| 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 | 47.9 | Very low | 48.7 | Very low | 193 Ų | 193 | 115.3 Ų | 115.3 | 95% | 0.951 | 56% | 0.563 | S | S | * | * | 0 | -56.7 | 0 | -134.4 | 161.4 | 172.5 | 0 | 0 | 111 | F3 R4 D5 | M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.43Å; M1-F3 VanDerWaalsContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.05Å; M1-D5 PolarHBondContact O-N 3.39Å | |||
| 2 | L | 46.8 | Very low | 49.4 | Very low | 155 Ų | 155 | 111.3 Ų | 111.3 | 81% | 0.812 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -45.5 | -39.5 | 176.7 | -81 | 154.9 | 0 | 0 | 0 | 116.4 | R4 F6 | L2-R4 PolarHBondContact O-N 3.13Å; L2-F6 WeakPolarHBondContact O-CB 3.23Å; L2-F6 PolarHBondContact O-N 3.5Å; L2-F6 VanDerWaalsContact O-N 3.15Å |
| 3 | F | 42.6 | Very low | 49.9 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 55% | 0.553 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.7 | -33.1 | -178.1 | -158.8 | -100.2 | 0 | 0 | 0 | 113.5 | M1 L7 M305 | M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.43Å; M1-F3 VanDerWaalsContact O-N 3.08Å; F3-L7 HydrophobicContact CD1-CD1 3.7Å; F3-L7 HydrophobicContact CE1-CD1 3.61Å; F3-L7 PolarHBondContact O-N 3.31Å; F3-M305 HydrophobicContact CE2-CE 4.06Å; F3-M305 HydrophobicContact CZ-CE 4.18Å |
| 4 | R | 44.7 | Very low | 49.8 | Very low | 175 Ų | 175 | 108.5 Ų | 108.5 | 66% | 0.66 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.5 | -40.2 | 179.2 | -164.8 | 178.7 | 79.2 | 179.9 | 6.9 | 111 | M1 L2 F6 L7 L8 | M1-R4 PolarHBondContact O-N 3.05Å; L2-R4 PolarHBondContact O-N 3.13Å; R4-F6 VanDerWaalsContact C-N 3.34Å; R4-L7 PolarHBondContact O-N 2.94Å; R4-L8 PolarHBondContact O-N 3.49Å |
| 5 | D | 48.1 | Very low | 50 | Low | 84 Ų | 84 | 106 Ų | 106 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.1 | -34 | -178.9 | -58.3 | -28.6 | 0 | 0 | 0 | 111.3 | M1 L8 T9 | M1-D5 PolarHBondContact O-N 3.39Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-T9 PolarHBondContact O-N 2.83Å; D5-T9 VanDerWaalsContact O-N 3.12Å; D5-T9 PolarHBondContact O-OG1 3.44Å |
| 6 | F | 48.3 | Very low | 50.1 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70 | -40.6 | 173.9 | -161.4 | -103.9 | 0 | 0 | 0 | 113 | L2 R4 L8 T9 I10 M305 | L2-F6 WeakPolarHBondContact O-CB 3.23Å; L2-F6 PolarHBondContact O-N 3.5Å; L2-F6 VanDerWaalsContact O-N 3.15Å; R4-F6 VanDerWaalsContact C-N 3.34Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.82Å; F6-T9 VanDerWaalsContact CA-OG1 3.29Å; F6-T9 WeakPolarHBondContact CA-OG1 3.31Å; F6-T9 PolarHBondContact O-N 3.41Å; F6-T9 PolarHBondContact O-OG1 3.42Å; F6-T9 VanDerWaalsContact O-OG1 3.05Å; F6-I10 HydrophobicContact CD1-CD1 3.71Å; F6-I10 HydrophobicContact CD1-CG1 4.39Å; F6-I10 HydrophobicContact CE1-CD1 3.29Å; F6-I10 HydrophobicContact CE1-CG1 4.18Å; F6-I10 HydrophobicContact CZ-CD1 3.97Å; F6-I10 PolarHBondContact O-N 3.34Å; F6-M305 HydrophobicContact CE1-SD 4.33Å |
| 7 | L | 44.3 | Very low | 50.1 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 40% | 0.403 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 172.5 | -91.2 | 159.8 | 0 | 0 | 0 | 112 | F3 R4 T9 N11 | F3-L7 HydrophobicContact CD1-CD1 3.7Å; F3-L7 HydrophobicContact CE1-CD1 3.61Å; F3-L7 PolarHBondContact O-N 3.31Å; R4-L7 PolarHBondContact O-N 2.94Å; L7-T9 VanDerWaalsContact C-N 3.34Å; L7-N11 VanDerWaalsContact O-CB 3.29Å; L7-N11 WeakPolarHBondContact O-CB 3.23Å; L7-N11 PolarHBondContact O-N 3.32Å; L7-N11 PolarHBondContact O-ND2 3.2Å |
| 8 | L | 51.7 | Low | 50.1 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -38 | 176.7 | -130.6 | 100.4 | 0 | 0 | 0 | 111.8 | R4 D5 F6 T12 | R4-L8 PolarHBondContact O-N 3.49Å; D5-L8 PolarHBondContact O-N 2.98Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.82Å; L8-T12 WeakPolarHBondContact O-CB 3.38Å; L8-T12 VanDerWaalsContact O-CG2 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-OG1 2.87Å |
| 9 | T | 57.3 | Low | 49.8 | Very low | 72 Ų | 72 | 104.5 Ų | 104.5 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.8 | -42 | 178.4 | 21.3 | 0 | 0 | 0 | 0 | 112 | D5 F6 L7 T12 I13 | D5-T9 PolarHBondContact O-N 2.83Å; D5-T9 VanDerWaalsContact O-N 3.12Å; D5-T9 PolarHBondContact O-OG1 3.44Å; F6-T9 VanDerWaalsContact CA-OG1 3.29Å; F6-T9 WeakPolarHBondContact CA-OG1 3.31Å; F6-T9 PolarHBondContact O-N 3.41Å; F6-T9 PolarHBondContact O-OG1 3.42Å; F6-T9 VanDerWaalsContact O-OG1 3.05Å; L7-T9 VanDerWaalsContact C-N 3.34Å; T9-T12 VanDerWaalsContact CA-OG1 3.32Å; T9-T12 WeakPolarHBondContact CA-OG1 3.36Å; T9-T12 PolarHBondContact O-N 3.32Å; T9-T12 PolarHBondContact O-OG1 2.81Å; T9-I13 WeakPolarHBondContact O-CB 3.43Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.89Å |
| 10 | I | 50.2 | Low | 49.5 | Very low | 73 Ų | 73 | 101.2 Ų | 101.2 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.5 | -69.9 | 178.6 | 0 | 0 | 0 | 110.8 | F6 T12 I13 L14 | F6-I10 HydrophobicContact CD1-CD1 3.71Å; F6-I10 HydrophobicContact CD1-CG1 4.39Å; F6-I10 HydrophobicContact CE1-CD1 3.29Å; F6-I10 HydrophobicContact CE1-CG1 4.18Å; F6-I10 HydrophobicContact CZ-CD1 3.97Å; F6-I10 PolarHBondContact O-N 3.34Å; I10-T12 VanDerWaalsContact C-N 3.33Å; I10-T12 PolarHBondContact O-N 2.95Å; I10-I13 PolarHBondContact O-N 3.14Å; I10-L14 VanDerWaalsContact O-CB 3.29Å; I10-L14 WeakPolarHBondContact O-CB 3.31Å; I10-L14 PolarHBondContact O-N 3.48Å |
| 11 | N | 54.2 | Low | 49.2 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.5 | -77.2 | -19.3 | 0 | 0 | 0 | 111.7 | L7 L14 V15 | L7-N11 VanDerWaalsContact O-CB 3.29Å; L7-N11 WeakPolarHBondContact O-CB 3.23Å; L7-N11 PolarHBondContact O-N 3.32Å; L7-N11 PolarHBondContact O-ND2 3.2Å; N11-L14 PolarHBondContact O-N 2.93Å; N11-V15 WeakPolarHBondContact O-CB 3.26Å; N11-V15 WeakPolarHBondContact O-CG2 3.35Å; N11-V15 PolarHBondContact O-N 2.93Å |
| 12 | T | 57.1 | Low | 48.8 | Very low | 68 Ų | 68 | 95 Ų | 95 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 175.6 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | L8 T9 I10 L16 | L8-T12 WeakPolarHBondContact O-CB 3.38Å; L8-T12 VanDerWaalsContact O-CG2 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.49Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-OG1 2.87Å; T9-T12 VanDerWaalsContact CA-OG1 3.32Å; T9-T12 WeakPolarHBondContact CA-OG1 3.36Å; T9-T12 PolarHBondContact O-N 3.32Å; T9-T12 PolarHBondContact O-OG1 2.81Å; I10-T12 VanDerWaalsContact C-N 3.33Å; I10-T12 PolarHBondContact O-N 2.95Å; T12-L16 VanDerWaalsContact O-CB 3.25Å; T12-L16 WeakPolarHBondContact O-CB 3.13Å; T12-L16 WeakPolarHBondContact O-CD1 3.43Å; T12-L16 VanDerWaalsContact O-CG 3.3Å; T12-L16 WeakPolarHBondContact O-CG 3.22Å; T12-L16 PolarHBondContact O-N 3.39Å |
| 13 | I | 55.8 | Low | 48.5 | Very low | 111 Ų | 111 | 96.8 Ų | 96.8 | 57% | 0.569 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 174.1 | -67 | 164.8 | 0 | 0 | 0 | 110.9 | T9 I10 L16 S17 | T9-I13 WeakPolarHBondContact O-CB 3.43Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.89Å; I10-I13 PolarHBondContact O-N 3.14Å; I13-L16 PolarHBondContact O-N 3.01Å; I13-S17 WeakPolarHBondContact O-CB 3.34Å; I13-S17 PolarHBondContact O-N 3.46Å; I13-S17 PolarHBondContact O-OG 3.33Å |
| 14 | L | 49.1 | Very low | 48.3 | Very low | 72 Ų | 72 | 94.3 Ų | 94.3 | 38% | 0.377 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 177.9 | -159.3 | 105 | 0 | 0 | 0 | 110.7 | I10 N11 S17 I18 | I10-L14 VanDerWaalsContact O-CB 3.29Å; I10-L14 WeakPolarHBondContact O-CB 3.31Å; I10-L14 PolarHBondContact O-N 3.48Å; N11-L14 PolarHBondContact O-N 2.93Å; L14-S17 WeakPolarHBondContact CA-OG 3.48Å; L14-S17 PolarHBondContact O-N 2.97Å; L14-S17 PolarHBondContact O-OG 3.29Å; L14-I18 HydrophobicContact CD2-CD1 3.88Å; L14-I18 HydrophobicContact CG-CD1 4.2Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.49Å |
| 15 | V | 52.9 | Low | 47.9 | Very low | 71 Ų | 71 | 90.2 Ų | 90.2 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.4 | 169 | 0 | 0 | 0 | 0 | 110.5 | N11 S17 I18 F19 | N11-V15 WeakPolarHBondContact O-CB 3.26Å; N11-V15 WeakPolarHBondContact O-CG2 3.35Å; N11-V15 PolarHBondContact O-N 2.93Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.42Å; V15-I18 PolarHBondContact O-N 3.04Å; V15-F19 HydrophobicContact CG1-CD2 3.52Å; V15-F19 HydrophobicContact CG1-CE2 3.58Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 WeakPolarHBondContact O-CD2 3.42Å; V15-F19 PolarHBondContact O-N 3.5Å |
| 16 | L | 50.4 | Low | 47.4 | Very low | 118 Ų | 118 | 89.3 Ų | 89.3 | 62% | 0.618 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.5 | -38.7 | 175 | -81.2 | 161.7 | 0 | 0 | 0 | 112.1 | T12 I13 F19 A20 | T12-L16 VanDerWaalsContact O-CB 3.25Å; T12-L16 WeakPolarHBondContact O-CB 3.13Å; T12-L16 WeakPolarHBondContact O-CD1 3.43Å; T12-L16 VanDerWaalsContact O-CG 3.3Å; T12-L16 WeakPolarHBondContact O-CG 3.22Å; T12-L16 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 3.01Å; L16-F19 PolarHBondContact O-N 3.36Å; L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.91Å |
| 17 | S | 50.4 | Low | 46.9 | Very low | 36 Ų | 36 | 90.5 Ų | 90.5 | 25% | 0.252 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 178 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | I13 L14 V15 A20 Q21 | I13-S17 WeakPolarHBondContact O-CB 3.34Å; I13-S17 PolarHBondContact O-N 3.46Å; I13-S17 PolarHBondContact O-OG 3.33Å; L14-S17 WeakPolarHBondContact CA-OG 3.48Å; L14-S17 PolarHBondContact O-N 2.97Å; L14-S17 PolarHBondContact O-OG 3.29Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.42Å; S17-A20 PolarHBondContact O-N 3.45Å; S17-Q21 VanDerWaalsContact O-CB 3.3Å; S17-Q21 WeakPolarHBondContact O-CB 3.41Å; S17-Q21 WeakPolarHBondContact O-CG 3.43Å; S17-Q21 PolarHBondContact O-N 3.27Å |
| 18 | I | 49.8 | Very low | 46.3 | Very low | 93 Ų | 93 | 89.5 Ų | 89.5 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 175.5 | -66.4 | 164.7 | 0 | 0 | 0 | 110.7 | L14 V15 P22 | L14-I18 HydrophobicContact CD2-CD1 3.88Å; L14-I18 HydrophobicContact CG-CD1 4.2Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.49Å; V15-I18 PolarHBondContact O-N 3.04Å; I18-P22 WeakPolarHBondContact O-CD 3.48Å; I18-P22 WeakPolarHBondContact O-CG 3.38Å |
| 19 | F | 44 | Very low | 45.3 | Very low | 149 Ų | 149 | 91.5 Ų | 91.5 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -80.8 | -29.6 | 176.9 | -80.3 | -67.8 | 0 | 0 | 0 | 113.5 | V15 L16 | V15-F19 HydrophobicContact CG1-CD2 3.52Å; V15-F19 HydrophobicContact CG1-CE2 3.58Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 WeakPolarHBondContact O-CD2 3.42Å; V15-F19 PolarHBondContact O-N 3.5Å; L16-F19 PolarHBondContact O-N 3.36Å |
| 20 | A | 44.7 | Very low | 43.9 | Very low | 38 Ų | 38 | 97 Ų | 97 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -79.6 | -33.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L16 S17 R23 I24 | L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.91Å; S17-A20 PolarHBondContact O-N 3.45Å; A20-R23 PolarHBondContact O-N 3.49Å; A20-I24 HydrophobicContact CB-CD1 4.2Å; A20-I24 WeakPolarHBondContact O-CB 3.5Å; A20-I24 VanDerWaalsContact O-CG1 3.29Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.82Å |
| 21 | Q | 44 | Very low | 42.7 | Very low | 85 Ų | 85 | 97.4 Ų | 97.4 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -49.2 | -179.1 | -91.5 | -176.9 | -26.1 | 0 | 0 | 113.4 | S17 R23 I24 H25 | S17-Q21 VanDerWaalsContact O-CB 3.3Å; S17-Q21 WeakPolarHBondContact O-CB 3.41Å; S17-Q21 WeakPolarHBondContact O-CG 3.43Å; S17-Q21 PolarHBondContact O-N 3.27Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.98Å; Q21-I24 PolarHBondContact O-N 3.18Å; Q21-H25 WeakPolarHBondContact O-CB 3.42Å; Q21-H25 PolarHBondContact O-N 3.48Å |
| 22 | P | 39.6 | Very low | 41.4 | Very low | 79 Ų | 79 | 97.2 Ų | 97.2 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.2 | -18 | 26.9 | 0 | 0 | 0 | 112.3 | I18 H25 A26 | I18-P22 WeakPolarHBondContact O-CD 3.48Å; I18-P22 WeakPolarHBondContact O-CG 3.38Å; P22-H25 PolarHBondContact O-N 2.93Å; P22-A26 WeakPolarHBondContact O-CB 3.41Å; P22-A26 PolarHBondContact O-N 3.45Å |
| 23 | R | 38.8 | Very low | 39.7 | Very low | 193 Ų | 193 | 100.7 Ų | 100.7 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -42.2 | 177.5 | -76.3 | -170 | 173.2 | -170.1 | -0.7 | 111.8 | A20 Q21 A26 I27 | A20-R23 PolarHBondContact O-N 3.49Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.98Å; R23-A26 PolarHBondContact O-N 2.94Å; R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 WeakPolarHBondContact O-CD1 3.3Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 3.45Å |
| 24 | I | 39.5 | Very low | 38.2 | Very low | 74 Ų | 74 | 101.3 Ų | 101.3 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 176 | -66.3 | 166.1 | 0 | 0 | 0 | 110.2 | A20 Q21 I27 L28 | A20-I24 HydrophobicContact CB-CD1 4.2Å; A20-I24 WeakPolarHBondContact O-CB 3.5Å; A20-I24 VanDerWaalsContact O-CG1 3.29Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.82Å; Q21-I24 PolarHBondContact O-N 3.18Å; I24-I27 PolarHBondContact O-N 2.96Å; I24-L28 HydrophobicContact CG2-CD1 3.59Å; I24-L28 HydrophobicContact CG2-CG 4.4Å; I24-L28 VanDerWaalsContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CB 3.35Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 3.37Å |
| 25 | H | 36.1 | Very low | 37 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 41% | 0.407 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 172.2 | -117.1 | -81.8 | 0 | 0 | 0 | 112.1 | Q21 P22 L28 Y29 | Q21-H25 WeakPolarHBondContact O-CB 3.42Å; Q21-H25 PolarHBondContact O-N 3.48Å; P22-H25 PolarHBondContact O-N 2.93Å; H25-L28 PolarHBondContact O-N 2.91Å; H25-Y29 AromaticContact CE1-CD2 3.64Å; H25-Y29 AromaticContact CE1-CE2 3.88Å; H25-Y29 AromaticContact ND1-CD2 3.47Å; H25-Y29 WeakPolarHBondContact ND1-CD2 3.38Å; H25-Y29 WeakPolarHBondContact O-CA 3.33Å; H25-Y29 WeakPolarHBondContact O-CB 3.31Å; H25-Y29 PolarHBondContact O-N 2.92Å |
| 26 | A | 37.1 | Very low | 35.7 | Very low | 65 Ų | 65 | 108.8 Ų | 108.8 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.6 | -33 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P22 R23 | P22-A26 WeakPolarHBondContact O-CB 3.41Å; P22-A26 PolarHBondContact O-N 3.45Å; R23-A26 PolarHBondContact O-N 2.94Å |
| 27 | I | 37.8 | Very low | 34.6 | Very low | 139 Ų | 139 | 107.9 Ų | 107.9 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.9 | -38 | 174.6 | -67.5 | 163.2 | 0 | 0 | 0 | 111.1 | R23 I24 | R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 WeakPolarHBondContact O-CD1 3.3Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 3.45Å; I24-I27 PolarHBondContact O-N 2.96Å |
| 28 | L | 31.6 | Very low | 33.6 | Very low | 56 Ų | 56 | 109.5 Ų | 109.5 | 29% | 0.293 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -86.6 | -32.2 | -176.8 | -75.1 | 168.1 | 0 | 0 | 0 | 114.1 | I24 H25 | I24-L28 HydrophobicContact CG2-CD1 3.59Å; I24-L28 HydrophobicContact CG2-CG 4.4Å; I24-L28 VanDerWaalsContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CB 3.35Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 3.37Å; H25-L28 PolarHBondContact O-N 2.91Å |
| 29 | Y | 30.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 108.6 Ų | 108.6 | 60% | 0.596 | 56% | 0.561 | S | S | * | * | trans | -124.2 | 53 | -175.1 | -69.6 | -84.3 | 0 | 0 | 0 | 110.8 | H25 S31 | H25-Y29 AromaticContact CE1-CD2 3.64Å; H25-Y29 AromaticContact CE1-CE2 3.88Å; H25-Y29 AromaticContact ND1-CD2 3.47Å; H25-Y29 WeakPolarHBondContact ND1-CD2 3.38Å; H25-Y29 WeakPolarHBondContact O-CA 3.33Å; H25-Y29 WeakPolarHBondContact O-CB 3.31Å; H25-Y29 PolarHBondContact O-N 2.92Å; Y29-S31 PolarHBondContact O-N 3.3Å | ||
| 30 | K | 28.2 | Very low | 31.9 | Very low | 186 Ų | 186 | 104.5 Ų | 104.5 | 81% | 0.809 | 55% | 0.551 | S | S | * | * | trans | -71 | 52.4 | 150.4 | -155.4 | 179.4 | -176.1 | -174.5 | 0 | 108.9 | S32 | K30-S32 PolarHBondContact O-N 2.85Å; K30-S32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | S | 26.6 | Very low | 31.3 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 57% | 0.573 | 56% | 0.561 | S | S | * | * | trans | -73.9 | 102.6 | 164 | 59.6 | 0 | 0 | 0 | 0 | 105.6 | Y29 D33 | Y29-S31 PolarHBondContact O-N 3.3Å; S31-D33 PolarHBondContact O-N 3.36Å | ||
| 32 | S | 25.2 | Very low | 30.8 | Very low | 86 Ų | 86 | 109.1 Ų | 109.1 | 60% | 0.601 | 57% | 0.567 | S | S | * | * | trans | -67.2 | 75.1 | 174.1 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | K30 I34 | K30-S32 PolarHBondContact O-N 2.85Å; K30-S32 VanDerWaalsContact O-N 3.16Å; S32-I34 PolarHBondContact O-N 2.98Å | ||
| 33 | D | 22 | Very low | 30.1 | Very low | 142 Ų | 142 | 113.6 Ų | 113.6 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | trans | -72.5 | 75 | 143.5 | -77.6 | -27.9 | 0 | 0 | 0 | 105.9 | S31 H35 | S31-D33 PolarHBondContact O-N 3.36Å; D33-H35 PolarHBondContact O-N 2.89Å | ||
| 34 | I | 24.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 111.1 Ų | 111.1 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | trans | -77.1 | 82.6 | 173.9 | -64.9 | 162 | 0 | 0 | 0 | 106.2 | S32 F36 | S32-I34 PolarHBondContact O-N 2.98Å; I34-F36 HydrophobicContact CG2-CB 3.98Å; I34-F36 HydrophobicContact CG2-CD2 3.72Å; I34-F36 HydrophobicContact CG2-CG 4.36Å; I34-F36 PolarHBondContact O-N 2.98Å; I34-F36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | H | 23.7 | Very low | 28.9 | Very low | 182 Ų | 182 | 113.9 Ų | 113.9 | 84% | 0.843 | 60% | 0.598 | S | S | * | * | trans | -65.7 | 98.2 | 144.9 | -81.2 | -75.6 | 0 | 0 | 0 | 106.3 | D33 N37 | D33-H35 PolarHBondContact O-N 2.89Å; H35-N37 PolarHBondContact O-N 3.22Å | ||
| 36 | F | 26.8 | Very low | 28.5 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 52% | 0.518 | 61% | 0.606 | S | S | . | * | trans | -69.1 | 101.8 | -178.7 | -159.6 | -102.3 | 0 | 0 | 0 | 109.2 | I34 C38 L41 | I34-F36 HydrophobicContact CG2-CB 3.98Å; I34-F36 HydrophobicContact CG2-CD2 3.72Å; I34-F36 HydrophobicContact CG2-CG 4.36Å; I34-F36 PolarHBondContact O-N 2.98Å; I34-F36 VanDerWaalsContact O-N 3.09Å; F36-C38 PolarHBondContact O-N 3.5Å; F36-L41 HydrophobicContact CE1-CD1 3.31Å; F36-L41 HydrophobicContact CZ-CD1 3.29Å | ||
| 37 | N | 26 | Very low | 27.9 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | trans | -82.5 | 103.2 | 174 | -171.5 | -6.6 | 0 | 0 | 0 | 107.8 | H35 S39 S40 | H35-N37 PolarHBondContact O-N 3.22Å; N37-S39 PolarHBondContact ND2-OG 2.86Å; N37-S39 VanDerWaalsContact ND2-OG 3.15Å; N37-S39 PolarHBondContact O-N 3.37Å; N37-S39 PolarHBondContact OD1-N 3.46Å; N37-S39 PolarHBondContact OD1-OG 2.89Å; N37-S40 PolarHBondContact O-N 3.35Å; N37-S40 PolarHBondContact O-OG 3.03Å; N37-S40 VanDerWaalsContact O-OG 3.09Å | ||
| 38 | C | 30.2 | Very low | 27.4 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 48% | 0.48 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -54.9 | -16.5 | -178.5 | -67.5 | 0 | 0 | 0 | 0 | 114 | F36 S40 L41 F42 | F36-C38 PolarHBondContact O-N 3.5Å; C38-S40 VanDerWaalsContact C-N 3.27Å; C38-S40 PolarHBondContact O-N 2.93Å; C38-L41 WeakPolarHBondContact O-CB 3.36Å; C38-L41 PolarHBondContact O-N 3.48Å; C38-F42 WeakPolarHBondContact O-CD2 3.49Å |
| 39 | S | 28.3 | Very low | 27.1 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 51% | 0.51 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -65.4 | -24.7 | 172.7 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | N37 | N37-S39 PolarHBondContact ND2-OG 2.86Å; N37-S39 VanDerWaalsContact ND2-OG 3.15Å; N37-S39 PolarHBondContact O-N 3.37Å; N37-S39 PolarHBondContact OD1-N 3.46Å; N37-S39 PolarHBondContact OD1-OG 2.89Å |
| 40 | S | 29.5 | Very low | 27.1 | Very low | 64 Ų | 64 | 123.4 Ų | 123.4 | 45% | 0.448 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -79.5 | -17.3 | 176.1 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | N37 C38 F42 H43 Q44 | N37-S40 PolarHBondContact O-N 3.35Å; N37-S40 PolarHBondContact O-OG 3.03Å; N37-S40 VanDerWaalsContact O-OG 3.09Å; C38-S40 VanDerWaalsContact C-N 3.27Å; C38-S40 PolarHBondContact O-N 2.93Å; S40-F42 PolarHBondContact O-N 3.01Å; S40-H43 PolarHBondContact O-N 3.3Å; S40-Q44 PolarHBondContact O-N 3.15Å |
| 41 | L | 32.9 | Very low | 27 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 51% | 0.508 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -66.6 | -26.9 | 177.5 | -144.8 | 122.4 | 0 | 0 | 0 | 112 | F36 C38 | F36-L41 HydrophobicContact CE1-CD1 3.31Å; F36-L41 HydrophobicContact CZ-CD1 3.29Å; C38-L41 WeakPolarHBondContact O-CB 3.36Å; C38-L41 PolarHBondContact O-N 3.48Å |
| 42 | F | 31.9 | Very low | 27 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 54% | 0.535 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -85.6 | -11 | -178.6 | -65.6 | -75.5 | 0 | 0 | 0 | 113.7 | C38 S40 | C38-F42 WeakPolarHBondContact O-CD2 3.49Å; S40-F42 PolarHBondContact O-N 3.01Å |
| 43 | H | 26.6 | Very low | 27.3 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 80% | 0.801 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -14.2 | -179.7 | -103.9 | -62.7 | 0 | 0 | 0 | 115.3 | S40 | S40-H43 PolarHBondContact O-N 3.3Š|
| 44 | Q | 25.2 | Very low | 27.5 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 66% | 0.659 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -115.9 | 111 | 170.8 | -83.7 | 179.1 | -14.4 | 0 | 0 | 109.1 | S40 V46 | S40-Q44 PolarHBondContact O-N 3.15Å; Q44-V46 PolarHBondContact O-N 3.08Å |
| 45 | T | 27 | Very low | 27.7 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 82% | 0.816 | 63% | 0.63 | S | S | * | * | trans | -44.3 | 82.5 | 161.1 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | Y47 | T45-Y47 PolarHBondContact O-N 3.29Š| ||
| 46 | V | 28.3 | Very low | 28 | Very low | 94 Ų | 94 | 115 Ų | 115 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | trans | -95.6 | 91.2 | 166.1 | -176.6 | 0 | 0 | 0 | 0 | 105.5 | Q44 E48 | Q44-V46 PolarHBondContact O-N 3.08Å; V46-E48 HydrophobicContact CG1-CB 4.07Å; V46-E48 HydrophobicContact CG1-CG 3.64Å; V46-E48 PolarHBondContact O-N 3.23Å | ||
| 47 | Y | 25 | Very low | 28.1 | Very low | 218 Ų | 218 | 111.9 Ų | 111.9 | 86% | 0.855 | 61% | 0.613 | S | S | * | * | trans | -60.3 | 71.8 | 155.6 | -83.9 | -91.8 | 0 | 0 | 0 | 108.4 | T45 S49 | T45-Y47 PolarHBondContact O-N 3.29Å; Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 3.04Å | ||
| 48 | E | 27 | Very low | 28.4 | Very low | 124 Ų | 124 | 111.3 Ų | 111.3 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | trans | -82.5 | 90.3 | 157.5 | -93.8 | 177.5 | -163.6 | 0 | 0 | 106.5 | V46 Y50 | V46-E48 HydrophobicContact CG1-CB 4.07Å; V46-E48 HydrophobicContact CG1-CG 3.64Å; V46-E48 PolarHBondContact O-N 3.23Å; E48-Y50 HydrophobicContact CB-CD2 4.37Å; E48-Y50 HydrophobicContact CB-CE2 3.73Å; E48-Y50 WeakPolarHBondContact O-CD2 3.31Å; E48-Y50 PolarHBondContact O-N 3.33Å; E48-Y50 PolarHBondContact OE2-OH 2.8Å | ||
| 49 | S | 25.6 | Very low | 28.6 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | trans | -74.7 | 102.3 | 170.7 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | Y47 L51 | Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 3.04Å; S49-L51 PolarHBondContact O-N 3.2Å | ||
| 50 | Y | 29.8 | Very low | 28.9 | Very low | 154 Ų | 154 | 113.6 Ų | 113.6 | 60% | 0.604 | 61% | 0.613 | S | S | * | * | trans | -77.4 | 114.7 | 166.8 | -66.9 | -90.8 | 0 | 0 | 0 | 108.3 | E48 L52 L58 | E48-Y50 HydrophobicContact CB-CD2 4.37Å; E48-Y50 HydrophobicContact CB-CE2 3.73Å; E48-Y50 WeakPolarHBondContact O-CD2 3.31Å; E48-Y50 PolarHBondContact O-N 3.33Å; E48-Y50 PolarHBondContact OE2-OH 2.8Å; Y50-L52 VanDerWaalsContact C-N 3.29Å; Y50-L52 PolarHBondContact O-N 3.42Å; Y50-L58 HydrophobicContact CG-CD1 4.4Å | ||
| 51 | L | 24.7 | Very low | 29.1 | Very low | 148 Ų | 148 | 114.9 Ų | 114.9 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | trans | -69.6 | 90.1 | 166.5 | -89.4 | 157.6 | 0 | 0 | 0 | 108.4 | S49 | S49-L51 PolarHBondContact O-N 3.2Š| ||
| 52 | L | 28.2 | Very low | 29.2 | Very low | 61 Ų | 61 | 112.6 Ų | 112.6 | 32% | 0.319 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 132.9 | 166.3 | -66.9 | 169.6 | 0 | 0 | 0 | 108.9 | Y50 D56 L58 | Y50-L52 VanDerWaalsContact C-N 3.29Å; Y50-L52 PolarHBondContact O-N 3.42Å; L52-D56 HydrophobicContact CB-CB 4.26Å; L52-D56 HydrophobicContact CD2-CB 3.78Å; L52-L58 HydrophobicContact CD1-CD1 4.02Å; L52-L58 HydrophobicContact CD1-CG 4.44Å; L52-L58 HydrophobicContact CD2-CD1 3.82Å; L52-L58 HydrophobicContact CD2-CG 3.96Å; L52-L58 HydrophobicContact CG-CD1 4.13Å |
| 53 | S | 30.2 | Very low | 29.4 | Very low | 41 Ų | 41 | 112.9 Ų | 112.9 | 29% | 0.287 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 158.5 | 170.2 | -46.6 | 0 | 0 | 0 | 0 | 108.4 | G55 D56 R134 | S53-G55 PolarHBondContact O-N 3.12Å; S53-G55 VanDerWaalsContact O-N 3.16Å; S53-D56 WeakPolarHBondContact CB-OD2 3.31Å; S53-D56 PolarHBondContact N-OD2 3.05Å; S53-D56 WeakPolarHBondContact O-CB 3.49Å; S53-D56 PolarHBondContact O-N 2.85Å; S53-R134 PolarHBondContact OG-NH2 3.41Å |
| 54 | E | 26.5 | Very low | 29.8 | Very low | 203 Ų | 203 | 109.1 Ų | 109.1 | 95% | 0.949 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | 123.5 | 175.5 | -73.7 | 177.7 | 167.6 | 0 | 0 | 111.1 | ||
| 55 | G | 29.2 | Very low | 30.4 | Very low | 86 Ų | 86 | 104.4 Ų | 104.4 | 89% | 0.887 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.7 | -9.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S53 | S53-G55 PolarHBondContact O-N 3.12Å; S53-G55 VanDerWaalsContact O-N 3.16Å |
| 56 | D | 29.4 | Very low | 31 | Very low | 87 Ų | 87 | 100.2 Ų | 100.2 | 47% | 0.465 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -82.9 | 120.1 | 174.4 | -64.2 | -31.8 | 0 | 0 | 0 | 110.1 | L52 S53 | L52-D56 HydrophobicContact CB-CB 4.26Å; L52-D56 HydrophobicContact CD2-CB 3.78Å; S53-D56 WeakPolarHBondContact CB-OD2 3.31Å; S53-D56 PolarHBondContact N-OD2 3.05Å; S53-D56 WeakPolarHBondContact O-CB 3.49Å; S53-D56 PolarHBondContact O-N 2.85Å |
| 57 | G | 29.5 | Very low | 31.4 | Very low | 51 Ų | 51 | 102 Ų | 102 | 53% | 0.526 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -103.4 | 141.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 58 | L | 32.3 | Very low | 31.9 | Very low | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -100.3 | 118.9 | 169.3 | -94 | 158.8 | 0 | 0 | 0 | 108.7 | Y50 L52 | Y50-L58 HydrophobicContact CG-CD1 4.4Å; L52-L58 HydrophobicContact CD1-CD1 4.02Å; L52-L58 HydrophobicContact CD1-CG 4.44Å; L52-L58 HydrophobicContact CD2-CD1 3.82Å; L52-L58 HydrophobicContact CD2-CG 3.96Å; L52-L58 HydrophobicContact CG-CD1 4.13Å |
| 59 | V | 33 | Very low | 32.4 | Very low | 77 Ų | 77 | 94.6 Ų | 94.6 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | trans | -97.6 | 106.8 | 172.3 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | S61 I121 | V59-S61 PolarHBondContact O-N 3.06Å; V59-I121 HydrophobicContact CG2-CD1 4.5Å | ||
| 60 | L | 34.4 | Very low | 32.8 | Very low | 114 Ų | 114 | 95.2 Ų | 95.2 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | trans | -89 | 90.3 | 171.8 | -73.4 | 163.6 | 0 | 0 | 0 | 109 | C62 L84 | L60-C62 PolarHBondContact O-N 2.74Å; L60-L84 HydrophobicContact CD1-CD2 4.27Å | ||
| 61 | S | 34.3 | Very low | 33 | Very low | 91 Ų | 91 | 95.4 Ų | 95.4 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | trans | -84.1 | 98.6 | 171.2 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | V59 | V59-S61 PolarHBondContact O-N 3.06Š| ||
| 62 | C | 34.6 | Very low | 33.3 | Very low | 49 Ų | 49 | 94.8 Ų | 94.8 | 33% | 0.331 | 53% | 0.529 | S | S | . | . | trans | -124.6 | 118.8 | 170 | 175.4 | 0 | 0 | 0 | 0 | 108 | L60 V64 C65 S66 | L60-C62 PolarHBondContact O-N 2.74Å; C62-V64 PolarHBondContact O-N 2.89Å; C62-C65 HydrophobicContact CB-CB 3.81Å; C62-C65 VanDerWaalsContact CB-SG 3.56Å; C62-C65 PolarHBondContact O-N 3.48Å; C62-S66 PolarHBondContact O-N 2.82Å | ||
| 63 | N | 35.9 | Very low | 33.2 | Very low | 129 Ų | 129 | 99.6 Ų | 99.6 | 69% | 0.69 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -56.6 | -35.1 | 178.8 | -79.4 | -6 | 0 | 0 | 0 | 111.7 | S66 | N63-S66 PolarHBondContact O-N 3.42Å; N63-S66 PolarHBondContact O-OG 2.89Å |
| 64 | V | 36.9 | Very low | 33.1 | Very low | 94 Ų | 94 | 101.9 Ų | 101.9 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.3 | -41.4 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | C62 S66 | C62-V64 PolarHBondContact O-N 2.89Å; V64-S66 VanDerWaalsContact C-N 3.33Å |
| 65 | C | 37.1 | Very low | 33 | Very low | 42 Ų | 42 | 103 Ų | 103 | 28% | 0.284 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.8 | -33.7 | 176.3 | -58 | 0 | 0 | 0 | 0 | 111.4 | C62 E67 Y68 F69 | C62-C65 HydrophobicContact CB-CB 3.81Å; C62-C65 VanDerWaalsContact CB-SG 3.56Å; C62-C65 PolarHBondContact O-N 3.48Å; C65-E67 VanDerWaalsContact C-N 3.27Å; C65-E67 PolarHBondContact O-N 3.28Å; C65-Y68 PolarHBondContact O-N 2.98Å; C65-F69 HydrophobicContact CB-CD2 4.42Å; C65-F69 HydrophobicContact CB-CE2 4.34Å; C65-F69 WeakPolarHBondContact O-CD2 3.47Å; C65-F69 PolarHBondContact O-N 3.31Å |
| 66 | S | 38.8 | Very low | 32.7 | Very low | 45 Ų | 45 | 103.2 Ų | 103.2 | 32% | 0.315 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -32.6 | -177 | 79.7 | 0 | 0 | 0 | 0 | 113.4 | C62 N63 V64 K70 | C62-S66 PolarHBondContact O-N 2.82Å; N63-S66 PolarHBondContact O-N 3.42Å; N63-S66 PolarHBondContact O-OG 2.89Å; V64-S66 VanDerWaalsContact C-N 3.33Å; S66-K70 PolarHBondContact O-N 3.44Å |
| 67 | E | 36.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.3 | -31.2 | 175.5 | -73.5 | -152 | 128.2 | 0 | 0 | 113.1 | C65 F69 K70 | C65-E67 VanDerWaalsContact C-N 3.27Å; C65-E67 PolarHBondContact O-N 3.28Å; E67-F69 PolarHBondContact O-N 2.99Å; E67-K70 IonicContact OE1-NZ 3.08Å; E67-K70 PolarHBondContact OE1-NZ 2.95Å; E67-K70 VanDerWaalsContact OE1-NZ 3.08Å |
| 68 | Y | 35.1 | Very low | 32.5 | Very low | 134 Ų | 134 | 109.9 Ų | 109.9 | 53% | 0.525 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -23.6 | 176.8 | -156.6 | -93.8 | 0 | 0 | 0 | 112.6 | C65 | C65-Y68 PolarHBondContact O-N 2.98Å |
| 69 | F | 38.1 | Very low | 32 | Very low | 54 Ų | 54 | 110 Ų | 110 | 24% | 0.237 | 58% | 0.582 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -106.3 | 7.7 | -178.4 | -63.9 | -71.5 | 0 | 0 | 0 | 114.1 | C65 E67 D71 K72 L84 | C65-F69 HydrophobicContact CB-CD2 4.42Å; C65-F69 HydrophobicContact CB-CE2 4.34Å; C65-F69 WeakPolarHBondContact O-CD2 3.47Å; C65-F69 PolarHBondContact O-N 3.31Å; E67-F69 PolarHBondContact O-N 2.99Å; F69-D71 PolarHBondContact O-N 3.45Å; F69-K72 HydrophobicContact CD1-CB 4.43Å; F69-K72 HydrophobicContact CD1-CD 4.16Å; F69-K72 HydrophobicContact CE1-CD 4.45Å; F69-K72 PolarHBondContact O-N 2.95Å; F69-K72 VanDerWaalsContact O-N 3.11Å; F69-L84 HydrophobicContact CD1-CD1 4.2Å; F69-L84 HydrophobicContact CD2-CD1 4.12Å; F69-L84 HydrophobicContact CE1-CD1 3.89Å; F69-L84 HydrophobicContact CE2-CD1 3.85Å; F69-L84 HydrophobicContact CG-CD1 4.33Å; F69-L84 HydrophobicContact CZ-CD1 3.73Å |
| 70 | K | 34.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52 | -24.5 | 179.8 | -103.2 | 176.5 | -180 | 165.5 | 0 | 114.1 | S66 E67 | S66-K70 PolarHBondContact O-N 3.44Å; E67-K70 IonicContact OE1-NZ 3.08Å; E67-K70 PolarHBondContact OE1-NZ 2.95Å; E67-K70 VanDerWaalsContact OE1-NZ 3.08Å |
| 71 | D | 33.3 | Very low | 31.1 | Very low | 158 Ų | 158 | 113.2 Ų | 113.2 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 9.8 | -176.6 | -56.9 | -41.3 | 0 | 0 | 0 | 114.5 | F69 | F69-D71 PolarHBondContact O-N 3.45Š|
| 72 | K | 31.3 | Very low | 30.7 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 59% | 0.591 | 61% | 0.606 | S | S | * | * | trans | -100.9 | 87.1 | 173.3 | -73.4 | -169.9 | 179.6 | 179.8 | 0 | 109.6 | F69 T74 | F69-K72 HydrophobicContact CD1-CB 4.43Å; F69-K72 HydrophobicContact CD1-CD 4.16Å; F69-K72 HydrophobicContact CE1-CD 4.45Å; F69-K72 PolarHBondContact O-N 2.95Å; F69-K72 VanDerWaalsContact O-N 3.11Å; K72-T74 PolarHBondContact O-N 3.3Å | ||
| 73 | E | 26.1 | Very low | 30.4 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 76% | 0.757 | 61% | 0.606 | S | S | * | * | trans | -54.1 | 107 | 166.2 | -75.2 | -176.7 | 156.6 | 0 | 0 | 109.3 | ||||
| 74 | T | 28.1 | Very low | 30 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | trans | -97.1 | 120.8 | 167.3 | 43 | 0 | 0 | 0 | 0 | 107.7 | K72 E76 D83 | K72-T74 PolarHBondContact O-N 3.3Å; T74-E76 PolarHBondContact O-N 3.12Å; T74-D83 PolarHBondContact OG1-O 3.46Å | ||
| 75 | W | 23.4 | Very low | 29.6 | Very low | 227 Ų | 227 | 113.4 Ų | 113.4 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | trans | -81.7 | 104 | -173.9 | -68.8 | 70.8 | 0 | 0 | 0 | 109.1 | ||||
| 76 | E | 24.9 | Very low | 29.1 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 42% | 0.421 | 61% | 0.605 | S | S | . | * | trans | -145 | 114 | 152.1 | -114.5 | -178.6 | -174.5 | 0 | 0 | 110.5 | T74 G78 Q87 | T74-E76 PolarHBondContact O-N 3.12Å; E76-G78 PolarHBondContact O-N 2.68Å; E76-Q87 PolarHBondContact OE1-NE2 2.91Å | ||
| 77 | H | 27 | Very low | 28.4 | Very low | 191 Ų | 191 | 121.7 Ų | 121.7 | 88% | 0.884 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 36 | 76.8 | 160.4 | -68.8 | 76.1 | 0 | 0 | 0 | 117.3 | S79 | H77-S79 PolarHBondContact O-N 2.93Š|
| 78 | G | 25.8 | Very low | 27.9 | Very low | 88 Ų | 88 | 124.3 Ų | 124.3 | 91% | 0.907 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.9 | -1.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | E76 | E76-G78 PolarHBondContact O-N 2.68Š|
| 79 | S | 22.8 | Very low | 27.4 | Very low | 90 Ų | 90 | 123 Ų | 123 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | trans | -153.6 | 117.1 | 165.6 | 57.6 | 0 | 0 | 0 | 0 | 111 | H77 K81 | H77-S79 PolarHBondContact O-N 2.93Å; S79-K81 PolarHBondContact O-N 3.5Å | ||
| 80 | A | 23 | Very low | 26.8 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 89% | 0.893 | 66% | 0.658 | S | S | * | * | trans | -57.5 | 109.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 81 | K | 25.6 | Very low | 26.3 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | trans | -126.8 | 142.3 | 159.4 | -79.3 | -176 | 175.7 | 177.7 | 0 | 107 | S79 D83 | S79-K81 PolarHBondContact O-N 3.5Å; K81-D83 WeakPolarHBondContact CB-OD2 3.32Å; K81-D83 PolarHBondContact O-N 3.47Å | ||
| 82 | N | 26.4 | Very low | 25.9 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | trans | -72 | 56.6 | -174.5 | -61.5 | -14.5 | 0 | 0 | 0 | 110.8 | ||||
| 83 | D | 28.6 | Very low | 25.5 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 34% | 0.337 | 68% | 0.684 | S | S | . | * | trans | -107.7 | 121.2 | -167.3 | -66 | -24.2 | 0 | 0 | 0 | 108.9 | T74 K81 F85 | T74-D83 PolarHBondContact OG1-O 3.46Å; K81-D83 WeakPolarHBondContact CB-OD2 3.32Å; K81-D83 PolarHBondContact O-N 3.47Å; D83-F85 PolarHBondContact O-N 3.01Å | ||
| 84 | L | 27 | Very low | 25.4 | Very low | 64 Ų | 64 | 120.9 Ų | 120.9 | 34% | 0.335 | 68% | 0.681 | S | S | . | * | trans | -76 | 94.2 | 175.2 | -167.9 | 88 | 0 | 0 | 0 | 109.1 | L60 F69 I86 | L60-L84 HydrophobicContact CD1-CD2 4.27Å; F69-L84 HydrophobicContact CD1-CD1 4.2Å; F69-L84 HydrophobicContact CD2-CD1 4.12Å; F69-L84 HydrophobicContact CE1-CD1 3.89Å; F69-L84 HydrophobicContact CE2-CD1 3.85Å; F69-L84 HydrophobicContact CG-CD1 4.33Å; F69-L84 HydrophobicContact CZ-CD1 3.73Å; L84-I86 HydrophobicContact CD2-CD1 4.46Å; L84-I86 HydrophobicContact CD2-CG1 4.36Å | ||
| 85 | F | 27.9 | Very low | 25.1 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 51% | 0.513 | 70% | 0.701 | S | S | . | * | trans | -87 | 113.2 | 172.1 | -124.8 | -95.6 | 0 | 0 | 0 | 110 | D83 Q87 | D83-F85 PolarHBondContact O-N 3.01Å; F85-Q87 PolarHBondContact O-N 2.7Å | ||
| 86 | I | 27 | Very low | 25.1 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | trans | -87.9 | 91 | 170.4 | -57.7 | 175 | 0 | 0 | 0 | 107.2 | L84 | L84-I86 HydrophobicContact CD2-CD1 4.46Å; L84-I86 HydrophobicContact CD2-CG1 4.36Å | ||
| 87 | Q | 24.7 | Very low | 25.1 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 129.5 | 172.1 | -121.8 | 179.8 | 9.7 | 0 | 0 | 109.4 | E76 F85 | E76-Q87 PolarHBondContact OE1-NE2 2.91Å; F85-Q87 PolarHBondContact O-N 2.7Å |
| 88 | R | 26.7 | Very low | 24.9 | Very low | 185 Ų | 185 | 118 Ų | 118 | 70% | 0.698 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 130.3 | 169.7 | -161.7 | 179.5 | -151.3 | 151.4 | 4.5 | 107.3 | E90 | R88-E90 PolarHBondContact O-N 3.18Å; R88-E90 VanDerWaalsContact O-N 3.1Å |
| 89 | P | 24.4 | Very low | 24.9 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121.4 | 176.9 | 21.3 | -29.7 | 0 | 0 | 0 | 108.8 | T91 | P89-T91 PolarHBondContact O-N 2.83Š|
| 90 | E | 24.8 | Very low | 24.9 | Very low | 171 Ų | 171 | 118.9 Ų | 118.9 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -58.2 | 110.3 | 172.4 | -71.5 | -175.5 | 161.2 | 0 | 0 | 107.9 | R88 T92 | R88-E90 PolarHBondContact O-N 3.18Å; R88-E90 VanDerWaalsContact O-N 3.1Å; E90-T92 PolarHBondContact O-N 3.43Å | ||
| 91 | T | 23.9 | Very low | 24.9 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | trans | -73.9 | 73.1 | 168.9 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | P89 G93 | P89-T91 PolarHBondContact O-N 2.83Å; T91-G93 PolarHBondContact O-N 3.14Å | ||
| 92 | T | 25.1 | Very low | 24.9 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | trans | -74.5 | 117.9 | 157.9 | 28.9 | 0 | 0 | 0 | 0 | 107 | E90 G94 | E90-T92 PolarHBondContact O-N 3.43Å; T92-G94 PolarHBondContact O-N 3.47Å | ||
| 93 | G | 22.5 | Very low | 24.6 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | trans | -55.1 | 122 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T91 | T91-G93 PolarHBondContact O-N 3.14Š| ||
| 94 | G | 23.5 | Very low | 24.3 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | 173 | 99 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T92 | T92-G94 PolarHBondContact O-N 3.47Š| ||
| 95 | Q | 22.3 | Very low | 24 | Very low | 205 Ų | 205 | 125.7 Ų | 125.7 | 96% | 0.958 | 75% | 0.747 | S | S | * | * | trans | 24.9 | 123.2 | 150.9 | -63.4 | 176.6 | -4.4 | 0 | 0 | 119.1 | ||||
| 96 | G | 23.3 | Very low | 23.8 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 136.2 | 125.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 97 | L | 23.8 | Very low | 23.6 | Very low | 188 Ų | 188 | 121.5 Ų | 121.5 | 98% | 0.984 | 74% | 0.744 | S | S | * | * | trans | -52.6 | 143.5 | 175.5 | -74.2 | 77.3 | 0 | 0 | 0 | 113.2 | ||||
| 98 | G | 23.3 | Very low | 23.6 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 145.7 | 84.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S100 | G98-S100 PolarHBondContact O-N 2.92Š| ||
| 99 | A | 25.2 | Very low | 23.4 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -61.7 | 99.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | D101 | A99-D101 PolarHBondContact O-N 3.06Š| ||
| 100 | S | 23.8 | Very low | 23.6 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -83.3 | 93.4 | 168.6 | 60.9 | 0 | 0 | 0 | 0 | 107.9 | G98 I102 | G98-S100 PolarHBondContact O-N 2.92Å; S100-I102 PolarHBondContact O-N 3.26Å; S100-I102 VanDerWaalsContact O-N 3.12Å | ||
| 101 | D | 23.2 | Very low | 23.6 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -64.4 | 106.2 | 167.7 | -69.1 | -33.9 | 0 | 0 | 0 | 108.5 | A99 N103 | A99-D101 PolarHBondContact O-N 3.06Å; D101-N103 PolarHBondContact O-N 3.29Å; D101-N103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | I | 24.7 | Very low | 23.6 | Very low | 142 Ų | 142 | 118.1 Ų | 118.1 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | -78.7 | 93.7 | 173.4 | -57.4 | 175.1 | 0 | 0 | 0 | 107.4 | S100 L104 | S100-I102 PolarHBondContact O-N 3.26Å; S100-I102 VanDerWaalsContact O-N 3.12Å; I102-L104 HydrophobicContact CG2-CD1 3.95Å; I102-L104 PolarHBondContact O-N 3.41Å | ||
| 103 | N | 21.3 | Very low | 23.6 | Very low | 151 Ų | 151 | 120 Ų | 120 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -74.1 | 106.4 | 172.5 | -80 | -24.7 | 0 | 0 | 0 | 110.1 | D101 | D101-N103 PolarHBondContact O-N 3.29Å; D101-N103 VanDerWaalsContact O-N 3.09Å | ||
| 104 | L | 22.7 | Very low | 23.7 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 63% | 0.634 | 75% | 0.75 | S | S | * | * | trans | -87.2 | 112.5 | 165.5 | -107.4 | 88.7 | 0 | 0 | 0 | 109.6 | I102 | I102-L104 HydrophobicContact CG2-CD1 3.95Å; I102-L104 PolarHBondContact O-N 3.41Å | ||
| 105 | S | 20.4 | Very low | 23.7 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -93.7 | 125 | 166.8 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | V | 23.5 | Very low | 23.8 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 53% | 0.527 | 75% | 0.746 | S | S | . | * | trans | -121.4 | 126.3 | 179.8 | -179 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 107 | A | 22.2 | Very low | 23.7 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | trans | -84.6 | 147.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 108 | P | 23.9 | Very low | 23.7 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | -86.3 | 117.2 | -173.5 | 32 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 109 | Y | 24.4 | Very low | 23.7 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | trans | -131.1 | 149 | 158.4 | -90 | -84.3 | 0 | 0 | 0 | 111.3 | ||||
| 110 | P | 27.1 | Very low | 23.6 | Very low | 99 Ų | 99 | 135 Ų | 135 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -94.4 | 147.4 | -176.9 | 35.9 | -27.4 | 0 | 0 | 0 | 110.8 | ||||
| 111 | T | 25.5 | Very low | 23.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | 163 | 145.1 | 124.5 | 39 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 112 | S | 24.2 | Very low | 23.7 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | 37.3 | 118.5 | 161.1 | 65.7 | 0 | 0 | 0 | 0 | 122.1 | E114 | S112-E114 PolarHBondContact O-N 2.84Š| ||
| 113 | L | 24.4 | Very low | 23.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -52.3 | 123.1 | 164.2 | -81.9 | 84.1 | 0 | 0 | 0 | 112.3 | ||||
| 114 | E | 24.3 | Very low | 23.9 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -141.4 | 128.2 | 144.9 | -75.5 | -165.4 | 154.7 | 0 | 0 | 111.1 | S112 | S112-E114 PolarHBondContact O-N 2.84Š| ||
| 115 | H | 23.6 | Very low | 24.6 | Very low | 179 Ų | 179 | 134 Ų | 134 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | 9.4 | 113 | 168.9 | -66 | -77.3 | 0 | 0 | 0 | 120.2 | R117 | H115-R117 PolarHBondContact O-N 3.45Š| ||
| 116 | I | 24.7 | Very low | 25 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -69.4 | 110 | 160.7 | -58.2 | 168.6 | 0 | 0 | 0 | 108.3 | ||||
| 117 | R | 22.7 | Very low | 25.4 | Very low | 222 Ų | 222 | 138.3 Ų | 138.3 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -100.6 | 114.5 | 167.9 | -94 | -176.8 | 175.6 | 162.6 | 0.4 | 109.6 | H115 S119 | H115-R117 PolarHBondContact O-N 3.45Å; R117-S119 PolarHBondContact O-N 2.91Å | ||
| 118 | L | 23.1 | Very low | 26.1 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -77.6 | 102.6 | 165.3 | -68.2 | 113.8 | 0 | 0 | 0 | 108.6 | ||||
| 119 | S | 22.8 | Very low | 26.6 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -95.4 | 120.3 | 169.3 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | R117 | R117-S119 PolarHBondContact O-N 2.91Š| ||
| 120 | N | 23.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | trans | -77.2 | 122 | 179.1 | -147.3 | -7.5 | 0 | 0 | 0 | 109.7 | T122 F158 | N120-T122 PolarHBondContact O-N 3.49Å; N120-F158 HydrophobicContact CB-CE1 4.18Å; N120-F158 WeakPolarHBondContact ND2-CE1 3.45Å; N120-F158 WeakPolarHBondContact ND2-CZ 3.43Å | ||
| 121 | I | 24.9 | Very low | 28 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 57% | 0.569 | 74% | 0.74 | S | S | * | * | trans | -75.3 | 109.2 | 172.6 | -64.1 | 173.9 | 0 | 0 | 0 | 107.1 | V59 T123 | V59-I121 HydrophobicContact CG2-CD1 4.5Å; I121-T123 VanDerWaalsContact C-N 3.32Å; I121-T123 HydrophobicContact CG2-CG2 4.4Å; I121-T123 PolarHBondContact O-N 3.46Å | ||
| 122 | T | 23.7 | Very low | 29 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | -67.7 | 85.6 | 171.2 | 46.4 | 0 | 0 | 0 | 0 | 110.1 | N120 | N120-T122 PolarHBondContact O-N 3.49Š| ||
| 123 | T | 24.7 | Very low | 30.2 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -79.6 | 118.3 | 155 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | I121 | I121-T123 VanDerWaalsContact C-N 3.32Å; I121-T123 HydrophobicContact CG2-CG2 4.4Å; I121-T123 PolarHBondContact O-N 3.46Å | ||
| 124 | S | 26.4 | Very low | 32 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | -58.9 | 137.2 | -167.4 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | K126 | S124-K126 PolarHBondContact O-N 2.96Š| ||
| 125 | L | 36.4 | Very low | 34.3 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 6.9 | 93.5 | 148.1 | -71.2 | 119.8 | 0 | 0 | 0 | 116.5 | ||
| 126 | K | 29 | Very low | 36.9 | Very low | 212 Ų | 212 | 124.6 Ų | 124.6 | 92% | 0.922 | 67% | 0.666 | S | S | * | * | trans | -168.3 | 50.7 | 154.7 | -109.8 | 170.5 | -166.2 | -176.5 | 0 | 113.9 | S124 | S124-K126 PolarHBondContact O-N 2.96Š| ||
| 127 | S | 33 | Very low | 39.6 | Very low | 66 Ų | 66 | 123.4 Ų | 123.4 | 46% | 0.462 | 66% | 0.656 | S | S | . | * | trans | -160.2 | 50.8 | 160.9 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | S129 | S127-S129 PolarHBondContact O-N 2.92Š| ||
| 128 | S | 36 | Very low | 42.3 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -66.3 | -24 | 170.4 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 129 | S | 34.8 | Very low | 45.2 | Very low | 97 Ų | 97 | 113.6 Ų | 113.6 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -78.9 | -26.5 | -177.9 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | S127 | S127-S129 PolarHBondContact O-N 2.92Š|
| 130 | N | 36.4 | Very low | 48.1 | Very low | 119 Ų | 119 | 113.4 Ų | 113.4 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -89.1 | -3.9 | -178 | -77.1 | -1.4 | 0 | 0 | 0 | 113.9 | L132 S133 | N130-L132 VanDerWaalsContact C-N 3.29Å; N130-L132 PolarHBondContact O-N 2.93Å; N130-S133 PolarHBondContact O-OG 3.41Å |
| 131 | K | 44.3 | Very low | 50.9 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -70 | -20.7 | -179.3 | -77.6 | -172.9 | 176.8 | -174.7 | 0 | 114.3 | S133 | K131-S133 PolarHBondContact O-N 2.81Š|
| 132 | L | 46.6 | Very low | 53.7 | Low | 103 Ų | 103 | 111 Ų | 111 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -71.8 | -14.3 | -177.3 | -147.4 | 74.9 | 0 | 0 | 0 | 113.5 | N130 I188 | N130-L132 VanDerWaalsContact C-N 3.29Å; N130-L132 PolarHBondContact O-N 2.93Å; L132-I188 HydrophobicContact CD2-CD1 4.17Å |
| 133 | S | 48.6 | Very low | 56.5 | Low | 99 Ų | 99 | 105.6 Ų | 105.6 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -87.1 | -9.8 | -167.9 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | N130 K131 | N130-S133 PolarHBondContact O-OG 3.41Å; K131-S133 PolarHBondContact O-N 2.81Å |
| 134 | R | 63.1 | Low | 59.2 | Low | 148 Ų | 148 | 103 Ų | 103 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | trans | -98.9 | 108.8 | -173.3 | -154.3 | 170.1 | -172.1 | 165.5 | 4.3 | 111 | S53 R156 | S53-R134 PolarHBondContact OG-NH2 3.41Å; R134-R156 PolarHBondContact O-NH1 3.36Å | ||
| 135 | F | 72.6 | Confident | 61.9 | Low | 130 Ų | 130 | 99.1 Ų | 99.1 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -51 | 146.4 | 168.5 | -72.5 | -72.2 | 0 | 0 | 0 | 111.9 | R156 I179 Y183 | F135-R156 VanDerWaalsContact C-NH1 3.33Å; F135-R156 PolarHBondContact O-NH1 3.42Å; F135-R156 PolarHBondContact O-NH2 2.92Å; F135-I179 HydrophobicContact CD1-CG2 3.68Å; F135-I179 HydrophobicContact CE1-CG2 3.92Å; F135-Y183 HydrophobicContact CD1-CD2 4.21Å; F135-Y183 HydrophobicContact CD1-CE2 4.32Å; F135-Y183 HydrophobicContact CE1-CD2 4.29Å |
| 136 | P | 78 | Confident | 64 | Low | 10 Ų | 10 | 92.7 Ų | 92.7 | 7% | 0.065 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 151.7 | -177.5 | 27.1 | -39.4 | 0 | 0 | 0 | 113.6 | R138 R156 W265 I268 | P136-R138 PolarHBondContact O-N 3.27Å; P136-R156 VanDerWaalsContact CA-NH2 3.28Å; P136-W265 HydrophobicContact CB-CD2 3.76Å; P136-W265 HydrophobicContact CB-CE3 4.45Å; P136-W265 HydrophobicContact CB-CG 3.93Å; P136-W265 HydrophobicContact CB-CZ2 4.27Å; P136-W265 HydrophobicContact CG-CD2 3.71Å; P136-W265 VanDerWaalsContact CG-CE2 3.49Å; P136-W265 HydrophobicContact CG-CE3 3.98Å; P136-W265 HydrophobicContact CG-CG 4.4Å; P136-W265 HydrophobicContact CG-CH2 4.03Å; P136-W265 HydrophobicContact CG-CZ2 3.69Å; P136-W265 HydrophobicContact CG-CZ3 4.14Å; P136-I268 HydrophobicContact CB-CD1 4.28Å; P136-I268 HydrophobicContact CB-CG1 4.12Å; P136-I268 HydrophobicContact CG-CD1 3.65Å; P136-I268 HydrophobicContact CG-CG1 4.02Å |
| 137 | K | 80.3 | Confident | 66.5 | Low | 120 Ų | 120 | 86.4 Ų | 86.4 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.6 | -178.1 | -174 | 175.4 | 178.8 | 179.2 | 0 | 107.7 | I139 P154 S266 G267 I268 | K137-I139 HydrophobicContact CD-CD1 4.3Å; K137-I139 HydrophobicContact CD-CG1 4.35Å; K137-I139 HydrophobicContact CG-CG1 4.16Å; K137-P154 HydrophobicContact CB-CB 4.37Å; K137-P154 HydrophobicContact CB-CG 4.22Å; K137-P154 HydrophobicContact CD-CB 3.97Å; K137-S266 PolarHBondContact N-O 2.98Å; K137-S266 VanDerWaalsContact N-O 3.15Å; K137-G267 CarbonylContact O-C 3.57Å; K137-G267 VanDerWaalsContact O-CA 3.25Å; K137-G267 WeakPolarHBondContact O-CA 3.08Å; K137-I268 PolarHBondContact O-N 3.31Å |
| 138 | R | 80.7 | Confident | 68.9 | Low | 140 Ų | 140 | 87.9 Ų | 87.9 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.3 | 173.7 | -65.3 | -176 | -66.5 | -175.2 | 1.8 | 109 | P136 I268 | P136-R138 PolarHBondContact O-N 3.27Å; R138-I268 CarbonylContact C-O 3.5Å; R138-I268 WeakPolarHBondContact CA-O 3.49Å; R138-I268 HydrophobicContact CG-CB 4.23Å; R138-I268 HydrophobicContact CG-CD1 4.13Å |
| 139 | I | 83.6 | Confident | 71.3 | Confident | 46 Ų | 46 | 83.2 Ų | 83.2 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.4 | 177.3 | -62 | 178.3 | 0 | 0 | 0 | 107.6 | K137 I141 P154 I268 I269 Y270 | K137-I139 HydrophobicContact CD-CD1 4.3Å; K137-I139 HydrophobicContact CD-CG1 4.35Å; K137-I139 HydrophobicContact CG-CG1 4.16Å; I139-I141 HydrophobicContact CG2-CG1 3.95Å; I139-P154 HydrophobicContact CD1-CB 3.75Å; I139-P154 HydrophobicContact CD1-CG 3.68Å; I139-I268 PolarHBondContact N-O 2.8Å; I139-I269 HydrophobicContact CB-CG1 4.37Å; I139-I269 CarbonylContact O-C 3.58Å; I139-I269 WeakPolarHBondContact O-CA 3.41Å; I139-Y270 PolarHBondContact O-N 3.24Å |
| 140 | T | 84 | Confident | 73.8 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.8 | 170.5 | -54.8 | 0 | 0 | 0 | 0 | 108 | Y270 | T140-Y270 CarbonylContact C-O 3.56Å; T140-Y270 WeakPolarHBondContact CA-O 3.22Å |
| 141 | I | 82.8 | Confident | 76.2 | Confident | 36 Ų | 36 | 77.8 Ų | 77.8 | 19% | 0.185 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.3 | 177.3 | -56 | 176.9 | 0 | 0 | 0 | 106.9 | I139 L149 I269 Y270 I271 D272 | I139-I141 HydrophobicContact CG2-CG1 3.95Å; I141-L149 HydrophobicContact CG2-CD1 3.73Å; I141-L149 HydrophobicContact CG2-CD2 4.24Å; I141-I269 HydrophobicContact CD1-CG2 3.94Å; I141-I269 HydrophobicContact CG1-CG2 4.44Å; I141-Y270 PolarHBondContact N-O 3.31Å; I141-I271 HydrophobicContact CB-CG1 4.3Å; I141-I271 HydrophobicContact CD1-CG1 4.47Å; I141-I271 CarbonylContact O-C 3.55Å; I141-I271 WeakPolarHBondContact O-CA 3.48Å; I141-D272 PolarHBondContact O-N 3.34Å |
| 142 | Q | 83.5 | Confident | 78.2 | Confident | 135 Ų | 135 | 74.7 Ų | 74.7 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.1 | 171.4 | -71.7 | -178.6 | -12.9 | 0 | 0 | 109 | D272 | Q142-D272 WeakPolarHBondContact CA-O 3.46Å; Q142-D272 HydrophobicContact CG-CB 4.15Å |
| 143 | V | 82.6 | Confident | 79.9 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.8 | -177.6 | 63 | 0 | 0 | 0 | 0 | 109.9 | E147 L149 T231 I271 D272 V273 L274 | V143-E147 HydrophobicContact CG2-CB 3.87Å; V143-L149 HydrophobicContact CG1-CD2 4.32Å; V143-L149 HydrophobicContact CG2-CB 4.48Å; V143-T231 HydrophobicContact CG1-CG2 3.77Å; V143-T231 HydrophobicContact CG2-CG2 4.02Å; V143-I271 HydrophobicContact CG1-CG2 3.94Å; V143-D272 PolarHBondContact N-O 3.33Å; V143-V273 HydrophobicContact CG1-CB 4.49Å; V143-V273 HydrophobicContact CG1-CG2 3.94Å; V143-V273 CarbonylContact O-C 3.53Å; V143-V273 WeakPolarHBondContact O-CA 3.42Å; V143-L274 PolarHBondContact O-N 3.27Å |
| 144 | N | 81.5 | Confident | 81.3 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 142.5 | 175.8 | -56.2 | -54.4 | 0 | 0 | 0 | 110.5 | G146 E147 T231 | N144-G146 PolarHBondContact O-N 3.43Å; N144-E147 HydrophobicContact CB-CG 4.12Å; N144-E147 PolarHBondContact N-OE2 3.08Å; N144-E147 PolarHBondContact ND2-OE1 2.86Å; N144-E147 PolarHBondContact ND2-OE2 3.39Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 3.41Å; N144-T231 PolarHBondContact O-OG1 2.75Å |
| 145 | E | 82.3 | Confident | 81.7 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 129.3 | 172.2 | -172.9 | -172.2 | 173.6 | 0 | 0 | 110.6 | V273 L274 Q276 R281 | E145-V273 HydrophobicContact CB-CG1 3.98Å; E145-L274 WeakPolarHBondContact CB-O 3.16Å; E145-L274 PolarHBondContact N-O 3.26Å; E145-Q276 HydrophobicContact CB-CB 4.37Å; E145-Q276 PolarHBondContact OE2-N 3.2Å; E145-R281 IonicContact OE1-CZ 3.67Å; E145-R281 IonicContact OE1-NH1 3.73Å; E145-R281 IonicContact OE1-NH2 2.76Å; E145-R281 PolarHBondContact OE1-NH2 3.41Å |
| 146 | G | 80.3 | Confident | 81.1 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -16.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N144 T231 | N144-G146 PolarHBondContact O-N 3.43Å; G146-T231 PolarHBondContact N-O 3.4Å |
| 147 | E | 81.4 | Confident | 79.9 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | trans | -81.4 | 145.3 | -179.4 | -69.7 | 176.2 | 174 | 0 | 0 | 111.6 | V143 N144 T231 | V143-E147 HydrophobicContact CG2-CB 3.87Å; N144-E147 HydrophobicContact CB-CG 4.12Å; N144-E147 PolarHBondContact N-OE2 3.08Å; N144-E147 PolarHBondContact ND2-OE1 2.86Å; N144-E147 PolarHBondContact ND2-OE2 3.39Å; N144-E147 WeakPolarHBondContact O-CB 3.34Å; N144-E147 PolarHBondContact O-N 3.41Å; E147-T231 WeakPolarHBondContact O-CG2 3.48Å; E147-T231 PolarHBondContact O-N 3.35Å; E147-T231 VanDerWaalsContact O-N 3.09Å; E147-T231 PolarHBondContact O-OG1 3.47Å; E147-T231 VanDerWaalsContact O-OG1 3.08Å | ||
| 148 | P | 84.6 | Confident | 78.7 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | trans | -70.1 | 148.5 | 169.7 | 31 | -34.4 | 0 | 0 | 0 | 110.7 | V228 | P148-V228 CarbonylContact C-O 3.45Å; P148-V228 VanDerWaalsContact CA-O 3.27Å; P148-V228 WeakPolarHBondContact CA-O 3.4Å | ||
| 149 | L | 85.3 | Confident | 77.5 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.5 | 179.9 | 174.3 | 64.5 | 0 | 0 | 0 | 110.7 | I141 V143 I151 V228 T231 I271 | I141-L149 HydrophobicContact CG2-CD1 3.73Å; I141-L149 HydrophobicContact CG2-CD2 4.24Å; V143-L149 HydrophobicContact CG1-CD2 4.32Å; V143-L149 HydrophobicContact CG2-CB 4.48Å; L149-I151 HydrophobicContact CD2-CD1 4.45Å; L149-I151 HydrophobicContact CD2-CG1 3.87Å; L149-I151 HydrophobicContact CG-CG1 3.98Å; L149-V228 HydrophobicContact CB-CB 4.17Å; L149-V228 HydrophobicContact CB-CG2 4.46Å; L149-V228 PolarHBondContact N-O 3.38Å; L149-V228 WeakPolarHBondContact O-CB 3.17Å; L149-V228 PolarHBondContact O-N 2.72Å; L149-T231 HydrophobicContact CB-CG2 3.87Å; L149-T231 HydrophobicContact CD2-CG2 4.37Å; L149-I271 HydrophobicContact CD2-CD1 3.96Å; L149-I271 HydrophobicContact CD2-CG1 4.12Å; L149-I271 HydrophobicContact CD2-CG2 3.82Å |
| 150 | I | 87 | Confident | 76.3 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 52% | 0.518 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.5 | 167.8 | -55.1 | 177.4 | 0 | 0 | 0 | 108.1 | T152 N225 I226 I227 | I150-T152 HydrophobicContact CG2-CG2 4.08Å; I150-N225 HydrophobicContact CG2-CB 4.22Å; I150-I226 CarbonylContact C-O 3.56Å; I150-I226 WeakPolarHBondContact CA-O 3.32Å; I150-I227 HydrophobicContact CG1-CG1 4.45Å |
| 151 | I | 86.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.9 | 179.9 | -47.7 | 165.3 | 0 | 0 | 0 | 107.8 | L149 W165 N225 I226 V228 L245 I269 I271 | L149-I151 HydrophobicContact CD2-CD1 4.45Å; L149-I151 HydrophobicContact CD2-CG1 3.87Å; L149-I151 HydrophobicContact CG-CG1 3.98Å; I151-W165 HydrophobicContact CG2-CH2 3.85Å; I151-W165 HydrophobicContact CG2-CZ3 4.08Å; I151-N225 WeakPolarHBondContact O-CB 3.17Å; I151-I226 HydrophobicContact CB-CB 4.1Å; I151-I226 HydrophobicContact CD1-CB 4.09Å; I151-I226 HydrophobicContact CD1-CD1 4.49Å; I151-I226 HydrophobicContact CD1-CG2 4.15Å; I151-I226 HydrophobicContact CG1-CB 4.42Å; I151-I226 PolarHBondContact N-O 3.08Å; I151-I226 PolarHBondContact O-N 3.38Å; I151-V228 HydrophobicContact CD1-CG2 3.73Å; I151-V228 HydrophobicContact CG1-CG2 4.22Å; I151-L245 HydrophobicContact CD1-CD1 4.03Å; I151-L245 HydrophobicContact CG2-CD1 4.27Å; I151-I269 HydrophobicContact CG2-CD1 4.08Å; I151-I269 HydrophobicContact CG2-CG2 3.93Å; I151-I271 HydrophobicContact CD1-CD1 3.28Å; I151-I271 HydrophobicContact CG1-CD1 3.7Å; I151-I271 HydrophobicContact CG2-CD1 4.31Å |
| 152 | T | 86.4 | Confident | 75.3 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -100 | 140.5 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | I150 N225 I269 | I150-T152 HydrophobicContact CG2-CG2 4.08Å; T152-N225 WeakPolarHBondContact CA-OD1 3.44Å; T152-N225 HydrophobicContact CG2-CB 4.3Å; T152-I269 WeakPolarHBondContact O-CD1 3.5Å |
| 153 | C | 83.3 | Confident | 75.4 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 130.5 | 173 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | I155 I163 W165 C247 | C153-I155 PolarHBondContact O-N 2.81Å; C153-I163 HydrophobicContact CB-CD1 3.82Å; C153-I163 HydrophobicContact CB-CG1 4.36Å; C153-I163 HydrophobicContact CB-CG2 3.93Å; C153-W165 HydrophobicContact CB-CH2 4.06Å; C153-W165 HydrophobicContact CB-CZ2 4.13Å; C153-C247 VanDerWaalsContact CA-SG 3.57Å; C153-C247 HydrophobicContact CB-CB 3.67Å; C153-C247 WeakPolarHBondContact CB-SG 3.4Å; C153-C247 WeakPolarHBondContact SG-CB 3.34Å; C153-C247 CovalentContact SG-SG 2.04Å; C153-C247 PolarHBondContact SG-SG 3.02Å |
| 154 | P | 78.6 | Confident | 75.7 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 140.7 | 172.4 | 22 | -31.3 | 0 | 0 | 0 | 110.8 | K137 I139 H249 S266 | K137-P154 HydrophobicContact CB-CB 4.37Å; K137-P154 HydrophobicContact CB-CG 4.22Å; K137-P154 HydrophobicContact CD-CB 3.97Å; I139-P154 HydrophobicContact CD1-CB 3.75Å; I139-P154 HydrophobicContact CD1-CG 3.68Å; P154-H249 PolarHBondContact O-NE2 2.93Å; P154-S266 VanDerWaalsContact O-CB 3.31Å; P154-S266 WeakPolarHBondContact O-CB 3.42Å |
| 155 | I | 70 | Confident | 76.2 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 132.5 | -179.1 | -59 | 160.5 | 0 | 0 | 0 | 108.7 | C153 G157 I159 | C153-I155 PolarHBondContact O-N 2.81Å; I155-G157 WeakPolarHBondContact CG2-O 3.4Å; I155-I159 HydrophobicContact CB-CG1 4.45Å; I155-I159 HydrophobicContact CD1-CD1 3.26Å; I155-I159 HydrophobicContact CD1-CG1 4.06Å; I155-I159 HydrophobicContact CG1-CD1 3.51Å; I155-I159 HydrophobicContact CG1-CG1 3.84Å; I155-I159 HydrophobicContact CG2-CD1 4.23Å; I155-I159 HydrophobicContact CG2-CG1 3.77Å |
| 156 | R | 60.1 | Low | 76.6 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 25% | 0.249 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -112.8 | 10.1 | 176.3 | -71.8 | -165.3 | 172.7 | -143.3 | -32.7 | 114.3 | R134 F135 P136 D264 S266 | R134-R156 PolarHBondContact O-NH1 3.36Å; F135-R156 VanDerWaalsContact C-NH1 3.33Å; F135-R156 PolarHBondContact O-NH1 3.42Å; F135-R156 PolarHBondContact O-NH2 2.92Å; P136-R156 VanDerWaalsContact CA-NH2 3.28Å; R156-D264 WeakPolarHBondContact CB-OD2 3.45Å; R156-S266 PolarHBondContact NE-O 3.23Å |
| 157 | G | 53.4 | Low | 77.2 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 167.4 | -149.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I155 I159 | I155-G157 WeakPolarHBondContact CG2-O 3.4Å; G157-I159 PolarHBondContact O-N 3.48Å |
| 158 | F | 54.4 | Low | 77.7 | Confident | 118 Ų | 118 | 50.8 Ų | 50.8 | 52% | 0.518 | 27% | 0.272 | S | S | . | . | trans | -70.8 | 126.6 | 176.9 | -64.6 | -93.5 | 0 | 0 | 0 | 110.5 | N120 E160 | N120-F158 HydrophobicContact CB-CE1 4.18Å; N120-F158 WeakPolarHBondContact ND2-CE1 3.45Å; N120-F158 WeakPolarHBondContact ND2-CZ 3.43Å; F158-E160 HydrophobicContact CB-CG 4.36Å; F158-E160 PolarHBondContact O-N 2.77Å | ||
| 159 | I | 56.7 | Low | 77.9 | Confident | 97 Ų | 97 | 47 Ų | 47 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | trans | -83.7 | 98.4 | 170.5 | -51.4 | 164.9 | 0 | 0 | 0 | 107.3 | I155 G157 | I155-I159 HydrophobicContact CB-CG1 4.45Å; I155-I159 HydrophobicContact CD1-CD1 3.26Å; I155-I159 HydrophobicContact CD1-CG1 4.06Å; I155-I159 HydrophobicContact CG1-CD1 3.51Å; I155-I159 HydrophobicContact CG1-CG1 3.84Å; I155-I159 HydrophobicContact CG2-CD1 4.23Å; I155-I159 HydrophobicContact CG2-CG1 3.77Å; G157-I159 PolarHBondContact O-N 3.48Å | ||
| 160 | E | 57.4 | Low | 77.9 | Confident | 136 Ų | 136 | 52.5 Ų | 52.5 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | trans | -108.7 | -12.6 | 173.9 | -69.9 | -175.4 | -175 | 0 | 0 | 112.9 | F158 I261 | F158-E160 HydrophobicContact CB-CG 4.36Å; F158-E160 PolarHBondContact O-N 2.77Å; E160-I261 VanDerWaalsContact CD-CD1 3.47Å; E160-I261 HydrophobicContact CG-CD1 4.32Å; E160-I261 WeakPolarHBondContact OE2-CD1 3.43Å | ||
| 161 | K | 68.2 | Low | 77.9 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -135.9 | 155.5 | -166.6 | -68.5 | -175.7 | -180 | 179.8 | 0 | 111.5 | G250 D260 I261 | K161-G250 VanDerWaalsContact CB-CA 3.48Å; K161-D260 IonicContact NZ-OD1 2.89Å; K161-D260 PolarHBondContact NZ-OD1 3.3Å; K161-I261 PolarHBondContact NZ-O 3.42Å |
| 162 | P | 78.8 | Confident | 77.9 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 156.4 | -178.5 | 26.1 | -36.2 | 0 | 0 | 0 | 112.6 | Y224 G250 | P162-Y224 HydrophobicContact CB-CD1 3.9Å; P162-Y224 HydrophobicContact CB-CD2 3.99Å; P162-Y224 HydrophobicContact CB-CE1 3.72Å; P162-Y224 HydrophobicContact CB-CE2 3.83Å; P162-Y224 HydrophobicContact CB-CG 4.03Å; P162-G250 CarbonylContact O-C 3.57Å; P162-G250 PolarHBondContact O-N 2.9Å |
| 163 | I | 85.4 | Confident | 78 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.6 | 178.3 | -56.8 | 166.9 | 0 | 0 | 0 | 109.3 | C153 W165 C247 I248 | C153-I163 HydrophobicContact CB-CD1 3.82Å; C153-I163 HydrophobicContact CB-CG1 4.36Å; C153-I163 HydrophobicContact CB-CG2 3.93Å; I163-W165 HydrophobicContact CG2-CD2 4.14Å; I163-W165 HydrophobicContact CG2-CG 4.4Å; I163-W165 HydrophobicContact CG2-CZ2 3.89Å; I163-C247 HydrophobicContact CG2-CB 3.95Å; I163-I248 WeakPolarHBondContact CA-O 3.29Å |
| 164 | T | 88 | Confident | 78.4 | Confident | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.1 | 170.9 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | L166 Q204 C247 I248 G250 P252 | T164-L166 HydrophobicContact CG2-CD2 4.36Å; T164-Q204 HydrophobicContact CG2-CG 4.18Å; T164-C247 WeakPolarHBondContact O-CA 3.17Å; T164-I248 PolarHBondContact N-O 3.29Å; T164-I248 PolarHBondContact O-N 2.61Å; T164-G250 PolarHBondContact OG1-O 3.38Å; T164-P252 HydrophobicContact CG2-CG 3.81Å; T164-P252 WeakPolarHBondContact OG1-CD 3.4Å |
| 165 | W | 91.6 | Very high | 78.9 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.9 | -178.2 | -65.7 | 97.3 | 0 | 0 | 0 | 111.4 | I151 C153 I163 Q204 V205 F207 Y224 I226 L245 I246 C247 I269 | I151-W165 HydrophobicContact CG2-CH2 3.85Å; I151-W165 HydrophobicContact CG2-CZ3 4.08Å; C153-W165 HydrophobicContact CB-CH2 4.06Å; C153-W165 HydrophobicContact CB-CZ2 4.13Å; I163-W165 HydrophobicContact CG2-CD2 4.14Å; I163-W165 HydrophobicContact CG2-CG 4.4Å; I163-W165 HydrophobicContact CG2-CZ2 3.89Å; W165-Q204 WeakPolarHBondContact O-CG 3.25Å; W165-V205 HydrophobicContact CB-CB 4.02Å; W165-V205 HydrophobicContact CB-CG2 3.97Å; W165-V205 PolarHBondContact O-N 2.76Å; W165-F207 HydrophobicContact CB-CE2 4.2Å; W165-F207 HydrophobicContact CB-CZ 4.13Å; W165-F207 AromaticContact CD1-CE2 3.79Å; W165-F207 AromaticContact CD1-CZ 3.63Å; W165-F207 HydrophobicContact CG-CE2 4.26Å; W165-F207 AromaticContact CG-CZ 3.97Å; W165-F207 HydrophobicContact CG-CZ 3.97Å; W165-Y224 PolarHBondContact NE1-O 3.34Å; W165-I226 HydrophobicContact CB-CD1 4.5Å; W165-I226 HydrophobicContact CD2-CD1 3.59Å; W165-I226 HydrophobicContact CD2-CG1 4.04Å; W165-I226 HydrophobicContact CE3-CD1 3.87Å; W165-I226 HydrophobicContact CG-CD1 3.87Å; W165-I226 HydrophobicContact CG-CG1 4.35Å; W165-I226 HydrophobicContact CZ2-CD1 4.28Å; W165-I226 HydrophobicContact CZ2-CG1 4.02Å; W165-I226 HydrophobicContact CZ3-CD1 4.3Å; W165-L245 HydrophobicContact CE3-CB 4.06Å; W165-L245 HydrophobicContact CE3-CD1 3.97Å; W165-L245 HydrophobicContact CZ3-CB 4.16Å; W165-L245 HydrophobicContact CZ3-CD1 3.96Å; W165-I246 WeakPolarHBondContact CA-O 3.2Å; W165-C247 HydrophobicContact CD2-CB 4.19Å; W165-C247 HydrophobicContact CE3-CB 3.71Å; W165-C247 HydrophobicContact CH2-CB 3.93Å; W165-C247 HydrophobicContact CZ2-CB 4.38Å; W165-C247 HydrophobicContact CZ3-CB 3.6Å; W165-I269 HydrophobicContact CH2-CD1 3.71Å; W165-I269 HydrophobicContact CZ3-CD1 3.58Å |
| 166 | L | 92.5 | Very high | 79.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148.6 | 177.3 | -54.3 | 175.9 | 0 | 0 | 0 | 109.8 | T164 A168 L198 I199 L202 Q204 L245 I246 I248 | T164-L166 HydrophobicContact CG2-CD2 4.36Å; L166-A168 PolarHBondContact O-N 3.39Å; L166-L198 HydrophobicContact CD1-CB 3.79Å; L166-I199 HydrophobicContact CD1-CG1 4.14Å; L166-I199 HydrophobicContact CD2-CG1 4.18Å; L166-L202 HydrophobicContact CB-CB 4.31Å; L166-L202 HydrophobicContact CB-CD1 4.2Å; L166-L202 HydrophobicContact CD1-CB 4.42Å; L166-L202 HydrophobicContact CD1-CD1 4.2Å; L166-Q204 HydrophobicContact CD2-CB 3.8Å; L166-Q204 HydrophobicContact CD2-CG 4.12Å; L166-L245 WeakPolarHBondContact O-CA 3.45Å; L166-I246 HydrophobicContact CB-CB 4.23Å; L166-I246 HydrophobicContact CD1-CG2 4.44Å; L166-I246 PolarHBondContact N-O 2.82Å; L166-I246 PolarHBondContact O-N 3.2Å; L166-I248 HydrophobicContact CD1-CD1 3.74Å |
| 167 | Y | 92.5 | Very high | 81.3 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.8 | 169.6 | -69.4 | -80.5 | 0 | 0 | 0 | 109.7 | K203 V205 K240 L242 | Y167-K203 HydrophobicContact CD2-CB 4.24Å; Y167-K203 HydrophobicContact CD2-CG 4.39Å; Y167-K203 WeakPolarHBondContact CD2-O 3.26Å; Y167-K203 PolarHBondContact N-O 3.43Å; Y167-V205 HydrophobicContact CD1-CG2 4.49Å; Y167-V205 HydrophobicContact CD2-CG2 4.02Å; Y167-V205 HydrophobicContact CE1-CG2 4.32Å; Y167-V205 HydrophobicContact CE2-CB 4.31Å; Y167-V205 HydrophobicContact CE2-CG2 3.81Å; Y167-V205 HydrophobicContact CG-CG2 4.35Å; Y167-K240 HydrophobicContact CE1-CB 4.35Å; Y167-L242 HydrophobicContact CE1-CD2 3.68Å |
| 168 | A | 91.3 | Very high | 83.1 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 7% | 0.066 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 151.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L166 L175 N244 I246 | L166-A168 PolarHBondContact O-N 3.39Å; A168-L175 HydrophobicContact CB-CD1 4.45Å; A168-N244 HydrophobicContact CB-CB 3.98Å; A168-N244 PolarHBondContact N-O 2.98Å; A168-I246 HydrophobicContact CB-CD1 3.86Å; A168-I246 HydrophobicContact CB-CG1 3.77Å |
| 169 | P | 89.4 | Confident | 84.7 | Confident | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.104 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 140.4 | 169.7 | -22.3 | 32.8 | 0 | 0 | 0 | 112 | N171 E174 L175 L178 L202 | P169-N171 VanDerWaalsContact C-N 3.35Å; P169-E174 HydrophobicContact CB-CB 4.07Å; P169-E174 HydrophobicContact CB-CG 3.88Å; P169-E174 HydrophobicContact CG-CG 4.13Å; P169-L175 HydrophobicContact CB-CB 4.48Å; P169-L178 HydrophobicContact CG-CD2 4.33Å; P169-L202 HydrophobicContact CG-CD2 4.36Å |
| 170 | D | 85.1 | Confident | 86.2 | Confident | 136 Ų | 136 | 60.3 Ų | 60.3 | 73% | 0.727 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -73.4 | -29.4 | 177.9 | -60.4 | -34.6 | 0 | 0 | 0 | 112.2 | N244 | D170-N244 WeakPolarHBondContact CA-ND2 3.38Å; D170-N244 PolarHBondContact OD1-ND2 2.76Å |
| 171 | N | 86.8 | Confident | 87.8 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -81.3 | 124 | 177.8 | -174.3 | -5.3 | 0 | 0 | 0 | 110.7 | P169 D173 E174 L175 | P169-N171 VanDerWaalsContact C-N 3.35Å; N171-D173 VanDerWaalsContact C-N 3.27Å; N171-D173 PolarHBondContact O-N 3.08Å; N171-D173 PolarHBondContact OD1-N 2.92Å; N171-E174 HydrophobicContact CB-CB 4Å; N171-E174 PolarHBondContact O-N 3.38Å; N171-L175 PolarHBondContact O-N 3.19Å |
| 172 | F | 86.3 | Confident | 88.7 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 48% | 0.478 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.2 | -39.3 | 176 | -177.5 | -98.8 | 0 | 0 | 0 | 112.9 | L175 M176 | F172-L175 PolarHBondContact O-N 3.42Å; F172-M176 HydrophobicContact CD1-CG 4.06Å; F172-M176 HydrophobicContact CE1-CG 3.59Å; F172-M176 HydrophobicContact CE2-CG 4.15Å; F172-M176 HydrophobicContact CE2-SD 4.34Å; F172-M176 HydrophobicContact CZ-CG 3.64Å; F172-M176 HydrophobicContact CZ-SD 3.98Å; F172-M176 WeakPolarHBondContact O-CB 3.29Å; F172-M176 WeakPolarHBondContact O-CG 3.32Å; F172-M176 PolarHBondContact O-N 2.82Å |
| 173 | D | 89.4 | Confident | 89 | Confident | 117 Ų | 117 | 53.1 Ų | 53.1 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | 180 | -68.9 | -33.8 | 0 | 0 | 0 | 111.9 | N171 M176 K177 | N171-D173 VanDerWaalsContact C-N 3.27Å; N171-D173 PolarHBondContact O-N 3.08Å; N171-D173 PolarHBondContact OD1-N 2.92Å; D173-M176 PolarHBondContact O-N 3.08Å; D173-K177 WeakPolarHBondContact O-CB 3.3Å; D173-K177 PolarHBondContact O-N 3.44Å |
| 174 | E | 91.4 | Very high | 89.1 | Confident | 113 Ų | 113 | 55.9 Ų | 55.9 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 177 | -173.8 | 177 | -175 | 0 | 0 | 110.9 | P169 N171 K177 L178 | P169-E174 HydrophobicContact CB-CB 4.07Å; P169-E174 HydrophobicContact CB-CG 3.88Å; P169-E174 HydrophobicContact CG-CG 4.13Å; N171-E174 HydrophobicContact CB-CB 4Å; N171-E174 PolarHBondContact O-N 3.38Å; E174-K177 WeakPolarHBondContact O-CB 3.35Å; E174-K177 PolarHBondContact O-N 3.19Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.07Å |
| 175 | L | 89.3 | Confident | 89 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.1 | 178.1 | 74.6 | 0 | 0 | 0 | 111.8 | A168 P169 N171 F172 K177 L178 I179 I246 I268 Y270 | A168-L175 HydrophobicContact CB-CD1 4.45Å; P169-L175 HydrophobicContact CB-CB 4.48Å; N171-L175 PolarHBondContact O-N 3.19Å; F172-L175 PolarHBondContact O-N 3.42Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.38Å; L175-L178 HydrophobicContact CD1-CD2 4.33Å; L175-L178 WeakPolarHBondContact O-CB 3.07Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-L178 VanDerWaalsContact O-N 3.11Å; L175-I179 HydrophobicContact CD1-CG1 4.47Å; L175-I179 HydrophobicContact CD2-CD1 4.43Å; L175-I179 HydrophobicContact CG-CD1 4.04Å; L175-I179 HydrophobicContact CG-CG1 4.39Å; L175-I179 WeakPolarHBondContact O-CG1 3.49Å; L175-I179 PolarHBondContact O-N 2.96Å; L175-I246 HydrophobicContact CD1-CD1 4.12Å; L175-I268 HydrophobicContact CD1-CD1 4.41Å; L175-I268 HydrophobicContact CD2-CD1 4.35Å; L175-I268 HydrophobicContact CD2-CG2 4.07Å; L175-Y270 HydrophobicContact CD2-CE1 4.26Å; L175-Y270 WeakPolarHBondContact CD2-OH 3.28Å |
| 176 | M | 88.2 | Confident | 88.9 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 178.8 | -78.5 | -52.2 | -37 | 0 | 0 | 111.9 | F172 D173 I179 K180 | F172-M176 HydrophobicContact CD1-CG 4.06Å; F172-M176 HydrophobicContact CE1-CG 3.59Å; F172-M176 HydrophobicContact CE2-CG 4.15Å; F172-M176 HydrophobicContact CE2-SD 4.34Å; F172-M176 HydrophobicContact CZ-CG 3.64Å; F172-M176 HydrophobicContact CZ-SD 3.98Å; F172-M176 WeakPolarHBondContact O-CB 3.29Å; F172-M176 WeakPolarHBondContact O-CG 3.32Å; F172-M176 PolarHBondContact O-N 2.82Å; D173-M176 PolarHBondContact O-N 3.08Å; M176-I179 HydrophobicContact CE-CB 4.48Å; M176-I179 HydrophobicContact CE-CD1 4.18Å; M176-I179 HydrophobicContact SD-CD1 3.89Å; M176-K180 WeakPolarHBondContact O-CB 3.46Å; M176-K180 VanDerWaalsContact O-CG 3.32Å; M176-K180 WeakPolarHBondContact O-CG 3.33Å; M176-K180 PolarHBondContact O-N 2.61Å |
| 177 | K | 91.3 | Very high | 88.6 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 170.9 | -175.1 | -179.5 | 178.8 | -177.1 | 0 | 110.8 | D173 E174 L175 I179 K180 T181 | D173-K177 WeakPolarHBondContact O-CB 3.3Å; D173-K177 PolarHBondContact O-N 3.44Å; E174-K177 WeakPolarHBondContact O-CB 3.35Å; E174-K177 PolarHBondContact O-N 3.19Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.38Å; K177-I179 PolarHBondContact O-N 3.31Å; K177-K180 PolarHBondContact O-N 2.83Å; K177-T181 WeakPolarHBondContact O-CB 3.34Å; K177-T181 PolarHBondContact O-N 3.43Å; K177-T181 PolarHBondContact O-OG1 3.37Å |
| 178 | L | 91.5 | Very high | 88.2 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 176.9 | -174.7 | 79.2 | 0 | 0 | 0 | 112 | P169 E174 L175 T181 A182 Y197 L198 T201 L202 I246 | P169-L178 HydrophobicContact CG-CD2 4.33Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.07Å; L175-L178 HydrophobicContact CD1-CD2 4.33Å; L175-L178 WeakPolarHBondContact O-CB 3.07Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-L178 VanDerWaalsContact O-N 3.11Å; L178-T181 PolarHBondContact O-N 3.02Å; L178-A182 WeakPolarHBondContact O-CB 3.18Å; L178-A182 PolarHBondContact O-N 2.8Å; L178-Y197 HydrophobicContact CD1-CE1 3.76Å; L178-Y197 HydrophobicContact CG-CE1 4.46Å; L178-L198 HydrophobicContact CD1-CD2 4.35Å; L178-L198 HydrophobicContact CD2-CD2 3.71Å; L178-L198 HydrophobicContact CG-CD2 3.95Å; L178-T201 HydrophobicContact CD1-CG2 3.82Å; L178-L202 HydrophobicContact CD2-CD1 3.83Å; L178-L202 HydrophobicContact CD2-CD2 4Å; L178-L202 HydrophobicContact CD2-CG 4.18Å; L178-I246 HydrophobicContact CD2-CD1 4.21Å |
| 179 | I | 88.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 177.2 | -64 | 165 | 0 | 0 | 0 | 109.9 | F135 L175 M176 K177 T181 A182 Y183 W265 I268 | F135-I179 HydrophobicContact CD1-CG2 3.68Å; F135-I179 HydrophobicContact CE1-CG2 3.92Å; L175-I179 HydrophobicContact CD1-CG1 4.47Å; L175-I179 HydrophobicContact CD2-CD1 4.43Å; L175-I179 HydrophobicContact CG-CD1 4.04Å; L175-I179 HydrophobicContact CG-CG1 4.39Å; L175-I179 WeakPolarHBondContact O-CG1 3.49Å; L175-I179 PolarHBondContact O-N 2.96Å; M176-I179 HydrophobicContact CE-CB 4.48Å; M176-I179 HydrophobicContact CE-CD1 4.18Å; M176-I179 HydrophobicContact SD-CD1 3.89Å; K177-I179 PolarHBondContact O-N 3.31Å; I179-T181 VanDerWaalsContact C-N 3.32Å; I179-T181 PolarHBondContact O-N 2.89Å; I179-A182 PolarHBondContact O-N 2.94Å; I179-Y183 HydrophobicContact CG2-CD2 4.14Å; I179-Y183 HydrophobicContact CG2-CE2 4.41Å; I179-Y183 WeakPolarHBondContact O-CD2 3.45Å; I179-Y183 PolarHBondContact O-N 3.48Å; I179-Y183 VanDerWaalsContact O-N 3.15Å; I179-W265 HydrophobicContact CB-CH2 4.18Å; I179-W265 HydrophobicContact CG1-CH2 3.48Å; I179-W265 VanDerWaalsContact CG1-CH2 3.48Å; I179-W265 HydrophobicContact CG1-CZ2 4.17Å; I179-W265 HydrophobicContact CG1-CZ3 4.26Å; I179-W265 HydrophobicContact CG2-CH2 4.48Å; I179-W265 HydrophobicContact CG2-CZ3 4.48Å; I179-I268 HydrophobicContact CD1-CD1 3.56Å; I179-I268 HydrophobicContact CG1-CD1 4.08Å |
| 180 | K | 88.2 | Confident | 87.9 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | -179.7 | -74.3 | 176.8 | 179.8 | -179.2 | 0 | 112.1 | M176 K177 N184 | M176-K180 WeakPolarHBondContact O-CB 3.46Å; M176-K180 VanDerWaalsContact O-CG 3.32Å; M176-K180 WeakPolarHBondContact O-CG 3.33Å; M176-K180 PolarHBondContact O-N 2.61Å; K177-K180 PolarHBondContact O-N 2.83Å; K180-N184 PolarHBondContact O-N 3.06Å |
| 181 | T | 90.2 | Very high | 87.8 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.4 | K177 L178 I179 Y183 N184 T187 Y197 | K177-T181 WeakPolarHBondContact O-CB 3.34Å; K177-T181 PolarHBondContact O-N 3.43Å; K177-T181 PolarHBondContact O-OG1 3.37Å; L178-T181 PolarHBondContact O-N 3.02Å; I179-T181 VanDerWaalsContact C-N 3.32Å; I179-T181 PolarHBondContact O-N 2.89Å; T181-Y183 VanDerWaalsContact C-N 3.28Å; T181-Y183 PolarHBondContact O-N 2.83Å; T181-N184 VanDerWaalsContact O-CB 3.24Å; T181-N184 WeakPolarHBondContact O-CB 3.3Å; T181-N184 PolarHBondContact O-N 3.35Å; T181-T187 WeakPolarHBondContact O-CB 3.32Å; T181-T187 WeakPolarHBondContact O-CG2 3.47Å; T181-T187 PolarHBondContact O-OG1 2.83Å; T181-T187 VanDerWaalsContact O-OG1 3.05Å; T181-Y197 HydrophobicContact CG2-CE1 4.19Å; T181-Y197 HydrophobicContact CG2-CE2 4.05Å; T181-Y197 VanDerWaalsContact CG2-OH 3.28Å; T181-Y197 WeakPolarHBondContact CG2-OH 2.86Å |
| 182 | A | 87.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L178 I179 P194 Y197 W265 | L178-A182 WeakPolarHBondContact O-CB 3.18Å; L178-A182 PolarHBondContact O-N 2.8Å; I179-A182 PolarHBondContact O-N 2.94Å; A182-P194 HydrophobicContact CB-CB 4.15Å; A182-Y197 HydrophobicContact CB-CD1 3.53Å; A182-Y197 HydrophobicContact CB-CE1 3.92Å; A182-W265 HydrophobicContact CB-CZ3 4.05Å |
| 183 | Y | 85.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 6.2 | 176.8 | -74 | -84.2 | 0 | 0 | 0 | 113.8 | F135 I179 T181 P194 W265 | F135-Y183 HydrophobicContact CD1-CD2 4.21Å; F135-Y183 HydrophobicContact CD1-CE2 4.32Å; F135-Y183 HydrophobicContact CE1-CD2 4.29Å; I179-Y183 HydrophobicContact CG2-CD2 4.14Å; I179-Y183 HydrophobicContact CG2-CE2 4.41Å; I179-Y183 WeakPolarHBondContact O-CD2 3.45Å; I179-Y183 PolarHBondContact O-N 3.48Å; I179-Y183 VanDerWaalsContact O-N 3.15Å; T181-Y183 VanDerWaalsContact C-N 3.28Å; T181-Y183 PolarHBondContact O-N 2.83Å; Y183-P194 HydrophobicContact CD1-CG 4.04Å; Y183-P194 HydrophobicContact CE1-CB 4.49Å; Y183-P194 HydrophobicContact CE1-CG 3.98Å; Y183-W265 HydrophobicContact CD2-CE3 4.47Å; Y183-W265 HydrophobicContact CD2-CZ3 4.22Å; Y183-W265 AromaticContact CE2-CE3 3.53Å; Y183-W265 HydrophobicContact CE2-CE3 3.53Å; Y183-W265 AromaticContact CE2-CZ3 3.64Å; Y183-W265 HydrophobicContact CE2-CZ3 3.64Å |
| 184 | N | 86.6 | Confident | 87.1 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | trans | -71.5 | 137.4 | 174.3 | -170 | -3.2 | 0 | 0 | 0 | 110 | K180 T181 T186 T187 I188 | K180-N184 PolarHBondContact O-N 3.06Å; T181-N184 VanDerWaalsContact O-CB 3.24Å; T181-N184 WeakPolarHBondContact O-CB 3.3Å; T181-N184 PolarHBondContact O-N 3.35Å; N184-T186 VanDerWaalsContact C-N 3.27Å; N184-T186 PolarHBondContact ND2-OG1 2.9Å; N184-T186 PolarHBondContact O-N 3.18Å; N184-T187 PolarHBondContact O-N 2.87Å; N184-T187 VanDerWaalsContact O-N 3.12Å; N184-I188 WeakPolarHBondContact O-CG1 3.25Å; N184-I188 PolarHBondContact O-N 3.03Å | ||
| 185 | Y | 86.1 | Confident | 86.8 | Confident | 169 Ų | 169 | 61 Ų | 61 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -54.4 | -41.6 | 179 | -178.4 | -107.4 | 0 | 0 | 0 | 112.7 | T187 I188 I189 | Y185-T187 PolarHBondContact O-N 2.76Å; Y185-I188 PolarHBondContact O-N 3.02Å; Y185-I189 HydrophobicContact CD1-CD1 3.71Å; Y185-I189 HydrophobicContact CE1-CD1 3.21Å; Y185-I189 HydrophobicContact CE1-CG1 4.25Å; Y185-I189 HydrophobicContact CE2-CD1 4.26Å; Y185-I189 HydrophobicContact CG-CD1 4.42Å; Y185-I189 WeakPolarHBondContact O-CG1 3.48Å; Y185-I189 PolarHBondContact O-N 2.81Å |
| 186 | T | 90.1 | Very high | 86.6 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | N184 I189 Q190 | N184-T186 VanDerWaalsContact C-N 3.27Å; N184-T186 PolarHBondContact ND2-OG1 2.9Å; N184-T186 PolarHBondContact O-N 3.18Å; T186-I189 PolarHBondContact O-N 2.86Å; T186-Q190 WeakPolarHBondContact O-CG 3.33Å; T186-Q190 PolarHBondContact O-N 3.12Å; T186-Q190 VanDerWaalsContact O-N 3.15Å |
| 187 | T | 86.6 | Confident | 86.6 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | T181 N184 Y185 I189 Q190 H191 Y197 | T181-T187 WeakPolarHBondContact O-CB 3.32Å; T181-T187 WeakPolarHBondContact O-CG2 3.47Å; T181-T187 PolarHBondContact O-OG1 2.83Å; T181-T187 VanDerWaalsContact O-OG1 3.05Å; N184-T187 PolarHBondContact O-N 2.87Å; N184-T187 VanDerWaalsContact O-N 3.12Å; Y185-T187 PolarHBondContact O-N 2.76Å; T187-I189 VanDerWaalsContact C-N 3.35Å; T187-I189 PolarHBondContact O-N 2.77Å; T187-Q190 PolarHBondContact O-N 2.98Å; T187-H191 WeakPolarHBondContact O-CB 3.33Å; T187-H191 PolarHBondContact O-N 2.9Å; T187-Y197 HydrophobicContact CG2-CD1 4.22Å; T187-Y197 HydrophobicContact CG2-CD2 3.41Å; T187-Y197 VanDerWaalsContact CG2-CD2 3.41Å; T187-Y197 HydrophobicContact CG2-CE2 3.98Å; T187-Y197 HydrophobicContact CG2-CG 3.53Å |
| 188 | I | 83.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 175.6 | -67.4 | 164.7 | 0 | 0 | 0 | 111 | L132 N184 Y185 K192 P194 | L132-I188 HydrophobicContact CD2-CD1 4.17Å; N184-I188 WeakPolarHBondContact O-CG1 3.25Å; N184-I188 PolarHBondContact O-N 3.03Å; Y185-I188 PolarHBondContact O-N 3.02Å; I188-K192 CarbonylContact O-C 3.41Å; I188-K192 WeakPolarHBondContact O-CA 3.3Å; I188-K192 PolarHBondContact O-N 2.98Å; I188-P194 HydrophobicContact CG1-CG 4.4Å |
| 189 | I | 85.3 | Confident | 86.5 | Confident | 99 Ų | 99 | 58 Ų | 58 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.2 | -72 | 166.6 | 0 | 0 | 0 | 111.1 | Y185 T186 T187 | Y185-I189 HydrophobicContact CD1-CD1 3.71Å; Y185-I189 HydrophobicContact CE1-CD1 3.21Å; Y185-I189 HydrophobicContact CE1-CG1 4.25Å; Y185-I189 HydrophobicContact CE2-CD1 4.26Å; Y185-I189 HydrophobicContact CG-CD1 4.42Å; Y185-I189 WeakPolarHBondContact O-CG1 3.48Å; Y185-I189 PolarHBondContact O-N 2.81Å; T186-I189 PolarHBondContact O-N 2.86Å; T187-I189 VanDerWaalsContact C-N 3.35Å; T187-I189 PolarHBondContact O-N 2.77Å |
| 190 | Q | 87.8 | Confident | 86.5 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 68% | 0.682 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.2 | -47.7 | -176.5 | -71.6 | 174.3 | -15.7 | 0 | 0 | 112.6 | T186 T187 | T186-Q190 WeakPolarHBondContact O-CG 3.33Å; T186-Q190 PolarHBondContact O-N 3.12Å; T186-Q190 VanDerWaalsContact O-N 3.15Å; T187-Q190 PolarHBondContact O-N 2.98Å |
| 191 | H | 84.1 | Confident | 86.6 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -99.3 | -1.2 | -173.5 | -67.7 | -89.8 | 0 | 0 | 0 | 113.7 | T187 T193 R196 Y197 T200 | T187-H191 WeakPolarHBondContact O-CB 3.33Å; T187-H191 PolarHBondContact O-N 2.9Å; H191-T193 PolarHBondContact O-N 3.34Å; H191-R196 HydrophobicContact CB-CB 4.49Å; H191-R196 WeakPolarHBondContact O-CB 3.49Å; H191-R196 VanDerWaalsContact O-CD 3.26Å; H191-R196 WeakPolarHBondContact O-CD 3.27Å; H191-Y197 AromaticContact CD2-CD2 3.85Å; H191-Y197 AromaticContact NE2-CD2 3.77Å; H191-T200 PolarHBondContact CE1-OG1 3.08Å |
| 192 | K | 81.3 | Confident | 86.7 | Confident | 152 Ų | 152 | 57.6 Ų | 57.6 | 66% | 0.661 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 66.1 | -37.2 | -173 | -55.9 | -78.6 | -175.8 | 172.3 | 0 | 114.8 | I188 | I188-K192 CarbonylContact O-C 3.41Å; I188-K192 WeakPolarHBondContact O-CA 3.3Å; I188-K192 PolarHBondContact O-N 2.98Å |
| 193 | T | 81.4 | Confident | 86.9 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -143 | 150.9 | -177.3 | 71.1 | 0 | 0 | 0 | 0 | 112.1 | H191 S195 R196 Y197 Y262 | H191-T193 PolarHBondContact O-N 3.34Å; T193-S195 VanDerWaalsContact C-N 3.28Å; T193-S195 PolarHBondContact O-N 2.89Å; T193-R196 PolarHBondContact O-N 2.6Å; T193-R196 VanDerWaalsContact OG1-CB 3.27Å; T193-R196 WeakPolarHBondContact OG1-CB 3.16Å; T193-R196 PolarHBondContact OG1-N 2.86Å; T193-Y197 PolarHBondContact O-N 3.45Å; T193-Y262 HydrophobicContact CG2-CD1 3.54Å; T193-Y262 HydrophobicContact CG2-CE1 3.7Å |
| 194 | P | 84.5 | Confident | 87.1 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 171.1 | -25 | 34.6 | 0 | 0 | 0 | 112.3 | A182 Y183 I188 R196 Y197 L198 | A182-P194 HydrophobicContact CB-CB 4.15Å; Y183-P194 HydrophobicContact CD1-CG 4.04Å; Y183-P194 HydrophobicContact CE1-CB 4.49Å; Y183-P194 HydrophobicContact CE1-CG 3.98Å; I188-P194 HydrophobicContact CG1-CG 4.4Å; P194-R196 VanDerWaalsContact C-N 3.31Å; P194-R196 PolarHBondContact O-N 3.18Å; P194-Y197 WeakPolarHBondContact O-CB 3.06Å; P194-Y197 PolarHBondContact O-N 2.68Å; P194-L198 WeakPolarHBondContact O-CG 3.31Å; P194-L198 PolarHBondContact O-N 3.5Å |
| 195 | S | 85.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 178.8 | -54 | 0 | 0 | 0 | 0 | 112.7 | T193 L198 I199 P263 | T193-S195 VanDerWaalsContact C-N 3.28Å; T193-S195 PolarHBondContact O-N 2.89Å; S195-L198 WeakPolarHBondContact O-CB 3.37Å; S195-L198 PolarHBondContact O-N 2.84Å; S195-I199 WeakPolarHBondContact O-CD1 3.12Å; S195-I199 PolarHBondContact O-N 3.29Å; S195-P263 PolarHBondContact OG-O 3.44Å |
| 196 | R | 85 | Confident | 87.4 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71 | -37.3 | 178.5 | -173.7 | 163.5 | -178.7 | 178.5 | 5.5 | 112.3 | H191 T193 P194 L198 I199 T200 | H191-R196 HydrophobicContact CB-CB 4.49Å; H191-R196 WeakPolarHBondContact O-CB 3.49Å; H191-R196 VanDerWaalsContact O-CD 3.26Å; H191-R196 WeakPolarHBondContact O-CD 3.27Å; T193-R196 PolarHBondContact O-N 2.6Å; T193-R196 VanDerWaalsContact OG1-CB 3.27Å; T193-R196 WeakPolarHBondContact OG1-CB 3.16Å; T193-R196 PolarHBondContact OG1-N 2.86Å; P194-R196 VanDerWaalsContact C-N 3.31Å; P194-R196 PolarHBondContact O-N 3.18Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.05Å; R196-I199 PolarHBondContact O-N 3.46Å; R196-T200 PolarHBondContact O-N 3.44Å |
| 197 | Y | 88.7 | Confident | 87.2 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 171.9 | 167.2 | -99.4 | 0 | 0 | 0 | 112.2 | L178 T181 A182 T187 H191 T193 P194 I199 T200 T201 | L178-Y197 HydrophobicContact CD1-CE1 3.76Å; L178-Y197 HydrophobicContact CG-CE1 4.46Å; T181-Y197 HydrophobicContact CG2-CE1 4.19Å; T181-Y197 HydrophobicContact CG2-CE2 4.05Å; T181-Y197 VanDerWaalsContact CG2-OH 3.28Å; T181-Y197 WeakPolarHBondContact CG2-OH 2.86Å; A182-Y197 HydrophobicContact CB-CD1 3.53Å; A182-Y197 HydrophobicContact CB-CE1 3.92Å; T187-Y197 HydrophobicContact CG2-CD1 4.22Å; T187-Y197 HydrophobicContact CG2-CD2 3.41Å; T187-Y197 VanDerWaalsContact CG2-CD2 3.41Å; T187-Y197 HydrophobicContact CG2-CE2 3.98Å; T187-Y197 HydrophobicContact CG2-CG 3.53Å; H191-Y197 AromaticContact CD2-CD2 3.85Å; H191-Y197 AromaticContact NE2-CD2 3.77Å; T193-Y197 PolarHBondContact O-N 3.45Å; P194-Y197 WeakPolarHBondContact O-CB 3.06Å; P194-Y197 PolarHBondContact O-N 2.68Å; Y197-I199 VanDerWaalsContact C-N 3.27Å; Y197-I199 PolarHBondContact O-N 3.46Å; Y197-T200 PolarHBondContact O-N 3.19Å; Y197-T200 PolarHBondContact O-OG1 2.91Å; Y197-T201 WeakPolarHBondContact CE2-OG1 3.4Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 3.09Å; Y197-T201 PolarHBondContact O-OG1 3.34Å |
| 198 | L | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 178.9 | -68.8 | 174.4 | 0 | 0 | 0 | 112.3 | L166 L178 P194 S195 R196 T201 L202 I246 I248 W265 | L166-L198 HydrophobicContact CD1-CB 3.79Å; L178-L198 HydrophobicContact CD1-CD2 4.35Å; L178-L198 HydrophobicContact CD2-CD2 3.71Å; L178-L198 HydrophobicContact CG-CD2 3.95Å; P194-L198 WeakPolarHBondContact O-CG 3.31Å; P194-L198 PolarHBondContact O-N 3.5Å; S195-L198 WeakPolarHBondContact O-CB 3.37Å; S195-L198 PolarHBondContact O-N 2.84Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.05Å; L198-T201 PolarHBondContact O-N 3.26Å; L198-L202 HydrophobicContact CB-CD1 4.44Å; L198-L202 HydrophobicContact CD2-CD1 4.07Å; L198-L202 WeakPolarHBondContact O-CA 3.45Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 WeakPolarHBondContact O-CG 3.47Å; L198-L202 PolarHBondContact O-N 2.91Å; L198-I246 HydrophobicContact CD1-CG2 4.14Å; L198-I248 HydrophobicContact CB-CD1 4.49Å; L198-I248 HydrophobicContact CD1-CD1 4.16Å; L198-W265 HydrophobicContact CD1-CB 4.45Å; L198-W265 HydrophobicContact CD1-CD2 3.62Å; L198-W265 HydrophobicContact CD1-CE3 3.74Å; L198-W265 HydrophobicContact CD1-CG 3.96Å; L198-W265 HydrophobicContact CD1-CH2 4.21Å; L198-W265 HydrophobicContact CD1-CZ2 4.17Å; L198-W265 HydrophobicContact CD1-CZ3 4.04Å; L198-W265 HydrophobicContact CD2-CH2 4.09Å; L198-W265 HydrophobicContact CD2-CZ3 4.26Å |
| 199 | I | 89.2 | Confident | 87.4 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -78.1 | -30.6 | -178.2 | -73.2 | 148.7 | 0 | 0 | 0 | 113.3 | L166 S195 R196 Y197 T201 P252 Y253 | L166-I199 HydrophobicContact CD1-CG1 4.14Å; L166-I199 HydrophobicContact CD2-CG1 4.18Å; S195-I199 WeakPolarHBondContact O-CD1 3.12Å; S195-I199 PolarHBondContact O-N 3.29Å; R196-I199 PolarHBondContact O-N 3.46Å; Y197-I199 VanDerWaalsContact C-N 3.27Å; Y197-I199 PolarHBondContact O-N 3.46Å; I199-T201 PolarHBondContact O-N 2.89Å; I199-P252 HydrophobicContact CD1-CB 3.07Å; I199-P252 HydrophobicContact CD1-CG 3.02Å; I199-P252 HydrophobicContact CG1-CB 4.39Å; I199-P252 HydrophobicContact CG1-CG 4.11Å; I199-Y253 HydrophobicContact CG2-CD1 4.35Å; I199-Y253 HydrophobicContact CG2-CE1 3.51Å; I199-Y253 HydrophobicContact CG2-CE2 4.15Å; I199-Y253 VanDerWaalsContact CG2-OH 3.27Å; I199-Y253 WeakPolarHBondContact CG2-OH 3.42Å |
| 200 | T | 89 | Confident | 87.4 | Confident | 90 Ų | 90 | 57.6 Ų | 57.6 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.3 | -21.5 | 173 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | H191 R196 Y197 | H191-T200 PolarHBondContact CE1-OG1 3.08Å; R196-T200 PolarHBondContact O-N 3.44Å; Y197-T200 PolarHBondContact O-N 3.19Å; Y197-T200 PolarHBondContact O-OG1 2.91Å |
| 201 | T | 89.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 54 Ų | 54 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -105.3 | -35.7 | -173.1 | -47.6 | 0 | 0 | 0 | 0 | 112.9 | L178 Y197 L198 I199 | L178-T201 HydrophobicContact CD1-CG2 3.82Å; Y197-T201 WeakPolarHBondContact CE2-OG1 3.4Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 3.09Å; Y197-T201 PolarHBondContact O-OG1 3.34Å; L198-T201 PolarHBondContact O-N 3.26Å; I199-T201 PolarHBondContact O-N 2.89Å |
| 202 | L | 92.1 | Very high | 87.4 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -109.3 | 150.9 | -173.6 | -58.6 | 178.3 | 0 | 0 | 0 | 112.1 | L166 P169 L178 L198 I246 | L166-L202 HydrophobicContact CB-CB 4.31Å; L166-L202 HydrophobicContact CB-CD1 4.2Å; L166-L202 HydrophobicContact CD1-CB 4.42Å; L166-L202 HydrophobicContact CD1-CD1 4.2Å; P169-L202 HydrophobicContact CG-CD2 4.36Å; L178-L202 HydrophobicContact CD2-CD1 3.83Å; L178-L202 HydrophobicContact CD2-CD2 4Å; L178-L202 HydrophobicContact CD2-CG 4.18Å; L198-L202 HydrophobicContact CB-CD1 4.44Å; L198-L202 HydrophobicContact CD2-CD1 4.07Å; L198-L202 WeakPolarHBondContact O-CA 3.45Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 WeakPolarHBondContact O-CG 3.47Å; L198-L202 PolarHBondContact O-N 2.91Å; L202-I246 HydrophobicContact CD1-CD1 3.6Å |
| 203 | K | 91.2 | Very high | 87.6 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | trans | -78.4 | 129.5 | 173.3 | -172.2 | 176.3 | -179.9 | -179.5 | 0 | 110.3 | Y167 | Y167-K203 HydrophobicContact CD2-CB 4.24Å; Y167-K203 HydrophobicContact CD2-CG 4.39Å; Y167-K203 WeakPolarHBondContact CD2-O 3.26Å; Y167-K203 PolarHBondContact N-O 3.43Å | ||
| 204 | Q | 90.9 | Very high | 87.7 | Confident | 82 Ų | 82 | 60 Ų | 60 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 142.3 | 169.6 | -172.4 | 176.3 | -6.5 | 0 | 0 | 111.6 | T164 W165 L166 N206 | T164-Q204 HydrophobicContact CG2-CG 4.18Å; W165-Q204 WeakPolarHBondContact O-CG 3.25Å; L166-Q204 HydrophobicContact CD2-CB 3.8Å; L166-Q204 HydrophobicContact CD2-CG 4.12Å; Q204-N206 PolarHBondContact O-N 2.78Å |
| 205 | V | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | trans | -69.5 | 111.4 | 173 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | W165 Y167 F207 L210 L242 L245 | W165-V205 HydrophobicContact CB-CB 4.02Å; W165-V205 HydrophobicContact CB-CG2 3.97Å; W165-V205 PolarHBondContact O-N 2.76Å; Y167-V205 HydrophobicContact CD1-CG2 4.49Å; Y167-V205 HydrophobicContact CD2-CG2 4.02Å; Y167-V205 HydrophobicContact CE1-CG2 4.32Å; Y167-V205 HydrophobicContact CE2-CB 4.31Å; Y167-V205 HydrophobicContact CE2-CG2 3.81Å; Y167-V205 HydrophobicContact CG-CG2 4.35Å; V205-F207 HydrophobicContact CB-CE2 4.27Å; V205-F207 HydrophobicContact CB-CZ 4.38Å; V205-F207 HydrophobicContact CG1-CD1 4.25Å; V205-F207 HydrophobicContact CG1-CD2 4.3Å; V205-F207 HydrophobicContact CG1-CE1 3.98Å; V205-F207 HydrophobicContact CG1-CE2 4.05Å; V205-F207 HydrophobicContact CG1-CG 4.4Å; V205-F207 HydrophobicContact CG1-CZ 3.88Å; V205-F207 PolarHBondContact O-N 3.34Å; V205-L210 HydrophobicContact CG1-CD2 4.22Å; V205-L242 HydrophobicContact CG1-CD2 3.81Å; V205-L242 HydrophobicContact CG2-CD2 4.02Å; V205-L245 HydrophobicContact CG2-CD2 4.1Å | ||
| 206 | N | 88.9 | Confident | 87.5 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -89.8 | 101.5 | 173.5 | -179.2 | -24.7 | 0 | 0 | 0 | 109.2 | Q204 T208 T209 L210 | Q204-N206 PolarHBondContact O-N 2.78Å; N206-T208 VanDerWaalsContact C-N 3.32Å; N206-T208 PolarHBondContact O-N 3.16Å; N206-T208 WeakPolarHBondContact OD1-CB 3.35Å; N206-T208 PolarHBondContact OD1-N 3.04Å; N206-T209 VanDerWaalsContact CB-OG1 3.25Å; N206-T209 WeakPolarHBondContact CB-OG1 3.35Å; N206-T209 VanDerWaalsContact CG-OG1 3.26Å; N206-T209 PolarHBondContact O-N 2.72Å; N206-T209 PolarHBondContact O-OG1 2.92Å; N206-T209 PolarHBondContact OD1-N 2.93Å; N206-T209 VanDerWaalsContact OD1-N 3.08Å; N206-T209 PolarHBondContact OD1-OG1 2.86Å; N206-L210 WeakPolarHBondContact O-CB 3.48Å; N206-L210 PolarHBondContact O-N 3.09Å | ||
| 207 | F | 86.3 | Confident | 87.5 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -30.2 | -178.6 | -68.9 | -82.9 | 0 | 0 | 0 | 113.3 | W165 V205 T209 L210 I211 I220 I226 | W165-F207 HydrophobicContact CB-CE2 4.2Å; W165-F207 HydrophobicContact CB-CZ 4.13Å; W165-F207 AromaticContact CD1-CE2 3.79Å; W165-F207 AromaticContact CD1-CZ 3.63Å; W165-F207 HydrophobicContact CG-CE2 4.26Å; W165-F207 AromaticContact CG-CZ 3.97Å; W165-F207 HydrophobicContact CG-CZ 3.97Å; V205-F207 HydrophobicContact CB-CE2 4.27Å; V205-F207 HydrophobicContact CB-CZ 4.38Å; V205-F207 HydrophobicContact CG1-CD1 4.25Å; V205-F207 HydrophobicContact CG1-CD2 4.3Å; V205-F207 HydrophobicContact CG1-CE1 3.98Å; V205-F207 HydrophobicContact CG1-CE2 4.05Å; V205-F207 HydrophobicContact CG1-CG 4.4Å; V205-F207 HydrophobicContact CG1-CZ 3.88Å; V205-F207 PolarHBondContact O-N 3.34Å; F207-T209 PolarHBondContact O-N 2.84Å; F207-L210 HydrophobicContact CD1-CD2 4.24Å; F207-L210 PolarHBondContact O-N 3.34Å; F207-I211 HydrophobicContact CB-CD1 4.42Å; F207-I211 VanDerWaalsContact O-CB 3.27Å; F207-I211 WeakPolarHBondContact O-CB 3.28Å; F207-I211 VanDerWaalsContact O-CD1 3.31Å; F207-I211 WeakPolarHBondContact O-CD1 3.3Å; F207-I211 WeakPolarHBondContact O-CG1 3.39Å; F207-I211 PolarHBondContact O-N 3Å; F207-I220 HydrophobicContact CB-CD1 3.63Å; F207-I220 HydrophobicContact CB-CG1 4.12Å; F207-I220 HydrophobicContact CD1-CD1 3.7Å; F207-I220 HydrophobicContact CD1-CG1 3.45Å; F207-I220 VanDerWaalsContact CD1-CG1 3.45Å; F207-I220 HydrophobicContact CD2-CD1 3.2Å; F207-I220 HydrophobicContact CD2-CG1 3.93Å; F207-I220 HydrophobicContact CE1-CD1 4.1Å; F207-I220 HydrophobicContact CE1-CG1 3.7Å; F207-I220 HydrophobicContact CE2-CD1 3.65Å; F207-I220 HydrophobicContact CE2-CG1 4.14Å; F207-I220 HydrophobicContact CG-CD1 3.21Å; F207-I220 HydrophobicContact CG-CG1 3.56Å; F207-I220 HydrophobicContact CZ-CD1 4.07Å; F207-I220 HydrophobicContact CZ-CG1 4.03Å; F207-I226 HydrophobicContact CE1-CD1 3.82Å; F207-I226 HydrophobicContact CE1-CG1 3.77Å; F207-I226 HydrophobicContact CE1-CG2 4.14Å; F207-I226 HydrophobicContact CZ-CD1 3.65Å; F207-I226 HydrophobicContact CZ-CG1 3.7Å |
| 208 | T | 86.8 | Confident | 87.4 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 175.4 | -51.4 | 0 | 0 | 0 | 0 | 111 | N206 R212 | N206-T208 VanDerWaalsContact C-N 3.32Å; N206-T208 PolarHBondContact O-N 3.16Å; N206-T208 WeakPolarHBondContact OD1-CB 3.35Å; N206-T208 PolarHBondContact OD1-N 3.04Å; T208-R212 WeakPolarHBondContact O-CB 3.44Å; T208-R212 PolarHBondContact O-N 3.15Å |
| 209 | T | 86.1 | Confident | 87.2 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | N206 F207 R212 E213 | N206-T209 VanDerWaalsContact CB-OG1 3.25Å; N206-T209 WeakPolarHBondContact CB-OG1 3.35Å; N206-T209 VanDerWaalsContact CG-OG1 3.26Å; N206-T209 PolarHBondContact O-N 2.72Å; N206-T209 PolarHBondContact O-OG1 2.92Å; N206-T209 PolarHBondContact OD1-N 2.93Å; N206-T209 VanDerWaalsContact OD1-N 3.08Å; N206-T209 PolarHBondContact OD1-OG1 2.86Å; F207-T209 PolarHBondContact O-N 2.84Å; T209-R212 PolarHBondContact O-N 3.09Å; T209-E213 WeakPolarHBondContact O-CB 3.4Å; T209-E213 WeakPolarHBondContact O-CG 3.18Å; T209-E213 PolarHBondContact O-N 3.41Å |
| 210 | L | 84.9 | Confident | 87 | Confident | 7 Ų | 7 | 79.3 Ų | 79.3 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | -178.6 | -171.8 | 68.7 | 0 | 0 | 0 | 111.9 | V205 N206 F207 R212 E213 T214 Y218 L242 | V205-L210 HydrophobicContact CG1-CD2 4.22Å; N206-L210 WeakPolarHBondContact O-CB 3.48Å; N206-L210 PolarHBondContact O-N 3.09Å; F207-L210 HydrophobicContact CD1-CD2 4.24Å; F207-L210 PolarHBondContact O-N 3.34Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 2.93Å; L210-E213 PolarHBondContact O-N 2.64Å; L210-T214 HydrophobicContact CD1-CG2 4.01Å; L210-T214 HydrophobicContact CG-CG2 4.44Å; L210-T214 VanDerWaalsContact O-CB 3.28Å; L210-T214 WeakPolarHBondContact O-CB 3.48Å; L210-T214 VanDerWaalsContact O-CG2 3.26Å; L210-T214 WeakPolarHBondContact O-CG2 3.31Å; L210-T214 PolarHBondContact O-N 3.25Å; L210-T214 PolarHBondContact O-OG1 3.03Å; L210-Y218 HydrophobicContact CD1-CD2 3.98Å; L210-Y218 HydrophobicContact CD1-CE2 4.29Å; L210-Y218 HydrophobicContact CD2-CD1 4.21Å; L210-Y218 HydrophobicContact CD2-CD2 3.94Å; L210-Y218 HydrophobicContact CD2-CG 3.64Å; L210-Y218 HydrophobicContact CG-CD2 3.78Å; L210-Y218 HydrophobicContact CG-CG 3.98Å; L210-L242 HydrophobicContact CD2-CD1 3.7Å; L210-L242 HydrophobicContact CD2-CD2 4.15Å; L210-L242 HydrophobicContact CD2-CG 4.06Å |
| 211 | I | 86.8 | Confident | 86.6 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 175.6 | -71.4 | 161.2 | 0 | 0 | 0 | 110.2 | F207 R215 G216 Y218 | F207-I211 HydrophobicContact CB-CD1 4.42Å; F207-I211 VanDerWaalsContact O-CB 3.27Å; F207-I211 WeakPolarHBondContact O-CB 3.28Å; F207-I211 VanDerWaalsContact O-CD1 3.31Å; F207-I211 WeakPolarHBondContact O-CD1 3.3Å; F207-I211 WeakPolarHBondContact O-CG1 3.39Å; F207-I211 PolarHBondContact O-N 3Å; I211-R215 PolarHBondContact O-N 2.83Å; I211-R215 VanDerWaalsContact O-N 3.08Å; I211-G216 PolarHBondContact O-N 3.02Å; I211-Y218 VanDerWaalsContact CG1-O 3.23Å; I211-Y218 WeakPolarHBondContact CG1-O 3.38Å |
| 212 | R | 85.4 | Confident | 86.1 | Confident | 218 Ų | 218 | 79.8 Ų | 79.8 | 82% | 0.823 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.8 | -48.2 | -179.5 | -173.2 | 178.5 | -179.4 | 178.7 | 0.5 | 112.3 | T208 T209 L210 T214 | T208-R212 WeakPolarHBondContact O-CB 3.44Å; T208-R212 PolarHBondContact O-N 3.15Å; T209-R212 PolarHBondContact O-N 3.09Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 2.93Å; R212-T214 VanDerWaalsContact C-N 3.33Å; R212-T214 PolarHBondContact O-N 2.89Å |
| 213 | E | 85.4 | Confident | 85.4 | Confident | 110 Ų | 110 | 81.2 Ų | 81.2 | 51% | 0.514 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.4 | -34.5 | -178.2 | -72.9 | 178.1 | -166.7 | 0 | 0 | 112.2 | T209 L210 H239 | T209-E213 WeakPolarHBondContact O-CB 3.4Å; T209-E213 WeakPolarHBondContact O-CG 3.18Å; T209-E213 PolarHBondContact O-N 3.41Å; L210-E213 PolarHBondContact O-N 2.64Å; E213-H239 IonicContact OE2-ND1 3.99Å |
| 214 | T | 83.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -97.3 | 5.3 | -174.2 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | L210 R212 G216 R217 Y218 | L210-T214 HydrophobicContact CD1-CG2 4.01Å; L210-T214 HydrophobicContact CG-CG2 4.44Å; L210-T214 VanDerWaalsContact O-CB 3.28Å; L210-T214 WeakPolarHBondContact O-CB 3.48Å; L210-T214 VanDerWaalsContact O-CG2 3.26Å; L210-T214 WeakPolarHBondContact O-CG2 3.31Å; L210-T214 PolarHBondContact O-N 3.25Å; L210-T214 PolarHBondContact O-OG1 3.03Å; R212-T214 VanDerWaalsContact C-N 3.33Å; R212-T214 PolarHBondContact O-N 2.89Å; T214-G216 VanDerWaalsContact C-N 3.27Å; T214-G216 PolarHBondContact O-N 2.86Å; T214-R217 VanDerWaalsContact O-CG 3.32Å; T214-R217 WeakPolarHBondContact O-CG 3.29Å; T214-R217 PolarHBondContact O-N 3.49Å; T214-R217 PolarHBondContact O-NE 2.84Å; T214-Y218 HydrophobicContact CG2-CD2 3.64Å; T214-Y218 HydrophobicContact CG2-CE2 3.73Å; T214-Y218 WeakPolarHBondContact OG1-CD2 3.4Å |
| 215 | R | 83.6 | Confident | 84.6 | Confident | 235 Ų | 235 | 77.7 Ų | 77.7 | 89% | 0.887 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 38.9 | -176.9 | -57.1 | -179.1 | 178.3 | 178 | -1.9 | 112.9 | I211 | I211-R215 PolarHBondContact O-N 2.83Å; I211-R215 VanDerWaalsContact O-N 3.08Å |
| 216 | G | 82.8 | Confident | 84.3 | Confident | 14 Ų | 14 | 77.5 Ų | 77.5 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 18.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I211 T214 Y218 R219 | I211-G216 PolarHBondContact O-N 3.02Å; T214-G216 VanDerWaalsContact C-N 3.27Å; T214-G216 PolarHBondContact O-N 2.86Å; G216-Y218 VanDerWaalsContact C-N 3.29Å; G216-R219 PolarHBondContact O-NE 2.85Å |
| 217 | R | 84.8 | Confident | 84.2 | Confident | 75 Ų | 75 | 76.7 Ų | 76.7 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -65.5 | -31.7 | 171.3 | -78.5 | -178.4 | -77.7 | 173.9 | -1.1 | 112.8 | T214 A229 | T214-R217 VanDerWaalsContact O-CG 3.32Å; T214-R217 WeakPolarHBondContact O-CG 3.29Å; T214-R217 PolarHBondContact O-N 3.49Å; T214-R217 PolarHBondContact O-NE 2.84Å; R217-A229 WeakPolarHBondContact O-CB 3.11Å; R217-A229 PolarHBondContact O-N 3.01Å |
| 218 | Y | 87.6 | Confident | 84.2 | Confident | 21 Ų | 21 | 75.7 Ų | 75.7 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.6 | 171.2 | -62.3 | -83.9 | 0 | 0 | 0 | 109.6 | L210 I211 T214 G216 I226 I227 V228 L242 | L210-Y218 HydrophobicContact CD1-CD2 3.98Å; L210-Y218 HydrophobicContact CD1-CE2 4.29Å; L210-Y218 HydrophobicContact CD2-CD1 4.21Å; L210-Y218 HydrophobicContact CD2-CD2 3.94Å; L210-Y218 HydrophobicContact CD2-CG 3.64Å; L210-Y218 HydrophobicContact CG-CD2 3.78Å; L210-Y218 HydrophobicContact CG-CG 3.98Å; I211-Y218 VanDerWaalsContact CG1-O 3.23Å; I211-Y218 WeakPolarHBondContact CG1-O 3.38Å; T214-Y218 HydrophobicContact CG2-CD2 3.64Å; T214-Y218 HydrophobicContact CG2-CE2 3.73Å; T214-Y218 WeakPolarHBondContact OG1-CD2 3.4Å; G216-Y218 VanDerWaalsContact C-N 3.29Å; Y218-I226 HydrophobicContact CD1-CG2 4.38Å; Y218-I227 CarbonylContact C-O 3.59Å; Y218-I227 WeakPolarHBondContact CA-O 3.23Å; Y218-V228 HydrophobicContact CD1-CB 4.36Å; Y218-V228 HydrophobicContact CD1-CG1 4.16Å; Y218-V228 HydrophobicContact CD1-CG2 3.84Å; Y218-V228 HydrophobicContact CE1-CB 4.27Å; Y218-V228 HydrophobicContact CE1-CG1 3.7Å; Y218-V228 HydrophobicContact CE1-CG2 3.76Å; Y218-L242 HydrophobicContact CD1-CD1 3.58Å; Y218-L242 HydrophobicContact CD1-CG 4.26Å; Y218-L242 HydrophobicContact CE1-CB 4.21Å; Y218-L242 HydrophobicContact CE1-CD1 3.76Å; Y218-L242 HydrophobicContact CE1-CG 3.99Å; Y218-L242 HydrophobicContact CG-CD1 4.32Å |
| 219 | R | 86.2 | Confident | 84 | Confident | 156 Ų | 156 | 73 Ų | 73 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164 | 176.1 | -60.1 | -177.8 | -175.6 | -175.9 | -2.8 | 109.6 | G216 I227 | G216-R219 PolarHBondContact O-NE 2.85Å; R219-I227 HydrophobicContact CB-CB 4.36Å; R219-I227 PolarHBondContact N-O 2.91Å; R219-I227 PolarHBondContact O-N 3.21Å |
| 220 | I | 85.2 | Confident | 83.8 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 34% | 0.338 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.2 | 171.3 | -52.5 | 174.9 | 0 | 0 | 0 | 107.6 | F207 Y224 N225 | F207-I220 HydrophobicContact CB-CD1 3.63Å; F207-I220 HydrophobicContact CB-CG1 4.12Å; F207-I220 HydrophobicContact CD1-CD1 3.7Å; F207-I220 HydrophobicContact CD1-CG1 3.45Å; F207-I220 VanDerWaalsContact CD1-CG1 3.45Å; F207-I220 HydrophobicContact CD2-CD1 3.2Å; F207-I220 HydrophobicContact CD2-CG1 3.93Å; F207-I220 HydrophobicContact CE1-CD1 4.1Å; F207-I220 HydrophobicContact CE1-CG1 3.7Å; F207-I220 HydrophobicContact CE2-CD1 3.65Å; F207-I220 HydrophobicContact CE2-CG1 4.14Å; F207-I220 HydrophobicContact CG-CD1 3.21Å; F207-I220 HydrophobicContact CG-CG1 3.56Å; F207-I220 HydrophobicContact CZ-CD1 4.07Å; F207-I220 HydrophobicContact CZ-CG1 4.03Å; I220-Y224 HydrophobicContact CG2-CD1 4.42Å; I220-N225 WeakPolarHBondContact CA-O 3.27Å |
| 221 | D | 81.4 | Confident | 83.6 | Confident | 37 Ų | 37 | 74 Ų | 74 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | trans | -82.7 | 170.1 | 172.8 | 80.5 | -3.9 | 0 | 0 | 0 | 111.7 | A223 Y224 N225 I227 | D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.12Å; D221-A223 VanDerWaalsContact OD1-CA 3.28Å; D221-A223 WeakPolarHBondContact OD1-CA 3.36Å; D221-A223 PolarHBondContact OD1-N 3.35Å; D221-Y224 PolarHBondContact O-N 3.39Å; D221-Y224 PolarHBondContact OD1-N 3.33Å; D221-N225 PolarHBondContact N-O 3.01Å; D221-N225 WeakPolarHBondContact OD1-CB 3.37Å; D221-N225 PolarHBondContact OD1-N 3.32Å; D221-N225 WeakPolarHBondContact OD2-CB 3.37Å; D221-N225 PolarHBondContact OD2-ND2 2.75Å; D221-I227 HydrophobicContact CB-CD1 3.77Å; D221-I227 HydrophobicContact CB-CG1 4.25Å | ||
| 222 | P | 77.8 | Confident | 83.3 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 86% | 0.864 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.6 | 176.6 | -24.9 | 35.7 | 0 | 0 | 0 | 114.6 | Y224 | P222-Y224 VanDerWaalsContact C-N 3.33Š|
| 223 | A | 77.4 | Confident | 82.9 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D221 N225 | D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.12Å; D221-A223 VanDerWaalsContact OD1-CA 3.28Å; D221-A223 WeakPolarHBondContact OD1-CA 3.36Å; D221-A223 PolarHBondContact OD1-N 3.35Å; A223-N225 PolarHBondContact O-N 3.21Å |
| 224 | Y | 81 | Confident | 81.9 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 65.2 | 16.3 | -178.7 | -60.7 | -93.1 | 0 | 0 | 0 | 116 | P162 W165 I220 D221 P222 | P162-Y224 HydrophobicContact CB-CD1 3.9Å; P162-Y224 HydrophobicContact CB-CD2 3.99Å; P162-Y224 HydrophobicContact CB-CE1 3.72Å; P162-Y224 HydrophobicContact CB-CE2 3.83Å; P162-Y224 HydrophobicContact CB-CG 4.03Å; W165-Y224 PolarHBondContact NE1-O 3.34Å; I220-Y224 HydrophobicContact CG2-CD1 4.42Å; D221-Y224 PolarHBondContact O-N 3.39Å; D221-Y224 PolarHBondContact OD1-N 3.33Å; P222-Y224 VanDerWaalsContact C-N 3.33Å |
| 225 | N | 84.5 | Confident | 80.7 | Confident | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 153.5 | 167.8 | -52.3 | -59.1 | 0 | 0 | 0 | 110.6 | I150 I151 T152 I220 D221 A223 | I150-N225 HydrophobicContact CG2-CB 4.22Å; I151-N225 WeakPolarHBondContact O-CB 3.17Å; T152-N225 WeakPolarHBondContact CA-OD1 3.44Å; T152-N225 HydrophobicContact CG2-CB 4.3Å; I220-N225 WeakPolarHBondContact CA-O 3.27Å; D221-N225 PolarHBondContact N-O 3.01Å; D221-N225 WeakPolarHBondContact OD1-CB 3.37Å; D221-N225 PolarHBondContact OD1-N 3.32Å; D221-N225 WeakPolarHBondContact OD2-CB 3.37Å; D221-N225 PolarHBondContact OD2-ND2 2.75Å; A223-N225 PolarHBondContact O-N 3.21Å |
| 226 | I | 84.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.6 | 179.1 | -50.4 | 179.1 | 0 | 0 | 0 | 108.9 | I150 I151 W165 F207 Y218 V228 L242 L245 | I150-I226 CarbonylContact C-O 3.56Å; I150-I226 WeakPolarHBondContact CA-O 3.32Å; I151-I226 HydrophobicContact CB-CB 4.1Å; I151-I226 HydrophobicContact CD1-CB 4.09Å; I151-I226 HydrophobicContact CD1-CD1 4.49Å; I151-I226 HydrophobicContact CD1-CG2 4.15Å; I151-I226 HydrophobicContact CG1-CB 4.42Å; I151-I226 PolarHBondContact N-O 3.08Å; I151-I226 PolarHBondContact O-N 3.38Å; W165-I226 HydrophobicContact CB-CD1 4.5Å; W165-I226 HydrophobicContact CD2-CD1 3.59Å; W165-I226 HydrophobicContact CD2-CG1 4.04Å; W165-I226 HydrophobicContact CE3-CD1 3.87Å; W165-I226 HydrophobicContact CG-CD1 3.87Å; W165-I226 HydrophobicContact CG-CG1 4.35Å; W165-I226 HydrophobicContact CZ2-CD1 4.28Å; W165-I226 HydrophobicContact CZ2-CG1 4.02Å; W165-I226 HydrophobicContact CZ3-CD1 4.3Å; F207-I226 HydrophobicContact CE1-CD1 3.82Å; F207-I226 HydrophobicContact CE1-CG1 3.77Å; F207-I226 HydrophobicContact CE1-CG2 4.14Å; F207-I226 HydrophobicContact CZ-CD1 3.65Å; F207-I226 HydrophobicContact CZ-CG1 3.7Å; Y218-I226 HydrophobicContact CD1-CG2 4.38Å; I226-V228 HydrophobicContact CG2-CG2 4.31Å; I226-L242 HydrophobicContact CD1-CD1 3.93Å; I226-L242 HydrophobicContact CG2-CD1 3.84Å; I226-L245 HydrophobicContact CD1-CD1 3.87Å |
| 227 | I | 85.8 | Confident | 77.8 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122 | 170.9 | -58.3 | 171.7 | 0 | 0 | 0 | 108.3 | I150 Y218 R219 D221 | I150-I227 HydrophobicContact CG1-CG1 4.45Å; Y218-I227 CarbonylContact C-O 3.59Å; Y218-I227 WeakPolarHBondContact CA-O 3.23Å; R219-I227 HydrophobicContact CB-CB 4.36Å; R219-I227 PolarHBondContact N-O 2.91Å; R219-I227 PolarHBondContact O-N 3.21Å; D221-I227 HydrophobicContact CB-CD1 3.77Å; D221-I227 HydrophobicContact CB-CG1 4.25Å |
| 228 | V | 86.6 | Confident | 76.2 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.3 | 173.6 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | P148 L149 I151 Y218 I226 T231 | P148-V228 CarbonylContact C-O 3.45Å; P148-V228 VanDerWaalsContact CA-O 3.27Å; P148-V228 WeakPolarHBondContact CA-O 3.4Å; L149-V228 HydrophobicContact CB-CB 4.17Å; L149-V228 HydrophobicContact CB-CG2 4.46Å; L149-V228 PolarHBondContact N-O 3.38Å; L149-V228 WeakPolarHBondContact O-CB 3.17Å; L149-V228 PolarHBondContact O-N 2.72Å; I151-V228 HydrophobicContact CD1-CG2 3.73Å; I151-V228 HydrophobicContact CG1-CG2 4.22Å; Y218-V228 HydrophobicContact CD1-CB 4.36Å; Y218-V228 HydrophobicContact CD1-CG1 4.16Å; Y218-V228 HydrophobicContact CD1-CG2 3.84Å; Y218-V228 HydrophobicContact CE1-CB 4.27Å; Y218-V228 HydrophobicContact CE1-CG1 3.7Å; Y218-V228 HydrophobicContact CE1-CG2 3.76Å; I226-V228 HydrophobicContact CG2-CG2 4.31Å; V228-T231 HydrophobicContact CG1-CG2 4Å |
| 229 | A | 83.8 | Confident | 74.7 | Confident | 57 Ų | 57 | 78 Ų | 78 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -71.6 | -37.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R217 | R217-A229 WeakPolarHBondContact O-CB 3.11Å; R217-A229 PolarHBondContact O-N 3.01Å |
| 230 | E | 80.8 | Confident | 73.4 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -147.9 | 123.1 | 178.8 | -169.7 | -172.4 | -179 | 0 | 0 | 109 | ||
| 231 | T | 81.9 | Confident | 72.6 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | trans | -82.3 | 137.6 | 174.9 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | V143 N144 G146 E147 L149 V228 | V143-T231 HydrophobicContact CG1-CG2 3.77Å; V143-T231 HydrophobicContact CG2-CG2 4.02Å; N144-T231 PolarHBondContact O-OG1 2.75Å; G146-T231 PolarHBondContact N-O 3.4Å; E147-T231 WeakPolarHBondContact O-CG2 3.48Å; E147-T231 PolarHBondContact O-N 3.35Å; E147-T231 VanDerWaalsContact O-N 3.09Å; E147-T231 PolarHBondContact O-OG1 3.47Å; E147-T231 VanDerWaalsContact O-OG1 3.08Å; L149-T231 HydrophobicContact CB-CG2 3.87Å; L149-T231 HydrophobicContact CD2-CG2 4.37Å; V228-T231 HydrophobicContact CG1-CG2 4Å | ||
| 232 | I | 80.6 | Confident | 72.5 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | trans | -126.9 | 140.2 | -176.9 | -59.1 | 173.6 | 0 | 0 | 0 | 108.2 | T237 H243 | I232-T237 HydrophobicContact CG2-CG2 3.87Å; I232-H243 PolarHBondContact O-CE1 2.93Å | ||
| 233 | S | 75.1 | Confident | 72.8 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | trans | -76.3 | 136.1 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | K235 K236 | S233-K235 PolarHBondContact O-N 2.84Å; S233-K236 PolarHBondContact O-N 2.84Å | ||
| 234 | V | 65.9 | Low | 73.3 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -40.2 | -33.4 | -177.5 | -179.7 | 0 | 0 | 0 | 0 | 114.4 | K236 H243 | V234-K236 PolarHBondContact O-N 2.76Å; V234-H243 VanDerWaalsContact CG2-NE2 3.34Å; V234-H243 WeakPolarHBondContact CG2-NE2 3.34Å |
| 235 | K | 57.8 | Low | 73.9 | Confident | 198 Ų | 198 | 61.9 Ų | 61.9 | 86% | 0.861 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -66.4 | -5.3 | -171.3 | -69.9 | -173 | 178.9 | 179.5 | 0 | 115 | S233 | S233-K235 PolarHBondContact O-N 2.84Š|
| 236 | K | 51.9 | Low | 74.2 | Confident | 150 Ų | 150 | 60.7 Ų | 60.7 | 65% | 0.652 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -126.1 | -3.2 | -168.5 | -74.2 | -171.5 | 179.1 | 179.3 | 0 | 117.8 | S233 V234 | S233-K236 PolarHBondContact O-N 2.84Å; V234-K236 PolarHBondContact O-N 2.76Å |
| 237 | T | 53.1 | Low | 74.5 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | trans | -122.9 | 142.2 | -171.5 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | I232 H239 E241 | I232-T237 HydrophobicContact CG2-CG2 3.87Å; T237-H239 PolarHBondContact O-N 2.83Å; T237-E241 WeakPolarHBondContact CB-OE1 3.4Å; T237-E241 WeakPolarHBondContact CG2-OE1 3.43Å; T237-E241 PolarHBondContact OG1-OE1 2.84Å | ||
| 238 | K | 52 | Low | 74.5 | Confident | 218 Ų | 218 | 57.8 Ų | 57.8 | 95% | 0.948 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -76.3 | -2.2 | 169.1 | -69.1 | -176.2 | 177.1 | -178 | 0 | 112.4 | ||
| 239 | H | 54.8 | Low | 74.4 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -98.7 | 142.6 | -172.1 | -61.3 | -66.2 | 0 | 0 | 0 | 110 | E213 T237 E241 | E213-H239 IonicContact OE2-ND1 3.99Å; T237-H239 PolarHBondContact O-N 2.83Å; H239-E241 VanDerWaalsContact C-N 3.3Å; H239-E241 PolarHBondContact O-N 2.79Å |
| 240 | K | 59.3 | Low | 74.2 | Confident | 145 Ų | 145 | 55.9 Ų | 55.9 | 63% | 0.63 | 26% | 0.264 | S | S | * | . | trans | -69.2 | 90.6 | 172.1 | -75.9 | -169.4 | 175.2 | -164.4 | 0 | 108.9 | Y167 | Y167-K240 HydrophobicContact CE1-CB 4.35Š| ||
| 241 | E | 68.8 | Low | 73.9 | Confident | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | trans | -67.6 | 148.7 | 176.1 | -72.6 | 175.7 | 173.3 | 0 | 0 | 110.9 | T237 H239 H243 | T237-E241 WeakPolarHBondContact CB-OE1 3.4Å; T237-E241 WeakPolarHBondContact CG2-OE1 3.43Å; T237-E241 PolarHBondContact OG1-OE1 2.84Å; H239-E241 VanDerWaalsContact C-N 3.3Å; H239-E241 PolarHBondContact O-N 2.79Å; E241-H243 WeakPolarHBondContact CB-CD2 3.44Å; E241-H243 WeakPolarHBondContact CB-NE2 3.43Å; E241-H243 PolarHBondContact O-N 3.05Å; E241-H243 IonicContact OE2-CD2 3.77Å; E241-H243 IonicContact OE2-CE1 3.46Å; E241-H243 PolarHBondContact OE2-CE1 2.78Å; E241-H243 IonicContact OE2-NE2 2.68Å; E241-H243 PolarHBondContact OE2-NE2 3.28Å | ||
| 242 | L | 79.6 | Confident | 73.4 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -82.4 | 63.4 | -178.4 | -61.8 | -178 | 0 | 0 | 0 | 110.9 | Y167 V205 L210 Y218 I226 L245 I271 | Y167-L242 HydrophobicContact CE1-CD2 3.68Å; V205-L242 HydrophobicContact CG1-CD2 3.81Å; V205-L242 HydrophobicContact CG2-CD2 4.02Å; L210-L242 HydrophobicContact CD2-CD1 3.7Å; L210-L242 HydrophobicContact CD2-CD2 4.15Å; L210-L242 HydrophobicContact CD2-CG 4.06Å; Y218-L242 HydrophobicContact CD1-CD1 3.58Å; Y218-L242 HydrophobicContact CD1-CG 4.26Å; Y218-L242 HydrophobicContact CE1-CB 4.21Å; Y218-L242 HydrophobicContact CE1-CD1 3.76Å; Y218-L242 HydrophobicContact CE1-CG 3.99Å; Y218-L242 HydrophobicContact CG-CD1 4.32Å; I226-L242 HydrophobicContact CD1-CD1 3.93Å; I226-L242 HydrophobicContact CG2-CD1 3.84Å; L242-L245 HydrophobicContact CB-CD1 4.15Å; L242-L245 HydrophobicContact CB-CD2 4.09Å; L242-L245 HydrophobicContact CB-CG 4.4Å; L242-L245 HydrophobicContact CD2-CD2 3.77Å; L242-L245 HydrophobicContact CG-CD2 4.44Å; L242-I271 VanDerWaalsContact O-CD1 3.29Å; L242-I271 WeakPolarHBondContact O-CD1 3.2Å |
| 243 | H | 83.2 | Confident | 73.1 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -84.9 | -41.6 | 178.6 | -66.5 | -62.5 | 0 | 0 | 0 | 112.5 | I232 V234 E241 Y270 I271 | I232-H243 PolarHBondContact O-CE1 2.93Å; V234-H243 VanDerWaalsContact CG2-NE2 3.34Å; V234-H243 WeakPolarHBondContact CG2-NE2 3.34Å; E241-H243 WeakPolarHBondContact CB-CD2 3.44Å; E241-H243 WeakPolarHBondContact CB-NE2 3.43Å; E241-H243 PolarHBondContact O-N 3.05Å; E241-H243 IonicContact OE2-CD2 3.77Å; E241-H243 IonicContact OE2-CE1 3.46Å; E241-H243 PolarHBondContact OE2-CE1 2.78Å; E241-H243 IonicContact OE2-NE2 2.68Å; E241-H243 PolarHBondContact OE2-NE2 3.28Å; H243-Y270 CarbonylContact O-C 3.59Å; H243-Y270 WeakPolarHBondContact O-CA 3.37Å; H243-I271 PolarHBondContact O-N 2.85Å |
| 244 | N | 89.5 | Confident | 72.8 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113.5 | -174.7 | -60.8 | -34.8 | 0 | 0 | 0 | 109 | A168 D170 Y270 | A168-N244 HydrophobicContact CB-CB 3.98Å; A168-N244 PolarHBondContact N-O 2.98Å; D170-N244 WeakPolarHBondContact CA-ND2 3.38Å; D170-N244 PolarHBondContact OD1-ND2 2.76Å; N244-Y270 VanDerWaalsContact OD1-CD1 3.22Å; N244-Y270 WeakPolarHBondContact OD1-CD1 3.49Å |
| 245 | L | 91.9 | Very high | 72.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.1 | -172.5 | -60.3 | 175 | 0 | 0 | 0 | 111.3 | I151 W165 L166 V205 I226 L242 I268 I269 | I151-L245 HydrophobicContact CD1-CD1 4.03Å; I151-L245 HydrophobicContact CG2-CD1 4.27Å; W165-L245 HydrophobicContact CE3-CB 4.06Å; W165-L245 HydrophobicContact CE3-CD1 3.97Å; W165-L245 HydrophobicContact CZ3-CB 4.16Å; W165-L245 HydrophobicContact CZ3-CD1 3.96Å; L166-L245 WeakPolarHBondContact O-CA 3.45Å; V205-L245 HydrophobicContact CG2-CD2 4.1Å; I226-L245 HydrophobicContact CD1-CD1 3.87Å; L242-L245 HydrophobicContact CB-CD1 4.15Å; L242-L245 HydrophobicContact CB-CD2 4.09Å; L242-L245 HydrophobicContact CB-CG 4.4Å; L242-L245 HydrophobicContact CD2-CD2 3.77Å; L242-L245 HydrophobicContact CG-CD2 4.44Å; L245-I268 CarbonylContact O-C 3.57Å; L245-I268 WeakPolarHBondContact O-CA 3.28Å; L245-I269 HydrophobicContact CB-CB 4.44Å; L245-I269 PolarHBondContact N-O 3.43Å; L245-I269 PolarHBondContact O-N 2.96Å |
| 246 | I | 92.1 | Very high | 72.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.6 | 165.7 | -73.8 | 165.7 | 0 | 0 | 0 | 107.5 | W165 L166 A168 L175 L178 L198 L202 I248 W265 I268 | W165-I246 WeakPolarHBondContact CA-O 3.2Å; L166-I246 HydrophobicContact CB-CB 4.23Å; L166-I246 HydrophobicContact CD1-CG2 4.44Å; L166-I246 PolarHBondContact N-O 2.82Å; L166-I246 PolarHBondContact O-N 3.2Å; A168-I246 HydrophobicContact CB-CD1 3.86Å; A168-I246 HydrophobicContact CB-CG1 3.77Å; L175-I246 HydrophobicContact CD1-CD1 4.12Å; L178-I246 HydrophobicContact CD2-CD1 4.21Å; L198-I246 HydrophobicContact CD1-CG2 4.14Å; L202-I246 HydrophobicContact CD1-CD1 3.6Å; I246-I248 HydrophobicContact CG2-CG1 4.4Å; I246-W265 HydrophobicContact CD1-CZ2 3.97Å; I246-W265 HydrophobicContact CG1-CZ2 4.26Å; I246-W265 HydrophobicContact CG2-CZ2 4.39Å; I246-W265 VanDerWaalsContact CG2-NE1 3.35Å; I246-I268 HydrophobicContact CG1-CG1 4.21Å; I246-I268 HydrophobicContact CG1-CG2 4.43Å |
| 247 | C | 89.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.4 | 176.8 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | C153 I163 T164 W165 S266 G267 | C153-C247 VanDerWaalsContact CA-SG 3.57Å; C153-C247 HydrophobicContact CB-CB 3.67Å; C153-C247 WeakPolarHBondContact CB-SG 3.4Å; C153-C247 WeakPolarHBondContact SG-CB 3.34Å; C153-C247 CovalentContact SG-SG 2.04Å; C153-C247 PolarHBondContact SG-SG 3.02Å; I163-C247 HydrophobicContact CG2-CB 3.95Å; T164-C247 WeakPolarHBondContact O-CA 3.17Å; W165-C247 HydrophobicContact CD2-CB 4.19Å; W165-C247 HydrophobicContact CE3-CB 3.71Å; W165-C247 HydrophobicContact CH2-CB 3.93Å; W165-C247 HydrophobicContact CZ2-CB 4.38Å; W165-C247 HydrophobicContact CZ3-CB 3.6Å; C247-S266 PolarHBondContact O-N 3.09Å; C247-S266 VanDerWaalsContact O-N 3.09Å; C247-G267 PolarHBondContact N-O 3.31Å; C247-G267 PolarHBondContact O-N 2.04Å |
| 248 | I | 87.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.6 | 179.7 | -56.8 | 171.5 | 0 | 0 | 0 | 107.5 | I163 T164 L166 L198 I246 P252 P263 D264 | I163-I248 WeakPolarHBondContact CA-O 3.29Å; T164-I248 PolarHBondContact N-O 3.29Å; T164-I248 PolarHBondContact O-N 2.61Å; L166-I248 HydrophobicContact CD1-CD1 3.74Å; L198-I248 HydrophobicContact CB-CD1 4.49Å; L198-I248 HydrophobicContact CD1-CD1 4.16Å; I246-I248 HydrophobicContact CG2-CG1 4.4Å; I248-P252 HydrophobicContact CD1-CB 4.22Å; I248-P252 HydrophobicContact CG2-CB 4.08Å; I248-P263 HydrophobicContact CG2-CB 3.96Å; I248-D264 WeakPolarHBondContact CA-O 3.33Å |
| 249 | H | 83.6 | Confident | 72.7 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.7 | 170.3 | -75.1 | -56.5 | 0 | 0 | 0 | 108.3 | P154 P263 D264 S266 | P154-H249 PolarHBondContact O-NE2 2.93Å; H249-P263 CarbonylContact O-C 3.54Å; H249-P263 WeakPolarHBondContact O-CA 3.41Å; H249-D264 PolarHBondContact N-O 3.07Å; H249-D264 PolarHBondContact O-N 3.15Å; H249-S266 VanDerWaalsContact CD2-CB 3.45Å; H249-S266 WeakPolarHBondContact CD2-CB 3.16Å; H249-S266 PolarHBondContact CD2-OG 2.99Å |
| 250 | G | 78.6 | Confident | 72.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 123 | 163 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K161 P162 T164 P252 | K161-G250 VanDerWaalsContact CB-CA 3.48Å; P162-G250 CarbonylContact O-C 3.57Å; P162-G250 PolarHBondContact O-N 2.9Å; T164-G250 PolarHBondContact OG1-O 3.38Å; G250-P252 WeakPolarHBondContact O-CD 3.39Å |
| 251 | D | 75.9 | Confident | 72.6 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | trans | -77.5 | 114 | 153.9 | 175.7 | 12.5 | 0 | 0 | 0 | 107.9 | Y253 S254 | D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.46Å; D251-Y253 WeakPolarHBondContact OD1-CB 3.29Å; D251-Y253 WeakPolarHBondContact OD1-CD2 3.27Å; D251-Y253 PolarHBondContact OD1-N 2.96Å; D251-S254 VanDerWaalsContact O-CB 3.3Å; D251-S254 WeakPolarHBondContact O-CB 3.5Å; D251-S254 PolarHBondContact O-N 2.89Å; D251-S254 VanDerWaalsContact O-N 3.15Å; D251-S254 PolarHBondContact O-OG 3.43Å | ||
| 252 | P | 71.3 | Confident | 72.6 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4.7 | -177 | 39.1 | -42.9 | 0 | 0 | 0 | 114.1 | T164 I199 I248 G250 P263 | T164-P252 HydrophobicContact CG2-CG 3.81Å; T164-P252 WeakPolarHBondContact OG1-CD 3.4Å; I199-P252 HydrophobicContact CD1-CB 3.07Å; I199-P252 HydrophobicContact CD1-CG 3.02Å; I199-P252 HydrophobicContact CG1-CB 4.39Å; I199-P252 HydrophobicContact CG1-CG 4.11Å; I248-P252 HydrophobicContact CD1-CB 4.22Å; I248-P252 HydrophobicContact CG2-CB 4.08Å; G250-P252 WeakPolarHBondContact O-CD 3.39Å; P252-P263 HydrophobicContact CB-CB 4.13Å |
| 253 | Y | 74 | Confident | 72.2 | Confident | 138 Ų | 138 | 51 Ų | 51 | 54% | 0.541 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -18 | 163.5 | -64 | -83.6 | 0 | 0 | 0 | 112.4 | I199 D251 I255 | I199-Y253 HydrophobicContact CG2-CD1 4.35Å; I199-Y253 HydrophobicContact CG2-CE1 3.51Å; I199-Y253 HydrophobicContact CG2-CE2 4.15Å; I199-Y253 VanDerWaalsContact CG2-OH 3.27Å; I199-Y253 WeakPolarHBondContact CG2-OH 3.42Å; D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.46Å; D251-Y253 WeakPolarHBondContact OD1-CB 3.29Å; D251-Y253 WeakPolarHBondContact OD1-CD2 3.27Å; D251-Y253 PolarHBondContact OD1-N 2.96Å; Y253-I255 PolarHBondContact O-N 2.66Å |
| 254 | S | 68.4 | Low | 71.8 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | trans | -62.4 | 126.6 | -178.7 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | D251 | D251-S254 VanDerWaalsContact O-CB 3.3Å; D251-S254 WeakPolarHBondContact O-CB 3.5Å; D251-S254 PolarHBondContact O-N 2.89Å; D251-S254 VanDerWaalsContact O-N 3.15Å; D251-S254 PolarHBondContact O-OG 3.43Å | ||
| 255 | I | 62.6 | Low | 71.5 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | trans | -92.6 | 122.3 | 170.5 | -56.3 | 175.1 | 0 | 0 | 0 | 104.9 | Y253 N257 | Y253-I255 PolarHBondContact O-N 2.66Å; I255-N257 PolarHBondContact O-N 3.33Å | ||
| 256 | P | 57.8 | Low | 71 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | trans | -64.1 | 114.5 | -178.2 | 23.9 | -31.1 | 0 | 0 | 0 | 109.5 | D260 Y262 | P256-D260 HydrophobicContact CB-CB 3.99Å; P256-Y262 HydrophobicContact CB-CE2 4.47Å; P256-Y262 HydrophobicContact CG-CD1 4.07Å; P256-Y262 HydrophobicContact CG-CE1 3.56Å; P256-Y262 HydrophobicContact CG-CE2 4.18Å | ||
| 257 | N | 53.4 | Low | 70.7 | Confident | 134 Ų | 134 | 51.3 Ų | 51.3 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | trans | -95.6 | 107.1 | 164.6 | -82.5 | -10.1 | 0 | 0 | 0 | 107.4 | I255 S259 | I255-N257 PolarHBondContact O-N 3.33Å; N257-S259 PolarHBondContact O-N 3.44Å | ||
| 258 | G | 55.5 | Low | 70.6 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 89% | 0.887 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -108.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 259 | S | 50.5 | Low | 70.6 | Confident | 121 Ų | 121 | 51.3 Ų | 51.3 | 85% | 0.846 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.6 | -171.7 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | N257 I261 | N257-S259 PolarHBondContact O-N 3.44Å; S259-I261 PolarHBondContact O-N 2.85Å |
| 260 | D | 53.2 | Low | 70.8 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 122 | 178.5 | -100.5 | -47.8 | 0 | 0 | 0 | 111.3 | K161 P256 Y262 | K161-D260 IonicContact NZ-OD1 2.89Å; K161-D260 PolarHBondContact NZ-OD1 3.3Å; P256-D260 HydrophobicContact CB-CB 3.99Å; D260-Y262 PolarHBondContact O-N 3.39Å |
| 261 | I | 59 | Low | 71.1 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 36% | 0.359 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 121.8 | 173.1 | -56.9 | 179.7 | 0 | 0 | 0 | 107.6 | E160 K161 S259 | E160-I261 VanDerWaalsContact CD-CD1 3.47Å; E160-I261 HydrophobicContact CG-CD1 4.32Å; E160-I261 WeakPolarHBondContact OE2-CD1 3.43Å; K161-I261 PolarHBondContact NZ-O 3.42Å; S259-I261 PolarHBondContact O-N 2.85Å |
| 262 | Y | 67.1 | Low | 71.4 | Confident | 145 Ų | 145 | 53 Ų | 53 | 57% | 0.569 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 139.7 | 175.2 | -81.9 | -93.2 | 0 | 0 | 0 | 110.6 | T193 P256 D260 D264 | T193-Y262 HydrophobicContact CG2-CD1 3.54Å; T193-Y262 HydrophobicContact CG2-CE1 3.7Å; P256-Y262 HydrophobicContact CB-CE2 4.47Å; P256-Y262 HydrophobicContact CG-CD1 4.07Å; P256-Y262 HydrophobicContact CG-CE1 3.56Å; P256-Y262 HydrophobicContact CG-CE2 4.18Å; D260-Y262 PolarHBondContact O-N 3.39Å; Y262-D264 PolarHBondContact O-N 3.04Å |
| 263 | P | 71.6 | Confident | 72 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 121 | 171 | 26.4 | -33.5 | 0 | 0 | 0 | 109.5 | S195 I248 H249 P252 | S195-P263 PolarHBondContact OG-O 3.44Å; I248-P263 HydrophobicContact CG2-CB 3.96Å; H249-P263 CarbonylContact O-C 3.54Å; H249-P263 WeakPolarHBondContact O-CA 3.41Å; P252-P263 HydrophobicContact CB-CB 4.13Å |
| 264 | D | 76 | Confident | 72.4 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.9 | -173.7 | -169.8 | 15.6 | 0 | 0 | 0 | 111.4 | R156 I248 H249 Y262 S266 | R156-D264 WeakPolarHBondContact CB-OD2 3.45Å; I248-D264 WeakPolarHBondContact CA-O 3.33Å; H249-D264 PolarHBondContact N-O 3.07Å; H249-D264 PolarHBondContact O-N 3.15Å; Y262-D264 PolarHBondContact O-N 3.04Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 PolarHBondContact O-OG 3.27Å |
| 265 | W | 81.7 | Confident | 72.8 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 102.2 | 171.3 | 178.5 | 13.8 | 0 | 0 | 0 | 109.3 | P136 I179 A182 Y183 L198 I246 G267 I268 | P136-W265 HydrophobicContact CB-CD2 3.76Å; P136-W265 HydrophobicContact CB-CE3 4.45Å; P136-W265 HydrophobicContact CB-CG 3.93Å; P136-W265 HydrophobicContact CB-CZ2 4.27Å; P136-W265 HydrophobicContact CG-CD2 3.71Å; P136-W265 VanDerWaalsContact CG-CE2 3.49Å; P136-W265 HydrophobicContact CG-CE3 3.98Å; P136-W265 HydrophobicContact CG-CG 4.4Å; P136-W265 HydrophobicContact CG-CH2 4.03Å; P136-W265 HydrophobicContact CG-CZ2 3.69Å; P136-W265 HydrophobicContact CG-CZ3 4.14Å; I179-W265 HydrophobicContact CB-CH2 4.18Å; I179-W265 HydrophobicContact CG1-CH2 3.48Å; I179-W265 VanDerWaalsContact CG1-CH2 3.48Å; I179-W265 HydrophobicContact CG1-CZ2 4.17Å; I179-W265 HydrophobicContact CG1-CZ3 4.26Å; I179-W265 HydrophobicContact CG2-CH2 4.48Å; I179-W265 HydrophobicContact CG2-CZ3 4.48Å; A182-W265 HydrophobicContact CB-CZ3 4.05Å; Y183-W265 HydrophobicContact CD2-CE3 4.47Å; Y183-W265 HydrophobicContact CD2-CZ3 4.22Å; Y183-W265 AromaticContact CE2-CE3 3.53Å; Y183-W265 HydrophobicContact CE2-CE3 3.53Å; Y183-W265 AromaticContact CE2-CZ3 3.64Å; Y183-W265 HydrophobicContact CE2-CZ3 3.64Å; L198-W265 HydrophobicContact CD1-CB 4.45Å; L198-W265 HydrophobicContact CD1-CD2 3.62Å; L198-W265 HydrophobicContact CD1-CE3 3.74Å; L198-W265 HydrophobicContact CD1-CG 3.96Å; L198-W265 HydrophobicContact CD1-CH2 4.21Å; L198-W265 HydrophobicContact CD1-CZ2 4.17Å; L198-W265 HydrophobicContact CD1-CZ3 4.04Å; L198-W265 HydrophobicContact CD2-CH2 4.09Å; L198-W265 HydrophobicContact CD2-CZ3 4.26Å; I246-W265 HydrophobicContact CD1-CZ2 3.97Å; I246-W265 HydrophobicContact CG1-CZ2 4.26Å; I246-W265 HydrophobicContact CG2-CZ2 4.39Å; I246-W265 VanDerWaalsContact CG2-NE1 3.35Å; W265-G267 PolarHBondContact NE1-O 3.3Å; W265-I268 HydrophobicContact CH2-CD1 4.44Å; W265-I268 HydrophobicContact CZ2-CD1 3.69Å; W265-I268 HydrophobicContact CZ2-CG1 3.69Å |
| 266 | S | 81.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -42.2 | -162.9 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | K137 P154 R156 C247 H249 D264 | K137-S266 PolarHBondContact N-O 2.98Å; K137-S266 VanDerWaalsContact N-O 3.15Å; P154-S266 VanDerWaalsContact O-CB 3.31Å; P154-S266 WeakPolarHBondContact O-CB 3.42Å; R156-S266 PolarHBondContact NE-O 3.23Å; C247-S266 PolarHBondContact O-N 3.09Å; C247-S266 VanDerWaalsContact O-N 3.09Å; H249-S266 VanDerWaalsContact CD2-CB 3.45Å; H249-S266 WeakPolarHBondContact CD2-CB 3.16Å; H249-S266 PolarHBondContact CD2-OG 2.99Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 PolarHBondContact O-OG 3.27Å |
| 267 | G | 85.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K137 C247 W265 | K137-G267 CarbonylContact O-C 3.57Å; K137-G267 VanDerWaalsContact O-CA 3.25Å; K137-G267 WeakPolarHBondContact O-CA 3.08Å; C247-G267 PolarHBondContact N-O 3.31Å; C247-G267 PolarHBondContact O-N 2.04Å; W265-G267 PolarHBondContact NE1-O 3.3Å |
| 268 | I | 87.5 | Confident | 75 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.9 | 160.8 | -54.3 | 168.2 | 0 | 0 | 0 | 105.4 | P136 K137 R138 I139 L175 I179 L245 I246 W265 Y270 | P136-I268 HydrophobicContact CB-CD1 4.28Å; P136-I268 HydrophobicContact CB-CG1 4.12Å; P136-I268 HydrophobicContact CG-CD1 3.65Å; P136-I268 HydrophobicContact CG-CG1 4.02Å; K137-I268 PolarHBondContact O-N 3.31Å; R138-I268 CarbonylContact C-O 3.5Å; R138-I268 WeakPolarHBondContact CA-O 3.49Å; R138-I268 HydrophobicContact CG-CB 4.23Å; R138-I268 HydrophobicContact CG-CD1 4.13Å; I139-I268 PolarHBondContact N-O 2.8Å; L175-I268 HydrophobicContact CD1-CD1 4.41Å; L175-I268 HydrophobicContact CD2-CD1 4.35Å; L175-I268 HydrophobicContact CD2-CG2 4.07Å; I179-I268 HydrophobicContact CD1-CD1 3.56Å; I179-I268 HydrophobicContact CG1-CD1 4.08Å; L245-I268 CarbonylContact O-C 3.57Å; L245-I268 WeakPolarHBondContact O-CA 3.28Å; I246-I268 HydrophobicContact CG1-CG1 4.21Å; I246-I268 HydrophobicContact CG1-CG2 4.43Å; W265-I268 HydrophobicContact CH2-CD1 4.44Å; W265-I268 HydrophobicContact CZ2-CD1 3.69Å; W265-I268 HydrophobicContact CZ2-CG1 3.69Å; I268-Y270 HydrophobicContact CB-CE2 4.44Å; I268-Y270 HydrophobicContact CG2-CD2 4.25Å; I268-Y270 HydrophobicContact CG2-CE1 4.48Å; I268-Y270 HydrophobicContact CG2-CE2 3.56Å |
| 269 | I | 88.5 | Confident | 75.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.5 | -174.6 | -64.4 | 156.7 | 0 | 0 | 0 | 108.5 | I139 I141 I151 T152 W165 L245 I271 | I139-I269 HydrophobicContact CB-CG1 4.37Å; I139-I269 CarbonylContact O-C 3.58Å; I139-I269 WeakPolarHBondContact O-CA 3.41Å; I141-I269 HydrophobicContact CD1-CG2 3.94Å; I141-I269 HydrophobicContact CG1-CG2 4.44Å; I151-I269 HydrophobicContact CG2-CD1 4.08Å; I151-I269 HydrophobicContact CG2-CG2 3.93Å; T152-I269 WeakPolarHBondContact O-CD1 3.5Å; W165-I269 HydrophobicContact CH2-CD1 3.71Å; W165-I269 HydrophobicContact CZ3-CD1 3.58Å; L245-I269 HydrophobicContact CB-CB 4.44Å; L245-I269 PolarHBondContact N-O 3.43Å; L245-I269 PolarHBondContact O-N 2.96Å; I269-I271 HydrophobicContact CG2-CD1 4.41Å; I269-I271 HydrophobicContact CG2-CG1 4.16Å |
| 270 | Y | 87.6 | Confident | 76.5 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.8 | 173.4 | -58.6 | -89.4 | 0 | 0 | 0 | 108.6 | I139 T140 I141 L175 H243 N244 I268 | I139-Y270 PolarHBondContact O-N 3.24Å; T140-Y270 CarbonylContact C-O 3.56Å; T140-Y270 WeakPolarHBondContact CA-O 3.22Å; I141-Y270 PolarHBondContact N-O 3.31Å; L175-Y270 HydrophobicContact CD2-CE1 4.26Å; L175-Y270 WeakPolarHBondContact CD2-OH 3.28Å; H243-Y270 CarbonylContact O-C 3.59Å; H243-Y270 WeakPolarHBondContact O-CA 3.37Å; N244-Y270 VanDerWaalsContact OD1-CD1 3.22Å; N244-Y270 WeakPolarHBondContact OD1-CD1 3.49Å; I268-Y270 HydrophobicContact CB-CE2 4.44Å; I268-Y270 HydrophobicContact CG2-CD2 4.25Å; I268-Y270 HydrophobicContact CG2-CE1 4.48Å; I268-Y270 HydrophobicContact CG2-CE2 3.56Å |
| 271 | I | 85 | Confident | 77.2 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.3 | 178.4 | -63.8 | 160.2 | 0 | 0 | 0 | 106.8 | I141 V143 L149 I151 L242 H243 I269 V273 | I141-I271 HydrophobicContact CB-CG1 4.3Å; I141-I271 HydrophobicContact CD1-CG1 4.47Å; I141-I271 CarbonylContact O-C 3.55Å; I141-I271 WeakPolarHBondContact O-CA 3.48Å; V143-I271 HydrophobicContact CG1-CG2 3.94Å; L149-I271 HydrophobicContact CD2-CD1 3.96Å; L149-I271 HydrophobicContact CD2-CG1 4.12Å; L149-I271 HydrophobicContact CD2-CG2 3.82Å; I151-I271 HydrophobicContact CD1-CD1 3.28Å; I151-I271 HydrophobicContact CG1-CD1 3.7Å; I151-I271 HydrophobicContact CG2-CD1 4.31Å; L242-I271 VanDerWaalsContact O-CD1 3.29Å; L242-I271 WeakPolarHBondContact O-CD1 3.2Å; H243-I271 PolarHBondContact O-N 2.85Å; I269-I271 HydrophobicContact CG2-CD1 4.41Å; I269-I271 HydrophobicContact CG2-CG1 4.16Å; I271-V273 HydrophobicContact CG2-CG2 4.09Å |
| 272 | D | 82.2 | Confident | 78 | Confident | 76 Ų | 76 | 51.2 Ų | 51.2 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.4 | 176.4 | -173.9 | 20.5 | 0 | 0 | 0 | 108.5 | I141 Q142 V143 | I141-D272 PolarHBondContact O-N 3.34Å; Q142-D272 WeakPolarHBondContact CA-O 3.46Å; Q142-D272 HydrophobicContact CG-CB 4.15Å; V143-D272 PolarHBondContact N-O 3.33Å |
| 273 | V | 83.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 108.2 | -179.4 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | V143 E145 I271 P275 | V143-V273 HydrophobicContact CG1-CB 4.49Å; V143-V273 HydrophobicContact CG1-CG2 3.94Å; V143-V273 CarbonylContact O-C 3.53Å; V143-V273 WeakPolarHBondContact O-CA 3.42Å; E145-V273 HydrophobicContact CB-CG1 3.98Å; I271-V273 HydrophobicContact CG2-CG2 4.09Å; V273-P275 WeakPolarHBondContact O-CD 3.45Å |
| 274 | L | 80.8 | Confident | 78.4 | Confident | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 117.1 | 175.4 | -62.1 | 175.7 | 0 | 0 | 0 | 109 | V143 E145 Q276 | V143-L274 PolarHBondContact O-N 3.27Å; E145-L274 WeakPolarHBondContact CB-O 3.16Å; E145-L274 PolarHBondContact N-O 3.26Å; L274-Q276 PolarHBondContact O-N 3.34Å |
| 275 | P | 78.6 | Confident | 78.5 | Confident | 91 Ų | 91 | 54.2 Ų | 54.2 | 59% | 0.591 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 137.6 | -178.7 | 27.3 | -33.9 | 0 | 0 | 0 | 110.3 | V273 S277 | V273-P275 WeakPolarHBondContact O-CD 3.45Å; P275-S277 PolarHBondContact O-N 3.46Å |
| 276 | Q | 72.3 | Confident | 78.4 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 133.7 | 175.1 | -170.2 | 176.7 | 46.7 | 0 | 0 | 109.4 | E145 L274 A280 | E145-Q276 HydrophobicContact CB-CB 4.37Å; E145-Q276 PolarHBondContact OE2-N 3.2Å; L274-Q276 PolarHBondContact O-N 3.34Å; Q276-A280 HydrophobicContact CG-CB 3.72Å |
| 277 | S | 74.7 | Confident | 78.3 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 49% | 0.49 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.9 | 173.9 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | P275 L279 A280 R281 | P275-S277 PolarHBondContact O-N 3.46Å; S277-L279 PolarHBondContact O-N 3.05Å; S277-A280 PolarHBondContact O-N 3.34Å; S277-A280 VanDerWaalsContact O-N 3.07Å; S277-A280 WeakPolarHBondContact OG-CB 3.39Å; S277-A280 PolarHBondContact OG-N 3.19Å; S277-R281 PolarHBondContact O-N 3.44Å; S277-R281 VanDerWaalsContact O-N 3.08Å |
| 278 | S | 72.3 | Confident | 78.1 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.4 | -36.4 | 178.6 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | R281 I282 | S278-R281 PolarHBondContact O-N 3.47Å; S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.34Å; S278-I282 PolarHBondContact O-N 3.32Å |
| 279 | L | 69.6 | Low | 77.9 | Confident | 116 Ų | 116 | 65.8 Ų | 65.8 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 176.4 | -168 | 153.7 | 0 | 0 | 0 | 111.6 | S277 R281 I282 L283 | S277-L279 PolarHBondContact O-N 3.05Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 3.05Å; L279-I282 PolarHBondContact O-N 3.06Å; L279-L283 HydrophobicContact CD2-CD1 4.31Å; L279-L283 WeakPolarHBondContact O-CB 3.48Å; L279-L283 PolarHBondContact O-N 2.98Å |
| 280 | A | 68.3 | Low | 77.6 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 24% | 0.24 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q276 S277 L283 S284 | Q276-A280 HydrophobicContact CG-CB 3.72Å; S277-A280 PolarHBondContact O-N 3.34Å; S277-A280 VanDerWaalsContact O-N 3.07Å; S277-A280 WeakPolarHBondContact OG-CB 3.39Å; S277-A280 PolarHBondContact OG-N 3.19Å; A280-L283 PolarHBondContact O-N 2.92Å; A280-S284 WeakPolarHBondContact O-CB 3.44Å; A280-S284 PolarHBondContact O-N 2.86Å; A280-S284 PolarHBondContact O-OG 2.86Å |
| 281 | R | 67.4 | Low | 77.3 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 174.8 | -176.4 | 177.7 | -102.1 | 146.2 | -4.7 | 112.9 | E145 S277 S278 L279 S284 K285 | E145-R281 IonicContact OE1-CZ 3.67Å; E145-R281 IonicContact OE1-NH1 3.73Å; E145-R281 IonicContact OE1-NH2 2.76Å; E145-R281 PolarHBondContact OE1-NH2 3.41Å; S277-R281 PolarHBondContact O-N 3.44Å; S277-R281 VanDerWaalsContact O-N 3.08Å; S278-R281 PolarHBondContact O-N 3.47Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 3.05Å; R281-S284 PolarHBondContact O-OG 3.29Å; R281-K285 WeakPolarHBondContact O-CG 3.19Å; R281-K285 PolarHBondContact O-N 2.76Å |
| 282 | I | 75.5 | Confident | 77.3 | Confident | 111 Ų | 111 | 77.4 Ų | 77.4 | 57% | 0.569 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.8 | -46 | 174.2 | -68.7 | 164.4 | 0 | 0 | 0 | 109.4 | S278 L279 S284 K285 L286 | S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.34Å; S278-I282 PolarHBondContact O-N 3.32Å; L279-I282 PolarHBondContact O-N 3.06Å; I282-S284 PolarHBondContact O-N 2.77Å; I282-K285 PolarHBondContact O-N 3.15Å; I282-L286 WeakPolarHBondContact O-CB 3.42Å; I282-L286 PolarHBondContact O-N 2.79Å |
| 283 | L | 74.3 | Confident | 77.5 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 41% | 0.414 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | -178.8 | -145.4 | 95.9 | 0 | 0 | 0 | 111.1 | L279 A280 K285 L286 T287 | L279-L283 HydrophobicContact CD2-CD1 4.31Å; L279-L283 WeakPolarHBondContact O-CB 3.48Å; L279-L283 PolarHBondContact O-N 2.98Å; A280-L283 PolarHBondContact O-N 2.92Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.21Å; L283-L286 PolarHBondContact O-N 3.26Å; L283-T287 PolarHBondContact O-N 3.17Å; L283-T287 PolarHBondContact O-OG1 3.2Å |
| 284 | S | 73.6 | Confident | 77.7 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.6 | -33.6 | -179.9 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | A280 R281 I282 P288 | A280-S284 WeakPolarHBondContact O-CB 3.44Å; A280-S284 PolarHBondContact O-N 2.86Å; A280-S284 PolarHBondContact O-OG 2.86Å; R281-S284 PolarHBondContact O-OG 3.29Å; I282-S284 PolarHBondContact O-N 2.77Å; S284-P288 WeakPolarHBondContact O-CD 2.99Å |
| 285 | K | 76.8 | Confident | 78 | Confident | 146 Ų | 146 | 80.6 Ų | 80.6 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -77.8 | -31.3 | 173.9 | -69.9 | -175.7 | 177.7 | -171.1 | 0 | 113 | R281 I282 L283 P288 | R281-K285 WeakPolarHBondContact O-CG 3.19Å; R281-K285 PolarHBondContact O-N 2.76Å; I282-K285 PolarHBondContact O-N 3.15Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.21Å; K285-P288 WeakPolarHBondContact O-CD 3.37Å; K285-P288 WeakPolarHBondContact O-CG 3.42Å |
| 286 | L | 79.4 | Confident | 78.5 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 45% | 0.445 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.7 | -34.2 | -178.8 | -159.5 | 83.7 | 0 | 0 | 0 | 111.9 | I282 L283 V289 I290 | I282-L286 WeakPolarHBondContact O-CB 3.42Å; I282-L286 PolarHBondContact O-N 2.79Å; L283-L286 PolarHBondContact O-N 3.26Å; L286-V289 WeakPolarHBondContact O-CB 3.3Å; L286-V289 PolarHBondContact O-N 3.47Å; L286-V289 VanDerWaalsContact O-N 3.12Å; L286-I290 HydrophobicContact CB-CD1 4.43Å; L286-I290 HydrophobicContact CD2-CD1 3.47Å; L286-I290 VanDerWaalsContact CD2-CD1 3.47Å; L286-I290 HydrophobicContact CD2-CG1 4.32Å; L286-I290 HydrophobicContact CG-CD1 3.68Å; L286-I290 HydrophobicContact CG-CG1 4.09Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 2.73Å |
| 287 | T | 80.9 | Confident | 79.2 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 18% | 0.184 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -51 | -52.8 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | L283 V289 I290 Q291 | L283-T287 PolarHBondContact O-N 3.17Å; L283-T287 PolarHBondContact O-OG1 3.2Å; T287-V289 VanDerWaalsContact C-N 3.32Å; T287-V289 PolarHBondContact O-N 2.93Å; T287-I290 PolarHBondContact O-N 3.11Å; T287-Q291 WeakPolarHBondContact O-CG 3.07Å; T287-Q291 PolarHBondContact O-N 2.99Å |
| 288 | P | 80.1 | Confident | 79.8 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 38% | 0.383 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 178.7 | 24.1 | -33.7 | 0 | 0 | 0 | 112.3 | S284 K285 Q291 I292 | S284-P288 WeakPolarHBondContact O-CD 2.99Å; K285-P288 WeakPolarHBondContact O-CD 3.37Å; K285-P288 WeakPolarHBondContact O-CG 3.42Å; P288-Q291 PolarHBondContact O-N 3.2Å; P288-I292 VanDerWaalsContact O-CG1 3.32Å; P288-I292 WeakPolarHBondContact O-CG1 3.43Å; P288-I292 PolarHBondContact O-N 3.22Å |
| 289 | V | 83.3 | Confident | 80.6 | Confident | 71 Ų | 71 | 83.7 Ų | 83.7 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | L286 T287 I292 I293 | L286-V289 WeakPolarHBondContact O-CB 3.3Å; L286-V289 PolarHBondContact O-N 3.47Å; L286-V289 VanDerWaalsContact O-N 3.12Å; T287-V289 VanDerWaalsContact C-N 3.32Å; T287-V289 PolarHBondContact O-N 2.93Å; V289-I292 PolarHBondContact O-N 2.73Å; V289-I293 HydrophobicContact CG1-CD1 3.65Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 VanDerWaalsContact O-CG1 3.31Å; V289-I293 WeakPolarHBondContact O-CG1 3.46Å; V289-I293 PolarHBondContact O-N 3.39Å |
| 290 | I | 82.6 | Confident | 81.6 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 40% | 0.395 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.7 | -68.9 | 167.1 | 0 | 0 | 0 | 110.6 | L286 T287 I292 I293 M294 | L286-I290 HydrophobicContact CB-CD1 4.43Å; L286-I290 HydrophobicContact CD2-CD1 3.47Å; L286-I290 VanDerWaalsContact CD2-CD1 3.47Å; L286-I290 HydrophobicContact CD2-CG1 4.32Å; L286-I290 HydrophobicContact CG-CD1 3.68Å; L286-I290 HydrophobicContact CG-CG1 4.09Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 2.73Å; T287-I290 PolarHBondContact O-N 3.11Å; I290-I292 VanDerWaalsContact C-N 3.26Å; I290-I292 PolarHBondContact O-N 3.36Å; I290-I293 PolarHBondContact O-N 2.87Å; I290-M294 HydrophobicContact CG2-CE 4.05Å; I290-M294 WeakPolarHBondContact O-CB 3.32Å; I290-M294 PolarHBondContact O-N 2.94Å |
| 291 | Q | 81.9 | Confident | 82.6 | Confident | 89 Ų | 89 | 83 Ų | 83 | 42% | 0.416 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -33.7 | 178.2 | -77.8 | 176.3 | -25.2 | 0 | 0 | 112.7 | T287 P288 P295 | T287-Q291 WeakPolarHBondContact O-CG 3.07Å; T287-Q291 PolarHBondContact O-N 2.99Å; P288-Q291 PolarHBondContact O-N 3.2Å; Q291-P295 WeakPolarHBondContact O-CD 2.89Å |
| 292 | I | 85.9 | Confident | 83.6 | Confident | 129 Ų | 129 | 84.1 Ų | 84.1 | 66% | 0.662 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -75.4 | -40.1 | 175.9 | -66.6 | 165.5 | 0 | 0 | 0 | 111.4 | P288 V289 I290 P295 | P288-I292 VanDerWaalsContact O-CG1 3.32Å; P288-I292 WeakPolarHBondContact O-CG1 3.43Å; P288-I292 PolarHBondContact O-N 3.22Å; V289-I292 PolarHBondContact O-N 2.73Å; I290-I292 VanDerWaalsContact C-N 3.26Å; I290-I292 PolarHBondContact O-N 3.36Å; I292-P295 WeakPolarHBondContact O-CD 3.09Å; I292-P295 WeakPolarHBondContact O-CG 3.15Å |
| 293 | I | 85.9 | Confident | 84.3 | Confident | 80 Ų | 80 | 85.1 Ų | 85.1 | 41% | 0.41 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -80.3 | -33.2 | -175.3 | -66.2 | 173.1 | 0 | 0 | 0 | 112.2 | V289 I290 F296 I297 | V289-I293 HydrophobicContact CG1-CD1 3.65Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 VanDerWaalsContact O-CG1 3.31Å; V289-I293 WeakPolarHBondContact O-CG1 3.46Å; V289-I293 PolarHBondContact O-N 3.39Å; I290-I293 PolarHBondContact O-N 2.87Å; I293-F296 WeakPolarHBondContact O-CA 2.69Å; I293-F296 WeakPolarHBondContact O-CB 3.42Å; I293-F296 PolarHBondContact O-N 3.43Å; I293-I297 HydrophobicContact CG2-CD1 3.57Å; I293-I297 HydrophobicContact CG2-CG1 3.84Å; I293-I297 PolarHBondContact O-N 3.35Å |
| 294 | M | 86.6 | Confident | 85.1 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 34% | 0.335 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -52.9 | -48.6 | -178.1 | -176.4 | 177.9 | -77.7 | 0 | 0 | 114.1 | I290 F296 I297 L298 | I290-M294 HydrophobicContact CG2-CE 4.05Å; I290-M294 WeakPolarHBondContact O-CB 3.32Å; I290-M294 PolarHBondContact O-N 2.94Å; M294-F296 VanDerWaalsContact C-N 3.26Å; M294-F296 PolarHBondContact O-N 2.92Å; M294-I297 PolarHBondContact O-N 2.87Å; M294-L298 HydrophobicContact CG-CD1 4.01Å; M294-L298 WeakPolarHBondContact O-CB 3.49Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.11Å |
| 295 | P | 88.4 | Confident | 85.6 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 49% | 0.494 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 176.9 | 25.3 | -35.1 | 0 | 0 | 0 | 112.6 | Q291 I292 L298 A299 | Q291-P295 WeakPolarHBondContact O-CD 2.89Å; I292-P295 WeakPolarHBondContact O-CD 3.09Å; I292-P295 WeakPolarHBondContact O-CG 3.15Å; P295-L298 PolarHBondContact O-N 3.35Å; P295-A299 VanDerWaalsContact O-CB 3.3Å; P295-A299 WeakPolarHBondContact O-CB 3.35Å; P295-A299 PolarHBondContact O-N 2.85Å |
| 296 | F | 88.1 | Confident | 86 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 176.3 | -172.9 | -99.9 | 0 | 0 | 0 | 111.6 | I293 M294 L298 A299 L300 | I293-F296 WeakPolarHBondContact O-CA 2.69Å; I293-F296 WeakPolarHBondContact O-CB 3.42Å; I293-F296 PolarHBondContact O-N 3.43Å; M294-F296 VanDerWaalsContact C-N 3.26Å; M294-F296 PolarHBondContact O-N 2.92Å; F296-L298 VanDerWaalsContact C-N 3.35Å; F296-A299 PolarHBondContact O-N 2.86Å; F296-L300 HydrophobicContact CD1-CD1 3.78Å; F296-L300 HydrophobicContact CD1-CG 4.44Å; F296-L300 HydrophobicContact CE1-CD1 3.44Å; F296-L300 VanDerWaalsContact CE1-CD1 3.44Å; F296-L300 HydrophobicContact CE1-CG 4.2Å; F296-L300 HydrophobicContact CZ-CD1 4.13Å; F296-L300 WeakPolarHBondContact O-CG 3.25Å; F296-L300 PolarHBondContact O-N 3.48Å |
| 297 | I | 87.5 | Confident | 86.3 | Confident | 106 Ų | 106 | 84.8 Ų | 84.8 | 54% | 0.544 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.6 | -65.6 | 176.2 | 0 | 0 | 0 | 110.7 | I293 M294 L300 G301 | I293-I297 HydrophobicContact CG2-CD1 3.57Å; I293-I297 HydrophobicContact CG2-CG1 3.84Å; I293-I297 PolarHBondContact O-N 3.35Å; M294-I297 PolarHBondContact O-N 2.87Å; I297-L300 PolarHBondContact O-N 3.27Å; I297-G301 PolarHBondContact O-N 2.8Å |
| 298 | L | 88.4 | Confident | 86.4 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177 | -73.2 | 169.3 | 0 | 0 | 0 | 111.8 | M294 P295 F296 G301 I302 | M294-L298 HydrophobicContact CG-CD1 4.01Å; M294-L298 WeakPolarHBondContact O-CB 3.49Å; M294-L298 WeakPolarHBondContact O-CG 3.45Å; M294-L298 PolarHBondContact O-N 3.11Å; P295-L298 PolarHBondContact O-N 3.35Å; F296-L298 VanDerWaalsContact C-N 3.35Å; L298-G301 PolarHBondContact O-N 2.61Å; L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.43Å; L298-I302 PolarHBondContact O-N 2.85Å |
| 299 | A | 89.2 | Confident | 86.4 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | P295 F296 G301 I302 F303 | P295-A299 VanDerWaalsContact O-CB 3.3Å; P295-A299 WeakPolarHBondContact O-CB 3.35Å; P295-A299 PolarHBondContact O-N 2.85Å; F296-A299 PolarHBondContact O-N 2.86Å; A299-G301 VanDerWaalsContact C-N 3.34Å; A299-G301 PolarHBondContact O-N 2.97Å; A299-I302 PolarHBondContact O-N 3.49Å; A299-F303 WeakPolarHBondContact O-CB 3.45Å; A299-F303 PolarHBondContact O-N 3.27Å |
| 300 | L | 90.4 | Very high | 86.2 | Confident | 94 Ų | 94 | 86.1 Ų | 86.1 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 173.4 | -75.1 | 173 | 0 | 0 | 0 | 111.9 | F296 I297 F303 F304 | F296-L300 HydrophobicContact CD1-CD1 3.78Å; F296-L300 HydrophobicContact CD1-CG 4.44Å; F296-L300 HydrophobicContact CE1-CD1 3.44Å; F296-L300 VanDerWaalsContact CE1-CD1 3.44Å; F296-L300 HydrophobicContact CE1-CG 4.2Å; F296-L300 HydrophobicContact CZ-CD1 4.13Å; F296-L300 WeakPolarHBondContact O-CG 3.25Å; F296-L300 PolarHBondContact O-N 3.48Å; I297-L300 PolarHBondContact O-N 3.27Å; L300-F303 PolarHBondContact O-N 2.85Å; L300-F304 WeakPolarHBondContact O-CB 3.31Å; L300-F304 PolarHBondContact O-N 2.94Å |
| 301 | G | 89.4 | Confident | 86.1 | Confident | 36 Ų | 36 | 90 Ų | 90 | 37% | 0.371 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I297 L298 A299 F304 M305 | I297-G301 PolarHBondContact O-N 2.8Å; L298-G301 PolarHBondContact O-N 2.61Å; A299-G301 VanDerWaalsContact C-N 3.34Å; A299-G301 PolarHBondContact O-N 2.97Å; G301-F304 PolarHBondContact O-N 3.29Å; G301-M305 VanDerWaalsContact O-CG 3.31Å; G301-M305 WeakPolarHBondContact O-CG 3.26Å; G301-M305 PolarHBondContact O-N 3.46Å |
| 302 | I | 88.3 | Confident | 86 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.2 | -67.4 | 164.6 | 0 | 0 | 0 | 110.6 | L298 A299 F304 M305 I306 | L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.43Å; L298-I302 PolarHBondContact O-N 2.85Å; A299-I302 PolarHBondContact O-N 3.49Å; I302-F304 VanDerWaalsContact C-N 3.32Å; I302-F304 PolarHBondContact O-N 3.06Å; I302-M305 WeakPolarHBondContact O-CB 3.27Å; I302-M305 PolarHBondContact O-N 3.04Å; I302-I306 HydrophobicContact CG2-CD1 3.94Å; I302-I306 HydrophobicContact CG2-CG1 4.45Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 2.77Å |
| 303 | F | 89.6 | Confident | 85.1 | Confident | 131 Ų | 131 | 88.7 Ų | 88.7 | 58% | 0.575 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 178.2 | -173.1 | -103.2 | 0 | 0 | 0 | 111.8 | A299 L300 M305 I306 I307 | A299-F303 WeakPolarHBondContact O-CB 3.45Å; A299-F303 PolarHBondContact O-N 3.27Å; L300-F303 PolarHBondContact O-N 2.85Å; F303-M305 PolarHBondContact O-N 3.39Å; F303-I306 PolarHBondContact O-N 3.2Å; F303-I307 HydrophobicContact CD1-CD1 3.78Å; F303-I307 HydrophobicContact CE1-CD1 3.35Å; F303-I307 HydrophobicContact CE1-CG1 4.33Å; F303-I307 HydrophobicContact CZ-CD1 3.9Å; F303-I307 WeakPolarHBondContact O-CG1 3.13Å; F303-I307 PolarHBondContact O-N 3.3Å |
| 304 | F | 90.3 | Very high | 83.8 | Confident | 128 Ų | 128 | 92 Ų | 92 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 175.4 | -172.9 | -108.4 | 0 | 0 | 0 | 112.3 | L300 G301 I302 I306 I307 L308 | L300-F304 WeakPolarHBondContact O-CB 3.31Å; L300-F304 PolarHBondContact O-N 2.94Å; G301-F304 PolarHBondContact O-N 3.29Å; I302-F304 VanDerWaalsContact C-N 3.32Å; I302-F304 PolarHBondContact O-N 3.06Å; F304-I306 PolarHBondContact O-N 3.31Å; F304-I307 PolarHBondContact O-N 3.02Å; F304-L308 HydrophobicContact CD1-CD1 3.57Å; F304-L308 HydrophobicContact CE1-CD1 3.15Å; F304-L308 HydrophobicContact CE1-CG 4.32Å; F304-L308 HydrophobicContact CE2-CD1 4.47Å; F304-L308 HydrophobicContact CG-CD1 4.4Å; F304-L308 HydrophobicContact CZ-CD1 3.66Å; F304-L308 HydrophobicContact CZ-CG 4.46Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 PolarHBondContact O-N 3.17Å |
| 305 | M | 84.1 | Confident | 82.7 | Confident | 52 Ų | 52 | 92.5 Ų | 92.5 | 26% | 0.256 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 175 | -73.1 | -64.3 | -70 | 0 | 0 | 112.7 | F3 F6 G301 I302 F303 L308 T309 | F3-M305 HydrophobicContact CE2-CE 4.06Å; F3-M305 HydrophobicContact CZ-CE 4.18Å; F6-M305 HydrophobicContact CE1-SD 4.33Å; G301-M305 VanDerWaalsContact O-CG 3.31Å; G301-M305 WeakPolarHBondContact O-CG 3.26Å; G301-M305 PolarHBondContact O-N 3.46Å; I302-M305 WeakPolarHBondContact O-CB 3.27Å; I302-M305 PolarHBondContact O-N 3.04Å; F303-M305 PolarHBondContact O-N 3.39Å; M305-L308 PolarHBondContact O-N 3.3Å; M305-T309 WeakPolarHBondContact O-CB 3.18Å; M305-T309 WeakPolarHBondContact O-CG2 3.38Å; M305-T309 PolarHBondContact O-N 3.33Å; M305-T309 PolarHBondContact O-OG1 3Å |
| 306 | I | 85.7 | Confident | 81.4 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 174.2 | -67.7 | 166.8 | 0 | 0 | 0 | 110.3 | I302 F303 F304 L308 T309 L310 | I302-I306 HydrophobicContact CG2-CD1 3.94Å; I302-I306 HydrophobicContact CG2-CG1 4.45Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 2.77Å; F303-I306 PolarHBondContact O-N 3.2Å; F304-I306 PolarHBondContact O-N 3.31Å; I306-L308 PolarHBondContact O-N 3.03Å; I306-T309 WeakPolarHBondContact CA-OG1 3.19Å; I306-T309 PolarHBondContact O-N 2.93Å; I306-T309 PolarHBondContact O-OG1 3.39Å; I306-L310 HydrophobicContact CG2-CD1 3.98Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CB 3.44Å; I306-L310 WeakPolarHBondContact O-CG 3.28Å; I306-L310 PolarHBondContact O-N 3.05Å |
| 307 | I | 85.8 | Confident | 80.2 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 177.4 | -69.8 | 174.5 | 0 | 0 | 0 | 111 | F303 F304 L310 Y311 | F303-I307 HydrophobicContact CD1-CD1 3.78Å; F303-I307 HydrophobicContact CE1-CD1 3.35Å; F303-I307 HydrophobicContact CE1-CG1 4.33Å; F303-I307 HydrophobicContact CZ-CD1 3.9Å; F303-I307 WeakPolarHBondContact O-CG1 3.13Å; F303-I307 PolarHBondContact O-N 3.3Å; F304-I307 PolarHBondContact O-N 3.02Å; I307-L310 PolarHBondContact O-N 3.4Å; I307-Y311 WeakPolarHBondContact O-CB 2.92Å; I307-Y311 PolarHBondContact O-N 2.87Å |
| 308 | L | 83.9 | Confident | 79 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 38% | 0.377 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 178.3 | -101.6 | 155.4 | 0 | 0 | 0 | 111.8 | F304 M305 I306 L310 Y311 T312 | F304-L308 HydrophobicContact CD1-CD1 3.57Å; F304-L308 HydrophobicContact CE1-CD1 3.15Å; F304-L308 HydrophobicContact CE1-CG 4.32Å; F304-L308 HydrophobicContact CE2-CD1 4.47Å; F304-L308 HydrophobicContact CG-CD1 4.4Å; F304-L308 HydrophobicContact CZ-CD1 3.66Å; F304-L308 HydrophobicContact CZ-CG 4.46Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 PolarHBondContact O-N 3.17Å; M305-L308 PolarHBondContact O-N 3.3Å; I306-L308 PolarHBondContact O-N 3.03Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L308-L310 PolarHBondContact O-N 3.15Å; L308-Y311 PolarHBondContact O-N 2.98Å; L308-Y311 VanDerWaalsContact O-N 3.14Å; L308-T312 HydrophobicContact CD2-CG2 4.28Å; L308-T312 WeakPolarHBondContact O-CB 3.43Å; L308-T312 WeakPolarHBondContact O-CG2 3.33Å; L308-T312 PolarHBondContact O-N 3.02Å; L308-T312 PolarHBondContact O-OG1 3.3Å |
| 309 | T | 79.6 | Confident | 77.9 | Confident | 48 Ų | 48 | 95.7 Ų | 95.7 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | M305 I306 Y311 E313 R314 | M305-T309 WeakPolarHBondContact O-CB 3.18Å; M305-T309 WeakPolarHBondContact O-CG2 3.38Å; M305-T309 PolarHBondContact O-N 3.33Å; M305-T309 PolarHBondContact O-OG1 3Å; I306-T309 WeakPolarHBondContact CA-OG1 3.19Å; I306-T309 PolarHBondContact O-N 2.93Å; I306-T309 PolarHBondContact O-OG1 3.39Å; T309-Y311 VanDerWaalsContact C-N 3.33Å; T309-Y311 PolarHBondContact O-N 3.26Å; T309-E313 WeakPolarHBondContact O-CB 3.4Å; T309-E313 PolarHBondContact O-N 3.15Å; T309-R314 PolarHBondContact O-N 3.48Å |
| 310 | L | 79 | Confident | 76.8 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -62.5 | -40.6 | 172.3 | -72.2 | 173.6 | 0 | 0 | 0 | 111.9 | I306 I307 L308 R314 Q315 | I306-L310 HydrophobicContact CG2-CD1 3.98Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CB 3.44Å; I306-L310 WeakPolarHBondContact O-CG 3.28Å; I306-L310 PolarHBondContact O-N 3.05Å; I307-L310 PolarHBondContact O-N 3.4Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L308-L310 PolarHBondContact O-N 3.15Å; L310-R314 HydrophobicContact CD2-CB 4.35Å; L310-R314 HydrophobicContact CD2-CG 4.14Å; L310-R314 WeakPolarHBondContact O-CB 3.39Å; L310-R314 PolarHBondContact O-N 3.12Å; L310-Q315 PolarHBondContact O-N 3.38Å |
| 311 | Y | 80.2 | Confident | 75.6 | Confident | 158 Ų | 158 | 94.6 Ų | 94.6 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | I | π-helix | trans | -74.8 | -41.5 | -178.9 | -161.7 | -96 | 0 | 0 | 0 | 112.8 | I307 L308 T309 | I307-Y311 WeakPolarHBondContact O-CB 2.92Å; I307-Y311 PolarHBondContact O-N 2.87Å; L308-Y311 PolarHBondContact O-N 2.98Å; L308-Y311 VanDerWaalsContact O-N 3.14Å; T309-Y311 VanDerWaalsContact C-N 3.33Å; T309-Y311 PolarHBondContact O-N 3.26Å |
| 312 | T | 78.8 | Confident | 74.8 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 48% | 0.484 | S | S | . | . | I | π-helix | trans | -84.2 | -37.6 | -175.4 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | L308 P316 | L308-T312 HydrophobicContact CD2-CG2 4.28Å; L308-T312 WeakPolarHBondContact O-CB 3.43Å; L308-T312 WeakPolarHBondContact O-CG2 3.33Å; L308-T312 PolarHBondContact O-N 3.02Å; L308-T312 PolarHBondContact O-OG1 3.3Å; T312-P316 WeakPolarHBondContact O-CG 3.36Å |
| 313 | E | 67.8 | Low | 74.2 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -103.3 | -47.3 | -176.4 | -66.5 | -164.1 | 162.6 | 0 | 0 | 113.5 | T309 K317 | T309-E313 WeakPolarHBondContact O-CB 3.4Å; T309-E313 PolarHBondContact O-N 3.15Å; E313-K317 WeakPolarHBondContact O-CB 3.34Å; E313-K317 WeakPolarHBondContact O-CD 3.49Å; E313-K317 VanDerWaalsContact O-CG 3.26Å; E313-K317 WeakPolarHBondContact O-CG 3.34Å; E313-K317 PolarHBondContact O-N 3.27Å |
| 314 | R | 59.6 | Low | 73 | Confident | 151 Ų | 151 | 96.9 Ų | 96.9 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -78.1 | -44.4 | -172.5 | -75.6 | -156 | -172.8 | 164.7 | -6.9 | 113 | T309 L310 K317 M318 | T309-R314 PolarHBondContact O-N 3.48Å; L310-R314 HydrophobicContact CD2-CB 4.35Å; L310-R314 HydrophobicContact CD2-CG 4.14Å; L310-R314 WeakPolarHBondContact O-CB 3.39Å; L310-R314 PolarHBondContact O-N 3.12Å; R314-K317 PolarHBondContact O-N 3.36Å; R314-M318 HydrophobicContact CB-CE 4.44Å; R314-M318 WeakPolarHBondContact O-CB 3.47Å; R314-M318 WeakPolarHBondContact O-CG 3.32Å; R314-M318 PolarHBondContact O-N 2.9Å |
| 315 | Q | 62.3 | Low | 71.4 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 36% | 0.36 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.7 | -50.2 | 179.8 | -94.6 | -134.3 | 1.2 | 0 | 0 | 113.8 | L310 R319 | L310-Q315 PolarHBondContact O-N 3.38Å; Q315-R319 VanDerWaalsContact O-CB 3.31Å; Q315-R319 WeakPolarHBondContact O-CB 3.43Å; Q315-R319 VanDerWaalsContact O-CG 3.31Å; Q315-R319 WeakPolarHBondContact O-CG 3.15Å; Q315-R319 PolarHBondContact O-N 3.03Å |
| 316 | P | 61.4 | Low | 70 | Confident | 57 Ų | 57 | 99.6 Ų | 99.6 | 37% | 0.37 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 179.3 | 23.4 | -30.8 | 0 | 0 | 0 | 112.1 | T312 R319 L320 | T312-P316 WeakPolarHBondContact O-CG 3.36Å; P316-R319 PolarHBondContact O-N 3.16Å; P316-L320 WeakPolarHBondContact O-CB 3.44Å; P316-L320 WeakPolarHBondContact O-CD1 3.02Å; P316-L320 VanDerWaalsContact O-CG 3.26Å; P316-L320 WeakPolarHBondContact O-CG 3.36Å; P316-L320 PolarHBondContact O-N 3.09Å |
| 317 | K | 63.9 | Low | 68.7 | Low | 139 Ų | 139 | 101.9 Ų | 101.9 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 176.4 | -73.1 | 179 | -179 | 175.3 | 0 | 112.3 | E313 R314 L320 A321 | E313-K317 WeakPolarHBondContact O-CB 3.34Å; E313-K317 WeakPolarHBondContact O-CD 3.49Å; E313-K317 VanDerWaalsContact O-CG 3.26Å; E313-K317 WeakPolarHBondContact O-CG 3.34Å; E313-K317 PolarHBondContact O-N 3.27Å; R314-K317 PolarHBondContact O-N 3.36Å; K317-L320 PolarHBondContact O-N 3.12Å; K317-A321 WeakPolarHBondContact O-CB 3.24Å; K317-A321 PolarHBondContact O-N 3.32Å |
| 318 | M | 61.7 | Low | 66.8 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 174.7 | -71.1 | -159.5 | -163.8 | 0 | 0 | 112.1 | R314 L320 A321 A322 | R314-M318 HydrophobicContact CB-CE 4.44Å; R314-M318 WeakPolarHBondContact O-CB 3.47Å; R314-M318 WeakPolarHBondContact O-CG 3.32Å; R314-M318 PolarHBondContact O-N 2.9Å; M318-L320 VanDerWaalsContact C-N 3.33Å; M318-A321 PolarHBondContact O-N 3.35Å; M318-A322 VanDerWaalsContact O-CB 3.23Å; M318-A322 WeakPolarHBondContact O-CB 3.4Å; M318-A322 PolarHBondContact O-N 3Å |
| 319 | R | 65.9 | Low | 65.9 | Low | 158 Ų | 158 | 112.6 Ų | 112.6 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -37 | 173.8 | -79.4 | 178.9 | 177 | 176.3 | 1.2 | 112.1 | Q315 P316 K323 | Q315-R319 VanDerWaalsContact O-CB 3.31Å; Q315-R319 WeakPolarHBondContact O-CB 3.43Å; Q315-R319 VanDerWaalsContact O-CG 3.31Å; Q315-R319 WeakPolarHBondContact O-CG 3.15Å; Q315-R319 PolarHBondContact O-N 3.03Å; P316-R319 PolarHBondContact O-N 3.16Å; R319-K323 WeakPolarHBondContact O-CB 3.46Å; R319-K323 VanDerWaalsContact O-CG 3.23Å; R319-K323 WeakPolarHBondContact O-CG 3.39Å; R319-K323 PolarHBondContact O-N 3.03Å |
| 320 | L | 64.9 | Low | 65.2 | Low | 59 Ų | 59 | 116 Ų | 116 | 31% | 0.309 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.6 | -44.4 | 175.2 | -75.6 | 161.7 | 0 | 0 | 0 | 111.3 | P316 K317 M318 A322 K323 G324 L325 I327 | P316-L320 WeakPolarHBondContact O-CB 3.44Å; P316-L320 WeakPolarHBondContact O-CD1 3.02Å; P316-L320 VanDerWaalsContact O-CG 3.26Å; P316-L320 WeakPolarHBondContact O-CG 3.36Å; P316-L320 PolarHBondContact O-N 3.09Å; K317-L320 PolarHBondContact O-N 3.12Å; M318-L320 VanDerWaalsContact C-N 3.33Å; L320-A322 PolarHBondContact O-N 3.25Å; L320-K323 CarbonylContact O-C 3.52Å; L320-K323 WeakPolarHBondContact O-CA 3.48Å; L320-K323 PolarHBondContact O-N 3.27Å; L320-K323 VanDerWaalsContact O-N 3.13Å; L320-G324 PolarHBondContact O-N 3.49Å; L320-L325 CarbonylContact C-O 3.59Å; L320-L325 HydrophobicContact CD2-CB 4.18Å; L320-L325 HydrophobicContact CD2-CD1 4.31Å; L320-L325 PolarHBondContact O-N 3.41Å; L320-I327 HydrophobicContact CD1-CD1 3.8Å |
| 321 | A | 66.4 | Low | 64.5 | Low | 68 Ų | 68 | 118.6 Ų | 118.6 | 56% | 0.562 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.8 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K317 M318 K323 G324 | K317-A321 WeakPolarHBondContact O-CB 3.24Å; K317-A321 PolarHBondContact O-N 3.32Å; M318-A321 PolarHBondContact O-N 3.35Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.96Å; A321-G324 PolarHBondContact O-N 3.17Å |
| 322 | A | 71.4 | Confident | 63.5 | Low | 91 Ų | 91 | 116.3 Ų | 116.3 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.1 | -27.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M318 L320 G324 | M318-A322 VanDerWaalsContact O-CB 3.23Å; M318-A322 WeakPolarHBondContact O-CB 3.4Å; M318-A322 PolarHBondContact O-N 3Å; L320-A322 PolarHBondContact O-N 3.25Å; A322-G324 PolarHBondContact O-N 3.1Å |
| 323 | K | 76.7 | Confident | 62.6 | Low | 166 Ų | 166 | 118.6 Ų | 118.6 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 4.6 | 170.9 | -73.4 | 178.7 | 178.3 | -170.4 | 0 | 113.4 | R319 L320 A321 L325 | R319-K323 WeakPolarHBondContact O-CB 3.46Å; R319-K323 VanDerWaalsContact O-CG 3.23Å; R319-K323 WeakPolarHBondContact O-CG 3.39Å; R319-K323 PolarHBondContact O-N 3.03Å; L320-K323 CarbonylContact O-C 3.52Å; L320-K323 WeakPolarHBondContact O-CA 3.48Å; L320-K323 PolarHBondContact O-N 3.27Å; L320-K323 VanDerWaalsContact O-N 3.13Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.96Å; K323-L325 HydrophobicContact CB-CD1 4.5Å; K323-L325 PolarHBondContact O-N 2.73Å |
| 324 | G | 63.1 | Low | 62.2 | Low | 62 Ų | 62 | 119.1 Ų | 119.1 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.8 | 10.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L320 A321 A322 V326 | L320-G324 PolarHBondContact O-N 3.49Å; A321-G324 PolarHBondContact O-N 3.17Å; A322-G324 PolarHBondContact O-N 3.1Å; G324-V326 PolarHBondContact O-N 2.84Å |
| 325 | L | 57.4 | Low | 62.4 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | trans | -92.7 | 95.3 | 177.1 | -81.7 | 152.7 | 0 | 0 | 0 | 109.2 | L320 K323 I327 | L320-L325 CarbonylContact C-O 3.59Å; L320-L325 HydrophobicContact CD2-CB 4.18Å; L320-L325 HydrophobicContact CD2-CD1 4.31Å; L320-L325 PolarHBondContact O-N 3.41Å; K323-L325 HydrophobicContact CB-CD1 4.5Å; K323-L325 PolarHBondContact O-N 2.73Å; L325-I327 PolarHBondContact O-N 3.2Å | ||
| 326 | V | 54.2 | Low | 62.4 | Low | 132 Ų | 132 | 119.9 Ų | 119.9 | 80% | 0.8 | 64% | 0.642 | S | S | * | * | trans | -81.8 | 107.6 | 168.7 | -172.8 | 0 | 0 | 0 | 0 | 107.5 | G324 K328 | G324-V326 PolarHBondContact O-N 2.84Å; V326-K328 PolarHBondContact O-N 3.48Å | ||
| 327 | I | 58.5 | Low | 62.5 | Low | 135 Ų | 135 | 125.2 Ų | 125.2 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | trans | -75.7 | 120.3 | 169.2 | -55.6 | 176.4 | 0 | 0 | 0 | 106.7 | L320 L325 | L320-I327 HydrophobicContact CD1-CD1 3.8Å; L325-I327 PolarHBondContact O-N 3.2Å | ||
| 328 | K | 46.3 | Very low | 62.4 | Low | 267 Ų | 267 | 123.9 Ų | 123.9 | 100% | 1.161 | 67% | 0.67 | S | S | * | * | trans | -74.4 | 0 | 177.5 | -134.3 | -178.9 | -172.5 | -178.8 | 0 | 111.6 | V326 | V326-K328 PolarHBondContact O-N 3.48Š|
Retrieved 328 of 328 residues in 277.5 ms
(Link to these results)