContact CG-CE2 3.7Å; H367-F432 AromaticContact CG-CZ 3.78Å; H367-F432 AromaticContact ND1-CE2 3.51Å; H367-F432 AromaticContact ND1-CZ 3.63Å; H367-F432 AromaticContact NE2-CZ 3.42Å; H367-F432 WeakPolarHBondContact NE2-CZ 3.39Å; F426-F432 HydrophobicContact CB-CD2 4.29Å; F426-F432 HydrophobicContact CB-CE2 3.99Å; F426-F432 HydrophobicContact CD1-CE2 4.44Å; F426-F432 HydrophobicContact CG-CE2 4.5Å; F426-F432 CarbonylContact O-C 3.52Å; F426-F432 WeakPolarHBondContact O-CA 3.42Å; F432-K434 HydrophobicContact CE1-CB 4.12Å; F432-K434 HydrophobicContact CZ-CB 4.43Å |
| 433 | K | 96.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | trans | -126.8 | 115.2 | 176.1 | -177.8 | 174.9 | -173.1 | 162.6 | 0 | 110.8 | F426 E428 Q431 | F426-K433 PolarHBondContact O-N 3.34Å; E428-K433 HydrophobicContact CB-CB 4.21Å; E428-K433 HydrophobicContact CB-CD 3.87Å; E428-K433 HydrophobicContact CG-CD 4.43Å; E428-K433 IonicContact OE1-NZ 2.98Å; E428-K433 PolarHBondContact OE1-NZ 2.93Å; E428-K433 VanDerWaalsContact OE2-CD 3.27Å; E428-K433 WeakPolarHBondContact OE2-CD 3.28Å; E428-K433 WeakPolarHBondContact OE2-CE 3.4Å; E428-K433 IonicContact OE2-NZ 3.88Å; E428-K433 PolarHBondContact OE2-NZ 3.32Å; Q431-K433 PolarHBondContact O-N 2.76Å | ||
| 434 | K | 93.8 | Very high | 96.5 | Very high | 121 Ų | 121 | 56.4 Ų | 56.4 | 53% | 0.526 | 29% | 0.288 | S | S | . | . | trans | -69.2 | 135.3 | 171.7 | -171.8 | 176.3 | 178.8 | 179 | 0 | 110.3 | F432 | F432-K434 HydrophobicContact CE1-CB 4.12Å; F432-K434 HydrophobicContact CZ-CB 4.43Å | ||
| 435 | R | 95.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | trans | -95.7 | 141.3 | 174.9 | -58.8 | -66.2 | -125.4 | 161.6 | 11.7 | 110.9 | E414 W415 H425 F426 A437 F438 | E414-R435 PolarHBondContact O-NH2 3.15Å; W415-R435 HydrophobicContact CH2-CB 3.81Å; W415-R435 HydrophobicContact CH2-CG 3.89Å; W415-R435 HydrophobicContact CZ3-CB 4.23Å; W415-R435 HydrophobicContact CZ3-CG 3.78Å; H425-R435 PolarHBondContact O-NE 2.87Å; F426-R435 HydrophobicContact CD1-CG 4.05Å; F426-R435 HydrophobicContact CE1-CB 4.24Å; F426-R435 HydrophobicContact CE1-CG 3.98Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-F438 HydrophobicContact CB-CB 4.22Å; R435-F438 VanDerWaalsContact O-CB 3.29Å; R435-F438 WeakPolarHBondContact O-CB 3.49Å; R435-F438 PolarHBondContact O-N 2.88Å | ||
| 436 | E | 95.5 | Very high | 96.2 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 61% | 0.607 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -32.4 | 176.7 | -65.4 | -161.8 | 168.9 | 0 | 0 | 112.9 | L94 K98 F438 L439 | L94-E436 HydrophobicContact CD2-CB 3.99Å; K98-E436 IonicContact NZ-OE2 3.4Å; K98-E436 PolarHBondContact NZ-OE2 3.32Å; E436-F438 PolarHBondContact O-N 3.27Å; E436-L439 WeakPolarHBondContact O-CD2 3.32Å |
| 437 | A | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L408 H409 E414 W415 R435 L439 | L408-A437 HydrophobicContact CD1-CB 3.84Å; L408-A437 WeakPolarHBondContact CD2-O 3.19Å; L408-A437 HydrophobicContact CG-CB 4.18Å; L408-A437 WeakPolarHBondContact CG-O 3.25Å; H409-A437 PolarHBondContact CD2-O 3.49Å; E414-A437 HydrophobicContact CB-CB 4.02Å; E414-A437 HydrophobicContact CG-CB 3.82Å; W415-A437 HydrophobicContact CZ2-CB 4.04Å; R435-A437 VanDerWaalsContact C-N 3.33Å; A437-L439 PolarHBondContact O-N 3.31Å |
| 438 | F | 97.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | trans | -84.4 | 90.9 | 178.7 | -176.7 | -110.4 | 0 | 0 | 0 | 112.2 | H367 Q370 R371 W415 F426 R435 E436 P440 | H367-F438 HydrophobicContact CB-CE1 4.43Å; H367-F438 HydrophobicContact CB-CE2 4.41Å; H367-F438 HydrophobicContact CB-CZ 4.02Å; H367-F438 AromaticContact CD2-CD1 3.69Å; H367-F438 AromaticContact CD2-CE1 3.15Å; H367-F438 WeakPolarHBondContact CD2-CE1 3.41Å; H367-F438 AromaticContact CD2-CZ 3.61Å; H367-F438 AromaticContact NE2-CE1 3.84Å; H367-F438 WeakPolarHBondContact O-CE2 3.27Å; Q370-F438 HydrophobicContact CB-CE2 3.86Å; Q370-F438 HydrophobicContact CB-CZ 3.69Å; Q370-F438 HydrophobicContact CG-CZ 4.43Å; R371-F438 HydrophobicContact CB-CD2 4.28Å; R371-F438 HydrophobicContact CB-CE2 4.12Å; W415-F438 HydrophobicContact CH2-CB 4.17Å; F426-F438 HydrophobicContact CE1-CB 3.98Å; F426-F438 HydrophobicContact CE1-CD1 4.38Å; F426-F438 AromaticContact CE1-CD2 3.91Å; F426-F438 HydrophobicContact CE1-CD2 3.91Å; F426-F438 HydrophobicContact CE1-CE2 4.45Å; F426-F438 AromaticContact CE1-CG 3.83Å; F426-F438 HydrophobicContact CE1-CG 3.83Å; F426-F438 HydrophobicContact CZ-CB 4.32Å; F426-F438 AromaticContact CZ-CD2 3.53Å; F426-F438 HydrophobicContact CZ-CD2 3.53Å; F426-F438 AromaticContact CZ-CE2 3.91Å; F426-F438 HydrophobicContact CZ-CE2 3.91Å; F426-F438 AromaticContact CZ-CG 3.95Å; F426-F438 HydrophobicContact CZ-CG 3.95Å; R435-F438 HydrophobicContact CB-CB 4.22Å; R435-F438 VanDerWaalsContact O-CB 3.29Å; R435-F438 WeakPolarHBondContact O-CB 3.49Å; R435-F438 PolarHBondContact O-N 2.88Å; E436-F438 PolarHBondContact O-N 3.27Å; F438-P440 HydrophobicContact CD1-CG 4.11Å; F438-P440 HydrophobicContact CD2-CG 4.41Å; F438-P440 HydrophobicContact CE1-CG 3.52Å; F438-P440 HydrophobicContact CE2-CG 3.88Å; F438-P440 HydrophobicContact CZ-CB 4.44Å; F438-P440 HydrophobicContact CZ-CG 3.44Å; F438-P440 VanDerWaalsContact CZ-CG 3.44Å; F438-P440 WeakPolarHBondContact O-CD 3.39Å | ||
| 439 | L | 97.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | trans | -117 | 46.3 | -174.8 | -54.9 | -172.7 | 0 | 0 | 0 | 116.2 | L94 I97 L405 L408 H409 E436 A437 F441 S442 I443 | L94-L439 HydrophobicContact CD1-CD1 3.97Å; I97-L439 HydrophobicContact CG2-CD1 4.1Å; L405-L439 HydrophobicContact CD2-CB 4.09Å; L408-L439 HydrophobicContact CD2-CB 4.27Å; L408-L439 HydrophobicContact CD2-CD1 3.62Å; L408-L439 HydrophobicContact CD2-CG 3.87Å; H409-L439 PolarHBondContact NE2-N 3.38Å; E436-L439 WeakPolarHBondContact O-CD2 3.32Å; A437-L439 PolarHBondContact O-N 3.31Å; L439-F441 PolarHBondContact O-N 3.48Å; L439-S442 PolarHBondContact O-N 2.86Å; L439-I443 HydrophobicContact CD1-CD1 4.1Å; L439-I443 HydrophobicContact CD1-CG2 4.09Å; L439-I443 HydrophobicContact CD2-CG2 3.42Å; L439-I443 VanDerWaalsContact CD2-CG2 3.42Å; L439-I443 HydrophobicContact CG-CG2 4.28Å | ||
| 440 | P | 97.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.5 | -179.8 | 31 | -38.9 | 0 | 0 | 0 | 113.4 | Q370 F438 | Q370-P440 HydrophobicContact CB-CB 4.32Å; Q370-P440 HydrophobicContact CB-CG 4.47Å; F438-P440 HydrophobicContact CD1-CG 4.11Å; F438-P440 HydrophobicContact CD2-CG 4.41Å; F438-P440 HydrophobicContact CE1-CG 3.52Å; F438-P440 HydrophobicContact CE2-CG 3.88Å; F438-P440 HydrophobicContact CZ-CB 4.44Å; F438-P440 HydrophobicContact CZ-CG 3.44Å; F438-P440 VanDerWaalsContact CZ-CG 3.44Å; F438-P440 WeakPolarHBondContact O-CD 3.39Å |
| 441 | F | 98.1 | Very high | 96.5 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 10% | 0.101 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 13.8 | -179 | -64.3 | -68.9 | 0 | 0 | 0 | 113.6 | Q370 L439 C448 E451 A454 R455 | Q370-F441 VanDerWaalsContact NE2-CE2 3.34Å; L439-F441 PolarHBondContact O-N 3.48Å; F441-C448 HydrophobicContact CB-CB 3.79Å; F441-C448 HydrophobicContact CD1-CB 3.78Å; F441-C448 HydrophobicContact CG-CB 4.23Å; F441-C448 WeakPolarHBondContact O-CB 3.29Å; F441-C448 PolarHBondContact O-N 2.91Å; F441-E451 HydrophobicContact CB-CB 4.21Å; F441-E451 HydrophobicContact CB-CG 4.14Å; F441-E451 HydrophobicContact CD1-CB 4.08Å; F441-E451 HydrophobicContact CD1-CG 4.25Å; F441-E451 HydrophobicContact CD2-CB 4.34Å; F441-E451 HydrophobicContact CD2-CG 3.63Å; F441-E451 HydrophobicContact CE2-CG 4.05Å; F441-E451 HydrophobicContact CG-CB 3.95Å; F441-E451 HydrophobicContact CG-CG 3.74Å; F441-A454 HydrophobicContact CE1-CB 3.81Å; F441-A454 HydrophobicContact CZ-CB 3.92Å; F441-R455 HydrophobicContact CE2-CG 4.1Å; F441-R455 HydrophobicContact CZ-CG 4.42Å |
| 442 | S | 97.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | 60.1 | -172.1 | -172.3 | -160.7 | 0 | 0 | 0 | 0 | 112.5 | N379 L439 | N379-S442 WeakPolarHBondContact ND2-CB 3.45Å; N379-S442 PolarHBondContact ND2-OG 3.47Å; N379-S442 VanDerWaalsContact OD1-CB 3.29Å; N379-S442 WeakPolarHBondContact OD1-CB 3.46Å; N379-S442 PolarHBondContact OD1-OG 2.81Å; N379-S442 VanDerWaalsContact OD1-OG 3.04Å; L439-S442 PolarHBondContact O-N 2.86Å | ||
| 443 | I | 96.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | trans | -142.2 | 168.4 | 179 | 61.5 | -179 | 0 | 0 | 0 | 111.8 | I97 K98 L101 I102 R382 L439 | I97-I443 HydrophobicContact CG2-CD1 3.89Å; I97-I443 HydrophobicContact CG2-CG1 4.46Å; K98-I443 HydrophobicContact CG-CD1 4.14Å; L101-I443 HydrophobicContact CB-CD1 4.34Å; L101-I443 HydrophobicContact CB-CG1 3.84Å; L101-I443 HydrophobicContact CD1-CG1 3.98Å; I102-I443 HydrophobicContact CD1-CD1 3.84Å; I102-I443 HydrophobicContact CD1-CG1 4.42Å; I102-I443 HydrophobicContact CG1-CD1 3.91Å; I102-I443 HydrophobicContact CG1-CG1 4.18Å; R382-I443 PolarHBondContact NH2-O 2.98Å; L439-I443 HydrophobicContact CD1-CD1 4.1Å; L439-I443 HydrophobicContact CD1-CG2 4.09Å; L439-I443 HydrophobicContact CD2-CG2 3.42Å; L439-I443 VanDerWaalsContact CD2-CG2 3.42Å; L439-I443 HydrophobicContact CG-CG2 4.28Å | ||
| 444 | G | 95.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 32% | 0.32 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 77.8 | -164.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R446 A447 | G444-R446 PolarHBondContact O-N 2.73Å; G444-A447 VanDerWaalsContact O-CB 3.3Å; G444-A447 WeakPolarHBondContact O-CB 3.5Å; G444-A447 PolarHBondContact O-N 3.27Å |
| 445 | K | 93.9 | Very high | 96.7 | Very high | 105 Ų | 105 | 38.4 Ų | 38.4 | 46% | 0.457 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.6 | -172.7 | -78.9 | -179.1 | -179.5 | 134.5 | 0 | 115.4 | D105 W134 R138 | D105-K445 HydrophobicContact CB-CD 4.49Å; D105-K445 IonicContact OD1-NZ 3.33Å; D105-K445 PolarHBondContact OD1-NZ 3.08Å; D105-K445 WeakPolarHBondContact OD2-CD 3.32Å; D105-K445 WeakPolarHBondContact OD2-CE 3.48Å; D105-K445 VanDerWaalsContact OD2-CG 3.25Å; D105-K445 WeakPolarHBondContact OD2-CG 3.27Å; D105-K445 IonicContact OD2-NZ 3.53Å; D105-K445 PolarHBondContact OD2-NZ 3.37Å; W134-K445 HydrophobicContact CH2-CB 4.28Å; W134-K445 WeakPolarHBondContact CZ2-O 3.45Å; R138-K445 PolarHBondContact NE-O 3.35Å |
| 446 | R | 95.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 30.3 | 172.6 | -39.6 | -140.7 | -179.1 | -171.1 | 11.2 | 114.3 | G109 S129 W134 R382 G444 | G109-R446 PolarHBondContact O-NE 3.48Å; G109-R446 PolarHBondContact O-NH2 2.61Å; S129-R446 PolarHBondContact O-NH1 3.05Å; S129-R446 PolarHBondContact O-NH2 3.12Å; S129-R446 VanDerWaalsContact O-NH2 3.07Å; W134-R446 VanDerWaalsContact CE2-CD 3.5Å; W134-R446 VanDerWaalsContact CE2-CZ 3.45Å; W134-R446 VanDerWaalsContact CE2-NE 3.33Å; W134-R446 HydrophobicContact CH2-CG 3.83Å; W134-R446 HydrophobicContact CZ2-CB 4.2Å; W134-R446 VanDerWaalsContact CZ2-CD 3.47Å; W134-R446 HydrophobicContact CZ2-CG 3.44Å; W134-R446 VanDerWaalsContact CZ2-CG 3.44Å; W134-R446 VanDerWaalsContact NE1-NH1 3.14Å; R382-R446 VanDerWaalsContact CZ-CB 3.43Å; R382-R446 VanDerWaalsContact NH2-CB 3.3Å; G444-R446 PolarHBondContact O-N 2.73Å |
| 447 | A | 96.7 | Very high | 97 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -54.1 | 154.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R138 G444 L449 | R138-A447 PolarHBondContact NH1-O 3.44Å; R138-A447 PolarHBondContact NH2-O 3Å; G444-A447 VanDerWaalsContact O-CB 3.3Å; G444-A447 WeakPolarHBondContact O-CB 3.5Å; G444-A447 PolarHBondContact O-N 3.27Å; A447-L449 PolarHBondContact O-N 3.33Å |
| 448 | C | 98.1 | Very high | 97.1 | Very high | 55 Ų | 55 | 29.9 Ų | 29.9 | 37% | 0.372 | 17% | 0.168 | S | C | . | . | trans | -50 | 127.4 | -176.6 | -174.8 | 0 | 0 | 0 | 0 | 111 | F441 G450 E451 | F441-C448 HydrophobicContact CB-CB 3.79Å; F441-C448 HydrophobicContact CD1-CB 3.78Å; F441-C448 HydrophobicContact CG-CB 4.23Å; F441-C448 WeakPolarHBondContact O-CB 3.29Å; F441-C448 PolarHBondContact O-N 2.91Å; C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact SG-N 2.86Å; C448-G450 VanDerWaalsContact SG-N 3.44Å; C448-E451 HydrophobicContact CB-CB 4.27Å | ||
| 449 | L | 96.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -34 | 178.3 | -176.2 | 134.1 | 0 | 0 | 0 | 111.7 | L126 R138 T141 L142 L145 L308 A447 | L126-L449 HydrophobicContact CD1-CD1 4.21Å; L126-L449 HydrophobicContact CD2-CD1 4.16Å; L126-L449 HydrophobicContact CD2-CD2 4.36Å; R138-L449 HydrophobicContact CG-CD1 3.83Å; T141-L449 HydrophobicContact CG2-CD1 4.31Å; T141-L449 HydrophobicContact CG2-CD2 3.86Å; L142-L449 HydrophobicContact CD1-CD1 4.48Å; L142-L449 HydrophobicContact CD2-CD1 3.84Å; L142-L449 HydrophobicContact CD2-CG 3.71Å; L142-L449 HydrophobicContact CG-CD1 3.69Å; L142-L449 HydrophobicContact CG-CG 4.15Å; L145-L449 HydrophobicContact CD1-CD2 3.29Å; L145-L449 HydrophobicContact CG-CD2 4.47Å; L308-L449 HydrophobicContact CD2-CD2 4.41Å; A447-L449 PolarHBondContact O-N 3.33Å |
| 450 | G | 96.9 | Very high | 97.2 | Very high | 22 Ų | 22 | 29 Ų | 29 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 11.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | C448 Q452 L453 A454 | C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact SG-N 2.86Å; C448-G450 VanDerWaalsContact SG-N 3.44Å; G450-Q452 VanDerWaalsContact C-N 3.27Å; G450-Q452 PolarHBondContact O-N 3.49Å; G450-L453 WeakPolarHBondContact O-CB 2.93Å; G450-L453 PolarHBondContact O-N 2.86Å; G450-A454 PolarHBondContact O-N 3.33Å |
| 451 | E | 97.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 27.4 Ų | 27.4 | 24% | 0.243 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.2 | -43.8 | -175.7 | 172.1 | 172.3 | -170.5 | 0 | 0 | 112.5 | F441 C448 R455 | F441-E451 HydrophobicContact CB-CB 4.21Å; F441-E451 HydrophobicContact CB-CG 4.14Å; F441-E451 HydrophobicContact CD1-CB 4.08Å; F441-E451 HydrophobicContact CD1-CG 4.25Å; F441-E451 HydrophobicContact CD2-CB 4.34Å; F441-E451 HydrophobicContact CD2-CG 3.63Å; F441-E451 HydrophobicContact CE2-CG 4.05Å; F441-E451 HydrophobicContact CG-CB 3.95Å; F441-E451 HydrophobicContact CG-CG 3.74Å; C448-E451 HydrophobicContact CB-CB 4.27Å; E451-R455 HydrophobicContact CG-CG 4.4Å; E451-R455 WeakPolarHBondContact O-CB 3.25Å; E451-R455 VanDerWaalsContact O-CG 3.3Å; E451-R455 WeakPolarHBondContact O-CG 3.29Å; E451-R455 PolarHBondContact O-N 3.34Å; E451-R455 IonicContact OE1-CZ 3.98Å; E451-R455 VanDerWaalsContact OE1-CZ 3.24Å; E451-R455 IonicContact OE1-NE 3.17Å; E451-R455 PolarHBondContact OE1-NE 3.08Å; E451-R455 IonicContact OE1-NH2 2.74Å; E451-R455 PolarHBondContact OE1-NH2 2.86Å |
| 452 | Q | 95.9 | Very high | 97.3 | Very high | 98 Ų | 98 | 26.4 Ų | 26.4 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -41.7 | -179.8 | -173.8 | 175.1 | 31.1 | 0 | 0 | 111.7 | L150 G450 T456 | L150-Q452 HydrophobicContact CD1-CB 4.15Å; L150-Q452 HydrophobicContact CD1-CG 4.33Å; G450-Q452 VanDerWaalsContact C-N 3.27Å; G450-Q452 PolarHBondContact O-N 3.49Å; Q452-T456 PolarHBondContact O-N 2.98Å; Q452-T456 PolarHBondContact O-OG1 3.28Å |
| 453 | L | 97.3 | Very high | 97.4 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -52.7 | 178.1 | -179 | 53.8 | 0 | 0 | 0 | 110.6 | L150 L155 I159 I191 I192 I195 G450 R455 T456 E457 | L150-L453 HydrophobicContact CD1-CB 3.63Å; L155-L453 HydrophobicContact CD2-CD1 3.71Å; L155-L453 HydrophobicContact CG-CD1 4.38Å; I159-L453 HydrophobicContact CD1-CD1 3.99Å; I191-L453 HydrophobicContact CG2-CD1 4.05Å; I192-L453 HydrophobicContact CD1-CD2 4.46Å; I195-L453 HydrophobicContact CD1-CD2 4.03Å; G450-L453 WeakPolarHBondContact O-CB 2.93Å; G450-L453 PolarHBondContact O-N 2.86Å; L453-R455 VanDerWaalsContact C-N 3.31Å; L453-R455 PolarHBondContact O-N 2.95Å; L453-T456 WeakPolarHBondContact O-CB 3.34Å; L453-T456 PolarHBondContact O-N 2.83Å; L453-E457 HydrophobicContact CD1-CG 4.12Å; L453-E457 WeakPolarHBondContact CD1-OE1 3.44Å; L453-E457 HydrophobicContact CG-CG 4.35Å; L453-E457 WeakPolarHBondContact CG-OE1 3.47Å; L453-E457 WeakPolarHBondContact O-CG 3.04Å; L453-E457 PolarHBondContact O-N 2.93Å |
| 454 | A | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 25 Ų | 25 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -41.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F441 G450 T456 E457 L458 | F441-A454 HydrophobicContact CE1-CB 3.81Å; F441-A454 HydrophobicContact CZ-CB 3.92Å; G450-A454 PolarHBondContact O-N 3.33Å; A454-T456 VanDerWaalsContact C-N 3.31Å; A454-T456 PolarHBondContact O-N 2.8Å; A454-E457 PolarHBondContact O-N 2.77Å; A454-L458 VanDerWaalsContact O-CB 3.25Å; A454-L458 WeakPolarHBondContact O-CB 3.43Å; A454-L458 WeakPolarHBondContact O-CG 3.23Å; A454-L458 PolarHBondContact O-N 3.28Å |
| 455 | R | 97.8 | Very high | 97.6 | Very high | 48 Ų | 48 | 23.5 Ų | 23.5 | 18% | 0.181 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 176.4 | -75.3 | 176 | 178.9 | -89.8 | -2 | 112.7 | H367 F441 E451 L453 F459 | H367-R455 PolarHBondContact NE2-NH1 3.03Å; F441-R455 HydrophobicContact CE2-CG 4.1Å; F441-R455 HydrophobicContact CZ-CG 4.42Å; E451-R455 HydrophobicContact CG-CG 4.4Å; E451-R455 WeakPolarHBondContact O-CB 3.25Å; E451-R455 VanDerWaalsContact O-CG 3.3Å; E451-R455 WeakPolarHBondContact O-CG 3.29Å; E451-R455 PolarHBondContact O-N 3.34Å; E451-R455 IonicContact OE1-CZ 3.98Å; E451-R455 VanDerWaalsContact OE1-CZ 3.24Å; E451-R455 IonicContact OE1-NE 3.17Å; E451-R455 PolarHBondContact OE1-NE 3.08Å; E451-R455 IonicContact OE1-NH2 2.74Å; E451-R455 PolarHBondContact OE1-NH2 2.86Å; L453-R455 VanDerWaalsContact C-N 3.31Å; L453-R455 PolarHBondContact O-N 2.95Å; R455-F459 WeakPolarHBondContact O-CB 3.27Å; R455-F459 PolarHBondContact O-N 2.9Å |
| 456 | T | 97.7 | Very high | 97.8 | Very high | 22 Ų | 22 | 18.5 Ų | 18.5 | 14% | 0.135 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.3 | -50.2 | 176.1 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | I159 T353 Q452 L453 A454 F459 I460 | I159-T456 HydrophobicContact CD1-CG2 3.48Å; I159-T456 VanDerWaalsContact CD1-CG2 3.48Å; T353-T456 HydrophobicContact CG2-CG2 3.63Å; Q452-T456 PolarHBondContact O-N 2.98Å; Q452-T456 PolarHBondContact O-OG1 3.28Å; L453-T456 WeakPolarHBondContact O-CB 3.34Å; L453-T456 PolarHBondContact O-N 2.83Å; A454-T456 VanDerWaalsContact C-N 3.31Å; A454-T456 PolarHBondContact O-N 2.8Å; T456-F459 PolarHBondContact O-N 3.21Å; T456-I460 HydrophobicContact CG2-CD1 3.75Å; T456-I460 WeakPolarHBondContact O-CG1 3.42Å; T456-I460 PolarHBondContact O-N 3.01Å |
| 457 | E | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 176.6 | -72.2 | 173.4 | -174.5 | 0 | 0 | 111.5 | I159 I191 T316 L453 A454 F459 I460 F461 | I159-E457 HydrophobicContact CD1-CG 3.98Å; I159-E457 HydrophobicContact CG1-CG 4.34Å; I159-E457 HydrophobicContact CG2-CG 4.48Å; I191-E457 WeakPolarHBondContact CB-OE1 3.21Å; I191-E457 HydrophobicContact CG1-CG 4.46Å; I191-E457 HydrophobicContact CG2-CG 4.43Å; I191-E457 WeakPolarHBondContact CG2-OE1 3.33Å; T316-E457 HydrophobicContact CG2-CB 3.9Å; T316-E457 VanDerWaalsContact CG2-OE2 3.28Å; T316-E457 WeakPolarHBondContact CG2-OE2 3.37Å; T316-E457 PolarHBondContact OG1-OE2 3.27Å; T316-E457 VanDerWaalsContact OG1-OE2 3.1Å; L453-E457 HydrophobicContact CD1-CG 4.12Å; L453-E457 WeakPolarHBondContact CD1-OE1 3.44Å; L453-E457 HydrophobicContact CG-CG 4.35Å; L453-E457 WeakPolarHBondContact CG-OE1 3.47Å; L453-E457 WeakPolarHBondContact O-CG 3.04Å; L453-E457 PolarHBondContact O-N 2.93Å; A454-E457 PolarHBondContact O-N 2.77Å; E457-F459 VanDerWaalsContact C-N 3.3Å; E457-F459 PolarHBondContact O-N 3.07Å; E457-I460 PolarHBondContact O-N 3.03Å; E457-F461 HydrophobicContact CB-CD2 3.95Å; E457-F461 HydrophobicContact CB-CE2 4.06Å; E457-F461 HydrophobicContact CG-CE2 4.18Å; E457-F461 WeakPolarHBondContact O-CB 3.27Å; E457-F461 VanDerWaalsContact O-CD2 3.24Å; E457-F461 WeakPolarHBondContact O-CD2 3.32Å; E457-F461 PolarHBondContact O-N 2.74Å |
| 458 | L | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57 | -44.5 | 179.6 | -72.3 | 174.2 | 0 | 0 | 0 | 111.6 | T316 T319 L320 I366 Q370 A454 F462 | T316-L458 HydrophobicContact CG2-CD2 3.88Å; T316-L458 HydrophobicContact CG2-CG 4.17Å; T319-L458 HydrophobicContact CG2-CD1 4.04Å; T319-L458 HydrophobicContact CG2-CD2 3.53Å; T319-L458 HydrophobicContact CG2-CG 4.45Å; L320-L458 HydrophobicContact CD2-CD2 3.99Å; L320-L458 HydrophobicContact CG-CD2 3.93Å; I366-L458 HydrophobicContact CG2-CB 4.17Å; Q370-L458 HydrophobicContact CG-CD1 4.26Å; A454-L458 VanDerWaalsContact O-CB 3.25Å; A454-L458 WeakPolarHBondContact O-CB 3.43Å; A454-L458 WeakPolarHBondContact O-CG 3.23Å; A454-L458 PolarHBondContact O-N 3.28Å; L458-F462 WeakPolarHBondContact O-CB 3.26Å; L458-F462 PolarHBondContact O-N 3.29Å; L458-F462 VanDerWaalsContact O-N 3.12Å |
| 459 | F | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.1 | -52.4 | 179.2 | -174.5 | -94.7 | 0 | 0 | 0 | 111.4 | S352 R356 M359 T362 I366 R455 T456 E457 T463 | S352-F459 VanDerWaalsContact O-CE1 3.24Å; S352-F459 WeakPolarHBondContact O-CE1 3.25Å; R356-F459 VanDerWaalsContact CA-CZ 3.46Å; R356-F459 HydrophobicContact CB-CD1 4.45Å; R356-F459 HydrophobicContact CB-CD2 4.04Å; R356-F459 HydrophobicContact CB-CE1 4.11Å; R356-F459 HydrophobicContact CB-CE2 3.67Å; R356-F459 HydrophobicContact CB-CG 4.42Å; R356-F459 HydrophobicContact CB-CZ 3.7Å; R356-F459 HydrophobicContact CG-CD2 3.75Å; R356-F459 HydrophobicContact CG-CE2 3.64Å; R356-F459 HydrophobicContact CG-CG 4.41Å; R356-F459 HydrophobicContact CG-CZ 4.22Å; M359-F459 HydrophobicContact CE-CZ 4.38Å; M359-F459 HydrophobicContact SD-CZ 3.89Å; T362-F459 HydrophobicContact CG2-CE2 4.27Å; I366-F459 HydrophobicContact CD1-CB 4.3Å; I366-F459 HydrophobicContact CD1-CD2 3.72Å; I366-F459 HydrophobicContact CD1-CG 4.43Å; R455-F459 WeakPolarHBondContact O-CB 3.27Å; R455-F459 PolarHBondContact O-N 2.9Å; T456-F459 PolarHBondContact O-N 3.21Å; E457-F459 VanDerWaalsContact C-N 3.3Å; E457-F459 PolarHBondContact O-N 3.07Å; F459-T463 HydrophobicContact CD1-CG2 4.46Å; F459-T463 HydrophobicContact CD2-CG2 4.31Å; F459-T463 HydrophobicContact CE1-CG2 4.14Å; F459-T463 HydrophobicContact CE2-CG2 3.99Å; F459-T463 HydrophobicContact CZ-CG2 3.91Å; F459-T463 VanDerWaalsContact O-CB 3.31Å; F459-T463 WeakPolarHBondContact O-CB 3.23Å; F459-T463 VanDerWaalsContact O-CG2 3.27Å; F459-T463 WeakPolarHBondContact O-CG2 3.49Å; F459-T463 PolarHBondContact O-N 3.45Å; F459-T463 PolarHBondContact O-OG1 3.46Å |
| 460 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.6 | -47.4 | -173.5 | -64.8 | 172.7 | 0 | 0 | 0 | 111.7 | E156 I159 Q160 A163 T353 T456 E457 T463 S464 | E156-I460 HydrophobicContact CG-CD1 3.66Å; I159-I460 HydrophobicContact CB-CD1 4.22Å; I159-I460 HydrophobicContact CG2-CB 3.83Å; I159-I460 HydrophobicContact CG2-CD1 3.89Å; I159-I460 HydrophobicContact CG2-CG1 4.45Å; I159-I460 HydrophobicContact CG2-CG2 3.86Å; Q160-I460 HydrophobicContact CG-CD1 4.3Å; Q160-I460 HydrophobicContact CG-CG2 4.11Å; A163-I460 HydrophobicContact CB-CG2 4.09Å; T353-I460 HydrophobicContact CG2-CD1 4.12Å; T353-I460 HydrophobicContact CG2-CG1 4.37Å; T456-I460 HydrophobicContact CG2-CD1 3.75Å; T456-I460 WeakPolarHBondContact O-CG1 3.42Å; T456-I460 PolarHBondContact O-N 3.01Å; E457-I460 PolarHBondContact O-N 3.03Å; I460-T463 PolarHBondContact O-OG1 3.03Å; I460-S464 WeakPolarHBondContact O-CB 3.5Å; I460-S464 PolarHBondContact O-N 3.22Å; I460-S464 PolarHBondContact O-OG 3.07Å |
| 461 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 177.3 | -74 | -58.6 | 0 | 0 | 0 | 111.3 | I159 E162 A163 L166 A187 V188 I191 L320 E457 T463 S464 L465 | I159-F461 HydrophobicContact CG2-CE2 4.24Å; I159-F461 HydrophobicContact CG2-CZ 4.43Å; E162-F461 HydrophobicContact CB-CE1 4.38Å; E162-F461 HydrophobicContact CB-CZ 4.31Å; E162-F461 HydrophobicContact CG-CE1 4.3Å; E162-F461 HydrophobicContact CG-CZ 4.14Å; A163-F461 HydrophobicContact CB-CD1 3.75Å; A163-F461 HydrophobicContact CB-CE1 3.94Å; L166-F461 HydrophobicContact CD2-CD1 3.93Å; L166-F461 HydrophobicContact CD2-CE1 4.32Å; A187-F461 HydrophobicContact CB-CE1 4Å; A187-F461 HydrophobicContact CB-CZ 4.15Å; V188-F461 HydrophobicContact CG2-CD2 4.38Å; V188-F461 HydrophobicContact CG2-CE2 4.13Å; I191-F461 HydrophobicContact CD1-CZ 4.19Å; I191-F461 HydrophobicContact CG1-CE2 4.11Å; I191-F461 HydrophobicContact CG1-CZ 3.99Å; L320-F461 HydrophobicContact CD1-CB 3.73Å; L320-F461 HydrophobicContact CD1-CD2 3.9Å; L320-F461 HydrophobicContact CD1-CG 4.04Å; L320-F461 HydrophobicContact CD2-CB 3.93Å; E457-F461 HydrophobicContact CB-CD2 3.95Å; E457-F461 HydrophobicContact CB-CE2 4.06Å; E457-F461 HydrophobicContact CG-CE2 4.18Å; E457-F461 WeakPolarHBondContact O-CB 3.27Å; E457-F461 VanDerWaalsContact O-CD2 3.24Å; E457-F461 WeakPolarHBondContact O-CD2 3.32Å; E457-F461 PolarHBondContact O-N 2.74Å; F461-T463 PolarHBondContact O-N 3.01Å; F461-S464 PolarHBondContact O-N 3.38Å; F461-L465 WeakPolarHBondContact O-CB 3.33Å; F461-L465 WeakPolarHBondContact O-CG 3.43Å; F461-L465 PolarHBondContact O-N 2.96Å |
| 462 | F | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | -179.3 | 177.5 | -103.4 | 0 | 0 | 0 | 111.9 | L320 A323 M327 V337 T362 V365 I366 L458 S464 L465 V466 | L320-F462 HydrophobicContact CD2-CB 4.25Å; A323-F462 HydrophobicContact CB-CD2 3.67Å; A323-F462 HydrophobicContact CB-CE2 3.87Å; M327-F462 HydrophobicContact CE-CE2 4.47Å; M327-F462 HydrophobicContact CE-CZ 4.24Å; M327-F462 HydrophobicContact CG-CE2 3.7Å; M327-F462 HydrophobicContact CG-CZ 4.02Å; M327-F462 HydrophobicContact SD-CE2 3.99Å; M327-F462 HydrophobicContact SD-CZ 3.67Å; V337-F462 HydrophobicContact CG1-CE1 3.84Å; V337-F462 HydrophobicContact CG1-CZ 4.27Å; T362-F462 HydrophobicContact CG2-CD1 4.13Å; T362-F462 HydrophobicContact CG2-CE1 4.01Å; V365-F462 HydrophobicContact CG1-CE1 4.19Å; V365-F462 HydrophobicContact CG1-CZ 3.72Å; I366-F462 HydrophobicContact CD1-CB 4.48Å; I366-F462 HydrophobicContact CD1-CD1 3.92Å; I366-F462 HydrophobicContact CD1-CG 4.47Å; I366-F462 HydrophobicContact CG1-CB 4.47Å; I366-F462 HydrophobicContact CG1-CD1 3.73Å; I366-F462 HydrophobicContact CG1-CE1 4.16Å; I366-F462 HydrophobicContact CG1-CG 4.14Å; L458-F462 WeakPolarHBondContact O-CB 3.26Å; L458-F462 PolarHBondContact O-N 3.29Å; L458-F462 VanDerWaalsContact O-N 3.12Å; F462-S464 PolarHBondContact O-N 3.07Å; F462-L465 PolarHBondContact O-N 2.83Å; F462-V466 HydrophobicContact CD2-CG2 4.17Å; F462-V466 HydrophobicContact CE1-CG2 4.38Å; F462-V466 HydrophobicContact CE2-CG2 3.85Å; F462-V466 HydrophobicContact CZ-CG2 3.97Å; F462-V466 WeakPolarHBondContact O-CB 3.4Å; F462-V466 WeakPolarHBondContact O-CG2 3.48Å; F462-V466 PolarHBondContact O-N 2.96Å |
| 463 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -179.9 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | P351 M359 T362 F459 I460 F461 L465 V466 Q467 | P351-T463 WeakPolarHBondContact CB-OG1 3.48Å; P351-T463 WeakPolarHBondContact CG-OG1 3.49Å; M359-T463 HydrophobicContact CE-CG2 4.02Å; T362-T463 HydrophobicContact CG2-CG2 3.68Å; F459-T463 HydrophobicContact CD1-CG2 4.46Å; F459-T463 HydrophobicContact CD2-CG2 4.31Å; F459-T463 HydrophobicContact CE1-CG2 4.14Å; F459-T463 HydrophobicContact CE2-CG2 3.99Å; F459-T463 HydrophobicContact CZ-CG2 3.91Å; F459-T463 VanDerWaalsContact O-CB 3.31Å; F459-T463 WeakPolarHBondContact O-CB 3.23Å; F459-T463 VanDerWaalsContact O-CG2 3.27Å; F459-T463 WeakPolarHBondContact O-CG2 3.49Å; F459-T463 PolarHBondContact O-N 3.45Å; F459-T463 PolarHBondContact O-OG1 3.46Å; I460-T463 PolarHBondContact O-OG1 3.03Å; F461-T463 PolarHBondContact O-N 3.01Å; T463-L465 PolarHBondContact O-N 3.28Å; T463-V466 PolarHBondContact O-N 2.86Å; T463-Q467 WeakPolarHBondContact O-CA 3.29Å; T463-Q467 PolarHBondContact O-N 3.37Å; T463-Q467 WeakPolarHBondContact O-CB 3.36Å |
| 464 | S | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 19 Ų | 19 | 6% | 0.063 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | P351 I460 F461 F462 K468 | P351-S464 WeakPolarHBondContact CD-OG 3.44Å; I460-S464 WeakPolarHBondContact O-CB 3.5Å; I460-S464 PolarHBondContact O-N 3.22Å; I460-S464 PolarHBondContact O-OG 3.07Å; F461-S464 PolarHBondContact O-N 3.38Å; F462-S464 PolarHBondContact O-N 3.07Å; S464-K468 VanDerWaalsContact O-CG 3.31Å; S464-K468 PolarHBondContact O-N 2.58Å; S464-K468 WeakPolarHBondContact O-CG 3.09Å |
| 465 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 178 | -69.1 | 175.5 | 0 | 0 | 0 | 111.9 | L166 I170 L324 F461 F462 T463 Q467 K468 F469 F471 | L166-L465 HydrophobicContact CD2-CD1 4.04Å; L166-L465 HydrophobicContact CD2-CD2 4.15Å; L166-L465 HydrophobicContact CD2-CG 4.41Å; L166-L465 HydrophobicContact CG-CD2 4.16Å; I170-L465 HydrophobicContact CD1-CD2 3.59Å; L324-L465 HydrophobicContact CD1-CD1 4.36Å; L324-L465 HydrophobicContact CD2-CB 4.46Å; L324-L465 HydrophobicContact CD2-CD1 4.09Å; F461-L465 WeakPolarHBondContact O-CB 3.33Å; F461-L465 WeakPolarHBondContact O-CG 3.43Å; F461-L465 PolarHBondContact O-N 2.96Å; F462-L465 PolarHBondContact O-N 2.83Å; T463-L465 PolarHBondContact O-N 3.28Å; L465-Q467 VanDerWaalsContact C-N 3.33Å; L465-K468 PolarHBondContact O-N 3.49Å; L465-F469 PolarHBondContact O-N 3.18Å; L465-F471 HydrophobicContact CB-CE2 3.98Å; L465-F471 HydrophobicContact CB-CZ 3.99Å; L465-F471 HydrophobicContact CD2-CZ 4.5Å |
| 466 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.7 | -26 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | M327 Q334 V337 Q338 I341 F462 T463 K468 R501 | M327-V466 HydrophobicContact CG-CG2 4.2Å; Q334-V466 HydrophobicContact CG-CG1 4.36Å; V337-V466 HydrophobicContact CB-CG1 4.39Å; V337-V466 HydrophobicContact CG1-CB 4.44Å; V337-V466 HydrophobicContact CG1-CG1 3.75Å; Q338-V466 HydrophobicContact CG-CG1 3.5Å; I341-V466 HydrophobicContact CD1-CB 4.14Å; I341-V466 HydrophobicContact CD1-CG1 4.07Å; F462-V466 HydrophobicContact CD2-CG2 4.17Å; F462-V466 HydrophobicContact CE1-CG2 4.38Å; F462-V466 HydrophobicContact CE2-CG2 3.85Å; F462-V466 HydrophobicContact CZ-CG2 3.97Å; F462-V466 WeakPolarHBondContact O-CB 3.4Å; F462-V466 WeakPolarHBondContact O-CG2 3.48Å; F462-V466 PolarHBondContact O-N 2.96Å; T463-V466 PolarHBondContact O-N 2.86Å; V466-K468 VanDerWaalsContact C-N 3.33Å; V466-R501 WeakPolarHBondContact O-CD 3.44Å; V466-R501 PolarHBondContact O-NH1 3.43Å; V466-R501 VanDerWaalsContact O-CD 3.31Å |
| 467 | Q | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 170.2 | -176.4 | -172.9 | 56.5 | 0 | 0 | 110.8 | I341 G346 Q347 Q349 T463 L465 R501 | I341-Q467 HydrophobicContact CG2-CB 3.83Å; I341-Q467 HydrophobicContact CG2-CG 3.79Å; G346-Q467 PolarHBondContact O-NE2 2.74Å; Q347-Q467 PolarHBondContact NE2-O 2.99Å; Q347-Q467 VanDerWaalsContact NE2-O 3.08Å; Q347-Q467 PolarHBondContact OE1-O 2.94Å; Q349-Q467 PolarHBondContact O-NE2 2.81Å; T463-Q467 WeakPolarHBondContact O-CA 3.29Å; T463-Q467 PolarHBondContact O-N 3.37Å; T463-Q467 WeakPolarHBondContact O-CB 3.36Å; L465-Q467 VanDerWaalsContact C-N 3.33Å; Q467-R501 WeakPolarHBondContact O-CD 3.38Å; Q467-R501 PolarHBondContact O-NH1 3.28Å; Q467-R501 VanDerWaalsContact O-NH1 3.09Å |
| 468 | K | 97.7 | Very high | 95.6 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -94.1 | -24.2 | -171.5 | -62.9 | -65.5 | 173.4 | -162.2 | 0 | 114.8 | T167 Q347 S464 L465 V466 P500 R501 | T167-K468 HydrophobicContact CG2-CB 3.87Å; T167-K468 HydrophobicContact CG2-CG 3.75Å; Q347-K468 PolarHBondContact O-NZ 3.48Å; S464-K468 VanDerWaalsContact O-CG 3.31Å; S464-K468 PolarHBondContact O-N 2.58Å; S464-K468 WeakPolarHBondContact O-CG 3.09Å; L465-K468 PolarHBondContact O-N 3.49Å; V466-K468 VanDerWaalsContact C-N 3.33Å; K468-P500 WeakPolarHBondContact O-CA 3.48Å; K468-R501 PolarHBondContact O-N 3.13Å |
| 469 | F | 98.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149.1 | -175.3 | -53.5 | -75.4 | 0 | 0 | 0 | 112.7 | T167 I170 K171 Q338 L465 F471 A498 V499 P500 R501 | T167-F469 HydrophobicContact CG2-CE2 3.65Å; T167-F469 HydrophobicContact CG2-CZ 3.94Å; T167-F469 WeakPolarHBondContact O-CZ 3.47Å; I170-F469 HydrophobicContact CB-CE2 4.19Å; I170-F469 HydrophobicContact CB-CZ 4.35Å; I170-F469 HydrophobicContact CG2-CD2 4.17Å; I170-F469 HydrophobicContact CG2-CE1 4.41Å; I170-F469 HydrophobicContact CG2-CE2 3.84Å; I170-F469 HydrophobicContact CG2-CZ 3.98Å; K171-F469 HydrophobicContact CB-CE1 4.29Å; K171-F469 HydrophobicContact CB-CZ 3.95Å; Q338-F469 PolarHBondContact NE2-O 3.4Å; L465-F469 PolarHBondContact O-N 3.18Å; F469-F471 HydrophobicContact CG-CZ 4.49Å; F469-F471 HydrophobicContact CD2-CZ 4.26Å; F469-F471 HydrophobicContact CB-CZ 3.98Å; F469-F471 HydrophobicContact CB-CD2 4.47Å; F469-F471 HydrophobicContact CB-CE2 3.96Å; F469-A498 HydrophobicContact CB-CB 4.04Å; F469-A498 HydrophobicContact CD1-CB 3.92Å; F469-A498 HydrophobicContact CG-CB 3.93Å; F469-V499 CarbonylContact C-O 3.52Å; F469-V499 VanDerWaalsContact CA-O 3.26Å; F469-V499 WeakPolarHBondContact CA-O 3.46Å; F469-P500 HydrophobicContact CD1-CG 4.38Å; F469-P500 HydrophobicContact CE1-CG 4.28Å; F469-R501 WeakPolarHBondContact O-CD 3.37Å |
| 470 | T | 98.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116 | 159.6 | -62.7 | 0 | 0 | 0 | 0 | 108.1 | Q338 V499 | Q338-T470 PolarHBondContact NE2-OG1 3.21Å; T470-V499 PolarHBondContact N-O 3.08Å; T470-V499 PolarHBondContact O-N 3.42Å |
| 471 | F | 98.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 131.6 | 178 | -65.3 | -83.8 | 0 | 0 | 0 | 110.5 | L324 A328 Q334 L465 F469 L496 C497 A498 | L324-F471 HydrophobicContact CD1-CD1 4.42Å; L324-F471 HydrophobicContact CD1-CE1 3.93Å; L324-F471 HydrophobicContact CD1-CZ 4.15Å; L324-F471 HydrophobicContact CD2-CD1 4.44Å; L324-F471 HydrophobicContact CD2-CD2 3.94Å; L324-F471 HydrophobicContact CD2-CE1 4.16Å; L324-F471 HydrophobicContact CD2-CE2 3.63Å; L324-F471 HydrophobicContact CD2-CG 4.34Å; L324-F471 HydrophobicContact CD2-CZ 3.75Å; A328-F471 HydrophobicContact CB-CB 4.42Å; Q334-F471 PolarHBondContact NE2-O 2.87Å; L465-F471 HydrophobicContact CB-CE2 3.98Å; L465-F471 HydrophobicContact CB-CZ 3.99Å; L465-F471 HydrophobicContact CD2-CZ 4.5Å; F469-F471 HydrophobicContact CG-CZ 4.49Å; F469-F471 HydrophobicContact CD2-CZ 4.26Å; F469-F471 HydrophobicContact CB-CZ 3.98Å; F469-F471 HydrophobicContact CB-CD2 4.47Å; F469-F471 HydrophobicContact CB-CE2 3.96Å; F471-L496 HydrophobicContact CD1-CD1 4.46Å; F471-C497 WeakPolarHBondContact CA-O 3.45Å; F471-A498 HydrophobicContact CD1-CB 4.12Å; F471-A498 HydrophobicContact CE1-CB 3.8Å |
| 472 | R | 96.4 | Very high | 94 | Very high | 113 Ų | 113 | 56.4 Ų | 56.4 | 43% | 0.426 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.8 | 178.9 | 64.4 | 178.8 | 179.3 | 155.1 | -1.9 | 111.7 | C497 V499 | R472-C497 HydrophobicContact CG-CB 3.87Å; R472-C497 PolarHBondContact N-O 3Å; R472-C497 PolarHBondContact O-N 3.28Å; R472-V499 HydrophobicContact CG-CG2 4.37Å; R472-V499 VanDerWaalsContact NE-CG2 3.29Å |
| 473 | P | 95.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | trans | -59.2 | 148.7 | 168.2 | 25.3 | -35.5 | 0 | 0 | 0 | 111.5 | L479 | P473-L479 HydrophobicContact CB-CD1 3.79Å; P473-L479 HydrophobicContact CB-CG 3.87Å; P473-L479 HydrophobicContact CG-CD1 4.48Å | ||
| 474 | P | 94 | Very high | 93.4 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -57.1 | 144.8 | 162.8 | -20.8 | 31.8 | 0 | 0 | 0 | 110.7 | P177 N476 E477 H495 | P177-P474 HydrophobicContact CB-CB 4.28Å; P177-P474 HydrophobicContact CB-CG 3.97Å; P177-P474 HydrophobicContact CG-CB 3.97Å; P177-P474 HydrophobicContact CG-CG 4.2Å; P474-N476 PolarHBondContact O-N 3Å; P474-E477 HydrophobicContact CB-CB 4.06Å; P474-E477 HydrophobicContact CB-CG 4.21Å; P474-E477 HydrophobicContact CG-CB 4.14Å; P474-E477 HydrophobicContact CG-CG 4.4Å; P474-E477 PolarHBondContact O-N 3.34Å; P474-H495 VanDerWaalsContact CD-O 3.3Å; P474-H495 HydrophobicContact CG-CB 3.9Å; P474-H495 WeakPolarHBondContact CD-O 3.47Å | ||
| 475 | N | 87.3 | Confident | 93 | Very high | 142 Ų | 142 | 64.2 Ų | 64.2 | 76% | 0.759 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.5 | -173.7 | -69 | -20.7 | 0 | 0 | 0 | 114.6 | ||
| 476 | N | 84.3 | Confident | 92.6 | Very high | 164 Ų | 164 | 64.5 Ų | 64.5 | 88% | 0.877 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 7.1 | -175.6 | -62.3 | -25.1 | 0 | 0 | 0 | 113.4 | P474 | P474-N476 PolarHBondContact O-N 3Š|
| 477 | E | 86.6 | Confident | 92.2 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | trans | -121.9 | 131.5 | -176.5 | -68.2 | -175.3 | -148.5 | 0 | 0 | 111.4 | P474 H495 | P474-E477 HydrophobicContact CB-CB 4.06Å; P474-E477 HydrophobicContact CB-CG 4.21Å; P474-E477 HydrophobicContact CG-CB 4.14Å; P474-E477 HydrophobicContact CG-CG 4.4Å; P474-E477 PolarHBondContact O-N 3.34Å; E477-H495 IonicContact OE1-ND1 3.81Å; E477-H495 IonicContact OE2-ND1 3.7Å | ||
| 478 | K | 87 | Confident | 92 | Very high | 204 Ų | 204 | 66.8 Ų | 66.8 | 89% | 0.887 | 33% | 0.33 | S | S | * | . | trans | -91.9 | 115.1 | 170.7 | -170.9 | 175.6 | -177.6 | 176.8 | 0 | 109.2 | ||||
| 479 | L | 91 | Very high | 91.9 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | trans | -62.7 | 144.2 | 172.4 | -68.2 | 173.4 | 0 | 0 | 0 | 110.6 | L325 A328 L329 P473 H494 L496 | L325-L479 HydrophobicContact CD1-CB 4.02Å; L325-L479 HydrophobicContact CD1-CD1 4.15Å; L325-L479 HydrophobicContact CD1-CD2 4.02Å; L325-L479 HydrophobicContact CD1-CG 4.28Å; A328-L479 HydrophobicContact CB-CD1 3.47Å; A328-L479 VanDerWaalsContact CB-CD1 3.47Å; L329-L479 HydrophobicContact CD2-CB 3.65Å; L329-L479 HydrophobicContact CG-CB 4.23Å; P473-L479 HydrophobicContact CB-CD1 3.79Å; P473-L479 HydrophobicContact CB-CG 3.87Å; P473-L479 HydrophobicContact CG-CD1 4.48Å; L479-H494 HydrophobicContact CD2-CB 4.13Å; L479-L496 HydrophobicContact CD1-CD2 3.77Å; L479-L496 HydrophobicContact CD2-CD2 3.96Å | ||
| 480 | S | 88.3 | Confident | 91.7 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | trans | -132.5 | 132.9 | -177.9 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | K482 | S480-K482 PolarHBondContact OG-N 3.42Å; S480-K482 WeakPolarHBondContact OG-CG 3.47Å; S480-K482 WeakPolarHBondContact OG-CD 3.31Å; S480-K482 PolarHBondContact O-N 3Å; S480-K482 VanDerWaalsContact OG-CG 3.24Å | ||
| 481 | P | 88.4 | Confident | 91.6 | Very high | 76 Ų | 76 | 61.2 Ų | 61.2 | 49% | 0.494 | 30% | 0.301 | S | S | . | . | trans | -76.7 | 31.3 | 173.2 | 35.2 | -37.1 | 0 | 0 | 0 | 111.9 | W322 L329 | W322-P481 HydrophobicContact CZ3-CB 4.42Å; L329-P481 HydrophobicContact CD1-CB 4.45Å | ||
| 482 | K | 92.1 | Very high | 91.4 | Very high | 141 Ų | 141 | 63.5 Ų | 63.5 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | trans | -72.9 | 147.9 | 175.7 | -84.3 | 174 | -175.6 | -176.5 | 0 | 108.5 | S480 V492 | S480-K482 PolarHBondContact OG-N 3.42Å; S480-K482 WeakPolarHBondContact OG-CG 3.47Å; S480-K482 WeakPolarHBondContact OG-CD 3.31Å; S480-K482 PolarHBondContact O-N 3Å; S480-K482 VanDerWaalsContact OG-CG 3.24Å; K482-V492 HydrophobicContact CB-CG1 3.98Å; K482-V492 HydrophobicContact CB-CG2 4.01Å; K482-V492 PolarHBondContact O-N 3.47Å | ||
| 483 | F | 93 | Very high | 91.2 | Very high | 60 Ų | 60 | 62 Ų | 62 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.7 | -177.3 | 60.3 | -96.1 | 0 | 0 | 0 | 112.4 | Q63 H65 L66 W322 M485 I489 S490 | Q63-F483 HydrophobicContact CG-CZ 4.46Å; H65-F483 AromaticContact CE1-CE2 3.58Å; H65-F483 AromaticContact CE1-CZ 3.45Å; H65-F483 VanDerWaalsContact CE1-CZ 3.45Å; H65-F483 WeakPolarHBondContact CE1-CZ 3.05Å; H65-F483 AromaticContact NE2-CZ 3.97Å; L66-F483 HydrophobicContact CD1-CE1 4.17Å; L66-F483 HydrophobicContact CD1-CZ 3.94Å; W322-F483 HydrophobicContact CH2-CB 4.28Å; W322-F483 HydrophobicContact CZ2-CB 3.97Å; F483-M485 HydrophobicContact CE2-CB 4.46Å; F483-I489 HydrophobicContact CB-CG2 3.5Å; F483-I489 VanDerWaalsContact CB-CG2 3.5Å; F483-I489 HydrophobicContact CD2-CG2 4.04Å; F483-I489 HydrophobicContact CG-CG2 3.78Å; F483-S490 WeakPolarHBondContact CA-O 3.29Å; F483-S490 WeakPolarHBondContact CB-O 3.35Å; F483-S490 CarbonylContact C-O 3.59Å |
| 484 | R | 91.7 | Very high | 91 | Very high | 83 Ų | 83 | 60.3 Ų | 60.3 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.6 | 165.5 | -174.1 | 177.7 | 53.6 | 165.1 | -1.1 | 107.6 | D216 Y220 S490 | D216-R484 VanDerWaalsContact CG-NH2 3.31Å; D216-R484 IonicContact OD1-CZ 3.65Å; D216-R484 IonicContact OD1-NH1 3.62Å; D216-R484 IonicContact OD1-NH2 3.85Å; D216-R484 PolarHBondContact OD1-NH2 3.26Å; D216-R484 IonicContact OD2-CZ 2.95Å; D216-R484 IonicContact OD2-NH1 3.83Å; D216-R484 PolarHBondContact OD2-NH1 2.87Å; D216-R484 IonicContact OD2-NH2 2.66Å; D216-R484 PolarHBondContact OD2-NH2 3.47Å; Y220-R484 HydrophobicContact CD1-CB 4.48Å; Y220-R484 HydrophobicContact CD1-CG 3.48Å; Y220-R484 VanDerWaalsContact CD1-CG 3.48Å; Y220-R484 VanDerWaalsContact CD2-CZ 3.47Å; Y220-R484 HydrophobicContact CE1-CB 4.01Å; Y220-R484 HydrophobicContact CE1-CG 3.45Å; Y220-R484 VanDerWaalsContact CE1-CG 3.45Å; Y220-R484 HydrophobicContact CG-CG 4.35Å; Y220-R484 PolarHBondContact OH-NE 2.92Å; Y220-R484 PolarHBondContact OH-NH2 3.09Å; R484-S490 PolarHBondContact N-O 3.22Å; R484-S490 PolarHBondContact O-N 2.97Å |
| 485 | M | 89.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.9 | -178 | -171.7 | 68.2 | 157.6 | 0 | 0 | 110.6 | E62 S64 H65 P377 F483 I489 | E62-M485 VanDerWaalsContact O-CB 3.28Å; E62-M485 WeakPolarHBondContact O-CB 3.41Å; S64-M485 WeakPolarHBondContact OG-CE 3.49Å; H65-M485 HydrophobicContact CB-CE 4.45Å; H65-M485 WeakPolarHBondContact ND1-CE 3.2Å; P377-M485 HydrophobicContact CG-CE 4.44Å; F483-M485 HydrophobicContact CE2-CB 4.46Å; M485-I489 HydrophobicContact SD-CD1 4.25Å; M485-I489 HydrophobicContact SD-CG1 3.7Å |
| 486 | G | 90.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -132.5 | -148.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T219 A223 T488 | T219-G486 CarbonylContact O-C 3.5Å; T219-G486 WeakPolarHBondContact O-CA 3.4Å; A223-G486 VanDerWaalsContact CB-C 3.49Å; G486-T488 CarbonylContact C-O 3.58Å; G486-T488 WeakPolarHBondContact CA-O 3.41Å; G486-T488 PolarHBondContact N-O 2.9Å |
| 487 | I | 89.4 | Confident | 92.2 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -58.9 | -40 | 160.6 | -58.9 | 167 | 0 | 0 | 0 | 109.1 | T219 E222 F310 I376 | T219-I487 HydrophobicContact CG2-CB 4.18Å; T219-I487 PolarHBondContact O-N 2.85Å; E222-I487 HydrophobicContact CB-CD1 3.76Å; E222-I487 HydrophobicContact CB-CG1 3.83Å; E222-I487 VanDerWaalsContact CD-CD1 3.49Å; E222-I487 HydrophobicContact CG-CD1 4Å; E222-I487 HydrophobicContact CG-CG1 4.06Å; E222-I487 VanDerWaalsContact OE2-CD1 3.25Å; E222-I487 WeakPolarHBondContact OE2-CD1 3.46Å; F310-I487 HydrophobicContact CZ-CD1 3.94Å; I376-I487 HydrophobicContact CD1-CG2 4.37Å; I376-I487 WeakPolarHBondContact CD1-O 3.28Å |
| 488 | T | 94.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -97.5 | 154 | 169.7 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | T219 E314 T315 I375 I376 G486 | T219-T488 WeakPolarHBondContact CG2-OG1 3.38Å; E314-T488 HydrophobicContact CG-CG2 3.92Å; E314-T488 PolarHBondContact OE1-OG1 3.45Å; T315-T488 HydrophobicContact CG2-CG2 4.27Å; I375-T488 CarbonylContact O-C 3.57Å; I375-T488 WeakPolarHBondContact O-CA 3.4Å; I376-T488 HydrophobicContact CD1-CG2 3.57Å; G486-T488 CarbonylContact C-O 3.58Å; G486-T488 WeakPolarHBondContact CA-O 3.41Å; G486-T488 PolarHBondContact N-O 2.9Å |
| 489 | I | 94.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 108.5 | 162.4 | -63 | 178.6 | 0 | 0 | 0 | 107.9 | H65 T318 W322 I375 P377 F483 M485 | H65-I489 WeakPolarHBondContact CE1-CD1 3.36Å; T318-I489 VanDerWaalsContact CG2-O 3.29Å; T318-I489 WeakPolarHBondContact CG2-O 3.3Å; W322-I489 HydrophobicContact CZ2-CG2 4.18Å; W322-I489 PolarHBondContact NE1-O 3.31Å; I375-I489 PolarHBondContact O-N 3.16Å; P377-I489 HydrophobicContact CB-CD1 3.77Å; P377-I489 HydrophobicContact CG-CD1 3.51Å; P377-I489 HydrophobicContact CG-CG1 3.96Å; F483-I489 HydrophobicContact CB-CG2 3.5Å; F483-I489 VanDerWaalsContact CB-CG2 3.5Å; F483-I489 HydrophobicContact CD2-CG2 4.04Å; F483-I489 HydrophobicContact CG-CG2 3.78Å; M485-I489 HydrophobicContact SD-CD1 4.25Å; M485-I489 HydrophobicContact SD-CG1 3.7Å |
| 490 | S | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 154.6 | 176 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | Y220 F483 R484 | Y220-S490 WeakPolarHBondContact OH-CB 3.29Å; Y220-S490 PolarHBondContact OH-OG 3.47Å; F483-S490 WeakPolarHBondContact CA-O 3.29Å; F483-S490 WeakPolarHBondContact CB-O 3.35Å; F483-S490 CarbonylContact C-O 3.59Å; R484-S490 PolarHBondContact N-O 3.22Å; R484-S490 PolarHBondContact O-N 2.97Å |
| 491 | P | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 147.5 | 170.2 | 28.4 | -32.8 | 0 | 0 | 0 | 109.3 | R321 W322 L325 | R321-P491 HydrophobicContact CB-CG 3.84Å; R321-P491 PolarHBondContact NH2-O 2.78Å; W322-P491 HydrophobicContact CD2-CB 4.27Å; W322-P491 HydrophobicContact CD2-CG 4.36Å; W322-P491 HydrophobicContact CE3-CB 4.31Å; W322-P491 HydrophobicContact CH2-CB 4.23Å; W322-P491 HydrophobicContact CZ2-CB 4.19Å; W322-P491 HydrophobicContact CZ3-CB 4.3Å; L325-P491 HydrophobicContact CD2-CB 3.71Å |
| 492 | V | 93.5 | Very high | 93 | Very high | 50 Ų | 50 | 46 Ų | 46 | 30% | 0.303 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 154.2 | 168.4 | -65.1 | 0 | 0 | 0 | 0 | 110 | K482 H494 | K482-V492 HydrophobicContact CB-CG1 3.98Å; K482-V492 HydrophobicContact CB-CG2 4.01Å; K482-V492 PolarHBondContact O-N 3.47Å; V492-H494 PolarHBondContact O-N 3Å; V492-H494 PolarHBondContact O-ND1 2.93Å |
| 493 | S | 92.1 | Very high | 93 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 57% | 0.566 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -54.4 | 132.5 | 172.9 | 172.6 | 0 | 0 | 0 | 0 | 109.2 | D179 | D179-S493 PolarHBondContact OD2-OG 2.68Š|
| 494 | H | 92.8 | Very high | 93 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 7% | 0.069 | 23% | 0.225 | C | C | . | . | trans | -152.8 | 150.5 | -176.4 | 61 | -84.7 | 0 | 0 | 0 | 108.7 | L479 V492 | L479-H494 HydrophobicContact CD2-CB 4.13Å; V492-H494 PolarHBondContact O-N 3Å; V492-H494 PolarHBondContact O-ND1 2.93Å | ||
| 495 | H | 95.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 34% | 0.338 | 22% | 0.22 | S | C | . | . | trans | -94.9 | 144.6 | 173.4 | -56.9 | 101.1 | 0 | 0 | 0 | 110.6 | P177 F178 P474 E477 | P177-H495 HydrophobicContact CB-CB 3.95Å; F178-H495 CarbonylContact O-C 2.98Å; F178-H495 VanDerWaalsContact O-CA 3.27Å; F178-H495 WeakPolarHBondContact O-CA 3.33Å; P474-H495 VanDerWaalsContact CD-O 3.3Å; P474-H495 HydrophobicContact CG-CB 3.9Å; P474-H495 WeakPolarHBondContact CD-O 3.47Å; E477-H495 IonicContact OE1-ND1 3.81Å; E477-H495 IonicContact OE2-ND1 3.7Å | ||
| 496 | L | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153 | 170.8 | -62.8 | 177.4 | 0 | 0 | 0 | 109.4 | P177 F178 P180 L324 A328 F471 L479 | P177-L496 WeakPolarHBondContact CA-O 3.49Å; F178-L496 WeakPolarHBondContact CD1-O 3.21Å; F178-L496 WeakPolarHBondContact CE1-O 3.48Å; F178-L496 PolarHBondContact N-O 3.46Å; F178-L496 PolarHBondContact O-N 3.13Å; P180-L496 HydrophobicContact CG-CD1 4.15Å; L324-L496 HydrophobicContact CB-CD1 3.68Å; L324-L496 HydrophobicContact CD1-CD1 4.42Å; A328-L496 HydrophobicContact CB-CD2 3.77Å; F471-L496 HydrophobicContact CD1-CD1 4.46Å; L479-L496 HydrophobicContact CD1-CD2 3.77Å; L479-L496 HydrophobicContact CD2-CD2 3.96Å |
| 497 | C | 97.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.1 | 164.6 | -63.2 | 0 | 0 | 0 | 0 | 108.9 | F471 R472 | F471-C497 WeakPolarHBondContact CA-O 3.45Å; R472-C497 HydrophobicContact CG-CB 3.87Å; R472-C497 PolarHBondContact N-O 3Å; R472-C497 PolarHBondContact O-N 3.28Å |
| 498 | A | 97.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 103.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I170 G175 F178 F469 F471 | I170-A498 HydrophobicContact CG2-CB 3.47Å; I170-A498 VanDerWaalsContact CG2-CB 3.47Å; G175-A498 WeakPolarHBondContact CA-O 3.29Å; F178-A498 HydrophobicContact CE1-CB 3.8Å; F178-A498 HydrophobicContact CZ-CB 4.28Å; F469-A498 HydrophobicContact CB-CB 4.04Å; F469-A498 HydrophobicContact CD1-CB 3.92Å; F469-A498 HydrophobicContact CG-CB 3.93Å; F471-A498 HydrophobicContact CD1-CB 4.12Å; F471-A498 HydrophobicContact CE1-CB 3.8Å |
| 499 | V | 97.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 29% | 0.285 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.4 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | F469 T470 R472 R501 | F469-V499 CarbonylContact C-O 3.52Å; F469-V499 VanDerWaalsContact CA-O 3.26Å; F469-V499 WeakPolarHBondContact CA-O 3.46Å; T470-V499 PolarHBondContact N-O 3.08Å; T470-V499 PolarHBondContact O-N 3.42Å; R472-V499 HydrophobicContact CG-CG2 4.37Å; R472-V499 VanDerWaalsContact NE-CG2 3.29Å; V499-R501 PolarHBondContact O-N 3.14Å |
| 500 | P | 96.3 | Very high | 93.6 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 137.5 | 178.8 | -25.6 | 34.7 | 0 | 0 | 0 | 112.7 | K468 F469 | K468-P500 WeakPolarHBondContact O-CA 3.48Å; F469-P500 HydrophobicContact CD1-CG 4.38Å; F469-P500 HydrophobicContact CE1-CG 4.28Å |
| 501 | R | 94.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 144.9 | 173 | -62.5 | 177.2 | 67.6 | -141.4 | -14.6 | 109.7 | D342 V466 Q467 K468 F469 V499 | D342-R501 IonicContact OD1-CZ 3.57Å; D342-R501 IonicContact OD1-NH1 3.97Å; D342-R501 IonicContact OD1-NH2 3.61Å; D342-R501 PolarHBondContact OD1-NH2 3.43Å; D342-R501 IonicContact OD2-CZ 3.31Å; D342-R501 IonicContact OD2-NH2 2.74Å; D342-R501 PolarHBondContact OD2-NH2 2.93Å; V466-R501 WeakPolarHBondContact O-CD 3.44Å; V466-R501 PolarHBondContact O-NH1 3.43Å; V466-R501 VanDerWaalsContact O-CD 3.31Å; Q467-R501 WeakPolarHBondContact O-CD 3.38Å; Q467-R501 PolarHBondContact O-NH1 3.28Å; Q467-R501 VanDerWaalsContact O-NH1 3.09Å; K468-R501 PolarHBondContact O-N 3.13Å; F469-R501 WeakPolarHBondContact O-CD 3.37Å; V499-R501 PolarHBondContact O-N 3.14Å |
| 502 | V | 72.7 | Confident | 93.3 | Very high | 189 Ų | 189 | 53.4 Ų | 53.4 | 100% | 1.145 | 31% | 0.313 | S | S | * | . | trans | -89.5 | 0 | -179.1 | -176 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 502 of 502 residues in 207.5 ms
(Link to these results)